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 3phf_1_1 DATA FIRST_RESID 20 DATA SEQUENCE LSEVKLHLDI EGHASHYTIP WTELMAKVPG LSPEALWREA NVTEDLASML DATA SEQUENCE NRYKLIYKTS GTLGIALAEP VDIPAVSEGS MQVDASKVHP GVISGLNSPA DATA SEQUENCE cMLSAPLEKQ LFYYIGTMLP NTRPHSYVFY QLRCHLSYVA LSINGDKFQY DATA SEQUENCE TGAMTSKFLM GTYKRVTEKG DEHVLSLVFG KTKDLPDLRG PFSYPSLTSA DATA SEQUENCE QSGDYSLVIV TTFVHYANFH NYFVPNLKDM FSRAVTMTAA SYARYVLQKL DATA SEQUENCE VLLEMKGGcR EPELDTETLT TMFEVSVAFF KVGHAVGETG NGcVDLRWLA DATA SEQUENCE KSFFELTVLK DIIGIcYGAT VKGMQSYGLE RLAAMLMATV KMEELGHLTT DATA SEQUENCE EKQEYALRLA TVGYPKAGVY SGLIGGATSV LLSAYNRHPL FQPLHTVMRE DATA SEQUENCE TLFIGSHVVL RELRLNVTTQ GPNLALYQLL STALcSALEI GEVLRGLALG DATA SEQUENCE TESGLFSPcY LSLRFDLTRD KLLSMAPQEA TLDQAAVSNA VDGFLGRLSL DATA SEQUENCE EREDRDAWHL PAYKcVDRLD KVLMIIPLIN VTFIISSDRE VRGSALYEAS DATA SEQUENCE TTYLSSSLFL SPVIMNKcSQ GAVAGEPRQI PKIQNFTRTQ KSCIFCGFAL DATA SEQUENCE LSYDEKEGLE TTTYITSQEV QNSILSSNYF DFDNLHVHYL LLTTNGTVME DATA SEQUENCE IAG 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 20 L HA 0.000 nan 4.340 nan 0.000 0.249 20 L C 0.000 176.580 176.870 -0.483 0.000 1.165 20 L CA 0.000 54.798 54.840 -0.070 0.000 0.813 20 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 21 S N 0.188 115.179 115.700 -1.182 0.000 1.552 21 S HA -0.285 4.185 4.470 0.000 0.000 0.237 21 S C 0.188 174.034 174.600 -1.257 0.000 0.756 21 S CA 1.634 59.132 58.200 -1.170 0.000 1.349 21 S CB -0.753 62.135 63.200 -0.519 0.000 1.675 21 S HN 0.826 nan 8.310 nan 0.000 0.517 22 E N 0.710 120.484 120.200 -0.710 0.000 2.221 22 E HA 0.667 5.017 4.350 0.000 0.000 0.268 22 E C -1.587 174.916 176.600 -0.163 0.000 0.933 22 E CA -0.594 55.555 56.400 -0.419 0.000 0.809 22 E CB 1.985 31.550 29.700 -0.223 0.000 1.190 22 E HN 0.192 nan 8.360 nan 0.000 0.406 23 V N 3.548 123.452 119.914 -0.018 0.000 2.737 23 V HA 0.213 4.333 4.120 0.000 0.000 0.298 23 V C -1.061 175.049 176.094 0.028 0.000 1.163 23 V CA -0.946 61.406 62.300 0.087 0.000 0.925 23 V CB 1.952 33.928 31.823 0.256 0.000 1.037 23 V HN 0.639 nan 8.190 nan 0.000 0.433 24 K N 3.922 124.309 120.400 -0.021 0.000 2.172 24 K HA 0.698 5.018 4.320 0.000 0.000 0.276 24 K C -0.967 175.478 176.600 -0.260 0.000 1.013 24 K CA -0.675 55.534 56.287 -0.131 0.000 0.913 24 K CB 2.228 34.652 32.500 -0.127 0.000 1.055 24 K HN 0.427 nan 8.250 nan 0.000 0.461 25 L N 3.500 124.533 121.223 -0.317 0.000 2.313 25 L HA 0.292 4.632 4.340 0.000 0.000 0.283 25 L C -1.050 175.548 176.870 -0.453 0.000 1.013 25 L CA -0.322 54.364 54.840 -0.256 0.000 0.816 25 L CB 0.907 42.947 42.059 -0.032 0.000 1.236 25 L HN 0.599 nan 8.230 nan 0.000 0.419 26 H N 6.383 125.427 119.070 -0.043 0.000 2.539 26 H HA 0.440 4.996 4.556 0.000 0.000 0.332 26 H C -0.958 174.354 175.328 -0.026 0.000 1.031 26 H CA -0.530 55.431 56.048 -0.145 0.000 1.206 26 H CB 1.645 31.268 29.762 -0.230 0.000 1.446 26 H HN 0.482 nan 8.280 nan 0.000 0.496 27 L N 2.212 123.508 121.223 0.121 0.000 2.325 27 L HA 0.167 4.507 4.340 0.000 0.000 0.278 27 L C 0.541 177.480 176.870 0.116 0.000 1.023 27 L CA -0.600 54.318 54.840 0.129 0.000 0.811 27 L CB 1.370 43.536 42.059 0.179 0.000 1.249 27 L HN 0.529 nan 8.230 nan 0.000 0.431 28 D N 3.295 123.750 120.400 0.091 0.000 2.970 28 D HA 0.298 4.939 4.640 0.000 0.000 0.282 28 D C 0.209 176.556 176.300 0.078 0.000 1.291 28 D CA -0.373 53.675 54.000 0.079 0.000 0.967 28 D CB -0.012 40.821 40.800 0.054 0.000 1.017 28 D HN 0.218 nan 8.370 nan 0.000 0.512 29 I N 0.441 121.071 120.570 0.100 0.000 3.045 29 I HA -0.045 4.125 4.170 0.000 0.000 0.288 29 I C 1.245 177.415 176.117 0.088 0.000 1.238 29 I CA 0.007 61.363 61.300 0.093 0.000 1.396 29 I CB 0.465 38.533 38.000 0.113 0.000 1.355 29 I HN 0.244 nan 8.210 nan 0.000 0.601 30 E N 3.995 124.239 120.200 0.073 0.000 2.562 30 E HA 0.087 4.437 4.350 0.000 0.000 0.241 30 E C 0.760 177.416 176.600 0.094 0.000 1.136 30 E CA 0.841 57.280 56.400 0.066 0.000 0.952 30 E CB -0.272 29.460 29.700 0.053 0.000 0.975 30 E HN 0.837 nan 8.360 nan 0.000 0.494 31 G N 4.655 113.497 108.800 0.069 0.000 4.013 31 G HA2 -0.255 3.705 3.960 0.000 0.000 0.255 31 G HA3 -0.255 3.705 3.960 0.000 0.000 0.255 31 G C -0.473 174.429 174.900 0.003 0.000 1.765 31 G CA -0.041 45.085 45.100 0.042 0.000 1.396 31 G HN 0.694 nan 8.290 nan 0.000 0.605 32 H N 1.885 120.977 119.070 0.036 0.000 2.652 32 H HA 0.648 5.204 4.556 0.000 0.000 0.349 32 H C 0.781 176.149 175.328 0.067 0.000 1.099 32 H CA 0.656 56.729 56.048 0.042 0.000 1.417 32 H CB 1.389 31.172 29.762 0.034 0.000 1.457 32 H HN 0.811 nan 8.280 nan 0.000 0.568 33 A N 2.944 125.871 122.820 0.178 0.000 2.269 33 A HA 0.419 4.739 4.320 0.000 0.000 0.302 33 A C -0.095 177.655 177.584 0.276 0.000 1.266 33 A CA -0.612 51.550 52.037 0.208 0.000 0.894 33 A CB 0.206 19.344 19.000 0.230 0.000 1.147 33 A HN 0.653 nan 8.150 nan 0.000 0.537 34 S N 1.244 117.085 115.700 0.235 0.000 2.585 34 S HA 0.526 4.996 4.470 0.000 0.000 0.277 34 S C -0.759 173.937 174.600 0.160 0.000 1.241 34 S CA -0.260 58.025 58.200 0.142 0.000 1.041 34 S CB 0.451 63.728 63.200 0.128 0.000 0.987 34 S HN 0.715 nan 8.310 nan 0.000 0.512 35 H N 1.178 120.052 119.070 -0.328 0.000 2.860 35 H HA 0.435 4.991 4.556 0.000 0.000 0.312 35 H C -1.497 173.561 175.328 -0.450 0.000 0.995 35 H CA -0.305 55.604 56.048 -0.232 0.000 1.311 35 H CB 0.304 30.027 29.762 -0.066 0.000 1.478 35 H HN 0.485 nan 8.280 nan 0.000 0.508 36 Y N 0.940 121.229 120.300 -0.018 0.000 2.409 36 Y HA 0.434 4.984 4.550 0.000 0.000 0.343 36 Y C 0.276 176.129 175.900 -0.078 0.000 0.973 36 Y CA -1.034 57.051 58.100 -0.025 0.000 1.064 36 Y CB 1.964 40.412 38.460 -0.021 0.000 1.207 36 Y HN 0.496 nan 8.280 nan 0.000 0.452 37 T N 1.295 115.912 114.554 0.106 0.000 2.791 37 T HA 0.661 5.011 4.350 0.000 0.000 0.288 37 T C -0.625 174.110 174.700 0.057 0.000 0.999 37 T CA -0.590 61.533 62.100 0.038 0.000 0.952 37 T CB 0.170 69.048 68.868 0.017 0.000 0.938 37 T HN 0.499 nan 8.240 nan 0.000 0.444 38 I N 5.261 125.867 120.570 0.060 0.000 2.310 38 I HA 0.297 4.468 4.170 0.000 0.000 0.287 38 I C -2.409 173.761 176.117 0.088 0.000 1.073 38 I CA -2.506 58.847 61.300 0.089 0.000 1.216 38 I CB 1.384 39.457 38.000 0.122 0.000 1.415 38 I HN 0.383 nan 8.210 nan 0.000 0.480 39 P HA 0.046 nan 4.420 nan 0.000 0.256 39 P C 0.645 177.894 177.300 -0.085 0.000 1.689 39 P CA -0.430 62.590 63.100 -0.132 0.000 1.124 39 P CB -0.066 31.567 31.700 -0.113 0.000 1.766 40 W N 1.620 122.899 121.300 -0.035 0.000 2.721 40 W HA -0.064 4.596 4.660 0.000 0.000 0.245 40 W C 1.003 177.506 176.519 -0.026 0.000 1.276 40 W CA 0.720 58.046 57.345 -0.032 0.000 1.342 40 W CB -2.047 27.388 29.460 -0.043 0.000 1.135 40 W HN 0.177 nan 8.180 nan 0.000 0.654 41 T N 1.116 115.482 114.554 -0.313 0.000 2.777 41 T HA -0.262 4.088 4.350 0.000 0.000 0.266 41 T C 1.759 176.406 174.700 -0.089 0.000 1.040 41 T CA 2.210 64.152 62.100 -0.263 0.000 1.141 41 T CB -0.189 68.447 68.868 -0.386 0.000 0.868 41 T HN 0.305 nan 8.240 nan 0.000 0.444 42 E N -0.269 119.885 120.200 -0.076 0.000 2.158 42 E HA -0.020 4.330 4.350 0.000 0.000 0.191 42 E C 2.346 178.951 176.600 0.010 0.000 0.982 42 E CA 0.507 56.888 56.400 -0.031 0.000 0.823 42 E CB -0.176 29.504 29.700 -0.033 0.000 0.766 42 E HN 0.536 nan 8.360 nan 0.000 0.468 43 L N 0.390 121.636 121.223 0.039 0.000 2.046 43 L HA -0.176 4.164 4.340 0.000 0.000 0.208 43 L C 2.750 179.662 176.870 0.070 0.000 1.077 43 L CA 1.117 55.995 54.840 0.064 0.000 0.747 43 L CB -0.325 41.795 42.059 0.101 0.000 0.896 43 L HN 0.281 nan 8.230 nan 0.000 0.432 44 M N -0.859 118.798 119.600 0.095 0.000 2.346 44 M HA -0.209 4.272 4.480 0.000 0.000 0.263 44 M C 2.330 178.664 176.300 0.057 0.000 1.064 44 M CA 1.638 56.993 55.300 0.091 0.000 1.083 44 M CB -0.479 32.197 32.600 0.127 0.000 1.399 44 M HN 0.348 nan 8.290 nan 0.000 0.435 45 A N 0.305 123.149 122.820 0.039 0.000 1.874 45 A HA -0.085 4.236 4.320 0.000 0.000 0.214 45 A C 2.060 179.660 177.584 0.025 0.000 1.189 45 A CA 1.199 53.252 52.037 0.026 0.000 0.615 45 A CB -0.285 18.723 19.000 0.013 0.000 0.830 45 A HN 0.363 nan 8.150 nan 0.000 0.443 46 K N -0.707 119.708 120.400 0.025 0.000 2.486 46 K HA 0.160 4.480 4.320 0.000 0.000 0.194 46 K C -0.604 176.012 176.600 0.027 0.000 1.033 46 K CA 0.205 56.506 56.287 0.023 0.000 1.004 46 K CB 0.175 32.687 32.500 0.020 0.000 0.798 46 K HN 0.320 nan 8.250 nan 0.000 0.495 47 V N 1.580 121.514 119.914 0.034 0.000 2.680 47 V HA 0.146 4.266 4.120 0.000 0.000 0.309 47 V C -1.676 174.442 176.094 0.039 0.000 1.052 47 V CA -1.416 60.906 62.300 0.036 0.000 0.908 47 V CB 1.787 33.633 31.823 0.038 0.000 1.001 47 V HN -0.016 nan 8.190 nan 0.000 0.431 48 P HA 0.074 nan 4.420 nan 0.000 0.210 48 P C 1.348 178.670 177.300 0.036 0.000 1.173 48 P CA 1.208 64.331 63.100 0.038 0.000 0.898 48 P CB 0.411 32.136 31.700 0.041 0.000 0.758 49 G N 0.249 109.069 108.800 0.034 0.000 2.776 49 G HA2 -0.030 3.930 3.960 0.000 0.000 0.209 49 G HA3 -0.030 3.930 3.960 0.000 0.000 0.209 49 G C 0.756 175.671 174.900 0.026 0.000 1.145 49 G CA -0.258 44.859 45.100 0.028 0.000 0.791 49 G HN 0.223 nan 8.290 nan 0.000 0.530 50 L N 2.842 124.083 121.223 0.029 0.000 2.433 50 L HA 0.259 4.600 4.340 0.000 0.000 0.284 50 L C 0.087 176.974 176.870 0.028 0.000 1.120 50 L CA -0.427 54.427 54.840 0.024 0.000 0.879 50 L CB 0.488 42.568 42.059 0.034 0.000 1.232 50 L HN 0.133 nan 8.230 nan 0.000 0.454 51 S N 4.258 119.965 115.700 0.012 0.000 2.328 51 S HA 0.341 4.811 4.470 0.000 0.000 0.204 51 S C -1.437 173.145 174.600 -0.031 0.000 1.475 51 S CA -1.188 57.018 58.200 0.010 0.000 1.148 51 S CB 0.832 64.044 63.200 0.020 0.000 1.077 51 S HN 0.490 nan 8.310 nan 0.000 0.479 52 P HA -0.216 nan 4.420 nan 0.000 0.216 52 P C 1.290 178.483 177.300 -0.178 0.000 1.154 52 P CA 1.330 64.308 63.100 -0.203 0.000 0.865 52 P CB 0.230 31.668 31.700 -0.438 0.000 0.789 53 E N -0.035 120.066 120.200 -0.165 0.000 2.097 53 E HA -0.175 4.175 4.350 0.000 0.000 0.196 53 E C 2.178 178.803 176.600 0.041 0.000 1.000 53 E CA 1.676 58.030 56.400 -0.077 0.000 0.804 53 E CB -0.806 28.873 29.700 -0.034 0.000 0.740 53 E HN 0.258 nan 8.360 nan 0.000 0.454 54 A N 0.777 123.619 122.820 0.035 0.000 1.854 54 A HA -0.098 4.222 4.320 0.000 0.000 0.214 54 A C 2.457 180.098 177.584 0.094 0.000 1.192 54 A CA 1.054 53.131 52.037 0.065 0.000 0.611 54 A CB -0.785 18.247 19.000 0.053 0.000 0.832 54 A HN 0.212 nan 8.150 nan 0.000 0.442 55 L N -1.392 119.871 121.223 0.067 0.000 2.079 55 L HA -0.235 4.105 4.340 0.000 0.000 0.210 55 L C 2.626 179.580 176.870 0.141 0.000 1.081 55 L CA 1.566 56.446 54.840 0.067 0.000 0.752 55 L CB -0.506 41.486 42.059 -0.111 0.000 0.896 55 L HN 0.800 nan 8.230 nan 0.000 0.433 56 W N 1.275 122.537 121.300 -0.063 0.000 2.374 56 W HA -0.237 4.423 4.660 0.000 0.000 0.288 56 W C 2.530 179.056 176.519 0.011 0.000 1.218 56 W CA 1.417 58.731 57.345 -0.052 0.000 1.245 56 W CB 0.004 29.381 29.460 -0.138 0.000 1.126 56 W HN 0.109 nan 8.180 nan 0.000 0.545 57 R N 1.014 121.560 120.500 0.077 0.000 2.100 57 R HA -0.061 4.279 4.340 0.000 0.000 0.220 57 R C 2.150 178.443 176.300 -0.012 0.000 1.091 57 R CA 1.763 57.863 56.100 -0.001 0.000 0.986 57 R CB -0.828 29.519 30.300 0.078 0.000 0.888 57 R HN 0.150 nan 8.270 nan 0.000 0.444 58 E N 0.359 120.601 120.200 0.071 0.000 2.070 58 E HA -0.142 4.208 4.350 0.000 0.000 0.197 58 E C 0.066 176.677 176.600 0.018 0.000 1.004 58 E CA 1.271 57.727 56.400 0.093 0.000 0.805 58 E CB -0.253 29.592 29.700 0.241 0.000 0.744 58 E HN 0.338 nan 8.360 nan 0.000 0.451 59 A N 2.293 125.137 122.820 0.041 0.000 2.376 59 A HA 0.068 4.389 4.320 0.000 0.000 0.298 59 A C -0.049 177.411 177.584 -0.207 0.000 1.271 59 A CA -0.343 51.646 52.037 -0.079 0.000 0.926 59 A CB -0.038 18.988 19.000 0.043 0.000 1.141 59 A HN 0.051 nan 8.150 nan 0.000 0.539 60 N N 2.812 121.416 118.700 -0.160 0.000 2.349 60 N HA -0.028 4.712 4.740 0.000 0.000 0.296 60 N C 1.595 176.968 175.510 -0.228 0.000 1.304 60 N CA 0.405 53.355 53.050 -0.168 0.000 1.051 60 N CB 0.406 38.830 38.487 -0.105 0.000 1.466 60 N HN 0.574 nan 8.380 nan 0.000 0.487 61 V N 0.810 120.503 119.914 -0.369 0.000 2.469 61 V HA -0.195 3.926 4.120 0.000 0.000 0.251 61 V C 1.699 177.674 176.094 -0.199 0.000 1.064 61 V CA 1.959 64.014 62.300 -0.409 0.000 1.066 61 V CB -1.189 30.193 31.823 -0.735 0.000 0.667 61 V HN 0.542 nan 8.190 nan 0.000 0.461 62 T N -0.820 113.650 114.554 -0.139 0.000 3.144 62 T HA 0.132 4.482 4.350 0.000 0.000 0.249 62 T C 0.740 175.399 174.700 -0.069 0.000 1.089 62 T CA 0.184 62.242 62.100 -0.070 0.000 0.989 62 T CB -0.457 68.391 68.868 -0.035 0.000 0.992 62 T HN 0.687 nan 8.240 nan 0.000 0.540 63 E N 3.644 123.788 120.200 -0.093 0.000 2.351 63 E HA -0.015 4.335 4.350 0.000 0.000 0.241 63 E C -0.447 176.108 176.600 -0.075 0.000 1.243 63 E CA -0.479 55.870 56.400 -0.085 0.000 0.963 63 E CB -0.514 29.122 29.700 -0.105 0.000 1.042 63 E HN 0.603 nan 8.360 nan 0.000 0.468 64 D N 2.917 123.282 120.400 -0.057 0.000 2.648 64 D HA -0.190 4.450 4.640 0.000 0.000 0.229 64 D C 1.317 177.580 176.300 -0.062 0.000 1.119 64 D CA -0.084 53.885 54.000 -0.050 0.000 0.850 64 D CB 0.693 41.470 40.800 -0.038 0.000 1.169 64 D HN 0.460 nan 8.370 nan 0.000 0.489 65 L N 2.067 123.254 121.223 -0.060 0.000 2.095 65 L HA -0.419 3.921 4.340 0.000 0.000 0.229 65 L C 2.512 179.338 176.870 -0.074 0.000 1.097 65 L CA 2.294 57.092 54.840 -0.069 0.000 0.813 65 L CB -0.700 41.324 42.059 -0.057 0.000 0.907 65 L HN 0.812 nan 8.230 nan 0.000 0.445 66 A N -0.621 122.163 122.820 -0.060 0.000 1.841 66 A HA -0.291 4.029 4.320 0.000 0.000 0.216 66 A C 2.433 179.979 177.584 -0.064 0.000 1.199 66 A CA 2.511 54.514 52.037 -0.056 0.000 0.621 66 A CB -1.084 17.891 19.000 -0.042 0.000 0.835 66 A HN 0.597 nan 8.150 nan 0.000 0.445 67 S N -0.564 115.098 115.700 -0.064 0.000 2.419 67 S HA -0.248 4.222 4.470 0.000 0.000 0.235 67 S C 2.051 176.591 174.600 -0.099 0.000 1.019 67 S CA 1.827 59.983 58.200 -0.072 0.000 0.982 67 S CB -0.682 62.479 63.200 -0.066 0.000 0.789 67 S HN 0.574 nan 8.310 nan 0.000 0.490 68 M N 1.116 120.649 119.600 -0.111 0.000 2.065 68 M HA -0.102 4.378 4.480 0.000 0.000 0.259 68 M C 1.999 178.211 176.300 -0.147 0.000 1.069 68 M CA 1.909 57.122 55.300 -0.146 0.000 1.110 68 M CB -0.507 31.997 32.600 -0.160 0.000 1.328 68 M HN 0.434 nan 8.290 nan 0.000 0.405 69 L N 0.944 122.094 121.223 -0.121 0.000 2.137 69 L HA -0.311 4.029 4.340 0.000 0.000 0.213 69 L C 2.096 178.969 176.870 0.006 0.000 1.085 69 L CA 1.368 56.163 54.840 -0.074 0.000 0.760 69 L CB -1.321 40.702 42.059 -0.060 0.000 0.893 69 L HN 0.468 nan 8.230 nan 0.000 0.434 70 N N 0.287 118.965 118.700 -0.037 0.000 2.142 70 N HA -0.184 4.556 4.740 0.000 0.000 0.186 70 N C 1.762 177.239 175.510 -0.056 0.000 1.023 70 N CA 0.942 53.974 53.050 -0.029 0.000 0.852 70 N CB -0.441 38.013 38.487 -0.055 0.000 0.998 70 N HN 0.325 nan 8.380 nan 0.000 0.424 71 R N -0.335 120.078 120.500 -0.144 0.000 2.369 71 R HA -0.113 4.227 4.340 0.000 0.000 0.200 71 R C 0.823 177.149 176.300 0.042 0.000 1.046 71 R CA 0.546 56.501 56.100 -0.242 0.000 1.057 71 R CB -0.073 30.005 30.300 -0.369 0.000 0.888 71 R HN 0.400 nan 8.270 nan 0.000 0.474 72 Y N -0.729 119.512 120.300 -0.097 0.000 2.550 72 Y HA 0.140 4.690 4.550 0.000 0.000 0.275 72 Y C 1.314 177.255 175.900 0.068 0.000 1.148 72 Y CA -0.003 58.054 58.100 -0.071 0.000 1.200 72 Y CB 0.293 38.477 38.460 -0.460 0.000 1.299 72 Y HN -0.043 nan 8.280 nan 0.000 0.509 73 K N 0.153 120.565 120.400 0.021 0.000 2.365 73 K HA 0.057 4.377 4.320 0.000 0.000 0.197 73 K C 0.679 177.379 176.600 0.166 0.000 1.042 73 K CA 0.957 57.260 56.287 0.026 0.000 0.987 73 K CB 0.043 32.608 32.500 0.108 0.000 0.779 73 K HN 0.290 nan 8.250 nan 0.000 0.484 74 L N 2.233 123.529 121.223 0.122 0.000 3.036 74 L HA 0.355 4.696 4.340 0.000 0.000 0.237 74 L C -1.126 175.807 176.870 0.105 0.000 1.319 74 L CA -0.275 54.675 54.840 0.183 0.000 1.112 74 L CB 0.199 42.324 42.059 0.110 0.000 1.480 74 L HN 0.141 nan 8.230 nan 0.000 0.506 75 I N 0.912 121.452 120.570 -0.049 0.000 2.540 75 I HA 0.085 4.255 4.170 0.000 0.000 0.280 75 I C -0.704 174.986 176.117 -0.711 0.000 1.083 75 I CA -0.805 60.353 61.300 -0.236 0.000 1.080 75 I CB 0.826 38.754 38.000 -0.120 0.000 1.205 75 I HN 0.073 nan 8.210 nan 0.000 0.459 76 Y N 6.560 126.161 120.300 -1.166 0.000 2.981 76 Y HA -0.167 4.383 4.550 0.000 0.000 0.359 76 Y C 0.047 175.428 175.900 -0.865 0.000 1.271 76 Y CA 0.864 57.994 58.100 -1.616 0.000 1.617 76 Y CB 0.313 38.257 38.460 -0.861 0.000 1.154 76 Y HN 0.464 nan 8.280 nan 0.000 0.570 77 K N 4.618 124.286 120.400 -1.219 0.000 2.213 77 K HA 0.182 4.502 4.320 0.000 0.000 0.270 77 K C -0.143 175.847 176.600 -1.017 0.000 1.002 77 K CA -0.677 55.122 56.287 -0.812 0.000 0.868 77 K CB 1.320 33.620 32.500 -0.333 0.000 1.093 77 K HN 0.732 nan 8.250 nan 0.000 0.454 78 T N 1.766 115.831 114.554 -0.815 0.000 2.822 78 T HA -0.050 4.300 4.350 0.000 0.000 0.288 78 T C 1.027 175.568 174.700 -0.264 0.000 0.991 78 T CA 0.366 62.148 62.100 -0.531 0.000 1.176 78 T CB 0.323 69.036 68.868 -0.259 0.000 0.951 78 T HN 0.629 nan 8.240 nan 0.000 0.526 79 S N 3.474 119.093 115.700 -0.136 0.000 2.213 79 S HA 0.251 4.721 4.470 0.000 0.000 0.164 79 S C 1.429 176.017 174.600 -0.019 0.000 1.370 79 S CA 0.578 58.759 58.200 -0.031 0.000 2.315 79 S CB -0.735 62.493 63.200 0.047 0.000 0.448 79 S HN 0.994 nan 8.310 nan 0.000 0.350 80 G N 2.370 111.176 108.800 0.011 0.000 2.789 80 G HA2 0.298 4.258 3.960 0.000 0.000 0.281 80 G HA3 0.298 4.258 3.960 0.000 0.000 0.281 80 G C -0.136 174.764 174.900 0.000 0.000 0.708 80 G CA -0.081 45.025 45.100 0.010 0.000 2.067 80 G HN 0.489 nan 8.290 nan 0.000 0.554 81 T N 2.058 116.603 114.554 -0.015 0.000 2.908 81 T HA 0.294 4.644 4.350 0.000 0.000 0.301 81 T C 0.476 175.167 174.700 -0.014 0.000 1.019 81 T CA 0.408 62.493 62.100 -0.025 0.000 1.152 81 T CB 0.377 69.229 68.868 -0.027 0.000 0.966 81 T HN 0.531 nan 8.240 nan 0.000 0.540 82 L N 1.616 122.824 121.223 -0.024 0.000 2.257 82 L HA 1.088 5.428 4.340 0.000 0.000 0.257 82 L C -0.021 176.838 176.870 -0.019 0.000 1.033 82 L CA -0.967 53.867 54.840 -0.009 0.000 0.835 82 L CB 1.534 43.597 42.059 0.007 0.000 1.398 82 L HN 0.617 nan 8.230 nan 0.000 0.429 83 G N 0.581 109.392 108.800 0.019 0.000 2.733 83 G HA2 0.681 4.641 3.960 0.000 0.000 0.297 83 G HA3 0.681 4.641 3.960 0.000 0.000 0.297 83 G C -1.609 173.347 174.900 0.093 0.000 1.422 83 G CA -0.485 44.645 45.100 0.050 0.000 0.942 83 G HN 1.001 nan 8.290 nan 0.000 0.510 84 I N -0.741 119.923 120.570 0.156 0.000 2.647 84 I HA 0.827 4.997 4.170 0.000 0.000 0.295 84 I C 0.080 176.291 176.117 0.157 0.000 1.078 84 I CA -1.610 59.780 61.300 0.151 0.000 1.048 84 I CB 1.562 39.666 38.000 0.174 0.000 1.239 84 I HN 0.765 nan 8.210 nan 0.000 0.421 85 A N 7.354 130.241 122.820 0.111 0.000 2.476 85 A HA 0.584 4.904 4.320 0.000 0.000 0.275 85 A C -0.352 177.290 177.584 0.097 0.000 1.133 85 A CA -0.024 52.072 52.037 0.098 0.000 0.797 85 A CB -0.404 18.638 19.000 0.070 0.000 1.081 85 A HN 0.701 nan 8.150 nan 0.000 0.510 86 L N 1.858 123.149 121.223 0.114 0.000 2.388 86 L HA 0.799 5.139 4.340 0.000 0.000 0.264 86 L C 0.075 177.002 176.870 0.095 0.000 0.998 86 L CA -0.624 54.269 54.840 0.088 0.000 0.817 86 L CB 2.343 44.444 42.059 0.071 0.000 1.338 86 L HN 0.714 nan 8.230 nan 0.000 0.414 87 A N 1.632 124.491 122.820 0.066 0.000 2.422 87 A HA 0.578 4.898 4.320 0.000 0.000 0.302 87 A C -0.807 176.813 177.584 0.060 0.000 1.041 87 A CA -0.605 51.476 52.037 0.074 0.000 0.708 87 A CB 1.285 20.317 19.000 0.053 0.000 1.257 87 A HN 0.740 nan 8.150 nan 0.000 0.414 88 E N 1.862 122.117 120.200 0.091 0.000 2.413 88 E HA 0.259 4.609 4.350 0.000 0.000 0.263 88 E C -1.971 174.652 176.600 0.038 0.000 1.015 88 E CA -0.936 55.508 56.400 0.072 0.000 0.916 88 E CB 0.184 29.957 29.700 0.121 0.000 0.947 88 E HN 0.439 nan 8.360 nan 0.000 0.440 89 P HA 0.026 nan 4.420 nan 0.000 0.277 89 P C -0.913 176.396 177.300 0.016 0.000 1.271 89 P CA -0.529 62.587 63.100 0.028 0.000 0.795 89 P CB 0.504 32.230 31.700 0.043 0.000 1.101 90 V N 1.202 121.123 119.914 0.011 0.000 2.299 90 V HA 0.173 4.293 4.120 0.000 0.000 0.255 90 V C -1.006 175.053 176.094 -0.059 0.000 1.100 90 V CA -0.162 62.122 62.300 -0.027 0.000 0.938 90 V CB -1.165 30.646 31.823 -0.019 0.000 1.139 90 V HN 0.401 nan 8.190 nan 0.000 0.490 91 D N 6.189 126.495 120.400 -0.157 0.000 2.175 91 D HA 0.632 5.272 4.640 0.000 0.000 0.248 91 D C 0.013 175.876 176.300 -0.729 0.000 1.047 91 D CA 0.002 53.734 54.000 -0.448 0.000 0.883 91 D CB 1.185 41.755 40.800 -0.383 0.000 1.180 91 D HN 0.624 nan 8.370 nan 0.000 0.438 92 I N 1.059 120.953 120.570 -1.126 0.000 8.319 92 I HA -0.191 3.979 4.170 0.000 0.000 0.126 92 I C -2.165 173.746 176.117 -0.342 0.000 1.836 92 I CA -0.622 60.201 61.300 -0.795 0.000 2.073 92 I CB -0.998 36.472 38.000 -0.884 0.000 3.775 92 I HN 0.358 nan 8.210 nan 0.000 0.180 93 P HA 0.514 nan 4.420 nan 0.000 0.281 93 P C -0.312 176.936 177.300 -0.087 0.000 1.264 93 P CA -0.522 62.517 63.100 -0.101 0.000 0.824 93 P CB 1.034 32.707 31.700 -0.044 0.000 1.092 94 A N 1.397 124.177 122.820 -0.066 0.000 2.511 94 A HA 0.288 4.608 4.320 0.000 0.000 0.242 94 A C 0.789 178.351 177.584 -0.037 0.000 1.069 94 A CA -0.456 51.550 52.037 -0.053 0.000 0.763 94 A CB -0.645 18.330 19.000 -0.042 0.000 1.001 94 A HN 0.448 nan 8.150 nan 0.000 0.498 95 V N 2.683 122.578 119.914 -0.032 0.000 2.752 95 V HA 0.271 4.391 4.120 0.000 0.000 0.306 95 V C 0.961 177.045 176.094 -0.016 0.000 1.099 95 V CA 0.011 62.300 62.300 -0.018 0.000 1.240 95 V CB -1.025 30.789 31.823 -0.014 0.000 0.887 95 V HN 1.305 nan 8.190 nan 0.000 0.499 96 S N 2.662 118.354 115.700 -0.013 0.000 2.606 96 S HA 0.112 4.582 4.470 0.000 0.000 0.257 96 S C 0.987 175.581 174.600 -0.011 0.000 1.327 96 S CA 0.512 58.703 58.200 -0.013 0.000 0.984 96 S CB 0.803 63.994 63.200 -0.015 0.000 0.941 96 S HN 0.934 nan 8.310 nan 0.000 0.576 97 E N 1.427 121.621 120.200 -0.011 0.000 2.094 97 E HA -0.216 4.134 4.350 0.000 0.000 0.232 97 E C 1.394 177.989 176.600 -0.007 0.000 1.055 97 E CA 1.972 58.367 56.400 -0.009 0.000 0.923 97 E CB -1.039 28.655 29.700 -0.009 0.000 0.815 97 E HN 0.905 nan 8.360 nan 0.000 0.502 98 G N 1.268 110.064 108.800 -0.007 0.000 3.741 98 G HA2 0.230 4.190 3.960 0.000 0.000 0.263 98 G HA3 0.230 4.190 3.960 0.000 0.000 0.263 98 G C 0.019 174.918 174.900 -0.002 0.000 1.175 98 G CA -0.133 44.965 45.100 -0.004 0.000 1.642 98 G HN 0.043 nan 8.290 nan 0.000 0.644 99 S N 0.044 115.743 115.700 -0.002 0.000 2.634 99 S HA 0.524 4.994 4.470 0.000 0.000 0.254 99 S C 0.334 174.938 174.600 0.006 0.000 1.299 99 S CA 0.095 58.296 58.200 0.002 0.000 0.974 99 S CB 0.999 64.199 63.200 0.000 0.000 1.001 99 S HN 0.486 nan 8.310 nan 0.000 0.584 100 M N -0.113 119.494 119.600 0.011 0.000 2.828 100 M HA 0.519 4.999 4.480 0.000 0.000 0.284 100 M C -1.955 174.352 176.300 0.012 0.000 1.166 100 M CA -0.395 54.914 55.300 0.014 0.000 0.770 100 M CB 1.435 34.048 32.600 0.021 0.000 1.741 100 M HN 0.595 nan 8.290 nan 0.000 0.443 101 Q N 0.344 120.152 119.800 0.013 0.000 2.430 101 Q HA 0.625 4.965 4.340 0.000 0.000 0.253 101 Q C -2.136 173.865 176.000 0.002 0.000 0.945 101 Q CA -0.592 55.215 55.803 0.006 0.000 0.964 101 Q CB 2.406 31.145 28.738 0.002 0.000 1.460 101 Q HN 0.558 nan 8.270 nan 0.000 0.428 102 V N 0.985 120.892 119.914 -0.012 0.000 2.709 102 V HA 0.435 4.556 4.120 0.000 0.000 0.308 102 V C -0.888 175.172 176.094 -0.057 0.000 1.062 102 V CA -0.913 61.368 62.300 -0.032 0.000 0.901 102 V CB 2.012 33.815 31.823 -0.034 0.000 1.003 102 V HN 0.795 nan 8.190 nan 0.000 0.425 103 D N 3.084 123.437 120.400 -0.079 0.000 2.249 103 D HA 0.561 5.201 4.640 0.000 0.000 0.246 103 D C 1.100 177.321 176.300 -0.132 0.000 1.114 103 D CA 0.231 54.176 54.000 -0.093 0.000 0.854 103 D CB 2.067 42.814 40.800 -0.088 0.000 1.132 103 D HN 0.673 nan 8.370 nan 0.000 0.461 104 A N 3.356 126.082 122.820 -0.156 0.000 1.958 104 A HA -0.249 4.071 4.320 0.000 0.000 0.221 104 A C 2.103 179.499 177.584 -0.313 0.000 1.178 104 A CA 2.526 54.408 52.037 -0.258 0.000 0.642 104 A CB -0.910 17.922 19.000 -0.280 0.000 0.816 104 A HN 0.693 nan 8.150 nan 0.000 0.453 105 S N -1.461 114.129 115.700 -0.182 0.000 2.395 105 S HA 0.069 4.539 4.470 0.000 0.000 0.225 105 S C 0.983 175.556 174.600 -0.044 0.000 1.027 105 S CA 0.567 58.731 58.200 -0.059 0.000 0.965 105 S CB 0.009 63.209 63.200 0.001 0.000 0.812 105 S HN 0.319 nan 8.310 nan 0.000 0.482 106 K N 2.744 123.069 120.400 -0.124 0.000 2.290 106 K HA 0.321 4.641 4.320 0.000 0.000 0.250 106 K C 0.640 177.070 176.600 -0.283 0.000 1.092 106 K CA -0.038 56.112 56.287 -0.229 0.000 1.006 106 K CB 1.359 33.685 32.500 -0.290 0.000 1.549 106 K HN 0.362 nan 8.250 nan 0.000 0.436 107 V N -1.607 118.198 119.914 -0.181 0.000 3.506 107 V HA 0.076 4.196 4.120 0.000 0.000 0.263 107 V C 0.152 176.238 176.094 -0.013 0.000 1.203 107 V CA 0.029 62.268 62.300 -0.101 0.000 1.133 107 V CB -0.791 31.008 31.823 -0.040 0.000 0.802 107 V HN 0.746 nan 8.190 nan 0.000 0.459 108 H N 1.111 120.185 119.070 0.006 0.000 3.379 108 H HA -0.068 4.488 4.556 0.000 0.000 0.298 108 H C -1.744 173.586 175.328 0.003 0.000 0.834 108 H CA 0.813 56.863 56.048 0.004 0.000 0.911 108 H CB -0.917 28.846 29.762 0.001 0.000 1.500 108 H HN 0.385 nan 8.280 nan 0.000 0.324 109 P HA -0.083 nan 4.420 nan 0.000 0.229 109 P C 0.927 178.256 177.300 0.048 0.000 1.150 109 P CA 1.410 64.550 63.100 0.067 0.000 0.765 109 P CB 0.276 32.006 31.700 0.050 0.000 0.783 110 G N 0.350 109.181 108.800 0.051 0.000 2.395 110 G HA2 0.356 4.316 3.960 0.000 0.000 0.283 110 G HA3 0.356 4.316 3.960 0.000 0.000 0.283 110 G C -0.210 174.702 174.900 0.021 0.000 1.178 110 G CA -0.420 44.688 45.100 0.013 0.000 0.837 110 G HN -0.086 nan 8.290 nan 0.000 0.518 111 V N 2.059 121.980 119.914 0.011 0.000 2.752 111 V HA 0.014 4.134 4.120 0.000 0.000 0.306 111 V C 1.118 177.221 176.094 0.016 0.000 1.099 111 V CA 1.066 63.375 62.300 0.015 0.000 1.240 111 V CB 0.235 32.063 31.823 0.009 0.000 0.887 111 V HN 0.721 nan 8.190 nan 0.000 0.499 112 I N 0.574 121.159 120.570 0.025 0.000 4.051 112 I HA 0.442 4.612 4.170 0.000 0.000 0.333 112 I C 0.148 176.282 176.117 0.028 0.000 1.399 112 I CA 0.047 61.364 61.300 0.027 0.000 1.087 112 I CB 0.286 38.314 38.000 0.046 0.000 1.625 112 I HN 0.505 nan 8.210 nan 0.000 0.617 113 S N -0.011 115.705 115.700 0.028 0.000 2.655 113 S HA 0.813 5.283 4.470 0.000 0.000 0.266 113 S C -0.751 173.869 174.600 0.033 0.000 1.149 113 S CA -0.336 57.883 58.200 0.032 0.000 0.818 113 S CB 2.105 65.330 63.200 0.042 0.000 1.130 113 S HN 0.445 nan 8.310 nan 0.000 0.476 114 G N 0.095 108.918 108.800 0.040 0.000 2.612 114 G HA2 0.570 4.530 3.960 0.000 0.000 0.298 114 G HA3 0.570 4.530 3.960 0.000 0.000 0.298 114 G C 0.207 175.145 174.900 0.065 0.000 1.336 114 G CA -0.772 44.353 45.100 0.042 0.000 0.953 114 G HN 0.718 nan 8.290 nan 0.000 0.482 115 L N 0.613 121.881 121.223 0.075 0.000 2.189 115 L HA -0.142 4.198 4.340 0.000 0.000 0.214 115 L C 2.052 178.991 176.870 0.116 0.000 1.097 115 L CA 1.615 56.530 54.840 0.125 0.000 0.764 115 L CB 0.052 42.177 42.059 0.111 0.000 0.900 115 L HN 0.579 nan 8.230 nan 0.000 0.436 116 N N -1.344 117.390 118.700 0.057 0.000 2.405 116 N HA -0.027 4.713 4.740 0.000 0.000 0.175 116 N C 0.535 176.047 175.510 0.003 0.000 1.051 116 N CA 0.303 53.363 53.050 0.017 0.000 0.899 116 N CB 0.115 38.609 38.487 0.012 0.000 1.000 116 N HN 0.099 nan 8.380 nan 0.000 0.451 117 S N 1.638 117.352 115.700 0.022 0.000 2.525 117 S HA 0.155 4.625 4.470 0.000 0.000 0.285 117 S C -2.396 172.214 174.600 0.016 0.000 1.283 117 S CA -1.286 56.924 58.200 0.017 0.000 1.072 117 S CB 0.255 63.470 63.200 0.026 0.000 0.867 117 S HN -0.017 nan 8.310 nan 0.000 0.492 118 P HA 0.444 nan 4.420 nan 0.000 0.271 118 P C -1.221 176.091 177.300 0.020 0.000 1.218 118 P CA -0.136 62.963 63.100 -0.001 0.000 0.780 118 P CB 0.810 32.505 31.700 -0.009 0.000 0.901 119 A N 1.482 124.321 122.820 0.032 0.000 2.605 119 A HA 0.676 4.996 4.320 0.000 0.000 0.294 119 A C -0.932 176.682 177.584 0.049 0.000 1.062 119 A CA -0.410 51.651 52.037 0.041 0.000 0.682 119 A CB 0.679 19.711 19.000 0.053 0.000 1.278 119 A HN 0.743 nan 8.150 nan 0.000 0.410 120 c N -0.035 118.586 118.600 0.036 0.000 3.241 120 c HA 0.920 5.490 4.570 0.000 0.000 0.312 120 c C -0.625 173.476 174.090 0.019 0.000 1.350 120 c CA -0.844 55.507 56.329 0.037 0.000 1.415 120 c CB 0.775 43.299 42.510 0.025 0.000 1.770 120 c HN 0.978 nan 8.230 nan 0.000 0.466 121 M N 1.895 121.505 119.600 0.016 0.000 2.528 121 M HA 0.505 4.985 4.480 0.000 0.000 0.321 121 M C -0.704 175.590 176.300 -0.010 0.000 1.153 121 M CA -0.548 54.747 55.300 -0.009 0.000 0.951 121 M CB 1.805 34.389 32.600 -0.028 0.000 1.705 121 M HN 0.651 nan 8.290 nan 0.000 0.451 122 L N 1.579 122.788 121.223 -0.024 0.000 2.410 122 L HA 0.126 4.466 4.340 0.000 0.000 0.273 122 L C 1.152 178.009 176.870 -0.020 0.000 1.152 122 L CA -0.147 54.679 54.840 -0.024 0.000 0.855 122 L CB 0.891 42.931 42.059 -0.030 0.000 1.129 122 L HN 0.865 nan 8.230 nan 0.000 0.463 123 S N 2.213 117.904 115.700 -0.015 0.000 2.355 123 S HA -0.182 4.289 4.470 0.000 0.000 0.222 123 S C 2.087 176.681 174.600 -0.011 0.000 1.031 123 S CA 1.123 59.320 58.200 -0.005 0.000 0.993 123 S CB -0.179 63.011 63.200 -0.016 0.000 0.859 123 S HN 0.833 nan 8.310 nan 0.000 0.453 124 A N 2.857 125.664 122.820 -0.022 0.000 1.896 124 A HA -0.155 4.165 4.320 0.000 0.000 0.220 124 A C 0.496 178.064 177.584 -0.026 0.000 1.206 124 A CA 2.111 54.133 52.037 -0.026 0.000 0.647 124 A CB -1.840 17.145 19.000 -0.026 0.000 0.828 124 A HN 0.539 nan 8.150 nan 0.000 0.455 125 P HA -0.034 nan 4.420 nan 0.000 0.217 125 P C 1.752 179.021 177.300 -0.052 0.000 1.154 125 P CA 0.967 64.038 63.100 -0.048 0.000 0.841 125 P CB -0.178 31.481 31.700 -0.067 0.000 0.790 126 L N 0.913 122.110 121.223 -0.044 0.000 2.013 126 L HA -0.177 4.163 4.340 0.000 0.000 0.212 126 L C 2.573 179.476 176.870 0.055 0.000 1.073 126 L CA 2.187 57.009 54.840 -0.029 0.000 0.753 126 L CB -1.459 40.597 42.059 -0.005 0.000 0.890 126 L HN -0.125 nan 8.230 nan 0.000 0.432 127 E N -0.095 120.156 120.200 0.084 0.000 2.047 127 E HA -0.279 4.071 4.350 0.000 0.000 0.191 127 E C 2.295 179.000 176.600 0.175 0.000 0.987 127 E CA 1.681 58.182 56.400 0.168 0.000 0.799 127 E CB -0.291 29.448 29.700 0.064 0.000 0.752 127 E HN 0.455 nan 8.360 nan 0.000 0.449 128 K N -0.150 120.280 120.400 0.051 0.000 2.281 128 K HA -0.220 4.100 4.320 0.000 0.000 0.203 128 K C 2.155 178.794 176.600 0.066 0.000 1.046 128 K CA 1.456 57.746 56.287 0.005 0.000 0.938 128 K CB -0.017 32.459 32.500 -0.040 0.000 0.737 128 K HN 0.179 nan 8.250 nan 0.000 0.458 129 Q N 0.044 119.877 119.800 0.056 0.000 2.123 129 Q HA 0.004 4.344 4.340 0.000 0.000 0.196 129 Q C 2.017 178.067 176.000 0.083 0.000 0.958 129 Q CA 0.581 56.401 55.803 0.028 0.000 0.841 129 Q CB 0.163 28.821 28.738 -0.133 0.000 0.915 129 Q HN 0.293 nan 8.270 nan 0.000 0.455 130 L N -0.425 120.881 121.223 0.138 0.000 1.961 130 L HA -0.119 4.221 4.340 0.000 0.000 0.210 130 L C 0.722 177.608 176.870 0.026 0.000 1.072 130 L CA 0.897 55.807 54.840 0.117 0.000 0.749 130 L CB -0.249 41.940 42.059 0.217 0.000 0.889 130 L HN 0.182 nan 8.230 nan 0.000 0.432 131 F N -0.570 119.444 119.950 0.106 0.000 2.733 131 F HA 0.023 4.550 4.527 0.000 0.000 0.344 131 F C 1.317 177.169 175.800 0.086 0.000 1.179 131 F CA -0.395 57.674 58.000 0.115 0.000 1.316 131 F CB -0.919 38.143 39.000 0.104 0.000 1.577 131 F HN 0.029 nan 8.300 nan 0.000 0.591 132 Y N 0.187 120.490 120.300 0.005 0.000 2.263 132 Y HA -0.028 4.522 4.550 0.000 0.000 0.292 132 Y C 0.432 176.318 175.900 -0.025 0.000 1.130 132 Y CA 0.448 58.486 58.100 -0.103 0.000 1.179 132 Y CB -0.497 37.768 38.460 -0.326 0.000 0.998 132 Y HN 0.131 nan 8.280 nan 0.000 0.532 133 Y N 1.317 121.590 120.300 -0.047 0.000 2.336 133 Y HA 0.322 4.872 4.550 0.000 0.000 0.331 133 Y C 0.091 175.958 175.900 -0.056 0.000 1.211 133 Y CA -0.498 57.502 58.100 -0.166 0.000 1.346 133 Y CB 0.506 38.900 38.460 -0.109 0.000 1.271 133 Y HN -0.194 nan 8.280 nan 0.000 0.538 134 I N 1.245 121.832 120.570 0.028 0.000 2.648 134 I HA 0.732 4.902 4.170 0.000 0.000 0.304 134 I C 0.535 176.645 176.117 -0.011 0.000 1.009 134 I CA -0.313 60.936 61.300 -0.086 0.000 1.114 134 I CB 1.996 39.863 38.000 -0.222 0.000 1.293 134 I HN 0.816 nan 8.210 nan 0.000 0.449 135 G N 2.308 111.101 108.800 -0.012 0.000 2.726 135 G HA2 0.502 4.462 3.960 0.000 0.000 0.198 135 G HA3 0.502 4.462 3.960 0.000 0.000 0.198 135 G C -1.382 173.533 174.900 0.026 0.000 1.195 135 G CA -0.268 44.849 45.100 0.028 0.000 0.951 135 G HN 0.416 nan 8.290 nan 0.000 0.532 136 T N 1.777 116.357 114.554 0.044 0.000 3.089 136 T HA 0.271 4.621 4.350 0.000 0.000 0.340 136 T C 1.035 175.764 174.700 0.048 0.000 1.008 136 T CA -0.568 61.559 62.100 0.045 0.000 1.096 136 T CB 1.328 70.221 68.868 0.041 0.000 1.024 136 T HN 0.258 nan 8.240 nan 0.000 0.477 137 M N 1.673 121.300 119.600 0.046 0.000 2.202 137 M HA 0.097 4.577 4.480 0.000 0.000 0.262 137 M C 0.502 176.832 176.300 0.050 0.000 1.063 137 M CA 1.340 56.658 55.300 0.030 0.000 1.097 137 M CB -0.742 31.897 32.600 0.065 0.000 1.382 137 M HN 0.505 nan 8.290 nan 0.000 0.413 138 L N 1.355 122.623 121.223 0.076 0.000 2.324 138 L HA 0.337 4.677 4.340 0.000 0.000 0.274 138 L C -1.969 174.990 176.870 0.148 0.000 1.012 138 L CA -1.846 53.064 54.840 0.118 0.000 0.859 138 L CB 0.967 43.094 42.059 0.114 0.000 1.224 138 L HN -0.040 nan 8.230 nan 0.000 0.429 139 P HA 0.022 nan 4.420 nan 0.000 0.288 139 P C -0.365 176.973 177.300 0.063 0.000 1.291 139 P CA -0.245 62.907 63.100 0.086 0.000 0.766 139 P CB 1.036 32.758 31.700 0.037 0.000 1.242 140 N N -1.579 117.120 118.700 -0.001 0.000 2.273 140 N HA 0.053 4.793 4.740 0.000 0.000 0.231 140 N C -0.242 175.218 175.510 -0.082 0.000 1.134 140 N CA -0.115 52.921 53.050 -0.023 0.000 0.856 140 N CB -0.539 37.938 38.487 -0.018 0.000 1.068 140 N HN 0.399 nan 8.380 nan 0.000 0.510 141 T N -2.369 112.109 114.554 -0.128 0.000 2.918 141 T HA 0.173 4.523 4.350 0.000 0.000 0.302 141 T C 1.526 176.078 174.700 -0.247 0.000 1.045 141 T CA -0.367 61.613 62.100 -0.200 0.000 1.114 141 T CB 1.171 69.856 68.868 -0.307 0.000 0.965 141 T HN 0.118 nan 8.240 nan 0.000 0.540 142 R N 2.150 122.491 120.500 -0.265 0.000 2.112 142 R HA -0.097 4.243 4.340 0.000 0.000 0.242 142 R C -0.392 175.546 176.300 -0.603 0.000 1.137 142 R CA 2.109 57.938 56.100 -0.452 0.000 0.944 142 R CB -1.821 28.316 30.300 -0.271 0.000 0.857 142 R HN 0.673 nan 8.270 nan 0.000 0.435 143 P HA -0.206 nan 4.420 nan 0.000 0.213 143 P C 0.818 178.116 177.300 -0.003 0.000 1.170 143 P CA 1.788 64.847 63.100 -0.067 0.000 0.902 143 P CB -0.383 31.333 31.700 0.027 0.000 0.789 144 H N -0.394 118.620 119.070 -0.094 0.000 2.353 144 H HA -0.022 4.535 4.556 0.000 0.000 0.300 144 H C 2.327 177.615 175.328 -0.067 0.000 1.090 144 H CA 0.914 56.947 56.048 -0.026 0.000 1.327 144 H CB -0.377 29.442 29.762 0.095 0.000 1.383 144 H HN 0.139 nan 8.280 nan 0.000 0.508 145 S N 0.372 116.070 115.700 -0.003 0.000 2.462 145 S HA -0.162 4.308 4.470 0.000 0.000 0.243 145 S C 1.221 175.840 174.600 0.032 0.000 1.003 145 S CA 0.985 59.162 58.200 -0.039 0.000 0.970 145 S CB -0.223 62.896 63.200 -0.135 0.000 0.762 145 S HN 0.399 nan 8.310 nan 0.000 0.510 146 Y N -0.200 120.082 120.300 -0.031 0.000 2.448 146 Y HA 0.203 4.753 4.550 0.000 0.000 0.289 146 Y C 2.112 177.953 175.900 -0.098 0.000 1.114 146 Y CA -0.559 57.527 58.100 -0.023 0.000 1.235 146 Y CB -0.467 38.008 38.460 0.025 0.000 1.045 146 Y HN 0.089 nan 8.280 nan 0.000 0.554 147 V N -1.899 117.865 119.914 -0.251 0.000 2.599 147 V HA 0.037 4.157 4.120 0.000 0.000 0.237 147 V C 0.313 176.034 176.094 -0.622 0.000 1.081 147 V CA 0.379 62.196 62.300 -0.805 0.000 1.107 147 V CB -0.299 30.671 31.823 -1.422 0.000 0.808 147 V HN -0.156 nan 8.190 nan 0.000 0.486 148 F N -1.234 118.598 119.950 -0.196 0.000 2.370 148 F HA 0.498 5.026 4.527 0.000 0.000 0.319 148 F C -0.207 175.534 175.800 -0.098 0.000 1.129 148 F CA -1.221 56.704 58.000 -0.126 0.000 1.109 148 F CB 0.108 39.060 39.000 -0.079 0.000 1.262 148 F HN -0.034 nan 8.300 nan 0.000 0.534 149 Y N 1.432 121.867 120.300 0.225 0.000 2.350 149 Y HA 0.172 4.723 4.550 0.000 0.000 0.340 149 Y C 0.273 176.244 175.900 0.119 0.000 1.006 149 Y CA -0.688 57.490 58.100 0.130 0.000 1.166 149 Y CB 0.438 38.955 38.460 0.095 0.000 1.168 149 Y HN 0.363 nan 8.280 nan 0.000 0.502 150 Q N 3.436 123.388 119.800 0.255 0.000 2.859 150 Q HA -0.111 4.229 4.340 0.000 0.000 0.364 150 Q C -0.822 175.272 176.000 0.157 0.000 1.067 150 Q CA 0.694 56.601 55.803 0.173 0.000 1.162 150 Q CB 0.355 29.174 28.738 0.134 0.000 1.023 150 Q HN 0.557 nan 8.270 nan 0.000 0.415 151 L N 3.215 124.515 121.223 0.127 0.000 2.354 151 L HA 0.580 4.921 4.340 0.000 0.000 0.269 151 L C -0.818 176.099 176.870 0.079 0.000 1.005 151 L CA -0.404 54.501 54.840 0.108 0.000 0.819 151 L CB 1.909 44.044 42.059 0.128 0.000 1.311 151 L HN 0.620 nan 8.230 nan 0.000 0.423 152 R N 4.448 124.983 120.500 0.059 0.000 2.518 152 R HA 0.697 5.037 4.340 0.000 0.000 0.296 152 R C -1.940 174.361 176.300 0.001 0.000 1.080 152 R CA -0.343 55.772 56.100 0.025 0.000 0.922 152 R CB 0.831 31.137 30.300 0.010 0.000 1.184 152 R HN 0.932 nan 8.270 nan 0.000 0.445 153 C N 0.389 119.683 119.300 -0.010 0.000 3.318 153 C HA 0.543 5.003 4.460 0.000 0.000 0.322 153 C C -0.232 174.735 174.990 -0.038 0.000 1.398 153 C CA -1.244 57.757 59.018 -0.028 0.000 1.339 153 C CB 1.385 29.159 27.740 0.056 0.000 1.668 153 C HN 0.757 nan 8.230 nan 0.000 0.462 154 H N 1.175 120.286 119.070 0.068 0.000 2.928 154 H HA 0.440 4.996 4.556 0.000 0.000 0.338 154 H C -0.094 175.377 175.328 0.239 0.000 1.047 154 H CA 1.010 57.134 56.048 0.127 0.000 1.435 154 H CB 0.590 30.434 29.762 0.137 0.000 1.428 154 H HN 0.613 nan 8.280 nan 0.000 0.590 155 L N 0.081 121.527 121.223 0.371 0.000 2.598 155 L HA 0.693 5.034 4.340 0.000 0.000 0.246 155 L C -0.518 176.425 176.870 0.122 0.000 1.124 155 L CA -1.068 53.986 54.840 0.356 0.000 1.019 155 L CB 0.788 42.936 42.059 0.147 0.000 1.583 155 L HN 0.604 nan 8.230 nan 0.000 0.386 156 S N -1.242 114.437 115.700 -0.035 0.000 2.556 156 S HA 0.771 5.241 4.470 0.000 0.000 0.280 156 S C -1.544 172.944 174.600 -0.186 0.000 1.141 156 S CA -0.635 57.419 58.200 -0.243 0.000 0.883 156 S CB 0.883 63.885 63.200 -0.330 0.000 1.103 156 S HN 1.487 nan 8.310 nan 0.000 0.453 157 Y N -0.591 119.619 120.300 -0.150 0.000 2.665 157 Y HA 0.904 5.454 4.550 0.000 0.000 0.336 157 Y C -1.228 174.522 175.900 -0.251 0.000 1.085 157 Y CA -2.008 55.977 58.100 -0.193 0.000 1.096 157 Y CB 0.665 39.012 38.460 -0.188 0.000 1.301 157 Y HN 0.567 nan 8.280 nan 0.000 0.493 158 V N 1.539 121.479 119.914 0.044 0.000 2.357 158 V HA 0.767 4.887 4.120 0.000 0.000 0.281 158 V C 0.115 176.136 176.094 -0.122 0.000 1.015 158 V CA -0.890 61.358 62.300 -0.086 0.000 0.827 158 V CB 0.241 31.961 31.823 -0.172 0.000 1.018 158 V HN 1.109 nan 8.190 nan 0.000 0.432 159 A N 4.976 127.757 122.820 -0.065 0.000 2.388 159 A HA 0.830 5.151 4.320 0.000 0.000 0.257 159 A C -0.771 176.780 177.584 -0.054 0.000 1.095 159 A CA -0.142 51.808 52.037 -0.145 0.000 0.791 159 A CB 0.924 19.838 19.000 -0.142 0.000 1.029 159 A HN 0.821 nan 8.150 nan 0.000 0.489 160 L N 1.268 122.459 121.223 -0.052 0.000 2.472 160 L HA 0.719 5.060 4.340 0.000 0.000 0.260 160 L C -0.455 176.421 176.870 0.011 0.000 0.963 160 L CA 0.206 55.069 54.840 0.037 0.000 0.829 160 L CB 2.295 44.440 42.059 0.142 0.000 1.348 160 L HN 0.672 nan 8.230 nan 0.000 0.408 161 S N 4.713 120.436 115.700 0.039 0.000 2.706 161 S HA 0.820 5.291 4.470 0.000 0.000 0.270 161 S C -1.262 173.378 174.600 0.067 0.000 1.163 161 S CA -0.553 57.669 58.200 0.036 0.000 1.042 161 S CB 0.377 63.582 63.200 0.007 0.000 1.079 161 S HN 0.422 nan 8.310 nan 0.000 0.474 162 I N 3.129 123.767 120.570 0.113 0.000 3.067 162 I HA 0.550 4.720 4.170 0.000 0.000 0.312 162 I C 0.735 176.895 176.117 0.071 0.000 1.073 162 I CA -0.893 60.454 61.300 0.079 0.000 1.016 162 I CB 1.126 39.146 38.000 0.033 0.000 1.227 162 I HN 0.767 nan 8.210 nan 0.000 0.456 163 N N 2.030 120.740 118.700 0.017 0.000 2.678 163 N HA -0.187 4.553 4.740 0.000 0.000 0.249 163 N C 0.603 176.121 175.510 0.012 0.000 1.119 163 N CA 1.412 54.461 53.050 -0.001 0.000 0.718 163 N CB -1.155 37.320 38.487 -0.021 0.000 1.060 163 N HN 1.142 nan 8.380 nan 0.000 0.552 164 G N 0.362 109.173 108.800 0.018 0.000 2.392 164 G HA2 -0.239 3.722 3.960 0.000 0.000 0.290 164 G HA3 -0.239 3.722 3.960 0.000 0.000 0.290 164 G C 0.136 175.041 174.900 0.009 0.000 1.032 164 G CA 0.195 45.301 45.100 0.010 0.000 1.269 164 G HN 0.526 nan 8.290 nan 0.000 0.511 165 D N -1.441 118.967 120.400 0.013 0.000 3.070 165 D HA -0.184 4.456 4.640 0.000 0.000 0.220 165 D C 1.611 177.915 176.300 0.007 0.000 1.176 165 D CA 1.806 55.806 54.000 -0.001 0.000 0.924 165 D CB -0.375 40.414 40.800 -0.017 0.000 1.124 165 D HN 0.747 nan 8.370 nan 0.000 0.411 166 K N -0.854 119.567 120.400 0.035 0.000 2.400 166 K HA 0.091 4.411 4.320 0.000 0.000 0.194 166 K C 0.529 177.200 176.600 0.120 0.000 1.033 166 K CA 0.295 56.609 56.287 0.045 0.000 1.021 166 K CB 0.565 33.081 32.500 0.027 0.000 0.808 166 K HN 0.170 nan 8.250 nan 0.000 0.505 167 F N 1.536 121.460 119.950 -0.044 0.000 2.615 167 F HA 0.171 4.699 4.527 0.000 0.000 0.312 167 F C -1.955 173.844 175.800 -0.002 0.000 1.119 167 F CA -0.681 57.303 58.000 -0.026 0.000 0.979 167 F CB 1.536 40.492 39.000 -0.073 0.000 1.266 167 F HN -0.121 nan 8.300 nan 0.000 0.444 168 Q N 4.902 124.293 119.800 -0.681 0.000 2.435 168 Q HA 0.438 4.778 4.340 0.000 0.000 0.282 168 Q C -2.335 173.446 176.000 -0.364 0.000 1.020 168 Q CA -1.059 54.521 55.803 -0.372 0.000 0.820 168 Q CB 3.084 31.706 28.738 -0.193 0.000 1.436 168 Q HN 0.707 nan 8.270 nan 0.000 0.395 169 Y N 0.398 120.549 120.300 -0.249 0.000 2.499 169 Y HA 0.675 5.225 4.550 0.000 0.000 0.347 169 Y C -1.518 174.305 175.900 -0.129 0.000 0.987 169 Y CA -0.578 57.439 58.100 -0.138 0.000 1.044 169 Y CB 2.793 41.288 38.460 0.058 0.000 1.245 169 Y HN 0.756 nan 8.280 nan 0.000 0.461 170 T N 3.880 117.893 114.554 -0.901 0.000 2.949 170 T HA 0.397 4.747 4.350 0.000 0.000 0.300 170 T C -0.130 174.015 174.700 -0.924 0.000 0.988 170 T CA -0.418 61.221 62.100 -0.768 0.000 0.993 170 T CB 1.069 69.677 68.868 -0.433 0.000 0.984 170 T HN 0.950 nan 8.240 nan 0.000 0.442 171 G N 2.247 110.621 108.800 -0.710 0.000 3.343 171 G HA2 0.502 4.463 3.960 0.000 0.000 0.264 171 G HA3 0.502 4.463 3.960 0.000 0.000 0.264 171 G C 0.422 175.245 174.900 -0.128 0.000 0.884 171 G CA -0.570 44.314 45.100 -0.359 0.000 1.916 171 G HN 0.979 nan 8.290 nan 0.000 0.618 172 A N 2.856 125.607 122.820 -0.116 0.000 2.454 172 A HA 0.672 4.992 4.320 0.000 0.000 0.260 172 A C 0.349 177.879 177.584 -0.089 0.000 1.106 172 A CA -0.079 51.932 52.037 -0.044 0.000 0.780 172 A CB -0.008 18.962 19.000 -0.050 0.000 1.044 172 A HN 0.988 nan 8.150 nan 0.000 0.498 173 M N 1.792 121.354 119.600 -0.063 0.000 2.470 173 M HA 0.689 5.169 4.480 0.000 0.000 0.285 173 M C -0.707 175.639 176.300 0.076 0.000 1.213 173 M CA -0.437 54.808 55.300 -0.091 0.000 0.901 173 M CB 1.914 34.558 32.600 0.074 0.000 1.718 173 M HN 0.499 nan 8.290 nan 0.000 0.469 174 T N -0.465 114.073 114.554 -0.026 0.000 2.807 174 T HA 0.488 4.839 4.350 0.000 0.000 0.277 174 T C 0.963 175.776 174.700 0.189 0.000 1.006 174 T CA 0.115 62.295 62.100 0.134 0.000 1.006 174 T CB 1.486 70.232 68.868 -0.203 0.000 1.274 174 T HN 0.937 nan 8.240 nan 0.000 0.569 175 S N 0.202 115.695 115.700 -0.346 0.000 2.547 175 S HA 0.073 4.543 4.470 0.000 0.000 0.235 175 S C 1.276 175.973 174.600 0.161 0.000 0.980 175 S CA 0.706 58.689 58.200 -0.363 0.000 0.941 175 S CB -0.271 62.541 63.200 -0.646 0.000 0.763 175 S HN 0.678 nan 8.310 nan 0.000 0.532 176 K N -0.273 120.299 120.400 0.286 0.000 2.424 176 K HA 0.323 4.643 4.320 0.000 0.000 0.198 176 K C -0.193 176.771 176.600 0.607 0.000 1.190 176 K CA 0.184 56.756 56.287 0.476 0.000 0.935 176 K CB 0.787 33.492 32.500 0.343 0.000 1.087 176 K HN 0.586 nan 8.250 nan 0.000 0.524 177 F N -0.413 119.662 119.950 0.208 0.000 2.654 177 F HA 0.553 5.080 4.527 0.000 0.000 0.308 177 F C -1.593 173.892 175.800 -0.525 0.000 1.108 177 F CA -1.693 56.185 58.000 -0.203 0.000 0.957 177 F CB 0.928 39.844 39.000 -0.140 0.000 1.309 177 F HN -0.298 nan 8.300 nan 0.000 0.446 178 L N 4.131 124.890 121.223 -0.774 0.000 2.331 178 L HA 0.749 5.089 4.340 0.000 0.000 0.275 178 L C -1.152 175.718 176.870 -0.001 0.000 1.022 178 L CA -0.718 53.804 54.840 -0.529 0.000 0.812 178 L CB 1.875 43.562 42.059 -0.620 0.000 1.257 178 L HN 0.919 nan 8.230 nan 0.000 0.435 179 M N 4.586 124.200 119.600 0.023 0.000 2.060 179 M HA 0.390 4.870 4.480 0.000 0.000 0.231 179 M C -0.682 175.659 176.300 0.068 0.000 0.936 179 M CA -0.242 55.124 55.300 0.109 0.000 0.981 179 M CB 0.661 33.322 32.600 0.102 0.000 2.216 179 M HN 0.837 nan 8.290 nan 0.000 0.399 180 G N 2.185 111.089 108.800 0.174 0.000 2.444 180 G HA2 0.585 4.545 3.960 0.000 0.000 0.268 180 G HA3 0.585 4.545 3.960 0.000 0.000 0.268 180 G C -0.280 174.603 174.900 -0.027 0.000 1.203 180 G CA -0.104 45.067 45.100 0.120 0.000 0.835 180 G HN 0.631 nan 8.290 nan 0.000 0.543 181 T N -1.130 113.361 114.554 -0.105 0.000 2.861 181 T HA 0.583 4.933 4.350 0.000 0.000 0.287 181 T C -1.124 173.501 174.700 -0.125 0.000 1.003 181 T CA -0.764 61.264 62.100 -0.120 0.000 0.977 181 T CB 1.384 70.255 68.868 0.004 0.000 0.996 181 T HN 0.323 nan 8.240 nan 0.000 0.448 182 Y N 1.337 121.622 120.300 -0.025 0.000 2.352 182 Y HA 0.699 5.250 4.550 0.000 0.000 0.326 182 Y C 0.560 176.443 175.900 -0.028 0.000 1.166 182 Y CA -1.268 56.767 58.100 -0.107 0.000 1.182 182 Y CB 1.734 40.010 38.460 -0.305 0.000 1.216 182 Y HN 0.753 nan 8.280 nan 0.000 0.474 183 K N 3.615 124.021 120.400 0.010 0.000 2.652 183 K HA 0.413 4.733 4.320 0.000 0.000 0.249 183 K C -1.211 175.327 176.600 -0.103 0.000 0.986 183 K CA -0.664 55.617 56.287 -0.010 0.000 0.867 183 K CB 1.342 33.772 32.500 -0.117 0.000 1.201 183 K HN 0.782 nan 8.250 nan 0.000 0.450 184 R N 2.789 123.344 120.500 0.091 0.000 2.873 184 R HA 0.681 5.021 4.340 0.000 0.000 0.264 184 R C -1.439 174.896 176.300 0.058 0.000 1.026 184 R CA -0.700 55.479 56.100 0.131 0.000 1.002 184 R CB 1.929 32.319 30.300 0.149 0.000 1.174 184 R HN 0.334 nan 8.270 nan 0.000 0.488 185 V N 1.847 121.794 119.914 0.054 0.000 2.612 185 V HA 0.232 4.353 4.120 0.000 0.000 0.301 185 V C -0.065 176.042 176.094 0.021 0.000 1.059 185 V CA -0.837 61.473 62.300 0.017 0.000 0.886 185 V CB 1.886 33.705 31.823 -0.006 0.000 1.007 185 V HN 0.916 nan 8.190 nan 0.000 0.426 186 T N 2.437 117.010 114.554 0.032 0.000 2.698 186 T HA 0.114 4.465 4.350 0.000 0.000 0.295 186 T C 1.315 176.018 174.700 0.004 0.000 1.007 186 T CA -0.497 61.620 62.100 0.029 0.000 0.980 186 T CB 0.634 69.537 68.868 0.058 0.000 1.036 186 T HN 0.732 nan 8.240 nan 0.000 0.526 187 E N 0.285 120.485 120.200 0.000 0.000 2.171 187 E HA -0.090 4.260 4.350 0.000 0.000 0.197 187 E C 0.855 177.451 176.600 -0.007 0.000 0.997 187 E CA 1.218 57.614 56.400 -0.007 0.000 0.810 187 E CB -0.107 29.589 29.700 -0.006 0.000 0.738 187 E HN 0.486 nan 8.360 nan 0.000 0.467 188 K N -0.422 119.975 120.400 -0.005 0.000 2.179 188 K HA 0.320 4.640 4.320 0.000 0.000 0.238 188 K C 1.165 177.753 176.600 -0.020 0.000 1.033 188 K CA 0.234 56.515 56.287 -0.010 0.000 0.926 188 K CB 0.786 33.282 32.500 -0.006 0.000 1.151 188 K HN 0.016 nan 8.250 nan 0.000 0.492 189 G N 1.021 109.806 108.800 -0.024 0.000 3.028 189 G HA2 -0.089 3.871 3.960 0.000 0.000 0.205 189 G HA3 -0.089 3.871 3.960 0.000 0.000 0.205 189 G C -0.348 174.520 174.900 -0.054 0.000 1.182 189 G CA 0.085 45.164 45.100 -0.034 0.000 0.860 189 G HN 0.535 nan 8.290 nan 0.000 0.507 190 D N 0.620 120.981 120.400 -0.065 0.000 2.450 190 D HA 0.158 4.798 4.640 0.000 0.000 0.247 190 D C 0.136 176.326 176.300 -0.183 0.000 1.162 190 D CA 0.527 54.445 54.000 -0.135 0.000 0.879 190 D CB 1.005 41.732 40.800 -0.121 0.000 1.163 190 D HN 0.361 nan 8.370 nan 0.000 0.472 191 E N 2.498 122.561 120.200 -0.227 0.000 2.186 191 E HA 0.136 4.486 4.350 0.000 0.000 0.255 191 E C -0.873 175.586 176.600 -0.236 0.000 0.881 191 E CA -0.727 55.567 56.400 -0.177 0.000 0.752 191 E CB 0.484 30.121 29.700 -0.106 0.000 1.176 191 E HN 0.402 nan 8.360 nan 0.000 0.421 192 H N 2.690 121.739 119.070 -0.036 0.000 2.467 192 H HA 0.375 4.931 4.556 0.000 0.000 0.326 192 H C -0.302 174.947 175.328 -0.132 0.000 1.094 192 H CA -0.536 55.422 56.048 -0.151 0.000 1.253 192 H CB 1.499 31.236 29.762 -0.042 0.000 1.439 192 H HN 0.333 nan 8.280 nan 0.000 0.479 193 V N 2.106 121.814 119.914 -0.342 0.000 2.789 193 V HA 0.651 4.771 4.120 0.000 0.000 0.311 193 V C -0.979 175.146 176.094 0.053 0.000 1.073 193 V CA -0.995 61.298 62.300 -0.012 0.000 0.921 193 V CB 2.197 33.908 31.823 -0.185 0.000 1.009 193 V HN 0.457 nan 8.190 nan 0.000 0.426 194 L N 3.414 124.621 121.223 -0.027 0.000 2.526 194 L HA 0.950 5.290 4.340 0.000 0.000 0.263 194 L C -0.428 176.389 176.870 -0.089 0.000 0.943 194 L CA 0.104 54.884 54.840 -0.100 0.000 0.859 194 L CB 2.162 43.956 42.059 -0.441 0.000 1.313 194 L HN 1.188 nan 8.230 nan 0.000 0.406 195 S N 4.279 119.988 115.700 0.015 0.000 2.599 195 S HA 0.885 5.355 4.470 0.000 0.000 0.294 195 S C -0.915 173.651 174.600 -0.056 0.000 1.094 195 S CA -0.907 57.269 58.200 -0.041 0.000 0.931 195 S CB 1.763 65.017 63.200 0.090 0.000 1.093 195 S HN 0.715 nan 8.310 nan 0.000 0.488 196 L N 1.605 122.731 121.223 -0.161 0.000 2.346 196 L HA 0.698 5.038 4.340 0.000 0.000 0.276 196 L C -1.227 175.642 176.870 -0.002 0.000 1.006 196 L CA -1.092 53.637 54.840 -0.186 0.000 0.817 196 L CB 2.064 43.721 42.059 -0.670 0.000 1.272 196 L HN 0.548 nan 8.230 nan 0.000 0.421 197 V N 2.592 122.575 119.914 0.116 0.000 2.444 197 V HA 0.431 4.551 4.120 0.000 0.000 0.294 197 V C -0.754 175.538 176.094 0.330 0.000 1.022 197 V CA -0.561 61.861 62.300 0.204 0.000 0.850 197 V CB 1.657 33.551 31.823 0.119 0.000 0.992 197 V HN 0.462 nan 8.190 nan 0.000 0.426 198 F N 3.151 123.239 119.950 0.229 0.000 2.522 198 F HA 0.982 5.509 4.527 0.000 0.000 0.324 198 F C 0.375 176.273 175.800 0.163 0.000 1.077 198 F CA 0.344 58.501 58.000 0.262 0.000 0.944 198 F CB 2.112 41.320 39.000 0.348 0.000 1.175 198 F HN 0.863 nan 8.300 nan 0.000 0.468 199 G N 3.553 111.923 108.800 -0.716 0.000 2.361 199 G HA2 0.122 4.082 3.960 0.000 0.000 0.305 199 G HA3 0.122 4.082 3.960 0.000 0.000 0.305 199 G C -1.894 172.918 174.900 -0.146 0.000 1.367 199 G CA -1.326 43.575 45.100 -0.332 0.000 0.951 199 G HN 0.652 nan 8.290 nan 0.000 0.615 200 K N 0.878 121.182 120.400 -0.159 0.000 2.447 200 K HA 0.242 4.562 4.320 0.000 0.000 0.281 200 K C 1.610 178.067 176.600 -0.239 0.000 1.031 200 K CA 0.516 56.565 56.287 -0.398 0.000 1.019 200 K CB 0.659 32.958 32.500 -0.334 0.000 0.918 200 K HN 0.521 nan 8.250 nan 0.000 0.476 201 T N 2.765 117.182 114.554 -0.229 0.000 2.751 201 T HA -0.260 4.090 4.350 0.000 0.000 0.268 201 T C 1.620 176.200 174.700 -0.200 0.000 1.045 201 T CA 2.057 64.032 62.100 -0.207 0.000 1.142 201 T CB -0.177 68.607 68.868 -0.140 0.000 0.851 201 T HN 0.652 nan 8.240 nan 0.000 0.474 202 K N 1.142 121.449 120.400 -0.155 0.000 2.365 202 K HA -0.012 4.309 4.320 0.000 0.000 0.199 202 K C 1.258 177.803 176.600 -0.091 0.000 1.045 202 K CA 1.334 57.558 56.287 -0.105 0.000 0.962 202 K CB 0.151 32.602 32.500 -0.082 0.000 0.759 202 K HN 0.171 nan 8.250 nan 0.000 0.469 203 D N 0.439 120.776 120.400 -0.106 0.000 2.349 203 D HA 0.068 4.708 4.640 0.000 0.000 0.214 203 D C -0.183 175.988 176.300 -0.215 0.000 1.063 203 D CA -0.100 53.859 54.000 -0.069 0.000 0.847 203 D CB 0.156 40.990 40.800 0.058 0.000 0.933 203 D HN 0.079 nan 8.370 nan 0.000 0.513 204 L N 2.132 123.158 121.223 -0.329 0.000 2.514 204 L HA 0.076 4.416 4.340 0.000 0.000 0.280 204 L C -1.670 175.004 176.870 -0.327 0.000 1.223 204 L CA -0.614 53.917 54.840 -0.515 0.000 0.864 204 L CB -0.591 40.974 42.059 -0.823 0.000 1.118 204 L HN -0.178 nan 8.230 nan 0.000 0.494 205 P HA -0.031 nan 4.420 nan 0.000 0.272 205 P C -1.103 176.289 177.300 0.154 0.000 1.243 205 P CA -0.073 62.885 63.100 -0.237 0.000 0.803 205 P CB 0.350 31.744 31.700 -0.510 0.000 0.974 206 D N 0.580 121.093 120.400 0.188 0.000 2.277 206 D HA 0.192 4.832 4.640 0.000 0.000 0.249 206 D C 0.133 176.646 176.300 0.355 0.000 1.134 206 D CA -0.083 54.076 54.000 0.266 0.000 0.863 206 D CB 0.517 41.448 40.800 0.218 0.000 1.143 206 D HN 0.184 nan 8.370 nan 0.000 0.458 207 L N 2.134 123.471 121.223 0.190 0.000 2.397 207 L HA 0.281 4.621 4.340 0.000 0.000 0.271 207 L C 1.866 178.804 176.870 0.113 0.000 1.148 207 L CA -0.406 54.451 54.840 0.028 0.000 0.825 207 L CB 1.233 43.193 42.059 -0.165 0.000 1.117 207 L HN 0.315 nan 8.230 nan 0.000 0.456 208 R N 1.836 122.273 120.500 -0.105 0.000 1.909 208 R HA 0.156 4.496 4.340 0.000 0.000 0.173 208 R C 1.058 177.316 176.300 -0.070 0.000 1.536 208 R CA 0.563 56.439 56.100 -0.373 0.000 1.352 208 R CB -0.524 29.387 30.300 -0.648 0.000 0.888 208 R HN 0.801 nan 8.270 nan 0.000 0.503 209 G N 0.542 109.328 108.800 -0.022 0.000 2.443 209 G HA2 0.013 3.973 3.960 0.000 0.000 0.286 209 G HA3 0.013 3.973 3.960 0.000 0.000 0.286 209 G C -2.051 172.687 174.900 -0.270 0.000 1.393 209 G CA -0.765 44.244 45.100 -0.152 0.000 1.080 209 G HN 0.351 nan 8.290 nan 0.000 0.566 210 P HA 0.202 nan 4.420 nan 0.000 0.245 210 P C -1.094 175.799 177.300 -0.679 0.000 1.670 210 P CA 0.435 63.208 63.100 -0.545 0.000 1.146 210 P CB -0.468 30.851 31.700 -0.634 0.000 1.954 211 F N 0.501 120.384 119.950 -0.112 0.000 2.540 211 F HA 0.460 4.987 4.527 0.000 0.000 0.317 211 F C 0.424 176.147 175.800 -0.127 0.000 1.104 211 F CA -0.698 57.252 58.000 -0.083 0.000 0.913 211 F CB 1.772 40.662 39.000 -0.184 0.000 1.170 211 F HN -0.107 nan 8.300 nan 0.000 0.450 212 S N 1.781 117.556 115.700 0.125 0.000 2.647 212 S HA 0.343 4.813 4.470 0.000 0.000 0.300 212 S C 0.278 174.905 174.600 0.045 0.000 1.129 212 S CA -0.718 57.510 58.200 0.047 0.000 1.029 212 S CB 0.514 63.748 63.200 0.056 0.000 1.007 212 S HN 0.649 nan 8.310 nan 0.000 0.484 213 Y N 2.735 123.064 120.300 0.049 0.000 2.173 213 Y HA -0.170 4.380 4.550 0.000 0.000 0.282 213 Y C -0.222 175.675 175.900 -0.005 0.000 1.192 213 Y CA 2.315 60.425 58.100 0.016 0.000 1.176 213 Y CB -1.255 37.214 38.460 0.015 0.000 0.969 213 Y HN 0.567 nan 8.280 nan 0.000 0.519 214 P HA -0.191 nan 4.420 nan 0.000 0.216 214 P C 1.232 178.553 177.300 0.035 0.000 1.153 214 P CA 2.350 65.497 63.100 0.079 0.000 0.858 214 P CB -0.260 31.476 31.700 0.060 0.000 0.789 215 S N -1.653 114.066 115.700 0.032 0.000 2.786 215 S HA 0.133 4.604 4.470 0.000 0.000 0.223 215 S C 1.469 176.014 174.600 -0.092 0.000 0.956 215 S CA 0.157 58.346 58.200 -0.018 0.000 0.961 215 S CB -1.006 62.214 63.200 0.034 0.000 0.784 215 S HN 0.140 nan 8.310 nan 0.000 0.519 216 L N -0.340 120.853 121.223 -0.050 0.000 3.284 216 L HA 0.221 4.561 4.340 0.000 0.000 0.294 216 L C -0.075 176.784 176.870 -0.018 0.000 1.183 216 L CA 0.014 54.802 54.840 -0.087 0.000 1.056 216 L CB 0.539 42.559 42.059 -0.066 0.000 1.513 216 L HN 0.143 nan 8.230 nan 0.000 0.601 217 T N -0.887 113.677 114.554 0.016 0.000 2.856 217 T HA 0.125 4.475 4.350 0.000 0.000 0.292 217 T C 0.938 175.604 174.700 -0.056 0.000 0.980 217 T CA 0.199 62.296 62.100 -0.005 0.000 1.091 217 T CB 2.396 71.261 68.868 -0.006 0.000 0.936 217 T HN -0.070 nan 8.240 nan 0.000 0.503 218 S N 1.224 116.876 115.700 -0.079 0.000 2.502 218 S HA 0.504 4.974 4.470 0.000 0.000 0.228 218 S C 0.527 175.032 174.600 -0.158 0.000 1.061 218 S CA 0.050 58.200 58.200 -0.084 0.000 0.935 218 S CB 0.198 63.376 63.200 -0.037 0.000 0.809 218 S HN 0.894 nan 8.310 nan 0.000 0.510 219 A N 0.884 123.505 122.820 -0.332 0.000 2.422 219 A HA 0.763 5.083 4.320 0.000 0.000 0.302 219 A C -0.962 176.229 177.584 -0.656 0.000 1.041 219 A CA -0.480 51.220 52.037 -0.562 0.000 0.708 219 A CB 1.523 19.947 19.000 -0.959 0.000 1.257 219 A HN 0.348 nan 8.150 nan 0.000 0.414 220 Q N 1.456 121.092 119.800 -0.272 0.000 2.331 220 Q HA 0.661 5.001 4.340 0.000 0.000 0.272 220 Q C -0.790 175.336 176.000 0.211 0.000 1.062 220 Q CA -0.397 55.397 55.803 -0.014 0.000 0.806 220 Q CB 2.047 30.782 28.738 -0.006 0.000 1.312 220 Q HN 0.786 nan 8.270 nan 0.000 0.431 221 S N 0.787 116.710 115.700 0.371 0.000 2.667 221 S HA 0.465 4.935 4.470 0.000 0.000 0.292 221 S C 0.914 175.623 174.600 0.183 0.000 1.108 221 S CA -0.104 58.292 58.200 0.327 0.000 0.992 221 S CB 0.735 64.188 63.200 0.423 0.000 1.269 221 S HN 0.844 nan 8.310 nan 0.000 0.528 222 G N 0.170 109.055 108.800 0.142 0.000 2.509 222 G HA2 -0.027 3.933 3.960 0.000 0.000 0.218 222 G HA3 -0.027 3.933 3.960 0.000 0.000 0.218 222 G C -0.099 174.814 174.900 0.022 0.000 1.124 222 G CA 0.985 46.128 45.100 0.071 0.000 0.776 222 G HN 0.749 nan 8.290 nan 0.000 0.547 223 D N -2.946 117.459 120.400 0.007 0.000 2.682 223 D HA 0.153 4.793 4.640 0.000 0.000 0.291 223 D C -0.693 175.430 176.300 -0.295 0.000 1.585 223 D CA -0.625 53.285 54.000 -0.150 0.000 0.845 223 D CB -0.337 40.324 40.800 -0.231 0.000 1.323 223 D HN 0.223 nan 8.370 nan 0.000 0.438 224 Y N 0.576 120.924 120.300 0.080 0.000 2.462 224 Y HA 0.730 5.280 4.550 0.000 0.000 0.346 224 Y C -0.055 176.009 175.900 0.273 0.000 0.976 224 Y CA -0.832 57.336 58.100 0.114 0.000 1.044 224 Y CB 2.573 41.109 38.460 0.127 0.000 1.230 224 Y HN -0.199 nan 8.280 nan 0.000 0.455 225 S N 2.250 118.161 115.700 0.353 0.000 2.595 225 S HA 0.669 5.139 4.470 0.000 0.000 0.281 225 S C -2.048 172.688 174.600 0.227 0.000 1.117 225 S CA -0.683 57.605 58.200 0.147 0.000 0.873 225 S CB 2.173 65.344 63.200 -0.049 0.000 1.108 225 S HN 0.444 nan 8.310 nan 0.000 0.477 226 L N 2.660 123.883 121.223 -0.000 0.000 2.427 226 L HA 0.595 4.935 4.340 0.000 0.000 0.264 226 L C -1.334 175.562 176.870 0.044 0.000 0.989 226 L CA -0.333 54.589 54.840 0.136 0.000 0.865 226 L CB 0.975 43.060 42.059 0.043 0.000 1.209 226 L HN 0.481 nan 8.230 nan 0.000 0.430 227 V N 5.446 125.417 119.914 0.095 0.000 2.644 227 V HA 0.462 4.582 4.120 0.000 0.000 0.295 227 V C 0.283 176.428 176.094 0.085 0.000 1.053 227 V CA -0.417 61.941 62.300 0.098 0.000 0.987 227 V CB 1.725 33.666 31.823 0.198 0.000 1.006 227 V HN 0.532 nan 8.190 nan 0.000 0.472 228 I N 3.987 124.591 120.570 0.058 0.000 2.405 228 I HA 0.332 4.502 4.170 0.000 0.000 0.280 228 I C -0.675 175.469 176.117 0.044 0.000 1.027 228 I CA -0.506 60.840 61.300 0.075 0.000 1.161 228 I CB 1.484 39.569 38.000 0.142 0.000 1.300 228 I HN 0.274 nan 8.210 nan 0.000 0.463 229 V N 5.068 125.018 119.914 0.060 0.000 2.333 229 V HA 0.612 4.733 4.120 0.000 0.000 0.274 229 V C 0.159 176.305 176.094 0.088 0.000 1.028 229 V CA -0.046 62.259 62.300 0.007 0.000 0.851 229 V CB 1.057 32.897 31.823 0.029 0.000 1.000 229 V HN 0.841 nan 8.190 nan 0.000 0.456 230 T N 2.690 117.287 114.554 0.071 0.000 2.770 230 T HA 0.422 4.773 4.350 0.000 0.000 0.323 230 T C -0.412 174.361 174.700 0.121 0.000 1.683 230 T CA 0.129 62.331 62.100 0.171 0.000 1.024 230 T CB 1.884 70.895 68.868 0.239 0.000 1.557 230 T HN 0.886 nan 8.240 nan 0.000 0.494 231 T N 0.645 115.337 114.554 0.231 0.000 2.918 231 T HA 0.552 4.902 4.350 0.000 0.000 0.283 231 T C 1.063 175.837 174.700 0.124 0.000 1.001 231 T CA -0.462 61.704 62.100 0.111 0.000 1.041 231 T CB 0.586 69.525 68.868 0.118 0.000 1.028 231 T HN 0.405 nan 8.240 nan 0.000 0.511 232 F N 1.103 121.154 119.950 0.169 0.000 2.171 232 F HA -0.037 4.490 4.527 0.000 0.000 0.300 232 F C 2.671 178.547 175.800 0.127 0.000 1.090 232 F CA 1.067 59.168 58.000 0.168 0.000 1.293 232 F CB -1.031 38.033 39.000 0.107 0.000 1.013 232 F HN 0.427 nan 8.300 nan 0.000 0.486 233 V N -0.442 119.607 119.914 0.225 0.000 2.282 233 V HA -0.333 3.787 4.120 0.000 0.000 0.249 233 V C 2.419 178.576 176.094 0.106 0.000 1.057 233 V CA 2.170 64.523 62.300 0.088 0.000 1.032 233 V CB -0.881 30.906 31.823 -0.059 0.000 0.645 233 V HN 0.363 nan 8.190 nan 0.000 0.447 234 H N -1.444 117.793 119.070 0.279 0.000 2.307 234 H HA -0.100 4.456 4.556 0.000 0.000 0.303 234 H C 2.195 177.676 175.328 0.255 0.000 1.073 234 H CA 1.816 58.045 56.048 0.301 0.000 1.338 234 H CB -0.715 29.294 29.762 0.411 0.000 1.389 234 H HN 0.499 nan 8.280 nan 0.000 0.503 235 Y N 1.774 122.219 120.300 0.242 0.000 2.228 235 Y HA -0.298 4.252 4.550 0.000 0.000 0.285 235 Y C 2.525 178.463 175.900 0.063 0.000 1.178 235 Y CA 1.268 59.406 58.100 0.062 0.000 1.202 235 Y CB -0.382 37.917 38.460 -0.268 0.000 0.974 235 Y HN 0.206 nan 8.280 nan 0.000 0.527 236 A N 0.156 123.015 122.820 0.065 0.000 1.841 236 A HA -0.245 4.075 4.320 0.000 0.000 0.214 236 A C 2.149 179.658 177.584 -0.125 0.000 1.195 236 A CA 1.777 53.790 52.037 -0.040 0.000 0.611 236 A CB -1.165 17.846 19.000 0.018 0.000 0.835 236 A HN 0.582 nan 8.150 nan 0.000 0.443 237 N N -1.606 116.976 118.700 -0.196 0.000 2.272 237 N HA -0.137 4.603 4.740 0.000 0.000 0.185 237 N C 1.173 176.456 175.510 -0.379 0.000 1.014 237 N CA 1.572 54.420 53.050 -0.336 0.000 0.870 237 N CB -0.318 37.687 38.487 -0.804 0.000 0.975 237 N HN 0.394 nan 8.380 nan 0.000 0.433 238 F N -0.609 119.129 119.950 -0.354 0.000 2.317 238 F HA 0.099 4.626 4.527 0.000 0.000 0.293 238 F C 2.378 177.764 175.800 -0.690 0.000 1.085 238 F CA 0.719 58.355 58.000 -0.607 0.000 1.390 238 F CB -0.570 38.243 39.000 -0.311 0.000 1.077 238 F HN 0.267 nan 8.300 nan 0.000 0.517 239 H N 0.412 119.205 119.070 -0.463 0.000 2.543 239 H HA -0.097 4.459 4.556 0.000 0.000 0.286 239 H C 1.427 176.574 175.328 -0.302 0.000 1.037 239 H CA 0.889 56.647 56.048 -0.483 0.000 1.250 239 H CB -0.071 29.325 29.762 -0.610 0.000 1.373 239 H HN 0.210 nan 8.280 nan 0.000 0.580 240 N N 0.262 118.852 118.700 -0.183 0.000 2.331 240 N HA -0.134 4.606 4.740 0.000 0.000 0.180 240 N C 0.785 176.290 175.510 -0.007 0.000 1.019 240 N CA 1.242 54.263 53.050 -0.050 0.000 0.881 240 N CB 0.058 38.561 38.487 0.027 0.000 0.972 240 N HN 0.656 nan 8.380 nan 0.000 0.435 241 Y N -3.783 116.489 120.300 -0.047 0.000 2.666 241 Y HA 0.426 4.976 4.550 0.000 0.000 0.260 241 Y C -0.599 175.330 175.900 0.048 0.000 1.089 241 Y CA -1.035 57.043 58.100 -0.037 0.000 1.246 241 Y CB -0.228 38.191 38.460 -0.069 0.000 1.353 241 Y HN -0.205 nan 8.280 nan 0.000 0.558 242 F N 2.203 121.891 119.950 -0.437 0.000 2.771 242 F HA 0.686 5.213 4.527 0.000 0.000 0.365 242 F C -1.492 174.089 175.800 -0.366 0.000 1.169 242 F CA -1.998 55.807 58.000 -0.324 0.000 1.093 242 F CB 1.522 40.322 39.000 -0.333 0.000 1.363 242 F HN -0.170 nan 8.300 nan 0.000 0.496 243 V N 7.613 127.146 119.914 -0.635 0.000 2.260 243 V HA 0.294 4.414 4.120 0.000 0.000 0.263 243 V C -1.997 173.762 176.094 -0.558 0.000 1.036 243 V CA -1.240 60.681 62.300 -0.631 0.000 0.874 243 V CB 0.367 31.907 31.823 -0.471 0.000 1.116 243 V HN 0.550 nan 8.190 nan 0.000 0.454 244 P HA 0.070 nan 4.420 nan 0.000 0.269 244 P C -0.113 177.070 177.300 -0.195 0.000 1.209 244 P CA -0.094 62.708 63.100 -0.496 0.000 0.776 244 P CB 0.940 32.281 31.700 -0.598 0.000 0.876 245 N N 2.450 121.113 118.700 -0.063 0.000 3.303 245 N HA 0.047 4.787 4.740 0.000 0.000 0.304 245 N C 1.395 176.943 175.510 0.063 0.000 1.302 245 N CA -0.125 52.929 53.050 0.006 0.000 1.213 245 N CB -0.627 37.881 38.487 0.036 0.000 1.481 245 N HN 0.346 nan 8.380 nan 0.000 0.546 246 L N 0.622 121.876 121.223 0.051 0.000 2.151 246 L HA -0.346 3.994 4.340 0.000 0.000 0.219 246 L C 2.257 179.226 176.870 0.164 0.000 1.083 246 L CA 1.639 56.544 54.840 0.107 0.000 0.782 246 L CB -0.391 41.703 42.059 0.059 0.000 0.891 246 L HN 0.358 nan 8.230 nan 0.000 0.439 247 K N 0.056 120.529 120.400 0.123 0.000 1.971 247 K HA -0.210 4.110 4.320 0.000 0.000 0.221 247 K C 1.787 178.496 176.600 0.183 0.000 1.050 247 K CA 2.077 58.452 56.287 0.147 0.000 0.967 247 K CB -0.453 32.105 32.500 0.098 0.000 0.733 247 K HN 0.272 nan 8.250 nan 0.000 0.445 248 D N 0.599 121.076 120.400 0.129 0.000 2.144 248 D HA -0.171 4.470 4.640 0.000 0.000 0.199 248 D C 1.795 178.169 176.300 0.124 0.000 0.984 248 D CA 1.071 55.133 54.000 0.104 0.000 0.834 248 D CB -0.226 40.620 40.800 0.077 0.000 0.955 248 D HN 0.197 nan 8.370 nan 0.000 0.465 249 M N -0.702 119.003 119.600 0.174 0.000 2.202 249 M HA -0.184 4.296 4.480 0.000 0.000 0.262 249 M C 1.799 178.232 176.300 0.222 0.000 1.063 249 M CA 1.244 56.679 55.300 0.224 0.000 1.097 249 M CB 0.004 32.766 32.600 0.271 0.000 1.382 249 M HN 0.010 nan 8.290 nan 0.000 0.413 250 F N 0.099 120.100 119.950 0.084 0.000 2.147 250 F HA -0.038 4.489 4.527 0.000 0.000 0.291 250 F C 2.262 178.070 175.800 0.013 0.000 1.093 250 F CA 1.696 59.735 58.000 0.065 0.000 1.263 250 F CB -0.727 38.354 39.000 0.135 0.000 1.036 250 F HN 0.094 nan 8.300 nan 0.000 0.481 251 S N 0.788 116.497 115.700 0.015 0.000 2.359 251 S HA -0.285 4.185 4.470 0.000 0.000 0.222 251 S C 2.140 176.624 174.600 -0.192 0.000 1.038 251 S CA 1.731 59.866 58.200 -0.108 0.000 1.051 251 S CB -0.612 62.603 63.200 0.026 0.000 0.944 251 S HN 0.347 nan 8.310 nan 0.000 0.433 252 R N 0.914 121.342 120.500 -0.120 0.000 2.139 252 R HA -0.083 4.257 4.340 0.000 0.000 0.243 252 R C 2.102 178.279 176.300 -0.205 0.000 1.145 252 R CA 1.234 57.259 56.100 -0.126 0.000 0.976 252 R CB -0.361 29.856 30.300 -0.138 0.000 0.866 252 R HN 0.423 nan 8.270 nan 0.000 0.449 253 A N -0.612 121.983 122.820 -0.374 0.000 2.235 253 A HA 0.048 4.368 4.320 0.000 0.000 0.208 253 A C 1.609 178.750 177.584 -0.737 0.000 1.172 253 A CA 0.592 52.121 52.037 -0.846 0.000 0.786 253 A CB 0.355 18.787 19.000 -0.948 0.000 0.804 253 A HN 0.181 nan 8.150 nan 0.000 0.479 254 V N -0.973 118.615 119.914 -0.544 0.000 2.840 254 V HA 0.008 4.128 4.120 0.000 0.000 0.234 254 V C 1.375 177.301 176.094 -0.280 0.000 1.159 254 V CA 1.416 63.429 62.300 -0.478 0.000 1.194 254 V CB -0.312 31.165 31.823 -0.578 0.000 0.971 254 V HN 0.558 nan 8.190 nan 0.000 0.494 255 T N 0.398 114.830 114.554 -0.204 0.000 3.414 255 T HA 0.645 4.995 4.350 0.000 0.000 0.304 255 T C -0.577 174.075 174.700 -0.079 0.000 1.241 255 T CA 0.130 62.170 62.100 -0.100 0.000 1.076 255 T CB -0.117 68.715 68.868 -0.060 0.000 1.134 255 T HN 0.289 nan 8.240 nan 0.000 0.759 256 M N 2.698 122.259 119.600 -0.064 0.000 2.363 256 M HA 0.204 4.684 4.480 0.000 0.000 0.256 256 M C -0.248 176.073 176.300 0.034 0.000 1.005 256 M CA -0.301 54.995 55.300 -0.006 0.000 0.890 256 M CB 1.820 34.428 32.600 0.014 0.000 2.101 256 M HN 0.562 nan 8.290 nan 0.000 0.476 257 T N 2.617 117.226 114.554 0.092 0.000 2.946 257 T HA 0.343 4.693 4.350 0.000 0.000 0.311 257 T C 1.223 176.026 174.700 0.172 0.000 1.063 257 T CA 0.933 63.135 62.100 0.170 0.000 1.139 257 T CB 0.957 69.956 68.868 0.219 0.000 0.994 257 T HN 0.839 nan 8.240 nan 0.000 0.547 258 A N 4.913 127.871 122.820 0.230 0.000 1.869 258 A HA -0.032 4.288 4.320 0.000 0.000 0.218 258 A C 2.778 180.384 177.584 0.037 0.000 1.203 258 A CA 2.708 54.830 52.037 0.141 0.000 0.638 258 A CB -1.665 17.467 19.000 0.220 0.000 0.831 258 A HN 1.422 nan 8.150 nan 0.000 0.450 259 A N -0.944 121.824 122.820 -0.087 0.000 1.892 259 A HA -0.133 4.188 4.320 0.000 0.000 0.218 259 A C 2.477 180.059 177.584 -0.003 0.000 1.188 259 A CA 2.400 54.358 52.037 -0.132 0.000 0.631 259 A CB -1.022 17.844 19.000 -0.223 0.000 0.822 259 A HN 0.511 nan 8.150 nan 0.000 0.447 260 S N -1.897 113.839 115.700 0.059 0.000 2.356 260 S HA -0.167 4.303 4.470 0.000 0.000 0.223 260 S C 1.864 176.549 174.600 0.141 0.000 1.032 260 S CA 1.484 59.741 58.200 0.094 0.000 1.005 260 S CB -0.589 62.671 63.200 0.100 0.000 0.867 260 S HN 0.659 nan 8.310 nan 0.000 0.449 261 Y N 2.410 122.731 120.300 0.035 0.000 2.207 261 Y HA -0.187 4.363 4.550 0.000 0.000 0.287 261 Y C 2.420 178.374 175.900 0.090 0.000 1.156 261 Y CA 0.858 59.004 58.100 0.076 0.000 1.182 261 Y CB -0.775 37.693 38.460 0.013 0.000 0.979 261 Y HN 0.226 nan 8.280 nan 0.000 0.521 262 A N 0.195 123.056 122.820 0.068 0.000 1.908 262 A HA -0.256 4.064 4.320 0.000 0.000 0.218 262 A C 2.337 179.865 177.584 -0.094 0.000 1.181 262 A CA 2.087 54.084 52.037 -0.068 0.000 0.627 262 A CB -0.755 18.163 19.000 -0.135 0.000 0.818 262 A HN 0.536 nan 8.150 nan 0.000 0.445 263 R N -2.080 118.401 120.500 -0.032 0.000 2.093 263 R HA -0.118 4.223 4.340 0.000 0.000 0.224 263 R C 2.077 178.353 176.300 -0.039 0.000 1.101 263 R CA 1.462 57.551 56.100 -0.017 0.000 0.979 263 R CB -0.570 29.755 30.300 0.041 0.000 0.877 263 R HN 0.588 nan 8.270 nan 0.000 0.441 264 Y N 0.475 120.700 120.300 -0.125 0.000 2.193 264 Y HA -0.229 4.321 4.550 0.000 0.000 0.285 264 Y C 1.632 177.420 175.900 -0.185 0.000 1.166 264 Y CA 1.804 59.815 58.100 -0.148 0.000 1.181 264 Y CB -0.355 37.990 38.460 -0.192 0.000 0.976 264 Y HN -0.092 nan 8.280 nan 0.000 0.520 265 V N 0.039 119.642 119.914 -0.518 0.000 2.346 265 V HA -0.226 3.894 4.120 0.000 0.000 0.244 265 V C 2.402 178.316 176.094 -0.300 0.000 1.037 265 V CA 1.516 63.502 62.300 -0.524 0.000 1.029 265 V CB -0.853 30.765 31.823 -0.342 0.000 0.663 265 V HN 0.485 nan 8.190 nan 0.000 0.454 266 L N 0.068 121.178 121.223 -0.189 0.000 2.043 266 L HA -0.277 4.063 4.340 0.000 0.000 0.212 266 L C 2.526 179.328 176.870 -0.113 0.000 1.075 266 L CA 2.098 56.873 54.840 -0.109 0.000 0.752 266 L CB -0.531 41.492 42.059 -0.059 0.000 0.891 266 L HN 0.371 nan 8.230 nan 0.000 0.432 267 Q N -0.909 118.808 119.800 -0.138 0.000 2.046 267 Q HA -0.244 4.096 4.340 0.000 0.000 0.200 267 Q C 2.333 178.247 176.000 -0.143 0.000 0.975 267 Q CA 1.656 57.391 55.803 -0.113 0.000 0.836 267 Q CB -0.227 28.460 28.738 -0.085 0.000 0.896 267 Q HN 0.465 nan 8.270 nan 0.000 0.428 268 K N 0.615 120.860 120.400 -0.258 0.000 2.113 268 K HA -0.160 4.160 4.320 0.000 0.000 0.208 268 K C 2.021 178.542 176.600 -0.130 0.000 1.047 268 K CA 1.025 57.169 56.287 -0.238 0.000 0.928 268 K CB -0.057 32.200 32.500 -0.406 0.000 0.716 268 K HN 0.188 nan 8.250 nan 0.000 0.446 269 L N -0.004 121.147 121.223 -0.121 0.000 2.044 269 L HA -0.162 4.178 4.340 0.000 0.000 0.205 269 L C 2.292 179.115 176.870 -0.078 0.000 1.075 269 L CA 0.712 55.505 54.840 -0.080 0.000 0.747 269 L CB -0.507 41.503 42.059 -0.080 0.000 0.903 269 L HN -0.017 nan 8.230 nan 0.000 0.435 270 V N 0.480 120.350 119.914 -0.073 0.000 2.324 270 V HA -0.330 3.790 4.120 0.000 0.000 0.250 270 V C 2.486 178.556 176.094 -0.040 0.000 1.060 270 V CA 2.026 64.293 62.300 -0.057 0.000 1.042 270 V CB -0.538 31.263 31.823 -0.037 0.000 0.650 270 V HN 0.359 nan 8.190 nan 0.000 0.450 271 L N -0.401 120.801 121.223 -0.035 0.000 1.970 271 L HA -0.172 4.169 4.340 0.000 0.000 0.212 271 L C 2.224 179.085 176.870 -0.015 0.000 1.071 271 L CA 2.003 56.833 54.840 -0.016 0.000 0.751 271 L CB -0.606 41.441 42.059 -0.018 0.000 0.889 271 L HN 0.168 nan 8.230 nan 0.000 0.432 272 L N 0.000 121.212 121.223 -0.020 0.000 2.127 272 L HA -0.230 4.110 4.340 0.000 0.000 0.211 272 L C 2.595 179.452 176.870 -0.022 0.000 1.089 272 L CA 1.850 56.687 54.840 -0.005 0.000 0.757 272 L CB -0.898 41.173 42.059 0.020 0.000 0.899 272 L HN 0.487 nan 8.230 nan 0.000 0.434 273 E N -0.673 119.496 120.200 -0.052 0.000 2.047 273 E HA -0.217 4.133 4.350 0.000 0.000 0.191 273 E C 2.205 178.778 176.600 -0.045 0.000 0.987 273 E CA 1.103 57.460 56.400 -0.072 0.000 0.799 273 E CB -0.074 29.565 29.700 -0.101 0.000 0.752 273 E HN 0.442 nan 8.360 nan 0.000 0.449 274 M N 0.091 119.676 119.600 -0.026 0.000 2.549 274 M HA -0.094 4.386 4.480 0.000 0.000 0.260 274 M C 1.500 177.802 176.300 0.004 0.000 1.076 274 M CA 1.004 56.303 55.300 -0.001 0.000 1.090 274 M CB 0.134 32.749 32.600 0.026 0.000 1.418 274 M HN -0.104 nan 8.290 nan 0.000 0.486 275 K N -0.140 120.259 120.400 -0.001 0.000 2.417 275 K HA 0.161 4.481 4.320 0.000 0.000 0.196 275 K C 1.102 177.702 176.600 -0.000 0.000 1.023 275 K CA 0.392 56.681 56.287 0.003 0.000 1.122 275 K CB 0.251 32.755 32.500 0.006 0.000 0.850 275 K HN 0.475 nan 8.250 nan 0.000 0.521 276 G N 0.908 109.703 108.800 -0.008 0.000 2.189 276 G HA2 -0.301 3.659 3.960 0.000 0.000 0.267 276 G HA3 -0.301 3.659 3.960 0.000 0.000 0.267 276 G C 0.812 175.711 174.900 -0.002 0.000 0.975 276 G CA 0.285 45.379 45.100 -0.009 0.000 0.644 276 G HN 0.477 nan 8.290 nan 0.000 0.537 277 G N -0.817 107.987 108.800 0.007 0.000 2.807 277 G HA2 0.085 4.045 3.960 0.000 0.000 0.207 277 G HA3 0.085 4.045 3.960 0.000 0.000 0.207 277 G C 1.242 176.182 174.900 0.067 0.000 1.151 277 G CA 1.482 46.607 45.100 0.042 0.000 0.800 277 G HN 0.742 nan 8.290 nan 0.000 0.523 278 c N -0.780 117.818 118.600 -0.004 0.000 2.974 278 c HA 0.417 4.987 4.570 0.000 0.000 0.282 278 c C 1.972 176.057 174.090 -0.009 0.000 1.292 278 c CA -0.363 55.937 56.329 -0.048 0.000 1.710 278 c CB -0.574 41.853 42.510 -0.137 0.000 2.036 278 c HN 0.535 nan 8.230 nan 0.000 0.629 279 R N -0.386 120.120 120.500 0.011 0.000 2.637 279 R HA 0.108 4.448 4.340 0.000 0.000 0.262 279 R C -0.056 176.252 176.300 0.013 0.000 0.959 279 R CA 0.108 56.213 56.100 0.008 0.000 1.061 279 R CB 0.414 30.709 30.300 -0.008 0.000 1.610 279 R HN 0.192 nan 8.270 nan 0.000 0.548 280 E N 1.366 121.576 120.200 0.016 0.000 4.044 280 E HA 0.216 4.567 4.350 0.000 0.000 0.216 280 E C -2.616 173.989 176.600 0.008 0.000 1.104 280 E CA -1.753 54.649 56.400 0.003 0.000 1.383 280 E CB 1.381 31.077 29.700 -0.008 0.000 1.195 280 E HN -0.025 nan 8.360 nan 0.000 0.442 281 P HA -0.113 nan 4.420 nan 0.000 0.242 281 P C -0.098 177.164 177.300 -0.064 0.000 1.116 281 P CA 0.547 63.674 63.100 0.044 0.000 0.954 281 P CB 0.016 31.746 31.700 0.049 0.000 0.908 282 E N 2.813 122.980 120.200 -0.055 0.000 2.324 282 E HA 0.105 4.456 4.350 0.000 0.000 0.271 282 E C -0.135 176.353 176.600 -0.186 0.000 1.028 282 E CA -0.028 56.308 56.400 -0.105 0.000 0.890 282 E CB 0.162 29.827 29.700 -0.058 0.000 1.004 282 E HN 0.350 nan 8.360 nan 0.000 0.431 283 L N 5.575 126.628 121.223 -0.284 0.000 2.423 283 L HA 0.210 4.550 4.340 0.000 0.000 0.249 283 L C -0.486 176.237 176.870 -0.244 0.000 1.276 283 L CA -0.297 54.281 54.840 -0.437 0.000 1.199 283 L CB -0.680 40.960 42.059 -0.699 0.000 1.407 283 L HN 0.553 nan 8.230 nan 0.000 0.410 284 D N -2.766 117.569 120.400 -0.110 0.000 2.553 284 D HA 0.295 4.935 4.640 0.000 0.000 0.249 284 D C 1.280 177.641 176.300 0.101 0.000 1.062 284 D CA -0.267 53.745 54.000 0.019 0.000 1.085 284 D CB 0.687 41.488 40.800 0.001 0.000 1.350 284 D HN 0.098 nan 8.370 nan 0.000 0.575 285 T N -2.633 112.004 114.554 0.139 0.000 2.665 285 T HA -0.292 4.058 4.350 0.000 0.000 0.268 285 T C 1.509 176.309 174.700 0.167 0.000 1.035 285 T CA 1.750 63.964 62.100 0.190 0.000 1.151 285 T CB -0.651 68.226 68.868 0.014 0.000 0.862 285 T HN 0.612 nan 8.240 nan 0.000 0.438 286 E N 0.925 121.178 120.200 0.089 0.000 2.023 286 E HA -0.191 4.159 4.350 0.000 0.000 0.196 286 E C 2.342 178.993 176.600 0.084 0.000 1.003 286 E CA 1.892 58.340 56.400 0.079 0.000 0.809 286 E CB -0.494 29.235 29.700 0.047 0.000 0.755 286 E HN 0.583 nan 8.360 nan 0.000 0.449 287 T N 1.249 115.834 114.554 0.052 0.000 2.684 287 T HA -0.175 4.175 4.350 0.000 0.000 0.267 287 T C 1.829 176.536 174.700 0.013 0.000 1.036 287 T CA 1.229 63.350 62.100 0.035 0.000 1.148 287 T CB -0.237 68.615 68.868 -0.027 0.000 0.863 287 T HN 0.067 nan 8.240 nan 0.000 0.436 288 L N 0.718 121.929 121.223 -0.020 0.000 2.093 288 L HA -0.045 4.295 4.340 0.000 0.000 0.208 288 L C 2.793 179.721 176.870 0.096 0.000 1.085 288 L CA 1.593 56.351 54.840 -0.137 0.000 0.755 288 L CB -1.073 40.689 42.059 -0.495 0.000 0.904 288 L HN 0.242 nan 8.230 nan 0.000 0.435 289 T N -1.312 113.417 114.554 0.290 0.000 2.652 289 T HA -0.229 4.121 4.350 0.000 0.000 0.267 289 T C 1.880 176.742 174.700 0.270 0.000 1.039 289 T CA 2.181 64.496 62.100 0.359 0.000 1.153 289 T CB -0.574 68.457 68.868 0.271 0.000 0.863 289 T HN 0.623 nan 8.240 nan 0.000 0.428 290 T N 1.361 116.014 114.554 0.165 0.000 2.685 290 T HA -0.217 4.133 4.350 0.000 0.000 0.268 290 T C 2.009 176.795 174.700 0.142 0.000 1.034 290 T CA 1.558 63.723 62.100 0.108 0.000 1.149 290 T CB -0.735 68.174 68.868 0.069 0.000 0.860 290 T HN 0.285 nan 8.240 nan 0.000 0.449 291 M N 0.187 119.870 119.600 0.138 0.000 2.110 291 M HA -0.001 4.480 4.480 0.000 0.000 0.257 291 M C 2.161 178.569 176.300 0.181 0.000 1.071 291 M CA 2.325 57.696 55.300 0.118 0.000 1.096 291 M CB -0.718 31.822 32.600 -0.101 0.000 1.300 291 M HN 0.297 nan 8.290 nan 0.000 0.411 292 F N 1.433 121.350 119.950 -0.055 0.000 2.120 292 F HA -0.224 4.303 4.527 0.000 0.000 0.300 292 F C 2.163 178.109 175.800 0.242 0.000 1.095 292 F CA 1.872 59.939 58.000 0.111 0.000 1.249 292 F CB -0.450 38.623 39.000 0.121 0.000 0.995 292 F HN 0.205 nan 8.300 nan 0.000 0.480 293 E N -0.407 119.856 120.200 0.104 0.000 2.153 293 E HA -0.157 4.193 4.350 0.000 0.000 0.194 293 E C 2.381 179.046 176.600 0.109 0.000 0.988 293 E CA 1.321 57.765 56.400 0.073 0.000 0.811 293 E CB -0.412 29.366 29.700 0.131 0.000 0.746 293 E HN 0.332 nan 8.360 nan 0.000 0.466 294 V N 1.764 121.761 119.914 0.138 0.000 2.407 294 V HA -0.257 3.863 4.120 0.000 0.000 0.248 294 V C 2.547 178.825 176.094 0.308 0.000 1.055 294 V CA 2.154 64.575 62.300 0.201 0.000 1.049 294 V CB -0.468 31.490 31.823 0.226 0.000 0.662 294 V HN 0.365 nan 8.190 nan 0.000 0.455 295 S N -0.801 115.050 115.700 0.252 0.000 2.414 295 S HA -0.075 4.395 4.470 0.000 0.000 0.227 295 S C 1.875 176.612 174.600 0.229 0.000 1.022 295 S CA 1.143 59.480 58.200 0.228 0.000 0.958 295 S CB -0.135 63.183 63.200 0.198 0.000 0.797 295 S HN 0.318 nan 8.310 nan 0.000 0.493 296 V N 2.426 122.387 119.914 0.079 0.000 2.515 296 V HA -0.053 4.067 4.120 0.000 0.000 0.250 296 V C 3.082 179.345 176.094 0.283 0.000 1.058 296 V CA 1.461 63.811 62.300 0.083 0.000 1.064 296 V CB -1.424 30.257 31.823 -0.238 0.000 0.675 296 V HN 0.644 nan 8.190 nan 0.000 0.461 297 A N -0.392 122.679 122.820 0.418 0.000 1.902 297 A HA -0.182 4.138 4.320 0.000 0.000 0.217 297 A C 2.032 179.696 177.584 0.135 0.000 1.181 297 A CA 1.780 54.036 52.037 0.365 0.000 0.623 297 A CB -0.660 18.455 19.000 0.191 0.000 0.818 297 A HN 0.465 nan 8.150 nan 0.000 0.443 298 F N -1.658 118.353 119.950 0.102 0.000 2.206 298 F HA -0.027 4.500 4.527 0.000 0.000 0.298 298 F C 1.979 177.850 175.800 0.119 0.000 1.090 298 F CA 1.365 59.391 58.000 0.044 0.000 1.323 298 F CB -0.503 38.514 39.000 0.029 0.000 1.028 298 F HN 0.363 nan 8.300 nan 0.000 0.492 299 F N 1.232 121.322 119.950 0.234 0.000 2.102 299 F HA -0.180 4.347 4.527 0.000 0.000 0.298 299 F C 2.309 178.238 175.800 0.215 0.000 1.105 299 F CA 1.547 59.677 58.000 0.216 0.000 1.239 299 F CB -0.581 38.529 39.000 0.183 0.000 0.991 299 F HN -0.279 nan 8.300 nan 0.000 0.474 300 K N 0.538 120.889 120.400 -0.082 0.000 2.034 300 K HA -0.174 4.146 4.320 0.000 0.000 0.214 300 K C 2.214 178.775 176.600 -0.065 0.000 1.051 300 K CA 1.832 58.013 56.287 -0.176 0.000 0.931 300 K CB -1.051 31.402 32.500 -0.078 0.000 0.715 300 K HN 0.288 nan 8.250 nan 0.000 0.446 301 V N 0.340 120.242 119.914 -0.021 0.000 2.343 301 V HA -0.208 3.912 4.120 0.000 0.000 0.247 301 V C 2.473 178.623 176.094 0.093 0.000 1.051 301 V CA 2.217 64.522 62.300 0.007 0.000 1.036 301 V CB -0.997 30.693 31.823 -0.222 0.000 0.654 301 V HN 0.465 nan 8.190 nan 0.000 0.451 302 G N -1.601 107.281 108.800 0.137 0.000 2.408 302 G HA2 -0.273 3.687 3.960 0.000 0.000 0.217 302 G HA3 -0.273 3.687 3.960 0.000 0.000 0.217 302 G C 1.551 176.574 174.900 0.205 0.000 1.150 302 G CA 0.812 46.116 45.100 0.339 0.000 0.776 302 G HN 0.611 nan 8.290 nan 0.000 0.542 303 H N 0.669 119.658 119.070 -0.135 0.000 2.524 303 H HA 0.189 4.746 4.556 0.000 0.000 0.282 303 H C 2.575 177.846 175.328 -0.096 0.000 1.016 303 H CA 0.837 56.749 56.048 -0.227 0.000 1.270 303 H CB 0.253 29.622 29.762 -0.654 0.000 1.394 303 H HN 0.348 nan 8.280 nan 0.000 0.568 304 A N 0.277 123.082 122.820 -0.026 0.000 1.855 304 A HA -0.063 4.257 4.320 0.000 0.000 0.213 304 A C 2.585 180.141 177.584 -0.048 0.000 1.195 304 A CA 1.133 53.153 52.037 -0.027 0.000 0.610 304 A CB -0.759 18.315 19.000 0.124 0.000 0.837 304 A HN 0.246 nan 8.150 nan 0.000 0.444 305 V N 0.287 120.234 119.914 0.054 0.000 2.867 305 V HA -0.128 3.992 4.120 0.000 0.000 0.260 305 V C 2.571 178.653 176.094 -0.021 0.000 1.099 305 V CA 1.595 63.929 62.300 0.058 0.000 1.122 305 V CB -1.304 30.622 31.823 0.172 0.000 0.708 305 V HN 0.612 nan 8.190 nan 0.000 0.490 306 G N -0.394 108.358 108.800 -0.080 0.000 2.404 306 G HA2 -0.135 3.825 3.960 0.000 0.000 0.213 306 G HA3 -0.135 3.825 3.960 0.000 0.000 0.213 306 G C 1.421 176.214 174.900 -0.179 0.000 1.189 306 G CA 0.322 45.335 45.100 -0.144 0.000 0.796 306 G HN 0.444 nan 8.290 nan 0.000 0.532 307 E N 0.871 120.913 120.200 -0.263 0.000 2.114 307 E HA -0.136 4.214 4.350 0.000 0.000 0.199 307 E C 1.942 178.457 176.600 -0.142 0.000 1.008 307 E CA 1.561 57.826 56.400 -0.226 0.000 0.810 307 E CB -0.767 28.786 29.700 -0.245 0.000 0.739 307 E HN 0.524 nan 8.360 nan 0.000 0.456 308 T N -0.538 113.940 114.554 -0.126 0.000 3.783 308 T HA 0.440 4.790 4.350 0.000 0.000 0.262 308 T C 0.543 175.199 174.700 -0.073 0.000 1.381 308 T CA -0.175 61.867 62.100 -0.097 0.000 1.155 308 T CB 0.070 68.875 68.868 -0.105 0.000 1.256 308 T HN 0.051 nan 8.240 nan 0.000 0.807 309 G N 1.545 110.302 108.800 -0.071 0.000 2.398 309 G HA2 0.279 4.239 3.960 0.000 0.000 0.246 309 G HA3 0.279 4.239 3.960 0.000 0.000 0.246 309 G C 0.616 175.489 174.900 -0.045 0.000 1.289 309 G CA -0.695 44.371 45.100 -0.056 0.000 0.869 309 G HN 0.591 nan 8.290 nan 0.000 0.543 310 N N -0.067 118.611 118.700 -0.037 0.000 2.714 310 N HA -0.171 4.569 4.740 0.000 0.000 0.250 310 N C 0.916 176.407 175.510 -0.032 0.000 1.117 310 N CA 1.302 54.333 53.050 -0.031 0.000 0.719 310 N CB -1.114 37.356 38.487 -0.028 0.000 1.081 310 N HN 0.886 nan 8.380 nan 0.000 0.557 311 G N -0.985 107.794 108.800 -0.037 0.000 2.890 311 G HA2 0.612 4.572 3.960 0.000 0.000 0.189 311 G HA3 0.612 4.572 3.960 0.000 0.000 0.189 311 G C -0.729 174.152 174.900 -0.032 0.000 1.342 311 G CA 0.128 45.204 45.100 -0.039 0.000 1.026 311 G HN 0.389 nan 8.290 nan 0.000 0.579 312 c N 0.324 118.902 118.600 -0.036 0.000 2.716 312 c HA 0.556 5.126 4.570 0.000 0.000 0.366 312 c C -0.378 173.696 174.090 -0.025 0.000 1.073 312 c CA -0.756 55.560 56.329 -0.022 0.000 1.260 312 c CB 0.302 42.802 42.510 -0.016 0.000 1.755 312 c HN 0.784 nan 8.230 nan 0.000 0.475 313 V N 2.773 122.688 119.914 0.002 0.000 2.432 313 V HA 0.459 4.579 4.120 0.000 0.000 0.275 313 V C 0.167 176.310 176.094 0.082 0.000 1.043 313 V CA -0.178 62.136 62.300 0.022 0.000 0.925 313 V CB 1.291 33.176 31.823 0.103 0.000 0.985 313 V HN 0.868 nan 8.190 nan 0.000 0.466 314 D N 3.044 123.498 120.400 0.090 0.000 2.488 314 D HA 0.012 4.653 4.640 0.000 0.000 0.238 314 D C 0.767 177.193 176.300 0.210 0.000 1.138 314 D CA -0.101 53.974 54.000 0.127 0.000 0.873 314 D CB 1.262 42.132 40.800 0.117 0.000 1.183 314 D HN 0.598 nan 8.370 nan 0.000 0.458 315 L N 4.468 125.793 121.223 0.171 0.000 2.131 315 L HA -0.099 4.241 4.340 0.000 0.000 0.210 315 L C 2.068 179.129 176.870 0.319 0.000 1.092 315 L CA 1.632 56.594 54.840 0.204 0.000 0.759 315 L CB -0.291 41.881 42.059 0.188 0.000 0.903 315 L HN 0.477 nan 8.230 nan 0.000 0.435 316 R N -1.475 119.225 120.500 0.333 0.000 2.081 316 R HA -0.228 4.112 4.340 0.000 0.000 0.235 316 R C 2.179 178.667 176.300 0.314 0.000 1.131 316 R CA 1.755 58.092 56.100 0.395 0.000 0.960 316 R CB -0.843 29.508 30.300 0.084 0.000 0.856 316 R HN 0.604 nan 8.270 nan 0.000 0.436 317 W N 2.236 123.617 121.300 0.134 0.000 2.335 317 W HA -0.190 4.470 4.660 0.000 0.000 0.311 317 W C 1.490 178.105 176.519 0.160 0.000 1.213 317 W CA 1.443 58.861 57.345 0.120 0.000 1.274 317 W CB -0.254 29.259 29.460 0.088 0.000 1.148 317 W HN 0.053 nan 8.180 nan 0.000 0.498 318 L N 1.217 122.568 121.223 0.214 0.000 1.994 318 L HA -0.180 4.161 4.340 0.000 0.000 0.208 318 L C 2.922 179.851 176.870 0.098 0.000 1.071 318 L CA 1.579 56.524 54.840 0.175 0.000 0.745 318 L CB -1.747 40.395 42.059 0.138 0.000 0.892 318 L HN -0.068 nan 8.230 nan 0.000 0.431 319 A N -0.087 122.774 122.820 0.069 0.000 2.032 319 A HA -0.268 4.052 4.320 0.000 0.000 0.221 319 A C 2.443 180.036 177.584 0.014 0.000 1.165 319 A CA 2.211 54.247 52.037 -0.002 0.000 0.645 319 A CB -0.443 18.486 19.000 -0.118 0.000 0.807 319 A HN 0.416 nan 8.150 nan 0.000 0.453 320 K N -1.191 119.202 120.400 -0.012 0.000 2.121 320 K HA 0.028 4.348 4.320 0.000 0.000 0.203 320 K C 2.253 178.797 176.600 -0.093 0.000 1.041 320 K CA 1.016 57.278 56.287 -0.041 0.000 0.969 320 K CB -0.048 32.394 32.500 -0.097 0.000 0.799 320 K HN 0.393 nan 8.250 nan 0.000 0.456 321 S N 0.748 116.240 115.700 -0.346 0.000 2.348 321 S HA -0.082 4.388 4.470 0.000 0.000 0.221 321 S C 1.623 176.084 174.600 -0.232 0.000 1.033 321 S CA 1.298 59.242 58.200 -0.427 0.000 1.010 321 S CB -0.369 62.388 63.200 -0.739 0.000 0.891 321 S HN 0.262 nan 8.310 nan 0.000 0.442 322 F N 0.686 120.528 119.950 -0.180 0.000 2.408 322 F HA -0.012 4.515 4.527 0.000 0.000 0.300 322 F C 1.788 177.531 175.800 -0.095 0.000 1.090 322 F CA 0.593 58.520 58.000 -0.120 0.000 1.427 322 F CB -0.268 38.697 39.000 -0.058 0.000 1.070 322 F HN 0.215 nan 8.300 nan 0.000 0.549 323 F N 1.241 121.160 119.950 -0.051 0.000 2.098 323 F HA -0.123 4.405 4.527 0.000 0.000 0.294 323 F C 2.303 178.003 175.800 -0.166 0.000 1.107 323 F CA 1.453 59.388 58.000 -0.108 0.000 1.234 323 F CB -0.561 38.371 39.000 -0.114 0.000 1.002 323 F HN -0.197 nan 8.300 nan 0.000 0.472 324 E N 0.885 120.869 120.200 -0.361 0.000 2.219 324 E HA -0.206 4.145 4.350 0.000 0.000 0.198 324 E C 2.406 178.728 176.600 -0.463 0.000 0.998 324 E CA 1.278 57.414 56.400 -0.440 0.000 0.818 324 E CB -0.564 29.012 29.700 -0.207 0.000 0.741 324 E HN 0.502 nan 8.360 nan 0.000 0.477 325 L N 0.293 121.231 121.223 -0.474 0.000 2.095 325 L HA -0.100 4.240 4.340 0.000 0.000 0.204 325 L C 2.477 179.158 176.870 -0.316 0.000 1.080 325 L CA 1.208 55.700 54.840 -0.580 0.000 0.759 325 L CB -0.541 41.055 42.059 -0.772 0.000 0.914 325 L HN 0.081 nan 8.230 nan 0.000 0.439 326 T N -0.557 113.831 114.554 -0.277 0.000 2.708 326 T HA -0.221 4.130 4.350 0.000 0.000 0.266 326 T C 1.886 176.403 174.700 -0.306 0.000 1.037 326 T CA 1.605 63.586 62.100 -0.198 0.000 1.146 326 T CB -0.378 68.386 68.868 -0.173 0.000 0.865 326 T HN 0.174 nan 8.240 nan 0.000 0.435 327 V N 1.222 120.792 119.914 -0.575 0.000 2.407 327 V HA -0.083 4.037 4.120 0.000 0.000 0.248 327 V C 2.241 178.177 176.094 -0.262 0.000 1.055 327 V CA 1.451 63.393 62.300 -0.596 0.000 1.049 327 V CB -0.499 30.799 31.823 -0.875 0.000 0.662 327 V HN 0.375 nan 8.190 nan 0.000 0.455 328 L N 0.810 121.902 121.223 -0.218 0.000 2.027 328 L HA -0.133 4.207 4.340 0.000 0.000 0.206 328 L C 2.539 179.436 176.870 0.045 0.000 1.074 328 L CA 2.684 57.483 54.840 -0.068 0.000 0.745 328 L CB -0.992 41.022 42.059 -0.076 0.000 0.898 328 L HN 0.404 nan 8.230 nan 0.000 0.433 329 K N -0.741 119.726 120.400 0.111 0.000 2.113 329 K HA -0.227 4.093 4.320 0.000 0.000 0.208 329 K C 1.661 178.281 176.600 0.033 0.000 1.047 329 K CA 1.909 58.278 56.287 0.137 0.000 0.928 329 K CB -0.229 32.371 32.500 0.167 0.000 0.716 329 K HN 0.453 nan 8.250 nan 0.000 0.446 330 D N 0.925 121.315 120.400 -0.017 0.000 2.084 330 D HA -0.182 4.458 4.640 0.000 0.000 0.196 330 D C 1.967 178.247 176.300 -0.032 0.000 0.985 330 D CA 1.209 55.191 54.000 -0.031 0.000 0.826 330 D CB -0.216 40.553 40.800 -0.051 0.000 0.978 330 D HN 0.328 nan 8.370 nan 0.000 0.456 331 I N 0.917 121.466 120.570 -0.036 0.000 2.286 331 I HA -0.233 3.937 4.170 0.000 0.000 0.248 331 I C 2.168 178.228 176.117 -0.095 0.000 1.115 331 I CA 0.915 62.177 61.300 -0.064 0.000 1.392 331 I CB 0.037 38.004 38.000 -0.055 0.000 1.065 331 I HN -0.096 nan 8.210 nan 0.000 0.418 332 I N 0.688 121.236 120.570 -0.035 0.000 2.361 332 I HA -0.205 3.966 4.170 0.000 0.000 0.251 332 I C 2.428 178.547 176.117 0.003 0.000 1.133 332 I CA 1.461 62.763 61.300 0.003 0.000 1.413 332 I CB -0.721 37.331 38.000 0.086 0.000 1.073 332 I HN 0.341 nan 8.210 nan 0.000 0.424 333 G N 0.658 109.453 108.800 -0.008 0.000 2.441 333 G HA2 -0.028 3.933 3.960 0.000 0.000 0.212 333 G HA3 -0.028 3.933 3.960 0.000 0.000 0.212 333 G C 1.661 176.544 174.900 -0.029 0.000 1.164 333 G CA 0.114 45.214 45.100 0.001 0.000 0.811 333 G HN 0.262 nan 8.290 nan 0.000 0.535 334 I N 0.232 120.766 120.570 -0.061 0.000 2.226 334 I HA -0.177 3.993 4.170 0.000 0.000 0.245 334 I C 2.838 178.888 176.117 -0.112 0.000 1.100 334 I CA 0.588 61.842 61.300 -0.076 0.000 1.374 334 I CB -0.306 37.644 38.000 -0.083 0.000 1.057 334 I HN 0.317 nan 8.210 nan 0.000 0.413 335 c N 0.132 118.609 118.600 -0.206 0.000 2.675 335 c HA -0.076 4.494 4.570 0.000 0.000 0.285 335 c C 1.086 175.030 174.090 -0.244 0.000 1.282 335 c CA 0.204 56.317 56.329 -0.360 0.000 1.708 335 c CB -0.559 41.511 42.510 -0.732 0.000 2.134 335 c HN 0.269 nan 8.230 nan 0.000 0.494 336 Y N -0.097 120.210 120.300 0.012 0.000 2.419 336 Y HA 0.471 5.021 4.550 0.000 0.000 0.328 336 Y C 1.113 177.023 175.900 0.017 0.000 1.162 336 Y CA -0.673 57.441 58.100 0.024 0.000 1.174 336 Y CB 0.258 38.748 38.460 0.050 0.000 1.228 336 Y HN 0.287 nan 8.280 nan 0.000 0.473 337 G N 0.828 109.739 108.800 0.185 0.000 3.325 337 G HA2 0.358 4.319 3.960 0.000 0.000 0.242 337 G HA3 0.358 4.319 3.960 0.000 0.000 0.242 337 G C 0.160 175.115 174.900 0.091 0.000 1.120 337 G CA 0.055 45.213 45.100 0.096 0.000 1.778 337 G HN 0.749 nan 8.290 nan 0.000 0.610 338 A N 0.434 123.332 122.820 0.129 0.000 2.316 338 A HA 0.774 5.094 4.320 0.000 0.000 0.284 338 A C 0.475 178.087 177.584 0.046 0.000 1.115 338 A CA -0.140 51.957 52.037 0.100 0.000 0.812 338 A CB 0.854 19.955 19.000 0.168 0.000 1.064 338 A HN 0.287 nan 8.150 nan 0.000 0.489 339 T N 0.252 114.817 114.554 0.017 0.000 2.924 339 T HA 0.643 4.993 4.350 0.000 0.000 0.291 339 T C -0.764 173.916 174.700 -0.033 0.000 1.045 339 T CA -0.513 61.587 62.100 0.000 0.000 1.015 339 T CB 1.637 70.514 68.868 0.014 0.000 1.103 339 T HN 0.597 nan 8.240 nan 0.000 0.496 340 V N 2.103 121.973 119.914 -0.072 0.000 2.686 340 V HA 0.740 4.861 4.120 0.000 0.000 0.306 340 V C -0.781 175.227 176.094 -0.144 0.000 1.065 340 V CA -1.011 61.182 62.300 -0.178 0.000 0.894 340 V CB 1.833 33.457 31.823 -0.333 0.000 1.004 340 V HN 1.010 nan 8.190 nan 0.000 0.424 341 K N 2.333 122.596 120.400 -0.228 0.000 2.543 341 K HA 0.738 5.058 4.320 0.000 0.000 0.255 341 K C 0.096 176.572 176.600 -0.207 0.000 0.934 341 K CA -0.149 56.016 56.287 -0.204 0.000 0.810 341 K CB 2.095 34.368 32.500 -0.378 0.000 1.315 341 K HN 1.341 nan 8.250 nan 0.000 0.433 342 G N 2.038 110.905 108.800 0.112 0.000 2.159 342 G HA2 -0.115 3.845 3.960 0.000 0.000 0.170 342 G HA3 -0.115 3.845 3.960 0.000 0.000 0.170 342 G C 0.149 174.996 174.900 -0.088 0.000 1.007 342 G CA 0.132 45.305 45.100 0.121 0.000 0.672 342 G HN 0.461 nan 8.290 nan 0.000 0.507 343 M N -0.566 119.050 119.600 0.027 0.000 2.268 343 M HA 0.346 4.826 4.480 0.000 0.000 0.355 343 M C 0.490 176.949 176.300 0.265 0.000 0.938 343 M CA 0.141 55.493 55.300 0.087 0.000 1.025 343 M CB 0.830 33.530 32.600 0.166 0.000 1.773 343 M HN 0.271 nan 8.290 nan 0.000 0.613 344 Q N 1.750 121.685 119.800 0.224 0.000 2.271 344 Q HA 0.389 4.729 4.340 0.000 0.000 0.258 344 Q C -0.285 175.802 176.000 0.145 0.000 0.936 344 Q CA -0.037 55.912 55.803 0.244 0.000 0.909 344 Q CB 1.391 30.236 28.738 0.180 0.000 1.253 344 Q HN 0.228 nan 8.270 nan 0.000 0.440 345 S N 3.673 119.410 115.700 0.061 0.000 2.474 345 S HA 0.216 4.686 4.470 0.000 0.000 0.321 345 S C 0.459 174.982 174.600 -0.128 0.000 1.080 345 S CA -0.647 57.506 58.200 -0.078 0.000 1.106 345 S CB 0.254 63.350 63.200 -0.172 0.000 0.984 345 S HN 0.754 nan 8.310 nan 0.000 0.464 346 Y N 3.454 123.706 120.300 -0.080 0.000 2.384 346 Y HA 0.136 4.686 4.550 0.000 0.000 0.289 346 Y C 1.740 177.588 175.900 -0.087 0.000 1.152 346 Y CA 1.059 59.111 58.100 -0.080 0.000 1.258 346 Y CB -1.018 37.388 38.460 -0.091 0.000 0.979 346 Y HN 0.648 nan 8.280 nan 0.000 0.549 347 G N 1.626 110.030 108.800 -0.660 0.000 2.464 347 G HA2 -0.276 3.684 3.960 0.000 0.000 0.214 347 G HA3 -0.276 3.684 3.960 0.000 0.000 0.214 347 G C 1.468 176.222 174.900 -0.244 0.000 1.218 347 G CA 1.067 45.889 45.100 -0.462 0.000 0.794 347 G HN 0.457 nan 8.290 nan 0.000 0.542 348 L N 0.938 121.995 121.223 -0.276 0.000 2.129 348 L HA -0.089 4.252 4.340 0.000 0.000 0.212 348 L C 2.575 179.340 176.870 -0.175 0.000 1.087 348 L CA 2.148 56.834 54.840 -0.257 0.000 0.757 348 L CB -0.493 41.300 42.059 -0.444 0.000 0.896 348 L HN 0.417 nan 8.230 nan 0.000 0.434 349 E N -0.859 119.263 120.200 -0.130 0.000 2.046 349 E HA -0.199 4.151 4.350 0.000 0.000 0.190 349 E C 2.335 178.916 176.600 -0.032 0.000 0.982 349 E CA 0.976 57.342 56.400 -0.055 0.000 0.800 349 E CB -0.160 29.539 29.700 -0.002 0.000 0.756 349 E HN 0.483 nan 8.360 nan 0.000 0.449 350 R N 0.506 120.995 120.500 -0.019 0.000 2.096 350 R HA -0.131 4.210 4.340 0.000 0.000 0.235 350 R C 2.467 178.756 176.300 -0.020 0.000 1.127 350 R CA 0.727 56.826 56.100 -0.002 0.000 0.968 350 R CB -0.240 30.078 30.300 0.030 0.000 0.861 350 R HN 0.099 nan 8.270 nan 0.000 0.440 351 L N 0.396 121.592 121.223 -0.044 0.000 1.994 351 L HA -0.128 4.212 4.340 0.000 0.000 0.208 351 L C 2.247 179.096 176.870 -0.035 0.000 1.071 351 L CA 2.156 56.973 54.840 -0.038 0.000 0.745 351 L CB -0.624 41.401 42.059 -0.057 0.000 0.892 351 L HN 0.134 nan 8.230 nan 0.000 0.431 352 A N -0.423 122.364 122.820 -0.055 0.000 1.908 352 A HA -0.185 4.135 4.320 0.000 0.000 0.218 352 A C 2.449 180.006 177.584 -0.045 0.000 1.181 352 A CA 2.131 54.130 52.037 -0.063 0.000 0.627 352 A CB -1.328 17.624 19.000 -0.079 0.000 0.818 352 A HN 0.630 nan 8.150 nan 0.000 0.445 353 A N -0.499 122.301 122.820 -0.033 0.000 1.865 353 A HA -0.184 4.136 4.320 0.000 0.000 0.217 353 A C 2.309 179.881 177.584 -0.019 0.000 1.191 353 A CA 2.012 54.033 52.037 -0.026 0.000 0.623 353 A CB -0.603 18.382 19.000 -0.025 0.000 0.826 353 A HN 0.540 nan 8.150 nan 0.000 0.444 354 M N -1.076 118.517 119.600 -0.011 0.000 2.086 354 M HA -0.122 4.358 4.480 0.000 0.000 0.261 354 M C 2.356 178.658 176.300 0.002 0.000 1.067 354 M CA 1.703 57.003 55.300 -0.000 0.000 1.116 354 M CB -0.527 32.078 32.600 0.009 0.000 1.348 354 M HN 0.542 nan 8.290 nan 0.000 0.407 355 L N 0.265 121.488 121.223 -0.000 0.000 2.013 355 L HA -0.282 4.058 4.340 0.000 0.000 0.212 355 L C 2.569 179.441 176.870 0.003 0.000 1.073 355 L CA 1.382 56.227 54.840 0.008 0.000 0.753 355 L CB -0.173 41.891 42.059 0.008 0.000 0.890 355 L HN 0.307 nan 8.230 nan 0.000 0.432 356 M N -0.437 119.154 119.600 -0.015 0.000 2.117 356 M HA -0.158 4.322 4.480 0.000 0.000 0.262 356 M C 2.445 178.745 176.300 0.001 0.000 1.065 356 M CA 1.794 57.086 55.300 -0.014 0.000 1.114 356 M CB -1.614 30.971 32.600 -0.026 0.000 1.361 356 M HN 0.435 nan 8.290 nan 0.000 0.408 357 A N -0.101 122.719 122.820 0.001 0.000 2.186 357 A HA -0.081 4.239 4.320 0.000 0.000 0.219 357 A C 1.503 179.095 177.584 0.012 0.000 1.159 357 A CA 1.770 53.811 52.037 0.007 0.000 0.680 357 A CB -1.083 17.919 19.000 0.005 0.000 0.787 357 A HN 0.591 nan 8.150 nan 0.000 0.467 358 T N -2.658 111.904 114.554 0.014 0.000 3.255 358 T HA 0.539 4.889 4.350 0.000 0.000 0.243 358 T C -0.532 174.182 174.700 0.024 0.000 1.057 358 T CA -0.229 61.882 62.100 0.018 0.000 1.121 358 T CB -0.137 68.742 68.868 0.019 0.000 1.104 358 T HN 0.503 nan 8.240 nan 0.000 0.571 359 V N 0.381 120.309 119.914 0.024 0.000 3.077 359 V HA 0.566 4.686 4.120 0.000 0.000 0.299 359 V C -1.275 174.838 176.094 0.031 0.000 1.276 359 V CA -1.095 61.223 62.300 0.030 0.000 0.993 359 V CB 2.372 34.214 31.823 0.033 0.000 1.076 359 V HN 0.383 nan 8.190 nan 0.000 0.434 360 K N 5.532 125.954 120.400 0.036 0.000 2.021 360 K HA 0.204 4.524 4.320 0.000 0.000 0.238 360 K C 1.149 177.775 176.600 0.043 0.000 1.149 360 K CA 0.192 56.504 56.287 0.041 0.000 1.105 360 K CB -0.000 32.528 32.500 0.047 0.000 1.246 360 K HN 0.592 nan 8.250 nan 0.000 0.307 361 M N 0.536 120.158 119.600 0.038 0.000 2.086 361 M HA -0.159 4.321 4.480 0.000 0.000 0.261 361 M C 1.430 177.753 176.300 0.038 0.000 1.067 361 M CA 1.598 56.920 55.300 0.035 0.000 1.116 361 M CB -0.531 32.090 32.600 0.034 0.000 1.348 361 M HN 0.614 nan 8.290 nan 0.000 0.407 362 E N 0.148 120.375 120.200 0.045 0.000 2.510 362 E HA -0.170 4.180 4.350 0.000 0.000 0.202 362 E C 0.967 177.601 176.600 0.057 0.000 1.072 362 E CA 0.545 56.974 56.400 0.049 0.000 0.883 362 E CB 0.169 29.902 29.700 0.055 0.000 0.818 362 E HN 0.476 nan 8.360 nan 0.000 0.548 363 E N -0.316 119.924 120.200 0.067 0.000 2.810 363 E HA 0.068 4.418 4.350 0.000 0.000 0.214 363 E C 1.331 177.972 176.600 0.068 0.000 0.980 363 E CA -0.179 56.294 56.400 0.121 0.000 1.159 363 E CB 0.348 30.147 29.700 0.166 0.000 1.047 363 E HN 0.246 nan 8.360 nan 0.000 0.484 364 L N -0.019 121.216 121.223 0.020 0.000 2.083 364 L HA -0.041 4.299 4.340 0.000 0.000 0.209 364 L C 2.093 178.950 176.870 -0.021 0.000 1.083 364 L CA 1.741 56.589 54.840 0.013 0.000 0.752 364 L CB -0.184 41.881 42.059 0.010 0.000 0.899 364 L HN 0.314 nan 8.230 nan 0.000 0.433 365 G N -1.692 107.046 108.800 -0.103 0.000 2.462 365 G HA2 -0.263 3.698 3.960 0.000 0.000 0.220 365 G HA3 -0.263 3.698 3.960 0.000 0.000 0.220 365 G C 1.169 175.972 174.900 -0.161 0.000 1.121 365 G CA 0.467 45.469 45.100 -0.162 0.000 0.758 365 G HN 0.495 nan 8.290 nan 0.000 0.559 366 H N -0.829 118.252 119.070 0.018 0.000 2.547 366 H HA 0.199 4.755 4.556 0.000 0.000 0.266 366 H C 0.886 176.223 175.328 0.013 0.000 0.988 366 H CA -0.239 55.816 56.048 0.013 0.000 1.147 366 H CB 0.123 29.891 29.762 0.010 0.000 1.365 366 H HN 0.228 nan 8.280 nan 0.000 0.589 367 L N 1.062 122.341 121.223 0.095 0.000 2.488 367 L HA 0.165 4.505 4.340 0.000 0.000 0.249 367 L C 1.183 178.083 176.870 0.049 0.000 1.151 367 L CA -0.345 54.535 54.840 0.068 0.000 0.806 367 L CB 0.872 42.964 42.059 0.054 0.000 1.261 367 L HN 0.147 nan 8.230 nan 0.000 0.484 368 T N -2.452 112.127 114.554 0.040 0.000 2.754 368 T HA 0.177 4.527 4.350 0.000 0.000 0.286 368 T C 1.047 175.764 174.700 0.028 0.000 0.997 368 T CA 0.243 62.362 62.100 0.031 0.000 0.982 368 T CB 0.459 69.342 68.868 0.024 0.000 1.027 368 T HN 0.651 nan 8.240 nan 0.000 0.529 369 T N 0.235 114.803 114.554 0.024 0.000 2.639 369 T HA -0.085 4.265 4.350 0.000 0.000 0.261 369 T C 1.780 176.494 174.700 0.023 0.000 1.053 369 T CA 1.386 63.499 62.100 0.021 0.000 1.158 369 T CB -0.556 68.325 68.868 0.021 0.000 0.863 369 T HN 0.831 nan 8.240 nan 0.000 0.413 370 E N 0.814 121.028 120.200 0.022 0.000 2.097 370 E HA -0.245 4.105 4.350 0.000 0.000 0.196 370 E C 2.072 178.698 176.600 0.044 0.000 1.000 370 E CA 1.159 57.574 56.400 0.025 0.000 0.804 370 E CB 0.022 29.727 29.700 0.009 0.000 0.740 370 E HN 0.194 nan 8.360 nan 0.000 0.454 371 K N 0.347 120.772 120.400 0.041 0.000 2.148 371 K HA -0.139 4.181 4.320 0.000 0.000 0.204 371 K C 2.155 178.814 176.600 0.098 0.000 1.050 371 K CA 0.869 57.201 56.287 0.076 0.000 0.942 371 K CB -0.283 32.248 32.500 0.052 0.000 0.724 371 K HN 0.284 nan 8.250 nan 0.000 0.446 372 Q N 0.972 120.803 119.800 0.052 0.000 2.050 372 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 372 Q C 1.801 177.802 176.000 0.002 0.000 0.980 372 Q CA 1.477 57.295 55.803 0.025 0.000 0.840 372 Q CB 0.180 28.924 28.738 0.010 0.000 0.898 372 Q HN 0.344 nan 8.270 nan 0.000 0.424 373 E N -0.450 119.752 120.200 0.002 0.000 2.012 373 E HA -0.254 4.097 4.350 0.000 0.000 0.197 373 E C 1.813 178.380 176.600 -0.056 0.000 1.007 373 E CA 1.359 57.729 56.400 -0.050 0.000 0.816 373 E CB -0.445 29.238 29.700 -0.029 0.000 0.762 373 E HN 0.379 nan 8.360 nan 0.000 0.451 374 Y N 1.569 121.811 120.300 -0.096 0.000 2.132 374 Y HA -0.368 4.182 4.550 0.000 0.000 0.280 374 Y C 2.103 177.952 175.900 -0.084 0.000 1.193 374 Y CA 1.694 59.744 58.100 -0.085 0.000 1.157 374 Y CB -0.539 37.896 38.460 -0.041 0.000 0.966 374 Y HN 0.059 nan 8.280 nan 0.000 0.511 375 A N -0.057 122.729 122.820 -0.056 0.000 1.828 375 A HA -0.187 4.134 4.320 0.000 0.000 0.215 375 A C 2.124 179.600 177.584 -0.180 0.000 1.203 375 A CA 1.993 53.958 52.037 -0.120 0.000 0.614 375 A CB -1.325 17.670 19.000 -0.009 0.000 0.844 375 A HN 0.426 nan 8.150 nan 0.000 0.445 376 L N -0.341 120.797 121.223 -0.143 0.000 2.042 376 L HA -0.155 4.185 4.340 0.000 0.000 0.210 376 L C 2.589 179.302 176.870 -0.263 0.000 1.076 376 L CA 1.939 56.684 54.840 -0.159 0.000 0.749 376 L CB -0.815 41.158 42.059 -0.142 0.000 0.893 376 L HN 0.405 nan 8.230 nan 0.000 0.432 377 R N -0.205 120.068 120.500 -0.378 0.000 2.122 377 R HA -0.238 4.103 4.340 0.000 0.000 0.236 377 R C 2.269 178.353 176.300 -0.361 0.000 1.129 377 R CA 2.399 58.152 56.100 -0.578 0.000 0.925 377 R CB -0.645 29.357 30.300 -0.497 0.000 0.850 377 R HN 0.426 nan 8.270 nan 0.000 0.431 378 L N -1.426 119.590 121.223 -0.344 0.000 2.275 378 L HA 0.128 4.468 4.340 0.000 0.000 0.215 378 L C 2.129 178.912 176.870 -0.145 0.000 1.119 378 L CA 1.807 56.495 54.840 -0.253 0.000 0.790 378 L CB -0.480 41.334 42.059 -0.408 0.000 0.919 378 L HN 0.057 nan 8.230 nan 0.000 0.443 379 A N -0.040 122.696 122.820 -0.140 0.000 2.019 379 A HA -0.126 4.194 4.320 0.000 0.000 0.219 379 A C 2.268 179.871 177.584 0.033 0.000 1.164 379 A CA 2.132 54.140 52.037 -0.047 0.000 0.644 379 A CB -1.121 17.852 19.000 -0.045 0.000 0.805 379 A HN 0.562 nan 8.150 nan 0.000 0.449 380 T N -0.558 114.005 114.554 0.015 0.000 2.851 380 T HA -0.052 4.298 4.350 0.000 0.000 0.262 380 T C 1.877 176.638 174.700 0.101 0.000 1.043 380 T CA 1.372 63.517 62.100 0.076 0.000 1.140 380 T CB -0.308 68.654 68.868 0.157 0.000 0.872 380 T HN 0.182 nan 8.240 nan 0.000 0.446 381 V N 1.379 121.343 119.914 0.084 0.000 2.407 381 V HA -0.043 4.077 4.120 0.000 0.000 0.248 381 V C 2.694 178.820 176.094 0.054 0.000 1.055 381 V CA 1.969 64.313 62.300 0.073 0.000 1.049 381 V CB -1.073 30.775 31.823 0.042 0.000 0.662 381 V HN 0.591 nan 8.190 nan 0.000 0.455 382 G N -2.319 106.505 108.800 0.040 0.000 2.939 382 G HA2 -0.132 3.828 3.960 0.000 0.000 0.210 382 G HA3 -0.132 3.828 3.960 0.000 0.000 0.210 382 G C 1.267 176.206 174.900 0.066 0.000 1.160 382 G CA 0.192 45.310 45.100 0.029 0.000 0.770 382 G HN 0.490 nan 8.290 nan 0.000 0.543 383 Y N 2.652 122.942 120.300 -0.017 0.000 2.096 383 Y HA -0.190 4.360 4.550 0.000 0.000 0.278 383 Y C 0.115 176.010 175.900 -0.009 0.000 1.192 383 Y CA 2.286 60.378 58.100 -0.015 0.000 1.143 383 Y CB -0.882 37.570 38.460 -0.013 0.000 0.963 383 Y HN 0.244 nan 8.280 nan 0.000 0.505 384 P HA -0.199 nan 4.420 nan 0.000 0.205 384 P C 1.436 178.736 177.300 -0.000 0.000 1.193 384 P CA 1.946 65.114 63.100 0.114 0.000 0.929 384 P CB -0.088 31.690 31.700 0.130 0.000 0.772 385 K N -0.607 119.803 120.400 0.017 0.000 2.228 385 K HA -0.063 4.257 4.320 0.000 0.000 0.205 385 K C 0.799 177.382 176.600 -0.028 0.000 1.045 385 K CA 1.247 57.536 56.287 0.004 0.000 0.931 385 K CB -0.498 32.022 32.500 0.033 0.000 0.727 385 K HN 0.224 nan 8.250 nan 0.000 0.458 386 A N -2.388 120.395 122.820 -0.061 0.000 2.601 386 A HA 0.554 4.874 4.320 0.000 0.000 0.291 386 A C -0.206 177.293 177.584 -0.141 0.000 1.075 386 A CA 0.021 52.012 52.037 -0.077 0.000 0.671 386 A CB 1.405 20.382 19.000 -0.038 0.000 1.277 386 A HN 0.167 nan 8.150 nan 0.000 0.417 387 G N -0.682 108.043 108.800 -0.124 0.000 2.327 387 G HA2 0.067 4.027 3.960 0.000 0.000 0.159 387 G HA3 0.067 4.027 3.960 0.000 0.000 0.159 387 G C 0.343 175.116 174.900 -0.211 0.000 1.056 387 G CA 0.228 45.235 45.100 -0.156 0.000 0.751 387 G HN 1.530 nan 8.290 nan 0.000 0.488 388 V N -1.173 118.662 119.914 -0.131 0.000 3.041 388 V HA 0.125 4.245 4.120 0.000 0.000 0.260 388 V C 1.368 177.358 176.094 -0.173 0.000 1.105 388 V CA 1.615 63.824 62.300 -0.153 0.000 1.125 388 V CB -0.329 31.453 31.823 -0.070 0.000 0.730 388 V HN 0.522 nan 8.190 nan 0.000 0.479 389 Y N -0.654 119.600 120.300 -0.077 0.000 2.768 389 Y HA 0.426 4.976 4.550 0.000 0.000 0.249 389 Y C 0.899 176.774 175.900 -0.042 0.000 1.146 389 Y CA -0.484 57.587 58.100 -0.048 0.000 1.171 389 Y CB 0.919 39.359 38.460 -0.034 0.000 1.249 389 Y HN 0.104 nan 8.280 nan 0.000 0.567 390 S N -0.360 115.372 115.700 0.053 0.000 2.554 390 S HA 0.484 4.954 4.470 0.000 0.000 0.278 390 S C 1.068 175.680 174.600 0.021 0.000 1.242 390 S CA -0.133 58.087 58.200 0.033 0.000 1.051 390 S CB 0.891 64.087 63.200 -0.008 0.000 0.986 390 S HN 0.530 nan 8.310 nan 0.000 0.502 391 G N 4.484 113.306 108.800 0.037 0.000 3.263 391 G HA2 0.182 4.142 3.960 0.000 0.000 0.246 391 G HA3 0.182 4.142 3.960 0.000 0.000 0.246 391 G C 0.818 175.738 174.900 0.034 0.000 0.982 391 G CA -0.173 44.949 45.100 0.037 0.000 1.897 391 G HN 0.756 nan 8.290 nan 0.000 0.624 392 L N -0.163 121.079 121.223 0.031 0.000 2.005 392 L HA -0.062 4.278 4.340 0.000 0.000 0.207 392 L C 2.600 179.507 176.870 0.061 0.000 1.072 392 L CA 0.832 55.702 54.840 0.050 0.000 0.744 392 L CB -0.204 41.905 42.059 0.084 0.000 0.895 392 L HN 0.312 nan 8.230 nan 0.000 0.433 393 I N 0.093 120.702 120.570 0.065 0.000 2.335 393 I HA -0.199 3.972 4.170 0.000 0.000 0.251 393 I C 2.536 178.691 176.117 0.063 0.000 1.129 393 I CA 1.474 62.803 61.300 0.048 0.000 1.402 393 I CB -1.207 36.811 38.000 0.029 0.000 1.069 393 I HN 0.193 nan 8.210 nan 0.000 0.424 394 G N 0.488 109.323 108.800 0.058 0.000 2.421 394 G HA2 -0.170 3.790 3.960 0.000 0.000 0.216 394 G HA3 -0.170 3.790 3.960 0.000 0.000 0.216 394 G C 1.855 176.795 174.900 0.066 0.000 1.171 394 G CA 0.793 45.931 45.100 0.064 0.000 0.775 394 G HN 0.500 nan 8.290 nan 0.000 0.543 395 G N 1.110 109.942 108.800 0.053 0.000 2.440 395 G HA2 0.024 3.984 3.960 0.000 0.000 0.218 395 G HA3 0.024 3.984 3.960 0.000 0.000 0.218 395 G C 2.041 176.976 174.900 0.059 0.000 1.154 395 G CA 1.524 46.649 45.100 0.042 0.000 0.767 395 G HN 0.676 nan 8.290 nan 0.000 0.552 396 A N 0.076 122.945 122.820 0.082 0.000 2.019 396 A HA 0.021 4.341 4.320 0.000 0.000 0.219 396 A C 2.497 180.240 177.584 0.265 0.000 1.164 396 A CA 2.374 54.497 52.037 0.144 0.000 0.644 396 A CB -0.613 18.446 19.000 0.097 0.000 0.805 396 A HN 0.321 nan 8.150 nan 0.000 0.449 397 T N -0.649 114.036 114.554 0.218 0.000 2.809 397 T HA -0.053 4.297 4.350 0.000 0.000 0.260 397 T C 2.283 177.026 174.700 0.071 0.000 1.039 397 T CA 1.385 63.604 62.100 0.199 0.000 1.141 397 T CB -0.284 68.688 68.868 0.174 0.000 0.869 397 T HN 0.451 nan 8.240 nan 0.000 0.437 398 S N 1.000 116.727 115.700 0.046 0.000 2.359 398 S HA -0.122 4.348 4.470 0.000 0.000 0.224 398 S C 2.247 176.820 174.600 -0.044 0.000 1.035 398 S CA 1.163 59.353 58.200 -0.015 0.000 1.018 398 S CB -0.716 62.468 63.200 -0.028 0.000 0.876 398 S HN 0.317 nan 8.310 nan 0.000 0.448 399 V N 1.867 121.772 119.914 -0.014 0.000 2.343 399 V HA -0.124 3.996 4.120 0.000 0.000 0.247 399 V C 2.072 178.155 176.094 -0.018 0.000 1.051 399 V CA 1.854 64.143 62.300 -0.019 0.000 1.036 399 V CB -0.418 31.406 31.823 0.002 0.000 0.654 399 V HN 0.467 nan 8.190 nan 0.000 0.451 400 L N -0.172 121.039 121.223 -0.021 0.000 2.027 400 L HA -0.053 4.287 4.340 0.000 0.000 0.206 400 L C 2.226 179.077 176.870 -0.032 0.000 1.074 400 L CA 2.445 57.236 54.840 -0.081 0.000 0.745 400 L CB -1.031 40.842 42.059 -0.309 0.000 0.898 400 L HN 0.388 nan 8.230 nan 0.000 0.433 401 L N -0.518 120.695 121.223 -0.017 0.000 2.021 401 L HA -0.256 4.085 4.340 0.000 0.000 0.215 401 L C 2.535 179.428 176.870 0.040 0.000 1.074 401 L CA 2.294 57.160 54.840 0.043 0.000 0.760 401 L CB -1.060 41.013 42.059 0.023 0.000 0.889 401 L HN 0.390 nan 8.230 nan 0.000 0.433 402 S N -0.350 115.340 115.700 -0.018 0.000 2.359 402 S HA -0.227 4.243 4.470 0.000 0.000 0.224 402 S C 2.095 176.714 174.600 0.031 0.000 1.035 402 S CA 1.276 59.461 58.200 -0.024 0.000 1.018 402 S CB -0.794 62.368 63.200 -0.065 0.000 0.876 402 S HN 0.707 nan 8.310 nan 0.000 0.448 403 A N 1.027 123.878 122.820 0.052 0.000 1.873 403 A HA -0.204 4.116 4.320 0.000 0.000 0.218 403 A C 2.015 179.709 177.584 0.183 0.000 1.193 403 A CA 2.052 54.148 52.037 0.099 0.000 0.629 403 A CB -1.142 17.895 19.000 0.062 0.000 0.826 403 A HN 0.570 nan 8.150 nan 0.000 0.447 404 Y N 1.429 121.735 120.300 0.011 0.000 2.145 404 Y HA -0.218 4.332 4.550 0.000 0.000 0.286 404 Y C 2.126 178.042 175.900 0.027 0.000 1.145 404 Y CA 1.722 59.836 58.100 0.022 0.000 1.148 404 Y CB -1.085 37.377 38.460 0.002 0.000 0.981 404 Y HN 0.498 nan 8.280 nan 0.000 0.507 405 N N -0.264 118.367 118.700 -0.115 0.000 2.137 405 N HA -0.218 4.522 4.740 0.000 0.000 0.190 405 N C 1.956 177.370 175.510 -0.160 0.000 1.017 405 N CA 0.815 53.722 53.050 -0.238 0.000 0.859 405 N CB -0.257 38.147 38.487 -0.139 0.000 1.002 405 N HN 0.272 nan 8.380 nan 0.000 0.428 406 R N 0.320 120.779 120.500 -0.069 0.000 2.307 406 R HA 0.038 4.378 4.340 0.000 0.000 0.199 406 R C -0.186 175.926 176.300 -0.313 0.000 1.000 406 R CA 0.672 56.687 56.100 -0.143 0.000 1.023 406 R CB 0.172 30.421 30.300 -0.084 0.000 0.908 406 R HN 0.341 nan 8.270 nan 0.000 0.473 407 H N -1.618 117.445 119.070 -0.012 0.000 2.941 407 H HA 0.294 4.850 4.556 0.000 0.000 0.344 407 H C -2.370 172.989 175.328 0.051 0.000 1.235 407 H CA -1.731 54.335 56.048 0.030 0.000 1.149 407 H CB 2.267 32.060 29.762 0.051 0.000 1.885 407 H HN -0.107 nan 8.280 nan 0.000 0.558 408 P HA 0.208 nan 4.420 nan 0.000 0.208 408 P C -0.881 176.578 177.300 0.265 0.000 1.863 408 P CA -0.277 62.936 63.100 0.189 0.000 1.037 408 P CB -0.372 31.417 31.700 0.148 0.000 1.881 409 L N 0.495 121.924 121.223 0.343 0.000 3.677 409 L HA -0.230 4.110 4.340 0.000 0.000 0.464 409 L C -0.263 176.778 176.870 0.285 0.000 1.278 409 L CA 0.764 55.772 54.840 0.280 0.000 0.806 409 L CB -2.630 39.563 42.059 0.223 0.000 1.610 409 L HN 0.334 nan 8.230 nan 0.000 0.867 410 F N -0.326 119.657 119.950 0.055 0.000 2.637 410 F HA 0.359 4.886 4.527 0.000 0.000 0.316 410 F C -1.116 174.628 175.800 -0.093 0.000 1.023 410 F CA -0.670 57.316 58.000 -0.024 0.000 1.071 410 F CB 0.852 39.840 39.000 -0.019 0.000 1.319 410 F HN 0.015 nan 8.300 nan 0.000 0.541 411 Q N 6.183 125.478 119.800 -0.841 0.000 2.245 411 Q HA 0.459 4.799 4.340 0.000 0.000 0.256 411 Q C -2.552 172.739 176.000 -1.181 0.000 0.942 411 Q CA -2.094 53.211 55.803 -0.830 0.000 0.896 411 Q CB 1.585 30.085 28.738 -0.397 0.000 1.272 411 Q HN 0.365 nan 8.270 nan 0.000 0.442 412 P HA -0.059 nan 4.420 nan 0.000 0.261 412 P C 0.844 177.899 177.300 -0.409 0.000 1.173 412 P CA 0.324 63.111 63.100 -0.521 0.000 0.760 412 P CB 0.493 32.035 31.700 -0.263 0.000 0.783 413 L N 2.694 123.746 121.223 -0.286 0.000 2.137 413 L HA -0.207 4.133 4.340 0.000 0.000 0.213 413 L C 0.904 177.464 176.870 -0.517 0.000 1.085 413 L CA 1.570 56.222 54.840 -0.313 0.000 0.760 413 L CB -0.290 41.654 42.059 -0.192 0.000 0.893 413 L HN 0.570 nan 8.230 nan 0.000 0.434 414 H N -1.593 117.453 119.070 -0.040 0.000 2.616 414 H HA 0.198 4.754 4.556 0.000 0.000 0.229 414 H C -0.324 174.988 175.328 -0.026 0.000 1.418 414 H CA -0.141 55.895 56.048 -0.020 0.000 1.248 414 H CB 0.645 30.408 29.762 0.001 0.000 1.822 414 H HN -0.034 nan 8.280 nan 0.000 0.522 415 T N -0.511 114.052 114.554 0.016 0.000 2.934 415 T HA 0.149 4.499 4.350 0.000 0.000 0.283 415 T C 1.513 176.225 174.700 0.019 0.000 1.005 415 T CA -0.263 61.838 62.100 0.002 0.000 1.041 415 T CB 1.772 70.602 68.868 -0.064 0.000 1.042 415 T HN 0.177 nan 8.240 nan 0.000 0.505 416 V N 4.925 124.853 119.914 0.023 0.000 2.490 416 V HA -0.060 4.060 4.120 0.000 0.000 0.250 416 V C 2.183 178.285 176.094 0.013 0.000 1.061 416 V CA 2.482 64.798 62.300 0.026 0.000 1.064 416 V CB -0.688 31.151 31.823 0.027 0.000 0.670 416 V HN 0.992 nan 8.190 nan 0.000 0.461 417 M N -0.544 119.057 119.600 0.001 0.000 2.349 417 M HA -0.077 4.403 4.480 0.000 0.000 0.266 417 M C 2.192 178.477 176.300 -0.025 0.000 1.076 417 M CA 1.794 57.089 55.300 -0.009 0.000 1.126 417 M CB -0.177 32.421 32.600 -0.003 0.000 1.392 417 M HN 0.335 nan 8.290 nan 0.000 0.440 418 R N 0.607 121.092 120.500 -0.025 0.000 2.083 418 R HA -0.251 4.089 4.340 0.000 0.000 0.237 418 R C 1.927 178.201 176.300 -0.042 0.000 1.137 418 R CA 2.287 58.382 56.100 -0.009 0.000 0.951 418 R CB -0.386 29.912 30.300 -0.004 0.000 0.851 418 R HN 0.419 nan 8.270 nan 0.000 0.434 419 E N -0.554 119.646 120.200 0.000 0.000 2.160 419 E HA -0.157 4.193 4.350 0.000 0.000 0.195 419 E C 1.491 178.096 176.600 0.008 0.000 0.991 419 E CA 2.250 58.677 56.400 0.046 0.000 0.810 419 E CB -0.280 29.465 29.700 0.074 0.000 0.742 419 E HN 0.433 nan 8.360 nan 0.000 0.466 420 T N 0.573 115.099 114.554 -0.046 0.000 2.643 420 T HA -0.137 4.213 4.350 0.000 0.000 0.264 420 T C 1.687 176.299 174.700 -0.146 0.000 1.045 420 T CA 1.481 63.532 62.100 -0.081 0.000 1.155 420 T CB -0.401 68.437 68.868 -0.050 0.000 0.863 420 T HN 0.088 nan 8.240 nan 0.000 0.420 421 L N 0.585 121.704 121.223 -0.173 0.000 2.129 421 L HA -0.047 4.293 4.340 0.000 0.000 0.212 421 L C 2.077 178.621 176.870 -0.544 0.000 1.087 421 L CA 1.367 56.082 54.840 -0.207 0.000 0.757 421 L CB -0.980 41.048 42.059 -0.053 0.000 0.896 421 L HN 0.225 nan 8.230 nan 0.000 0.434 422 F N 0.228 119.522 119.950 -1.094 0.000 2.113 422 F HA -0.166 4.361 4.527 0.000 0.000 0.297 422 F C 2.269 177.864 175.800 -0.341 0.000 1.103 422 F CA 1.335 58.649 58.000 -1.144 0.000 1.248 422 F CB -0.346 38.208 39.000 -0.743 0.000 0.999 422 F HN -0.021 nan 8.300 nan 0.000 0.475 423 I N 0.350 120.688 120.570 -0.387 0.000 2.226 423 I HA -0.218 3.952 4.170 0.000 0.000 0.245 423 I C 2.732 178.728 176.117 -0.202 0.000 1.100 423 I CA 1.437 62.560 61.300 -0.295 0.000 1.374 423 I CB -1.389 36.340 38.000 -0.452 0.000 1.057 423 I HN 0.320 nan 8.210 nan 0.000 0.413 424 G N 0.624 109.316 108.800 -0.180 0.000 2.408 424 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 424 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 424 G C 1.815 176.658 174.900 -0.096 0.000 1.150 424 G CA 0.952 46.005 45.100 -0.078 0.000 0.776 424 G HN 0.498 nan 8.290 nan 0.000 0.542 425 S N 0.507 116.139 115.700 -0.113 0.000 2.374 425 S HA -0.280 4.190 4.470 0.000 0.000 0.227 425 S C 2.092 176.559 174.600 -0.223 0.000 1.037 425 S CA 1.778 59.901 58.200 -0.128 0.000 1.024 425 S CB -0.860 62.392 63.200 0.086 0.000 0.861 425 S HN 0.519 nan 8.310 nan 0.000 0.456 426 H N 0.490 119.472 119.070 -0.147 0.000 2.289 426 H HA -0.032 4.524 4.556 0.000 0.000 0.296 426 H C 2.504 177.706 175.328 -0.210 0.000 1.091 426 H CA 1.702 57.655 56.048 -0.159 0.000 1.274 426 H CB -1.015 28.662 29.762 -0.141 0.000 1.364 426 H HN 0.403 nan 8.280 nan 0.000 0.490 427 V N 1.170 121.036 119.914 -0.079 0.000 2.913 427 V HA -0.136 3.984 4.120 0.000 0.000 0.260 427 V C 2.247 178.198 176.094 -0.237 0.000 1.098 427 V CA 0.881 63.060 62.300 -0.202 0.000 1.121 427 V CB -0.426 31.354 31.823 -0.071 0.000 0.714 427 V HN 0.135 nan 8.190 nan 0.000 0.487 428 V N -0.712 119.054 119.914 -0.246 0.000 2.379 428 V HA -0.082 4.038 4.120 0.000 0.000 0.243 428 V C 2.245 178.201 176.094 -0.231 0.000 1.035 428 V CA 1.583 63.695 62.300 -0.313 0.000 1.035 428 V CB -0.379 31.045 31.823 -0.664 0.000 0.673 428 V HN 0.519 nan 8.190 nan 0.000 0.457 429 L N 0.349 121.458 121.223 -0.191 0.000 1.989 429 L HA -0.172 4.168 4.340 0.000 0.000 0.211 429 L C 2.621 179.424 176.870 -0.110 0.000 1.071 429 L CA 2.070 56.844 54.840 -0.109 0.000 0.749 429 L CB -0.655 41.366 42.059 -0.063 0.000 0.890 429 L HN 0.148 nan 8.230 nan 0.000 0.431 430 R N -0.814 119.576 120.500 -0.184 0.000 2.113 430 R HA -0.276 4.065 4.340 0.000 0.000 0.244 430 R C 2.273 178.479 176.300 -0.157 0.000 1.142 430 R CA 1.955 57.910 56.100 -0.242 0.000 0.953 430 R CB -0.271 29.700 30.300 -0.550 0.000 0.860 430 R HN 0.448 nan 8.270 nan 0.000 0.438 431 E N 0.534 120.643 120.200 -0.152 0.000 2.038 431 E HA -0.181 4.170 4.350 0.000 0.000 0.195 431 E C 1.948 178.558 176.600 0.017 0.000 1.000 431 E CA 1.404 57.805 56.400 0.001 0.000 0.803 431 E CB -0.323 29.372 29.700 -0.008 0.000 0.750 431 E HN 0.287 nan 8.360 nan 0.000 0.448 432 L N 0.325 121.552 121.223 0.007 0.000 2.013 432 L HA -0.225 4.115 4.340 0.000 0.000 0.212 432 L C 2.593 179.584 176.870 0.202 0.000 1.073 432 L CA 1.565 56.483 54.840 0.130 0.000 0.753 432 L CB -0.463 41.648 42.059 0.086 0.000 0.890 432 L HN 0.086 nan 8.230 nan 0.000 0.432 433 R N -0.237 120.306 120.500 0.071 0.000 2.200 433 R HA -0.076 4.264 4.340 0.000 0.000 0.234 433 R C 0.743 177.072 176.300 0.049 0.000 1.127 433 R CA 0.652 56.768 56.100 0.026 0.000 0.989 433 R CB -0.924 29.368 30.300 -0.014 0.000 0.869 433 R HN 0.179 nan 8.270 nan 0.000 0.459 434 L N 1.692 122.986 121.223 0.118 0.000 2.470 434 L HA -0.023 4.317 4.340 0.000 0.000 0.243 434 L C 1.520 178.497 176.870 0.179 0.000 1.227 434 L CA 0.672 55.581 54.840 0.116 0.000 0.824 434 L CB 0.173 42.295 42.059 0.105 0.000 1.175 434 L HN 0.233 nan 8.230 nan 0.000 0.503 435 N N -1.242 117.532 118.700 0.124 0.000 2.177 435 N HA 0.037 4.778 4.740 0.000 0.000 0.218 435 N C -0.767 174.844 175.510 0.168 0.000 1.182 435 N CA -0.007 53.125 53.050 0.136 0.000 0.882 435 N CB 0.449 38.951 38.487 0.025 0.000 1.052 435 N HN 0.216 nan 8.380 nan 0.000 0.519 436 V N 2.450 122.436 119.914 0.121 0.000 2.320 436 V HA 0.170 4.290 4.120 0.000 0.000 0.265 436 V C 0.578 176.669 176.094 -0.005 0.000 1.048 436 V CA -0.623 61.702 62.300 0.042 0.000 0.865 436 V CB 0.150 31.960 31.823 -0.020 0.000 1.043 436 V HN 0.255 nan 8.190 nan 0.000 0.474 437 T N 1.479 116.049 114.554 0.027 0.000 3.738 437 T HA 0.101 4.451 4.350 0.000 0.000 0.231 437 T C 0.414 175.065 174.700 -0.082 0.000 0.967 437 T CA -0.197 61.875 62.100 -0.046 0.000 1.227 437 T CB -1.043 67.860 68.868 0.059 0.000 1.136 437 T HN 0.615 nan 8.240 nan 0.000 0.807 438 T N 3.700 118.171 114.554 -0.139 0.000 2.779 438 T HA 0.365 4.715 4.350 0.000 0.000 0.280 438 T C 0.379 175.014 174.700 -0.108 0.000 0.987 438 T CA -0.894 61.129 62.100 -0.129 0.000 0.966 438 T CB 1.290 70.042 68.868 -0.193 0.000 0.933 438 T HN 0.631 nan 8.240 nan 0.000 0.442 439 Q N 0.600 120.365 119.800 -0.059 0.000 2.494 439 Q HA -0.222 4.118 4.340 0.000 0.000 0.266 439 Q C 1.574 177.554 176.000 -0.034 0.000 1.053 439 Q CA 0.592 56.379 55.803 -0.027 0.000 1.029 439 Q CB -1.977 26.748 28.738 -0.022 0.000 1.423 439 Q HN 1.022 nan 8.270 nan 0.000 0.516 440 G N 1.242 110.012 108.800 -0.051 0.000 2.476 440 G HA2 -0.203 3.757 3.960 0.000 0.000 0.218 440 G HA3 -0.203 3.757 3.960 0.000 0.000 0.218 440 G C -0.945 173.960 174.900 0.009 0.000 1.164 440 G CA 1.401 46.473 45.100 -0.047 0.000 0.768 440 G HN 0.366 nan 8.290 nan 0.000 0.560 441 P HA -0.090 nan 4.420 nan 0.000 0.216 441 P C 1.536 178.869 177.300 0.055 0.000 1.153 441 P CA 1.375 64.503 63.100 0.046 0.000 0.848 441 P CB -0.072 31.657 31.700 0.048 0.000 0.787 442 N N -0.882 117.849 118.700 0.052 0.000 2.309 442 N HA -0.120 4.620 4.740 0.000 0.000 0.182 442 N C 1.540 177.103 175.510 0.087 0.000 1.018 442 N CA 0.657 53.749 53.050 0.069 0.000 0.876 442 N CB -0.687 37.836 38.487 0.060 0.000 0.972 442 N HN 0.034 nan 8.380 nan 0.000 0.434 443 L N -0.534 120.725 121.223 0.059 0.000 2.102 443 L HA 0.223 4.563 4.340 0.000 0.000 0.202 443 L C 2.110 179.042 176.870 0.104 0.000 1.076 443 L CA 1.103 55.983 54.840 0.067 0.000 0.761 443 L CB -0.563 41.489 42.059 -0.012 0.000 0.921 443 L HN 0.122 nan 8.230 nan 0.000 0.444 444 A N 0.206 123.072 122.820 0.077 0.000 1.948 444 A HA -0.275 4.045 4.320 0.000 0.000 0.220 444 A C 2.194 179.825 177.584 0.078 0.000 1.177 444 A CA 2.123 54.209 52.037 0.081 0.000 0.636 444 A CB -1.028 18.011 19.000 0.066 0.000 0.815 444 A HN 0.543 nan 8.150 nan 0.000 0.449 445 L N -1.564 119.708 121.223 0.082 0.000 2.012 445 L HA -0.183 4.157 4.340 0.000 0.000 0.210 445 L C 2.258 179.179 176.870 0.086 0.000 1.073 445 L CA 2.561 57.440 54.840 0.065 0.000 0.748 445 L CB -1.112 41.005 42.059 0.096 0.000 0.891 445 L HN 0.501 nan 8.230 nan 0.000 0.431 446 Y N 0.220 120.533 120.300 0.023 0.000 2.102 446 Y HA -0.374 4.176 4.550 0.000 0.000 0.280 446 Y C 2.631 178.533 175.900 0.002 0.000 1.178 446 Y CA 2.394 60.507 58.100 0.022 0.000 1.146 446 Y CB -0.104 38.372 38.460 0.028 0.000 0.968 446 Y HN 0.435 nan 8.280 nan 0.000 0.504 447 Q N -0.648 119.303 119.800 0.252 0.000 2.050 447 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 447 Q C 2.221 178.235 176.000 0.024 0.000 0.980 447 Q CA 1.631 57.523 55.803 0.148 0.000 0.840 447 Q CB -0.492 28.317 28.738 0.119 0.000 0.898 447 Q HN 0.498 nan 8.270 nan 0.000 0.424 448 L N 1.148 122.361 121.223 -0.016 0.000 1.990 448 L HA -0.217 4.123 4.340 0.000 0.000 0.213 448 L C 2.081 178.873 176.870 -0.131 0.000 1.072 448 L CA 1.712 56.493 54.840 -0.098 0.000 0.755 448 L CB -0.661 41.277 42.059 -0.203 0.000 0.889 448 L HN 0.188 nan 8.230 nan 0.000 0.432 449 L N -0.709 120.429 121.223 -0.143 0.000 1.970 449 L HA -0.267 4.074 4.340 0.000 0.000 0.212 449 L C 2.672 179.332 176.870 -0.350 0.000 1.071 449 L CA 1.883 56.553 54.840 -0.282 0.000 0.751 449 L CB -1.202 40.709 42.059 -0.247 0.000 0.889 449 L HN 0.510 nan 8.230 nan 0.000 0.432 450 S N -1.245 114.312 115.700 -0.239 0.000 2.387 450 S HA -0.222 4.248 4.470 0.000 0.000 0.230 450 S C 1.905 176.414 174.600 -0.151 0.000 1.035 450 S CA 1.892 59.991 58.200 -0.169 0.000 1.014 450 S CB -1.077 62.107 63.200 -0.027 0.000 0.836 450 S HN 0.405 nan 8.310 nan 0.000 0.466 451 T N 2.964 117.441 114.554 -0.127 0.000 2.652 451 T HA -0.038 4.312 4.350 0.000 0.000 0.267 451 T C 2.269 176.903 174.700 -0.111 0.000 1.039 451 T CA 1.606 63.637 62.100 -0.116 0.000 1.153 451 T CB -0.954 67.855 68.868 -0.098 0.000 0.863 451 T HN 0.639 nan 8.240 nan 0.000 0.428 452 A N 1.087 123.828 122.820 -0.133 0.000 1.908 452 A HA -0.028 4.292 4.320 0.000 0.000 0.218 452 A C 2.293 179.810 177.584 -0.112 0.000 1.181 452 A CA 1.347 53.324 52.037 -0.100 0.000 0.627 452 A CB -0.964 17.960 19.000 -0.126 0.000 0.818 452 A HN 0.486 nan 8.150 nan 0.000 0.445 453 L N -1.085 120.012 121.223 -0.209 0.000 2.265 453 L HA -0.157 4.183 4.340 0.000 0.000 0.215 453 L C 1.823 178.658 176.870 -0.058 0.000 1.117 453 L CA 0.557 55.319 54.840 -0.131 0.000 0.782 453 L CB -0.345 41.607 42.059 -0.180 0.000 0.914 453 L HN 0.549 nan 8.230 nan 0.000 0.441 454 c N 1.115 119.668 118.600 -0.079 0.000 2.694 454 c HA 0.184 4.754 4.570 0.000 0.000 0.455 454 c C 1.628 175.697 174.090 -0.035 0.000 1.293 454 c CA -0.901 55.392 56.329 -0.061 0.000 1.614 454 c CB -2.317 40.147 42.510 -0.076 0.000 2.015 454 c HN 0.453 nan 8.230 nan 0.000 0.608 455 S N 0.951 116.645 115.700 -0.010 0.000 2.624 455 S HA 0.491 4.961 4.470 0.000 0.000 0.263 455 S C 1.413 175.983 174.600 -0.050 0.000 1.287 455 S CA 0.157 58.353 58.200 -0.006 0.000 0.990 455 S CB 1.165 64.388 63.200 0.038 0.000 0.950 455 S HN 0.805 nan 8.310 nan 0.000 0.561 456 A N 0.627 123.407 122.820 -0.067 0.000 2.024 456 A HA -0.044 4.276 4.320 0.000 0.000 0.220 456 A C 2.021 179.510 177.584 -0.158 0.000 1.164 456 A CA 1.502 53.475 52.037 -0.106 0.000 0.643 456 A CB -0.966 17.969 19.000 -0.109 0.000 0.806 456 A HN 0.842 nan 8.150 nan 0.000 0.451 457 L N -0.318 120.798 121.223 -0.178 0.000 2.044 457 L HA -0.091 4.250 4.340 0.000 0.000 0.205 457 L C 2.339 178.959 176.870 -0.417 0.000 1.075 457 L CA 2.541 57.176 54.840 -0.341 0.000 0.747 457 L CB -0.547 41.288 42.059 -0.373 0.000 0.903 457 L HN 0.557 nan 8.230 nan 0.000 0.435 458 E N 0.206 120.310 120.200 -0.161 0.000 2.001 458 E HA -0.279 4.071 4.350 0.000 0.000 0.195 458 E C 2.245 178.777 176.600 -0.114 0.000 1.002 458 E CA 2.194 58.622 56.400 0.045 0.000 0.819 458 E CB -0.779 28.981 29.700 0.099 0.000 0.769 458 E HN 0.461 nan 8.360 nan 0.000 0.454 459 I N 0.021 120.496 120.570 -0.159 0.000 2.300 459 I HA -0.235 3.935 4.170 0.000 0.000 0.252 459 I C 1.942 177.873 176.117 -0.309 0.000 1.119 459 I CA 1.868 63.001 61.300 -0.278 0.000 1.384 459 I CB -0.456 37.439 38.000 -0.176 0.000 1.062 459 I HN 0.337 nan 8.210 nan 0.000 0.426 460 G N -0.098 108.560 108.800 -0.237 0.000 2.404 460 G HA2 -0.195 3.765 3.960 0.000 0.000 0.214 460 G HA3 -0.195 3.765 3.960 0.000 0.000 0.214 460 G C 1.463 176.235 174.900 -0.214 0.000 1.189 460 G CA 0.312 45.280 45.100 -0.221 0.000 0.789 460 G HN 0.313 nan 8.290 nan 0.000 0.533 461 E N 0.466 120.534 120.200 -0.220 0.000 2.110 461 E HA -0.078 4.272 4.350 0.000 0.000 0.193 461 E C 2.854 179.387 176.600 -0.111 0.000 0.988 461 E CA 0.506 56.821 56.400 -0.141 0.000 0.804 461 E CB -0.527 29.125 29.700 -0.080 0.000 0.745 461 E HN 0.263 nan 8.360 nan 0.000 0.458 462 V N 1.113 120.926 119.914 -0.168 0.000 2.332 462 V HA -0.267 3.854 4.120 0.000 0.000 0.248 462 V C 2.407 178.365 176.094 -0.226 0.000 1.055 462 V CA 1.340 63.507 62.300 -0.220 0.000 1.038 462 V CB -0.435 31.145 31.823 -0.406 0.000 0.651 462 V HN 0.160 nan 8.190 nan 0.000 0.450 463 L N -0.276 120.776 121.223 -0.285 0.000 1.994 463 L HA -0.147 4.193 4.340 0.000 0.000 0.208 463 L C 2.555 179.360 176.870 -0.108 0.000 1.071 463 L CA 2.091 56.809 54.840 -0.202 0.000 0.745 463 L CB -1.062 40.875 42.059 -0.203 0.000 0.892 463 L HN 0.309 nan 8.230 nan 0.000 0.431 464 R N -0.038 120.401 120.500 -0.102 0.000 2.112 464 R HA -0.188 4.152 4.340 0.000 0.000 0.242 464 R C 2.205 178.487 176.300 -0.030 0.000 1.137 464 R CA 2.041 58.105 56.100 -0.061 0.000 0.944 464 R CB -1.320 28.943 30.300 -0.061 0.000 0.857 464 R HN 0.370 nan 8.270 nan 0.000 0.435 465 G N 0.317 109.102 108.800 -0.025 0.000 2.440 465 G HA2 -0.231 3.729 3.960 0.000 0.000 0.218 465 G HA3 -0.231 3.729 3.960 0.000 0.000 0.218 465 G C 1.537 176.449 174.900 0.020 0.000 1.154 465 G CA 1.011 46.120 45.100 0.014 0.000 0.767 465 G HN 0.320 nan 8.290 nan 0.000 0.552 466 L N 0.628 121.851 121.223 0.000 0.000 2.012 466 L HA -0.136 4.204 4.340 0.000 0.000 0.210 466 L C 3.445 180.325 176.870 0.018 0.000 1.073 466 L CA 1.250 56.101 54.840 0.019 0.000 0.748 466 L CB -0.430 41.640 42.059 0.018 0.000 0.891 466 L HN 0.327 nan 8.230 nan 0.000 0.431 467 A N -0.163 122.659 122.820 0.002 0.000 1.877 467 A HA -0.150 4.170 4.320 0.000 0.000 0.216 467 A C 2.121 179.711 177.584 0.010 0.000 1.186 467 A CA 1.384 53.423 52.037 0.004 0.000 0.620 467 A CB -0.708 18.287 19.000 -0.009 0.000 0.822 467 A HN 0.392 nan 8.150 nan 0.000 0.443 468 L N -0.829 120.401 121.223 0.012 0.000 2.610 468 L HA 0.113 4.453 4.340 0.000 0.000 0.232 468 L C 1.664 178.551 176.870 0.029 0.000 1.149 468 L CA 0.484 55.336 54.840 0.019 0.000 0.872 468 L CB -0.409 41.662 42.059 0.020 0.000 0.992 468 L HN 0.626 nan 8.230 nan 0.000 0.447 469 G N 0.236 109.056 108.800 0.034 0.000 2.179 469 G HA2 -0.374 3.586 3.960 0.000 0.000 0.257 469 G HA3 -0.374 3.586 3.960 0.000 0.000 0.257 469 G C 0.951 175.884 174.900 0.055 0.000 1.010 469 G CA 0.771 45.896 45.100 0.041 0.000 0.736 469 G HN 0.430 nan 8.290 nan 0.000 0.513 470 T N -3.033 111.567 114.554 0.076 0.000 2.976 470 T HA 0.314 4.664 4.350 0.000 0.000 0.257 470 T C 0.845 175.666 174.700 0.200 0.000 1.051 470 T CA 1.365 63.534 62.100 0.116 0.000 1.141 470 T CB 0.404 69.364 68.868 0.152 0.000 0.881 470 T HN 0.431 nan 8.240 nan 0.000 0.461 471 E N 1.662 121.962 120.200 0.166 0.000 2.175 471 E HA 0.467 4.817 4.350 0.000 0.000 0.278 471 E C 1.091 177.749 176.600 0.098 0.000 0.969 471 E CA -0.203 56.287 56.400 0.150 0.000 0.796 471 E CB 1.827 31.549 29.700 0.037 0.000 1.104 471 E HN 0.239 nan 8.360 nan 0.000 0.395 472 S N 3.086 118.843 115.700 0.095 0.000 2.414 472 S HA 0.115 4.585 4.470 0.000 0.000 0.227 472 S C 1.512 176.155 174.600 0.072 0.000 1.022 472 S CA 0.411 58.648 58.200 0.063 0.000 0.958 472 S CB -0.374 62.849 63.200 0.038 0.000 0.797 472 S HN 1.184 nan 8.310 nan 0.000 0.493 473 G N 0.836 109.688 108.800 0.088 0.000 2.132 473 G HA2 -0.220 3.740 3.960 0.000 0.000 0.228 473 G HA3 -0.220 3.740 3.960 0.000 0.000 0.228 473 G C 0.377 175.391 174.900 0.189 0.000 1.000 473 G CA 0.328 45.524 45.100 0.159 0.000 0.693 473 G HN 0.612 nan 8.290 nan 0.000 0.515 474 L N -0.635 120.638 121.223 0.084 0.000 2.046 474 L HA 0.553 4.893 4.340 0.000 0.000 0.208 474 L C 0.945 177.921 176.870 0.176 0.000 1.077 474 L CA 2.199 57.047 54.840 0.013 0.000 0.747 474 L CB -0.184 41.748 42.059 -0.213 0.000 0.896 474 L HN 0.603 nan 8.230 nan 0.000 0.432 475 F N -1.047 118.905 119.950 0.002 0.000 2.599 475 F HA 0.599 5.126 4.527 0.000 0.000 0.311 475 F C -0.667 175.081 175.800 -0.085 0.000 1.076 475 F CA -0.315 57.755 58.000 0.116 0.000 0.937 475 F CB 1.563 40.559 39.000 -0.007 0.000 1.282 475 F HN -0.199 nan 8.300 nan 0.000 0.460 476 S N 4.541 119.224 115.700 -1.695 0.000 2.556 476 S HA 0.375 4.846 4.470 0.000 0.000 0.280 476 S C -2.556 171.195 174.600 -1.415 0.000 1.141 476 S CA -1.001 56.342 58.200 -1.429 0.000 0.883 476 S CB 1.900 64.513 63.200 -0.978 0.000 1.103 476 S HN 0.488 nan 8.310 nan 0.000 0.453 477 P HA 0.017 nan 4.420 nan 0.000 0.226 477 P C 1.254 178.393 177.300 -0.268 0.000 1.146 477 P CA 0.771 63.644 63.100 -0.378 0.000 0.773 477 P CB -0.413 31.173 31.700 -0.190 0.000 0.772 478 c N -1.774 116.614 118.600 -0.352 0.000 2.457 478 c HA -0.076 4.494 4.570 0.000 0.000 0.278 478 c C 2.477 176.509 174.090 -0.097 0.000 1.309 478 c CA 0.285 56.497 56.329 -0.195 0.000 1.735 478 c CB -2.136 40.313 42.510 -0.102 0.000 1.992 478 c HN 0.180 nan 8.230 nan 0.000 0.493 479 Y N 0.951 121.156 120.300 -0.159 0.000 2.446 479 Y HA -0.065 4.485 4.550 0.000 0.000 0.287 479 Y C 1.778 177.653 175.900 -0.043 0.000 1.159 479 Y CA 1.030 59.058 58.100 -0.121 0.000 1.297 479 Y CB -0.723 37.668 38.460 -0.115 0.000 0.974 479 Y HN 0.303 nan 8.280 nan 0.000 0.557 480 L N -1.936 119.358 121.223 0.118 0.000 3.039 480 L HA 0.186 4.526 4.340 0.000 0.000 0.269 480 L C 1.010 177.921 176.870 0.069 0.000 1.169 480 L CA -0.012 54.899 54.840 0.117 0.000 0.986 480 L CB -0.128 42.036 42.059 0.174 0.000 1.377 480 L HN -0.091 nan 8.230 nan 0.000 0.575 481 S N 0.164 115.859 115.700 -0.009 0.000 2.589 481 S HA 0.266 4.736 4.470 0.000 0.000 0.265 481 S C 0.578 175.051 174.600 -0.212 0.000 1.342 481 S CA -0.262 57.885 58.200 -0.089 0.000 1.005 481 S CB 0.485 63.607 63.200 -0.129 0.000 0.909 481 S HN 0.220 nan 8.310 nan 0.000 0.555 482 L N 0.867 121.920 121.223 -0.283 0.000 2.978 482 L HA 0.339 4.679 4.340 0.000 0.000 0.239 482 L C 1.058 177.367 176.870 -0.936 0.000 1.293 482 L CA -0.147 54.352 54.840 -0.568 0.000 1.085 482 L CB -0.270 41.726 42.059 -0.105 0.000 1.432 482 L HN 0.571 nan 8.230 nan 0.000 0.512 483 R N 1.006 121.043 120.500 -0.772 0.000 2.369 483 R HA 0.207 4.548 4.340 0.000 0.000 0.310 483 R C -0.507 175.512 176.300 -0.468 0.000 1.141 483 R CA -0.431 55.380 56.100 -0.482 0.000 1.116 483 R CB 0.218 30.391 30.300 -0.211 0.000 1.135 483 R HN 0.103 nan 8.270 nan 0.000 0.529 484 F N 1.187 121.170 119.950 0.055 0.000 2.713 484 F HA 0.134 4.661 4.527 0.000 0.000 0.294 484 F C 1.411 177.239 175.800 0.046 0.000 1.152 484 F CA -0.480 57.551 58.000 0.052 0.000 1.385 484 F CB 0.188 39.223 39.000 0.058 0.000 0.981 484 F HN 0.418 nan 8.300 nan 0.000 0.514 485 D N 0.842 121.313 120.400 0.118 0.000 2.240 485 D HA -0.029 4.611 4.640 0.000 0.000 0.206 485 D C 0.694 177.041 176.300 0.078 0.000 0.963 485 D CA 0.456 54.512 54.000 0.093 0.000 0.863 485 D CB 0.140 40.972 40.800 0.054 0.000 0.973 485 D HN 0.117 nan 8.370 nan 0.000 0.501 486 L N 1.652 122.921 121.223 0.076 0.000 2.530 486 L HA 0.357 4.697 4.340 0.000 0.000 0.273 486 L C 0.590 177.515 176.870 0.093 0.000 1.141 486 L CA -0.248 54.643 54.840 0.084 0.000 0.905 486 L CB -0.385 41.744 42.059 0.116 0.000 1.202 486 L HN 0.014 nan 8.230 nan 0.000 0.473 487 T N -0.456 114.143 114.554 0.075 0.000 2.841 487 T HA 0.530 4.881 4.350 0.000 0.000 0.276 487 T C 1.062 175.800 174.700 0.062 0.000 1.003 487 T CA -0.652 61.488 62.100 0.067 0.000 0.995 487 T CB 1.338 70.238 68.868 0.053 0.000 1.260 487 T HN 0.476 nan 8.240 nan 0.000 0.581 488 R N 0.809 121.339 120.500 0.051 0.000 2.094 488 R HA -0.134 4.207 4.340 0.000 0.000 0.239 488 R C 1.731 178.052 176.300 0.034 0.000 1.137 488 R CA 2.450 58.577 56.100 0.044 0.000 0.943 488 R CB -1.310 29.010 30.300 0.033 0.000 0.850 488 R HN 0.775 nan 8.270 nan 0.000 0.433 489 D N -0.407 120.009 120.400 0.026 0.000 2.110 489 D HA -0.133 4.507 4.640 0.000 0.000 0.202 489 D C 1.690 177.997 176.300 0.012 0.000 0.975 489 D CA 1.182 55.191 54.000 0.016 0.000 0.839 489 D CB -0.262 40.546 40.800 0.013 0.000 0.996 489 D HN 0.082 nan 8.370 nan 0.000 0.464 490 K N 1.534 121.945 120.400 0.019 0.000 2.074 490 K HA -0.137 4.183 4.320 0.000 0.000 0.209 490 K C 2.228 178.833 176.600 0.009 0.000 1.048 490 K CA 0.941 57.236 56.287 0.013 0.000 0.926 490 K CB -0.741 31.774 32.500 0.026 0.000 0.713 490 K HN 0.081 nan 8.250 nan 0.000 0.444 491 L N 0.034 121.274 121.223 0.029 0.000 2.046 491 L HA -0.120 4.220 4.340 0.000 0.000 0.208 491 L C 2.399 179.264 176.870 -0.009 0.000 1.077 491 L CA 1.049 55.905 54.840 0.027 0.000 0.747 491 L CB -0.283 41.827 42.059 0.085 0.000 0.896 491 L HN 0.224 nan 8.230 nan 0.000 0.432 492 L N -1.165 120.057 121.223 -0.002 0.000 2.265 492 L HA -0.206 4.134 4.340 0.000 0.000 0.215 492 L C 2.464 179.314 176.870 -0.033 0.000 1.117 492 L CA 0.793 55.623 54.840 -0.016 0.000 0.782 492 L CB -0.060 41.995 42.059 -0.007 0.000 0.914 492 L HN 0.267 nan 8.230 nan 0.000 0.441 493 S N -0.642 115.037 115.700 -0.034 0.000 2.357 493 S HA -0.157 4.313 4.470 0.000 0.000 0.221 493 S C 1.753 176.313 174.600 -0.067 0.000 1.031 493 S CA 1.186 59.356 58.200 -0.050 0.000 0.982 493 S CB -0.147 63.025 63.200 -0.047 0.000 0.853 493 S HN 0.272 nan 8.310 nan 0.000 0.458 494 M N 1.758 121.316 119.600 -0.070 0.000 2.358 494 M HA 0.155 4.635 4.480 0.000 0.000 0.264 494 M C 0.921 177.157 176.300 -0.106 0.000 1.064 494 M CA 0.176 55.419 55.300 -0.095 0.000 1.093 494 M CB -0.782 31.756 32.600 -0.103 0.000 1.401 494 M HN 0.229 nan 8.290 nan 0.000 0.440 495 A N 2.123 124.888 122.820 -0.092 0.000 2.561 495 A HA 0.194 4.514 4.320 0.000 0.000 0.234 495 A C -2.023 175.511 177.584 -0.084 0.000 1.055 495 A CA -0.934 51.049 52.037 -0.090 0.000 0.756 495 A CB -1.022 17.939 19.000 -0.066 0.000 0.986 495 A HN 0.220 nan 8.150 nan 0.000 0.505 496 P HA 0.073 nan 4.420 nan 0.000 0.271 496 P C -1.012 176.252 177.300 -0.059 0.000 1.220 496 P CA 0.105 63.159 63.100 -0.076 0.000 0.768 496 P CB 0.663 32.318 31.700 -0.075 0.000 0.848 497 Q N 2.993 122.759 119.800 -0.057 0.000 2.503 497 Q HA 0.308 4.648 4.340 0.000 0.000 0.227 497 Q C -0.280 175.696 176.000 -0.039 0.000 1.109 497 Q CA 0.191 55.966 55.803 -0.046 0.000 0.922 497 Q CB 0.947 29.656 28.738 -0.048 0.000 1.249 497 Q HN 0.539 nan 8.270 nan 0.000 0.530 498 E N 0.021 120.201 120.200 -0.033 0.000 2.352 498 E HA 0.415 4.765 4.350 0.000 0.000 0.280 498 E C -0.356 176.232 176.600 -0.021 0.000 0.930 498 E CA -0.441 55.942 56.400 -0.027 0.000 0.765 498 E CB 1.568 31.251 29.700 -0.028 0.000 1.219 498 E HN 0.470 nan 8.360 nan 0.000 0.434 499 A N 1.155 123.965 122.820 -0.017 0.000 2.167 499 A HA -0.038 4.282 4.320 0.000 0.000 0.214 499 A C 1.506 179.084 177.584 -0.011 0.000 1.151 499 A CA 0.996 53.026 52.037 -0.013 0.000 0.735 499 A CB -0.317 18.677 19.000 -0.011 0.000 0.802 499 A HN 0.548 nan 8.150 nan 0.000 0.467 500 T N -0.211 114.336 114.554 -0.012 0.000 3.118 500 T HA 0.239 4.589 4.350 0.000 0.000 0.260 500 T C -0.030 174.665 174.700 -0.008 0.000 1.139 500 T CA 0.493 62.587 62.100 -0.009 0.000 1.085 500 T CB -0.303 68.560 68.868 -0.009 0.000 0.934 500 T HN 0.154 nan 8.240 nan 0.000 0.518 501 L N 1.630 122.846 121.223 -0.011 0.000 2.333 501 L HA 0.419 4.759 4.340 0.000 0.000 0.280 501 L C -0.251 176.613 176.870 -0.009 0.000 1.004 501 L CA -0.969 53.865 54.840 -0.011 0.000 0.820 501 L CB 1.460 43.509 42.059 -0.017 0.000 1.247 501 L HN -0.118 nan 8.230 nan 0.000 0.416 502 D N 2.142 122.539 120.400 -0.006 0.000 2.402 502 D HA -0.031 4.609 4.640 0.000 0.000 0.268 502 D C 1.110 177.406 176.300 -0.006 0.000 1.294 502 D CA 0.329 54.327 54.000 -0.004 0.000 0.945 502 D CB 0.869 41.669 40.800 -0.000 0.000 1.112 502 D HN 0.389 nan 8.370 nan 0.000 0.517 503 Q N 3.086 122.881 119.800 -0.007 0.000 2.217 503 Q HA -0.266 4.074 4.340 0.000 0.000 0.209 503 Q C 1.727 177.724 176.000 -0.005 0.000 0.988 503 Q CA 1.633 57.431 55.803 -0.008 0.000 0.878 503 Q CB -0.266 28.467 28.738 -0.008 0.000 0.909 503 Q HN 0.696 nan 8.270 nan 0.000 0.424 504 A N 0.715 123.533 122.820 -0.002 0.000 1.872 504 A HA 0.013 4.333 4.320 0.000 0.000 0.214 504 A C 2.358 179.944 177.584 0.002 0.000 1.187 504 A CA 1.611 53.648 52.037 0.001 0.000 0.614 504 A CB -0.678 18.323 19.000 0.002 0.000 0.826 504 A HN 0.368 nan 8.150 nan 0.000 0.442 505 A N -0.293 122.528 122.820 0.002 0.000 1.908 505 A HA -0.052 4.268 4.320 0.000 0.000 0.218 505 A C 2.218 179.804 177.584 0.003 0.000 1.181 505 A CA 1.938 53.978 52.037 0.005 0.000 0.627 505 A CB -1.080 17.923 19.000 0.004 0.000 0.818 505 A HN 0.432 nan 8.150 nan 0.000 0.445 506 V N -0.360 119.552 119.914 -0.003 0.000 2.282 506 V HA -0.270 3.850 4.120 0.000 0.000 0.249 506 V C 2.780 178.874 176.094 -0.001 0.000 1.057 506 V CA 2.407 64.702 62.300 -0.009 0.000 1.032 506 V CB -1.083 30.730 31.823 -0.017 0.000 0.645 506 V HN 0.669 nan 8.190 nan 0.000 0.447 507 S N 0.314 116.015 115.700 0.002 0.000 2.365 507 S HA -0.264 4.206 4.470 0.000 0.000 0.225 507 S C 1.949 176.560 174.600 0.018 0.000 1.039 507 S CA 2.049 60.254 58.200 0.009 0.000 1.033 507 S CB -0.533 62.671 63.200 0.007 0.000 0.887 507 S HN 0.694 nan 8.310 nan 0.000 0.447 508 N N 1.729 120.440 118.700 0.018 0.000 2.104 508 N HA -0.078 4.662 4.740 0.000 0.000 0.190 508 N C 1.971 177.504 175.510 0.038 0.000 1.024 508 N CA 1.383 54.448 53.050 0.025 0.000 0.853 508 N CB -0.897 37.602 38.487 0.020 0.000 1.008 508 N HN 0.529 nan 8.380 nan 0.000 0.424 509 A N 1.238 124.078 122.820 0.033 0.000 1.865 509 A HA -0.110 4.210 4.320 0.000 0.000 0.217 509 A C 2.585 180.215 177.584 0.077 0.000 1.191 509 A CA 1.712 53.776 52.037 0.045 0.000 0.623 509 A CB -0.930 18.076 19.000 0.010 0.000 0.826 509 A HN 0.111 nan 8.150 nan 0.000 0.444 510 V N 0.703 120.648 119.914 0.052 0.000 2.332 510 V HA -0.289 3.831 4.120 0.000 0.000 0.248 510 V C 2.205 178.370 176.094 0.119 0.000 1.055 510 V CA 2.318 64.665 62.300 0.079 0.000 1.038 510 V CB -0.905 30.942 31.823 0.040 0.000 0.651 510 V HN 0.523 nan 8.190 nan 0.000 0.450 511 D N 0.559 121.006 120.400 0.079 0.000 2.097 511 D HA -0.117 4.523 4.640 0.000 0.000 0.195 511 D C 2.219 178.566 176.300 0.078 0.000 0.989 511 D CA 1.787 55.827 54.000 0.066 0.000 0.827 511 D CB -0.374 40.450 40.800 0.040 0.000 0.966 511 D HN 0.493 nan 8.370 nan 0.000 0.456 512 G N 0.568 109.421 108.800 0.089 0.000 2.459 512 G HA2 -0.297 3.663 3.960 0.000 0.000 0.217 512 G HA3 -0.297 3.663 3.960 0.000 0.000 0.217 512 G C 1.501 176.479 174.900 0.130 0.000 1.183 512 G CA 0.383 45.536 45.100 0.089 0.000 0.776 512 G HN 0.190 nan 8.290 nan 0.000 0.552 513 F N 0.988 120.958 119.950 0.033 0.000 2.065 513 F HA -0.087 4.440 4.527 0.000 0.000 0.298 513 F C 2.405 178.245 175.800 0.067 0.000 1.112 513 F CA 1.549 59.588 58.000 0.065 0.000 1.212 513 F CB -0.530 38.497 39.000 0.046 0.000 0.975 513 F HN 0.111 nan 8.300 nan 0.000 0.476 514 L N 0.445 121.738 121.223 0.117 0.000 2.081 514 L HA -0.076 4.264 4.340 0.000 0.000 0.212 514 L C 2.405 179.244 176.870 -0.053 0.000 1.080 514 L CA 2.196 57.047 54.840 0.017 0.000 0.754 514 L CB -1.465 40.636 42.059 0.070 0.000 0.893 514 L HN 0.231 nan 8.230 nan 0.000 0.433 515 G N -1.042 107.737 108.800 -0.036 0.000 2.434 515 G HA2 -0.314 3.646 3.960 0.000 0.000 0.214 515 G HA3 -0.314 3.646 3.960 0.000 0.000 0.214 515 G C 1.750 176.578 174.900 -0.121 0.000 1.202 515 G CA 0.669 45.734 45.100 -0.058 0.000 0.788 515 G HN 0.412 nan 8.290 nan 0.000 0.539 516 R N -0.148 120.256 120.500 -0.159 0.000 2.193 516 R HA 0.129 4.470 4.340 0.000 0.000 0.229 516 R C 2.403 178.466 176.300 -0.395 0.000 1.110 516 R CA 0.766 56.704 56.100 -0.270 0.000 0.988 516 R CB -0.303 29.830 30.300 -0.278 0.000 0.871 516 R HN 0.417 nan 8.270 nan 0.000 0.458 517 L N 0.262 121.284 121.223 -0.335 0.000 2.109 517 L HA -0.098 4.242 4.340 0.000 0.000 0.207 517 L C 2.080 178.864 176.870 -0.144 0.000 1.086 517 L CA 1.573 56.252 54.840 -0.268 0.000 0.760 517 L CB -0.149 41.735 42.059 -0.291 0.000 0.910 517 L HN 0.343 nan 8.230 nan 0.000 0.437 518 S N -1.284 114.350 115.700 -0.111 0.000 2.522 518 S HA -0.017 4.453 4.470 0.000 0.000 0.227 518 S C 1.643 176.200 174.600 -0.071 0.000 0.986 518 S CA 0.317 58.484 58.200 -0.055 0.000 0.929 518 S CB -0.099 63.079 63.200 -0.036 0.000 0.769 518 S HN 0.431 nan 8.310 nan 0.000 0.529 519 L N -0.026 121.124 121.223 -0.120 0.000 2.362 519 L HA 0.320 4.660 4.340 0.000 0.000 0.204 519 L C 2.775 179.566 176.870 -0.132 0.000 1.060 519 L CA 0.773 55.541 54.840 -0.119 0.000 0.827 519 L CB -0.339 41.638 42.059 -0.136 0.000 1.027 519 L HN 0.254 nan 8.230 nan 0.000 0.474 520 E N 0.811 120.884 120.200 -0.211 0.000 2.150 520 E HA -0.105 4.246 4.350 0.000 0.000 0.193 520 E C 1.024 177.567 176.600 -0.094 0.000 0.985 520 E CA 0.733 57.008 56.400 -0.208 0.000 0.814 520 E CB 0.260 29.683 29.700 -0.462 0.000 0.752 520 E HN 0.098 nan 8.360 nan 0.000 0.466 521 R N 0.446 120.909 120.500 -0.062 0.000 2.460 521 R HA 0.275 4.615 4.340 0.000 0.000 0.303 521 R C -0.655 175.665 176.300 0.033 0.000 0.968 521 R CA -0.386 55.729 56.100 0.025 0.000 0.889 521 R CB 0.889 31.240 30.300 0.085 0.000 1.123 521 R HN -0.016 nan 8.270 nan 0.000 0.455 522 E N 1.825 122.054 120.200 0.047 0.000 2.299 522 E HA 0.104 4.454 4.350 0.000 0.000 0.260 522 E C -0.622 176.015 176.600 0.062 0.000 0.944 522 E CA -0.852 55.567 56.400 0.031 0.000 0.815 522 E CB 1.502 31.198 29.700 -0.007 0.000 1.252 522 E HN 0.557 nan 8.360 nan 0.000 0.418 523 D N 0.279 120.708 120.400 0.048 0.000 2.363 523 D HA -0.045 4.595 4.640 0.000 0.000 0.226 523 D C 1.491 177.882 176.300 0.152 0.000 1.020 523 D CA 0.592 54.636 54.000 0.074 0.000 0.892 523 D CB 0.211 41.064 40.800 0.089 0.000 0.900 523 D HN 0.346 nan 8.370 nan 0.000 0.531 524 R N -0.608 119.937 120.500 0.075 0.000 2.290 524 R HA 0.113 4.453 4.340 0.000 0.000 0.197 524 R C 0.755 177.072 176.300 0.028 0.000 0.913 524 R CA 0.162 56.282 56.100 0.033 0.000 1.040 524 R CB 0.029 30.163 30.300 -0.275 0.000 0.992 524 R HN -0.156 nan 8.270 nan 0.000 0.500 525 D N 2.287 122.714 120.400 0.047 0.000 2.190 525 D HA -0.125 4.516 4.640 0.000 0.000 0.200 525 D C 1.242 177.591 176.300 0.082 0.000 0.992 525 D CA 1.829 55.873 54.000 0.073 0.000 0.854 525 D CB 0.091 40.960 40.800 0.116 0.000 0.936 525 D HN 0.487 nan 8.370 nan 0.000 0.462 526 A N -1.229 121.596 122.820 0.010 0.000 2.465 526 A HA 0.142 4.462 4.320 0.000 0.000 0.255 526 A C 0.841 178.188 177.584 -0.395 0.000 1.274 526 A CA -0.518 51.477 52.037 -0.072 0.000 0.920 526 A CB -0.620 18.409 19.000 0.048 0.000 1.033 526 A HN 0.169 nan 8.150 nan 0.000 0.516 527 W N -0.156 120.780 121.300 -0.607 0.000 2.848 527 W HA -0.021 4.640 4.660 0.000 0.000 0.241 527 W C 1.910 178.196 176.519 -0.388 0.000 1.289 527 W CA 1.121 58.078 57.345 -0.645 0.000 1.396 527 W CB -0.012 29.140 29.460 -0.514 0.000 1.138 527 W HN 0.521 nan 8.180 nan 0.000 0.677 528 H N -1.083 118.002 119.070 0.025 0.000 2.388 528 H HA 0.165 4.721 4.556 0.000 0.000 0.304 528 H C 0.915 176.265 175.328 0.037 0.000 1.049 528 H CA 0.440 56.516 56.048 0.047 0.000 1.371 528 H CB -0.717 29.072 29.762 0.045 0.000 1.436 528 H HN -0.137 nan 8.280 nan 0.000 0.544 529 L N 3.228 124.548 121.223 0.162 0.000 2.640 529 L HA -0.084 4.256 4.340 0.000 0.000 0.280 529 L C -1.122 175.820 176.870 0.119 0.000 1.229 529 L CA -0.802 54.118 54.840 0.133 0.000 0.919 529 L CB 0.221 42.367 42.059 0.146 0.000 1.168 529 L HN 0.076 nan 8.230 nan 0.000 0.496 530 P HA -0.223 nan 4.420 nan 0.000 0.216 530 P C 1.247 178.581 177.300 0.057 0.000 1.153 530 P CA 1.623 64.765 63.100 0.071 0.000 0.858 530 P CB 0.212 31.945 31.700 0.055 0.000 0.789 531 A N -2.023 120.832 122.820 0.058 0.000 2.121 531 A HA -0.197 4.123 4.320 0.000 0.000 0.218 531 A C 2.106 179.701 177.584 0.018 0.000 1.154 531 A CA 0.884 52.938 52.037 0.027 0.000 0.679 531 A CB -1.786 17.227 19.000 0.022 0.000 0.795 531 A HN 0.135 nan 8.150 nan 0.000 0.458 532 Y N 1.464 121.720 120.300 -0.075 0.000 2.139 532 Y HA -0.306 4.244 4.550 0.000 0.000 0.282 532 Y C 1.930 177.711 175.900 -0.198 0.000 1.179 532 Y CA 2.442 60.454 58.100 -0.145 0.000 1.161 532 Y CB -0.243 38.093 38.460 -0.207 0.000 0.970 532 Y HN 0.364 nan 8.280 nan 0.000 0.511 533 K N -1.145 119.212 120.400 -0.072 0.000 2.520 533 K HA -0.123 4.197 4.320 0.000 0.000 0.197 533 K C 1.342 177.839 176.600 -0.172 0.000 1.043 533 K CA 0.931 57.132 56.287 -0.143 0.000 0.944 533 K CB -0.452 32.009 32.500 -0.065 0.000 0.770 533 K HN 0.321 nan 8.250 nan 0.000 0.480 534 c N 0.577 119.071 118.600 -0.176 0.000 2.855 534 c HA 0.189 4.759 4.570 0.000 0.000 0.279 534 c C 0.432 174.414 174.090 -0.180 0.000 1.270 534 c CA -0.722 55.518 56.329 -0.149 0.000 1.702 534 c CB -0.557 41.892 42.510 -0.102 0.000 1.949 534 c HN 0.019 nan 8.230 nan 0.000 0.618 535 V N 2.050 121.800 119.914 -0.273 0.000 2.347 535 V HA 0.238 4.358 4.120 0.000 0.000 0.280 535 V C 0.237 176.186 176.094 -0.241 0.000 1.021 535 V CA -0.001 62.146 62.300 -0.256 0.000 0.847 535 V CB 1.088 32.721 31.823 -0.317 0.000 0.990 535 V HN 0.244 nan 8.190 nan 0.000 0.444 536 D N 3.098 123.400 120.400 -0.165 0.000 2.087 536 D HA -0.022 4.618 4.640 0.000 0.000 0.203 536 D C 1.183 177.409 176.300 -0.124 0.000 0.976 536 D CA 1.286 55.207 54.000 -0.132 0.000 0.865 536 D CB 0.109 40.850 40.800 -0.099 0.000 1.005 536 D HN 0.406 nan 8.370 nan 0.000 0.449 537 R N 1.950 122.391 120.500 -0.098 0.000 3.266 537 R HA 0.148 4.488 4.340 0.000 0.000 0.224 537 R C 1.306 177.552 176.300 -0.090 0.000 1.525 537 R CA -0.091 55.963 56.100 -0.076 0.000 1.364 537 R CB -0.156 30.117 30.300 -0.046 0.000 1.276 537 R HN 0.319 nan 8.270 nan 0.000 0.660 538 L N -0.599 120.544 121.223 -0.134 0.000 2.362 538 L HA -0.069 4.272 4.340 0.000 0.000 0.219 538 L C 1.444 178.247 176.870 -0.113 0.000 1.134 538 L CA 1.150 55.889 54.840 -0.169 0.000 0.807 538 L CB -0.304 41.592 42.059 -0.273 0.000 0.927 538 L HN 0.295 nan 8.230 nan 0.000 0.447 539 D N 0.742 121.099 120.400 -0.072 0.000 2.264 539 D HA -0.195 4.445 4.640 0.000 0.000 0.208 539 D C 1.003 177.296 176.300 -0.012 0.000 0.966 539 D CA 0.887 54.862 54.000 -0.042 0.000 0.864 539 D CB -0.207 40.578 40.800 -0.024 0.000 0.933 539 D HN 0.530 nan 8.370 nan 0.000 0.499 540 K N 0.976 121.374 120.400 -0.005 0.000 2.577 540 K HA 0.234 4.554 4.320 0.000 0.000 0.210 540 K C -0.308 176.321 176.600 0.048 0.000 1.048 540 K CA -0.204 56.100 56.287 0.027 0.000 1.188 540 K CB 1.537 34.057 32.500 0.034 0.000 0.910 540 K HN 0.007 nan 8.250 nan 0.000 0.483 541 V N 2.379 122.318 119.914 0.041 0.000 2.383 541 V HA 0.113 4.233 4.120 0.000 0.000 0.275 541 V C 1.428 177.624 176.094 0.171 0.000 1.036 541 V CA -0.232 62.120 62.300 0.087 0.000 0.889 541 V CB 1.140 32.990 31.823 0.046 0.000 0.985 541 V HN 0.289 nan 8.190 nan 0.000 0.459 542 L N 4.480 125.802 121.223 0.164 0.000 2.034 542 L HA 0.211 4.551 4.340 0.000 0.000 0.203 542 L C 0.758 177.756 176.870 0.213 0.000 1.074 542 L CA 1.350 56.289 54.840 0.164 0.000 0.748 542 L CB -0.070 42.046 42.059 0.095 0.000 0.905 542 L HN 0.737 nan 8.230 nan 0.000 0.439 543 M N -0.118 119.600 119.600 0.196 0.000 2.449 543 M HA 0.438 4.918 4.480 0.000 0.000 0.291 543 M C -1.777 174.627 176.300 0.173 0.000 1.148 543 M CA -0.723 54.666 55.300 0.149 0.000 0.925 543 M CB 2.366 34.975 32.600 0.016 0.000 1.767 543 M HN 0.027 nan 8.290 nan 0.000 0.503 544 I N 1.155 121.839 120.570 0.190 0.000 2.441 544 I HA 0.640 4.810 4.170 0.000 0.000 0.295 544 I C -1.205 174.992 176.117 0.133 0.000 0.994 544 I CA -0.954 60.460 61.300 0.191 0.000 1.144 544 I CB 1.708 39.855 38.000 0.244 0.000 1.314 544 I HN 0.759 nan 8.210 nan 0.000 0.445 545 I N 6.339 127.005 120.570 0.160 0.000 2.388 545 I HA 0.363 4.533 4.170 0.000 0.000 0.281 545 I C -2.440 173.754 176.117 0.129 0.000 1.046 545 I CA -1.887 59.490 61.300 0.128 0.000 1.187 545 I CB 1.177 39.273 38.000 0.159 0.000 1.351 545 I HN 0.296 nan 8.210 nan 0.000 0.472 546 P HA 0.155 nan 4.420 nan 0.000 0.269 546 P C -0.516 176.772 177.300 -0.020 0.000 1.252 546 P CA -0.065 63.056 63.100 0.035 0.000 0.780 546 P CB 0.626 32.342 31.700 0.026 0.000 0.829 547 L N 3.717 124.971 121.223 0.052 0.000 2.492 547 L HA 0.392 4.732 4.340 0.000 0.000 0.263 547 L C 1.751 178.679 176.870 0.096 0.000 1.062 547 L CA -0.554 54.334 54.840 0.081 0.000 0.817 547 L CB 0.119 42.322 42.059 0.240 0.000 1.441 547 L HN 0.261 nan 8.230 nan 0.000 0.493 548 I N 0.124 120.798 120.570 0.173 0.000 2.072 548 I HA -0.211 3.959 4.170 0.000 0.000 0.235 548 I C 1.305 177.494 176.117 0.121 0.000 1.058 548 I CA 1.273 62.670 61.300 0.161 0.000 1.320 548 I CB -0.232 37.893 38.000 0.209 0.000 1.047 548 I HN 0.612 nan 8.210 nan 0.000 0.397 549 N N 0.066 118.844 118.700 0.131 0.000 2.299 549 N HA 0.099 4.839 4.740 0.000 0.000 0.187 549 N C -0.015 175.526 175.510 0.051 0.000 1.099 549 N CA 0.412 53.517 53.050 0.091 0.000 0.867 549 N CB 1.047 39.595 38.487 0.103 0.000 0.974 549 N HN 0.306 nan 8.380 nan 0.000 0.477 550 V N -2.943 116.998 119.914 0.044 0.000 3.112 550 V HA 0.753 4.873 4.120 0.000 0.000 0.310 550 V C -0.912 175.157 176.094 -0.042 0.000 1.364 550 V CA -0.817 61.455 62.300 -0.047 0.000 1.058 550 V CB 1.598 33.324 31.823 -0.161 0.000 1.079 550 V HN 0.069 nan 8.190 nan 0.000 0.463 551 T N -1.310 113.160 114.554 -0.140 0.000 3.293 551 T HA 0.663 5.013 4.350 0.000 0.000 0.320 551 T C -1.173 173.451 174.700 -0.128 0.000 0.995 551 T CA -0.048 62.023 62.100 -0.047 0.000 1.041 551 T CB 0.634 69.507 68.868 0.009 0.000 1.058 551 T HN 0.614 nan 8.240 nan 0.000 0.453 552 F N 2.287 122.273 119.950 0.061 0.000 2.396 552 F HA 0.600 5.127 4.527 0.000 0.000 0.343 552 F C 0.643 176.486 175.800 0.072 0.000 1.104 552 F CA -1.094 56.947 58.000 0.070 0.000 1.161 552 F CB 1.022 40.064 39.000 0.070 0.000 1.146 552 F HN 0.482 nan 8.300 nan 0.000 0.522 553 I N 5.262 125.978 120.570 0.243 0.000 2.437 553 I HA 0.247 4.418 4.170 0.000 0.000 0.279 553 I C -0.952 175.279 176.117 0.189 0.000 1.028 553 I CA -0.570 60.835 61.300 0.175 0.000 1.142 553 I CB 0.913 38.967 38.000 0.091 0.000 1.266 553 I HN 0.319 nan 8.210 nan 0.000 0.461 554 I N 6.196 126.874 120.570 0.180 0.000 2.352 554 I HA 0.263 4.433 4.170 0.000 0.000 0.290 554 I C 0.574 176.774 176.117 0.138 0.000 1.036 554 I CA 0.674 62.065 61.300 0.151 0.000 1.336 554 I CB 0.956 39.020 38.000 0.106 0.000 1.407 554 I HN 0.622 nan 8.210 nan 0.000 0.497 555 S N 2.519 118.311 115.700 0.152 0.000 2.656 555 S HA 0.491 4.961 4.470 0.000 0.000 0.273 555 S C 0.071 174.781 174.600 0.183 0.000 1.168 555 S CA -0.265 58.022 58.200 0.144 0.000 0.817 555 S CB 1.384 64.658 63.200 0.123 0.000 1.146 555 S HN 0.476 nan 8.310 nan 0.000 0.475 556 S N -0.121 115.671 115.700 0.154 0.000 2.583 556 S HA 0.320 4.790 4.470 0.000 0.000 0.239 556 S C -0.352 174.432 174.600 0.307 0.000 0.966 556 S CA -0.307 57.987 58.200 0.157 0.000 0.973 556 S CB -0.965 62.273 63.200 0.063 0.000 0.794 556 S HN 0.855 nan 8.310 nan 0.000 0.463 557 D N 0.690 121.304 120.400 0.357 0.000 2.934 557 D HA 0.164 4.805 4.640 0.000 0.000 0.230 557 D C 0.097 176.346 176.300 -0.086 0.000 1.204 557 D CA -0.842 53.266 54.000 0.180 0.000 0.873 557 D CB 1.264 42.095 40.800 0.052 0.000 1.645 557 D HN 0.302 nan 8.370 nan 0.000 0.502 558 R N 0.718 120.940 120.500 -0.464 0.000 2.555 558 R HA 0.165 4.505 4.340 0.000 0.000 0.272 558 R C 0.005 176.108 176.300 -0.328 0.000 1.089 558 R CA -0.295 55.376 56.100 -0.716 0.000 1.126 558 R CB 0.062 29.760 30.300 -1.003 0.000 1.250 558 R HN 0.230 nan 8.270 nan 0.000 0.551 559 E N 0.898 120.980 120.200 -0.196 0.000 2.318 559 E HA 0.030 4.380 4.350 0.000 0.000 0.193 559 E C 0.526 177.051 176.600 -0.124 0.000 0.998 559 E CA 0.223 56.541 56.400 -0.136 0.000 0.859 559 E CB 0.213 29.855 29.700 -0.098 0.000 0.812 559 E HN 0.133 nan 8.360 nan 0.000 0.492 560 V N 3.473 123.317 119.914 -0.118 0.000 2.644 560 V HA -0.128 3.993 4.120 0.000 0.000 0.305 560 V C 1.098 177.131 176.094 -0.102 0.000 1.053 560 V CA 0.575 62.815 62.300 -0.101 0.000 1.186 560 V CB -0.045 31.737 31.823 -0.069 0.000 0.895 560 V HN 0.251 nan 8.190 nan 0.000 0.490 561 R N 3.533 123.976 120.500 -0.096 0.000 4.306 561 R HA 0.454 4.794 4.340 0.000 0.000 0.266 561 R C 0.677 176.931 176.300 -0.077 0.000 1.624 561 R CA 0.015 56.063 56.100 -0.087 0.000 1.487 561 R CB 0.078 30.330 30.300 -0.081 0.000 1.441 561 R HN 0.693 nan 8.270 nan 0.000 0.750 562 G N 0.447 109.202 108.800 -0.076 0.000 3.152 562 G HA2 -0.008 3.952 3.960 0.000 0.000 0.157 562 G HA3 -0.008 3.952 3.960 0.000 0.000 0.157 562 G C 0.438 175.296 174.900 -0.070 0.000 1.786 562 G CA -0.247 44.809 45.100 -0.073 0.000 1.055 562 G HN 0.312 nan 8.290 nan 0.000 0.528 563 S N -0.703 114.954 115.700 -0.070 0.000 2.539 563 S HA 0.613 5.083 4.470 0.000 0.000 0.226 563 S C 0.519 175.076 174.600 -0.071 0.000 1.054 563 S CA 0.486 58.649 58.200 -0.062 0.000 0.910 563 S CB 0.699 63.866 63.200 -0.055 0.000 0.818 563 S HN 0.993 nan 8.310 nan 0.000 0.490 564 A N 0.700 123.472 122.820 -0.079 0.000 2.609 564 A HA 0.785 5.106 4.320 0.000 0.000 0.291 564 A C -2.223 175.279 177.584 -0.137 0.000 1.096 564 A CA -0.559 51.397 52.037 -0.135 0.000 0.684 564 A CB 1.049 19.938 19.000 -0.186 0.000 1.282 564 A HN 0.183 nan 8.150 nan 0.000 0.412 565 L N 0.591 121.687 121.223 -0.211 0.000 2.356 565 L HA 0.774 5.114 4.340 0.000 0.000 0.277 565 L C -1.820 174.955 176.870 -0.159 0.000 0.996 565 L CA -0.243 54.518 54.840 -0.132 0.000 0.822 565 L CB 1.193 43.158 42.059 -0.157 0.000 1.256 565 L HN 0.633 nan 8.230 nan 0.000 0.413 566 Y N 2.702 123.092 120.300 0.150 0.000 2.468 566 Y HA 0.649 5.200 4.550 0.000 0.000 0.342 566 Y C -0.276 175.767 175.900 0.238 0.000 1.021 566 Y CA -0.628 57.569 58.100 0.162 0.000 1.079 566 Y CB 1.961 40.505 38.460 0.140 0.000 1.226 566 Y HN 0.595 nan 8.280 nan 0.000 0.460 567 E N 1.679 122.086 120.200 0.345 0.000 2.278 567 E HA 0.716 5.066 4.350 0.000 0.000 0.272 567 E C -1.420 175.199 176.600 0.032 0.000 0.890 567 E CA -0.819 55.670 56.400 0.149 0.000 0.770 567 E CB 1.298 31.096 29.700 0.164 0.000 1.212 567 E HN 0.787 nan 8.360 nan 0.000 0.415 568 A N 2.276 125.032 122.820 -0.106 0.000 2.386 568 A HA 0.218 4.538 4.320 0.000 0.000 0.246 568 A C 1.061 178.606 177.584 -0.066 0.000 1.089 568 A CA 0.395 52.358 52.037 -0.123 0.000 0.790 568 A CB 0.436 19.189 19.000 -0.411 0.000 1.042 568 A HN 0.806 nan 8.150 nan 0.000 0.497 569 S N -0.146 115.553 115.700 -0.001 0.000 2.453 569 S HA -0.022 4.448 4.470 0.000 0.000 0.231 569 S C 1.061 175.701 174.600 0.067 0.000 1.005 569 S CA 1.013 59.227 58.200 0.025 0.000 0.949 569 S CB -0.626 62.584 63.200 0.017 0.000 0.774 569 S HN 0.933 nan 8.310 nan 0.000 0.510 570 T N 2.833 117.458 114.554 0.118 0.000 2.901 570 T HA 0.324 4.674 4.350 0.000 0.000 0.301 570 T C 0.851 175.592 174.700 0.068 0.000 1.012 570 T CA 0.584 62.801 62.100 0.196 0.000 1.135 570 T CB 0.675 69.728 68.868 0.308 0.000 0.936 570 T HN 0.470 nan 8.240 nan 0.000 0.539 571 T N 2.044 116.647 114.554 0.082 0.000 3.144 571 T HA 0.181 4.531 4.350 0.000 0.000 0.290 571 T C 1.192 175.877 174.700 -0.025 0.000 0.966 571 T CA -0.365 61.722 62.100 -0.022 0.000 0.907 571 T CB -0.461 68.365 68.868 -0.069 0.000 1.152 571 T HN 0.623 nan 8.240 nan 0.000 0.532 572 Y N 1.982 122.283 120.300 0.001 0.000 2.207 572 Y HA 0.119 4.669 4.550 0.000 0.000 0.287 572 Y C 1.128 177.020 175.900 -0.014 0.000 1.156 572 Y CA 0.502 58.604 58.100 0.003 0.000 1.182 572 Y CB -0.539 37.932 38.460 0.019 0.000 0.979 572 Y HN 0.216 nan 8.280 nan 0.000 0.521 573 L N -0.839 120.462 121.223 0.130 0.000 2.473 573 L HA -0.054 4.286 4.340 0.000 0.000 0.265 573 L C 1.678 178.557 176.870 0.015 0.000 1.243 573 L CA 0.551 55.423 54.840 0.053 0.000 0.822 573 L CB -0.011 42.054 42.059 0.010 0.000 1.101 573 L HN -0.080 nan 8.230 nan 0.000 0.507 574 S N -1.009 114.696 115.700 0.008 0.000 2.351 574 S HA -0.121 4.349 4.470 0.000 0.000 0.220 574 S C 0.921 175.513 174.600 -0.012 0.000 1.035 574 S CA 1.527 59.727 58.200 0.000 0.000 1.031 574 S CB -0.180 63.024 63.200 0.006 0.000 0.928 574 S HN 0.676 nan 8.310 nan 0.000 0.433 575 S N 0.227 115.915 115.700 -0.020 0.000 2.667 575 S HA 0.568 5.038 4.470 0.000 0.000 0.292 575 S C 0.219 174.759 174.600 -0.100 0.000 1.108 575 S CA -0.816 57.363 58.200 -0.034 0.000 0.992 575 S CB 1.141 64.339 63.200 -0.004 0.000 1.269 575 S HN 0.304 nan 8.310 nan 0.000 0.528 576 S N 0.545 116.133 115.700 -0.185 0.000 2.713 576 S HA 0.574 5.044 4.470 0.000 0.000 0.283 576 S C -1.041 173.260 174.600 -0.498 0.000 1.161 576 S CA -0.514 57.434 58.200 -0.420 0.000 0.999 576 S CB 0.813 63.562 63.200 -0.752 0.000 1.039 576 S HN 0.406 nan 8.310 nan 0.000 0.548 577 L N 2.609 123.490 121.223 -0.569 0.000 2.313 577 L HA 0.540 4.880 4.340 0.000 0.000 0.273 577 L C -1.678 174.943 176.870 -0.414 0.000 1.028 577 L CA -0.123 54.471 54.840 -0.411 0.000 0.871 577 L CB -0.592 41.229 42.059 -0.396 0.000 1.242 577 L HN 0.399 nan 8.230 nan 0.000 0.434 578 F N 4.459 124.400 119.950 -0.015 0.000 2.403 578 F HA 0.602 5.129 4.527 0.000 0.000 0.326 578 F C -0.099 175.741 175.800 0.067 0.000 1.081 578 F CA -0.682 57.336 58.000 0.030 0.000 1.041 578 F CB 1.320 40.336 39.000 0.028 0.000 1.234 578 F HN 0.137 nan 8.300 nan 0.000 0.503 579 L N 1.775 123.221 121.223 0.373 0.000 2.427 579 L HA 0.345 4.685 4.340 0.000 0.000 0.264 579 L C -0.793 176.294 176.870 0.363 0.000 0.989 579 L CA -0.135 54.908 54.840 0.338 0.000 0.865 579 L CB 1.450 43.698 42.059 0.316 0.000 1.209 579 L HN 0.464 nan 8.230 nan 0.000 0.430 580 S N 4.750 120.605 115.700 0.258 0.000 2.420 580 S HA 0.483 4.953 4.470 0.000 0.000 0.313 580 S C -2.491 172.158 174.600 0.081 0.000 1.079 580 S CA -1.053 57.232 58.200 0.141 0.000 1.104 580 S CB 1.071 64.299 63.200 0.046 0.000 0.969 580 S HN 0.286 nan 8.310 nan 0.000 0.471 581 P HA 0.322 nan 4.420 nan 0.000 0.301 581 P C -0.988 176.166 177.300 -0.243 0.000 1.338 581 P CA -0.596 62.280 63.100 -0.372 0.000 0.834 581 P CB 1.316 32.679 31.700 -0.561 0.000 0.967 582 V N 6.413 126.185 119.914 -0.236 0.000 2.320 582 V HA 0.188 4.308 4.120 0.000 0.000 0.265 582 V C 1.097 177.110 176.094 -0.135 0.000 1.048 582 V CA -0.667 61.550 62.300 -0.138 0.000 0.865 582 V CB 0.500 32.270 31.823 -0.089 0.000 1.043 582 V HN 0.563 nan 8.190 nan 0.000 0.474 583 I N 5.771 126.276 120.570 -0.108 0.000 2.648 583 I HA 0.127 4.297 4.170 0.000 0.000 0.284 583 I C 1.013 177.108 176.117 -0.038 0.000 1.153 583 I CA -0.098 61.159 61.300 -0.072 0.000 1.426 583 I CB 0.531 38.504 38.000 -0.045 0.000 1.381 583 I HN 0.779 nan 8.210 nan 0.000 0.571 584 M N 6.061 125.651 119.600 -0.017 0.000 2.503 584 M HA -0.332 4.148 4.480 0.000 0.000 0.199 584 M C 0.596 176.895 176.300 -0.001 0.000 0.466 584 M CA 1.059 56.360 55.300 0.002 0.000 0.510 584 M CB -2.134 30.470 32.600 0.006 0.000 1.858 584 M HN 0.881 nan 8.290 nan 0.000 0.799 585 N N -0.723 117.970 118.700 -0.011 0.000 2.644 585 N HA -0.261 4.479 4.740 0.000 0.000 0.248 585 N C -0.378 175.128 175.510 -0.006 0.000 1.150 585 N CA 1.514 54.560 53.050 -0.006 0.000 0.727 585 N CB -0.635 37.861 38.487 0.015 0.000 1.091 585 N HN 0.813 nan 8.380 nan 0.000 0.556 586 K N -0.378 120.012 120.400 -0.015 0.000 2.426 586 K HA 0.599 4.919 4.320 0.000 0.000 0.254 586 K C -0.246 176.337 176.600 -0.028 0.000 0.936 586 K CA -0.987 55.291 56.287 -0.015 0.000 0.801 586 K CB 1.294 33.789 32.500 -0.007 0.000 1.139 586 K HN 0.142 nan 8.250 nan 0.000 0.424 587 c N 0.741 119.321 118.600 -0.034 0.000 2.364 587 c HA 0.745 5.315 4.570 0.000 0.000 0.356 587 c C 0.622 174.688 174.090 -0.039 0.000 1.201 587 c CA -0.824 55.479 56.329 -0.044 0.000 2.227 587 c CB 0.640 43.117 42.510 -0.055 0.000 2.387 587 c HN 0.912 nan 8.230 nan 0.000 0.546 588 S N 1.536 117.210 115.700 -0.043 0.000 2.672 588 S HA 0.451 4.921 4.470 0.000 0.000 0.276 588 S C -0.423 174.151 174.600 -0.044 0.000 1.207 588 S CA -0.611 57.566 58.200 -0.039 0.000 1.002 588 S CB 0.554 63.730 63.200 -0.039 0.000 0.998 588 S HN 0.929 nan 8.310 nan 0.000 0.542 589 Q N 0.687 120.464 119.800 -0.039 0.000 2.293 589 Q HA 0.508 4.848 4.340 0.000 0.000 0.263 589 Q C 0.524 176.497 176.000 -0.045 0.000 1.002 589 Q CA -0.305 55.474 55.803 -0.040 0.000 0.910 589 Q CB -0.134 28.585 28.738 -0.032 0.000 1.185 589 Q HN 1.450 nan 8.270 nan 0.000 0.401 590 G N 1.094 109.863 108.800 -0.052 0.000 2.705 590 G HA2 0.083 4.043 3.960 0.000 0.000 0.686 590 G HA3 0.083 4.043 3.960 0.000 0.000 0.686 590 G C -0.471 174.388 174.900 -0.068 0.000 1.285 590 G CA -0.545 44.520 45.100 -0.058 0.000 0.800 590 G HN 1.059 nan 8.290 nan 0.000 0.611 591 A N 0.668 123.440 122.820 -0.079 0.000 2.280 591 A HA 0.832 5.152 4.320 0.000 0.000 0.268 591 A C 1.186 178.714 177.584 -0.094 0.000 1.111 591 A CA 0.320 52.299 52.037 -0.097 0.000 0.814 591 A CB 0.369 19.298 19.000 -0.119 0.000 1.093 591 A HN 2.083 nan 8.150 nan 0.000 0.498 592 V N 0.094 119.942 119.914 -0.110 0.000 3.287 592 V HA 0.358 4.478 4.120 0.000 0.000 0.306 592 V C 1.338 177.376 176.094 -0.094 0.000 1.103 592 V CA -0.025 62.214 62.300 -0.103 0.000 1.159 592 V CB 0.008 31.757 31.823 -0.123 0.000 1.036 592 V HN 1.175 nan 8.190 nan 0.000 0.487 593 A N 2.251 125.024 122.820 -0.077 0.000 2.364 593 A HA 0.531 4.851 4.320 0.000 0.000 0.258 593 A C 1.031 178.576 177.584 -0.066 0.000 1.131 593 A CA 0.287 52.286 52.037 -0.063 0.000 0.800 593 A CB -0.597 18.372 19.000 -0.051 0.000 1.086 593 A HN 1.331 nan 8.150 nan 0.000 0.508 594 G N -1.813 106.957 108.800 -0.050 0.000 2.664 594 G HA2 0.430 4.390 3.960 0.000 0.000 0.242 594 G HA3 0.430 4.390 3.960 0.000 0.000 0.242 594 G C -0.079 174.800 174.900 -0.035 0.000 1.225 594 G CA 0.845 45.920 45.100 -0.042 0.000 0.849 594 G HN 1.335 nan 8.290 nan 0.000 0.581 595 E N -0.535 119.654 120.200 -0.019 0.000 6.993 595 E HA -0.125 4.225 4.350 0.000 0.000 0.276 595 E C -2.322 174.271 176.600 -0.010 0.000 1.113 595 E CA 0.132 56.531 56.400 -0.002 0.000 1.400 595 E CB -0.697 29.001 29.700 -0.004 0.000 0.936 595 E HN 0.401 nan 8.360 nan 0.000 0.285 596 P HA 0.191 nan 4.420 nan 0.000 0.274 596 P C -0.519 176.781 177.300 0.000 0.000 1.246 596 P CA -0.405 62.706 63.100 0.018 0.000 0.795 596 P CB 0.555 32.347 31.700 0.153 0.000 1.006 597 R N 1.661 122.114 120.500 -0.078 0.000 2.340 597 R HA 0.136 4.477 4.340 0.000 0.000 0.300 597 R C -0.063 176.288 176.300 0.086 0.000 1.069 597 R CA -0.198 55.852 56.100 -0.083 0.000 0.984 597 R CB 0.347 30.449 30.300 -0.330 0.000 1.003 597 R HN 0.501 nan 8.270 nan 0.000 0.459 598 Q N 3.885 123.759 119.800 0.124 0.000 2.259 598 Q HA 0.207 4.547 4.340 0.000 0.000 0.249 598 Q C -0.180 175.958 176.000 0.231 0.000 0.914 598 Q CA -0.325 55.576 55.803 0.162 0.000 0.904 598 Q CB 1.515 30.308 28.738 0.090 0.000 1.213 598 Q HN 0.537 nan 8.270 nan 0.000 0.428 599 I N 5.162 125.849 120.570 0.194 0.000 2.494 599 I HA 0.062 4.233 4.170 0.000 0.000 0.289 599 I C -1.667 174.481 176.117 0.052 0.000 1.106 599 I CA -1.552 59.808 61.300 0.099 0.000 1.369 599 I CB -0.066 37.944 38.000 0.015 0.000 1.410 599 I HN 0.336 nan 8.210 nan 0.000 0.523 600 P HA 0.140 nan 4.420 nan 0.000 0.271 600 P C -1.038 176.256 177.300 -0.010 0.000 1.216 600 P CA -0.401 62.713 63.100 0.023 0.000 0.776 600 P CB 0.765 32.485 31.700 0.034 0.000 0.881 601 K N 3.022 123.407 120.400 -0.024 0.000 2.172 601 K HA 0.562 4.882 4.320 0.000 0.000 0.276 601 K C 0.028 176.582 176.600 -0.077 0.000 1.013 601 K CA -0.611 55.649 56.287 -0.045 0.000 0.913 601 K CB 1.103 33.577 32.500 -0.043 0.000 1.055 601 K HN 0.463 nan 8.250 nan 0.000 0.461 602 I N 1.985 122.492 120.570 -0.106 0.000 2.608 602 I HA 0.149 4.319 4.170 0.000 0.000 0.295 602 I C 0.301 176.283 176.117 -0.225 0.000 1.049 602 I CA -0.489 60.704 61.300 -0.178 0.000 1.063 602 I CB 2.140 40.009 38.000 -0.218 0.000 1.248 602 I HN 0.616 nan 8.210 nan 0.000 0.424 603 Q N 2.527 122.177 119.800 -0.250 0.000 2.103 603 Q HA 0.200 4.540 4.340 0.000 0.000 0.219 603 Q C 0.968 176.827 176.000 -0.235 0.000 0.784 603 Q CA -0.242 55.410 55.803 -0.252 0.000 1.014 603 Q CB 0.770 29.385 28.738 -0.206 0.000 1.183 603 Q HN 0.581 nan 8.270 nan 0.000 0.469 604 N N 0.973 119.476 118.700 -0.327 0.000 2.022 604 N HA -0.080 4.660 4.740 0.000 0.000 0.194 604 N C 0.214 175.614 175.510 -0.184 0.000 1.057 604 N CA 1.052 53.914 53.050 -0.313 0.000 0.849 604 N CB -0.182 38.024 38.487 -0.469 0.000 1.044 604 N HN 0.075 nan 8.380 nan 0.000 0.424 605 F N 1.501 121.459 119.950 0.014 0.000 2.623 605 F HA -0.058 4.469 4.527 0.000 0.000 0.381 605 F C 1.450 177.252 175.800 0.004 0.000 1.081 605 F CA -0.208 57.822 58.000 0.049 0.000 1.293 605 F CB -0.608 38.502 39.000 0.183 0.000 1.006 605 F HN -0.032 nan 8.300 nan 0.000 0.578 606 T N 0.981 115.658 114.554 0.206 0.000 2.943 606 T HA 0.484 4.834 4.350 0.000 0.000 0.284 606 T C 1.176 175.931 174.700 0.092 0.000 1.015 606 T CA -1.062 61.097 62.100 0.099 0.000 1.042 606 T CB 1.741 70.645 68.868 0.059 0.000 1.055 606 T HN 0.544 nan 8.240 nan 0.000 0.500 607 R N 0.849 121.388 120.500 0.065 0.000 2.096 607 R HA -0.028 4.312 4.340 0.000 0.000 0.229 607 R C 0.734 177.060 176.300 0.044 0.000 1.134 607 R CA 1.219 57.358 56.100 0.065 0.000 0.917 607 R CB -1.360 28.977 30.300 0.062 0.000 0.832 607 R HN 0.670 nan 8.270 nan 0.000 0.430 608 T N 2.727 117.296 114.554 0.026 0.000 2.871 608 T HA 0.021 4.371 4.350 0.000 0.000 0.296 608 T C 0.114 174.804 174.700 -0.017 0.000 0.998 608 T CA 0.386 62.489 62.100 0.005 0.000 1.162 608 T CB 0.615 69.485 68.868 0.002 0.000 0.947 608 T HN 0.091 nan 8.240 nan 0.000 0.536 609 Q N 2.082 121.856 119.800 -0.044 0.000 2.304 609 Q HA 0.313 4.654 4.340 0.000 0.000 0.270 609 Q C 0.673 176.619 176.000 -0.089 0.000 1.035 609 Q CA -0.661 55.089 55.803 -0.088 0.000 0.781 609 Q CB 2.499 31.141 28.738 -0.160 0.000 1.261 609 Q HN 0.652 nan 8.270 nan 0.000 0.444 610 K N 1.131 121.479 120.400 -0.086 0.000 1.967 610 K HA -0.012 4.309 4.320 0.000 0.000 0.212 610 K C 0.816 177.358 176.600 -0.098 0.000 1.044 610 K CA 1.218 57.459 56.287 -0.076 0.000 0.942 610 K CB 0.115 32.578 32.500 -0.062 0.000 0.726 610 K HN 0.697 nan 8.250 nan 0.000 0.440 611 S N -0.594 115.034 115.700 -0.119 0.000 2.713 611 S HA 0.111 4.581 4.470 0.000 0.000 0.277 611 S C 0.074 174.557 174.600 -0.195 0.000 1.168 611 S CA -0.996 57.122 58.200 -0.137 0.000 0.994 611 S CB 1.367 64.493 63.200 -0.124 0.000 1.054 611 S HN 0.383 nan 8.310 nan 0.000 0.555 612 C N 2.092 121.271 119.300 -0.202 0.000 2.262 612 C HA 0.432 4.892 4.460 0.000 0.000 0.413 612 C C 1.640 176.420 174.990 -0.350 0.000 1.019 612 C CA -0.861 58.003 59.018 -0.256 0.000 1.320 612 C CB -2.919 24.695 27.740 -0.210 0.000 1.657 612 C HN 0.761 nan 8.230 nan 0.000 0.510 613 I N 2.715 122.986 120.570 -0.499 0.000 2.072 613 I HA -0.075 4.095 4.170 0.000 0.000 0.235 613 I C 0.755 176.501 176.117 -0.618 0.000 1.058 613 I CA 1.522 62.446 61.300 -0.625 0.000 1.320 613 I CB -0.458 36.917 38.000 -1.041 0.000 1.047 613 I HN 0.416 nan 8.210 nan 0.000 0.397 614 F N 0.820 120.591 119.950 -0.298 0.000 2.659 614 F HA 0.169 4.696 4.527 0.000 0.000 0.360 614 F C 1.135 176.684 175.800 -0.418 0.000 1.218 614 F CA -0.715 57.108 58.000 -0.295 0.000 1.317 614 F CB -1.038 37.983 39.000 0.034 0.000 1.697 614 F HN 0.107 nan 8.300 nan 0.000 0.637 615 C N 0.705 119.670 119.300 -0.559 0.000 3.529 615 C HA 0.187 4.647 4.460 0.000 0.000 0.288 615 C C 2.830 177.613 174.990 -0.345 0.000 1.353 615 C CA 1.204 59.986 59.018 -0.393 0.000 1.705 615 C CB -0.774 26.758 27.740 -0.346 0.000 2.156 615 C HN 0.829 nan 8.230 nan 0.000 0.555 616 G N 0.162 108.772 108.800 -0.317 0.000 2.990 616 G HA2 0.124 4.084 3.960 0.000 0.000 0.206 616 G HA3 0.124 4.084 3.960 0.000 0.000 0.206 616 G C 0.310 175.470 174.900 0.433 0.000 1.169 616 G CA 0.250 45.377 45.100 0.046 0.000 0.819 616 G HN 0.298 nan 8.290 nan 0.000 0.517 617 F N 0.217 120.273 119.950 0.177 0.000 2.403 617 F HA 0.797 5.324 4.527 0.000 0.000 0.326 617 F C 0.521 176.481 175.800 0.266 0.000 1.099 617 F CA -2.286 55.850 58.000 0.227 0.000 1.036 617 F CB 0.987 40.093 39.000 0.177 0.000 1.336 617 F HN 0.061 nan 8.300 nan 0.000 0.497 618 A N 0.472 123.543 122.820 0.418 0.000 2.515 618 A HA 0.756 5.077 4.320 0.000 0.000 0.298 618 A C -1.605 176.068 177.584 0.148 0.000 1.059 618 A CA -0.637 51.585 52.037 0.309 0.000 0.698 618 A CB 1.399 20.580 19.000 0.301 0.000 1.289 618 A HN 0.645 nan 8.150 nan 0.000 0.404 619 L N 1.258 122.572 121.223 0.152 0.000 2.325 619 L HA 0.677 5.017 4.340 0.000 0.000 0.278 619 L C -1.164 175.795 176.870 0.149 0.000 1.023 619 L CA -0.890 54.041 54.840 0.152 0.000 0.811 619 L CB 1.781 43.967 42.059 0.213 0.000 1.249 619 L HN 0.630 nan 8.230 nan 0.000 0.431 620 L N 3.018 124.317 121.223 0.127 0.000 2.446 620 L HA 0.405 4.745 4.340 0.000 0.000 0.268 620 L C -0.317 176.608 176.870 0.092 0.000 0.975 620 L CA -0.059 54.840 54.840 0.098 0.000 0.848 620 L CB 1.825 43.912 42.059 0.047 0.000 1.225 620 L HN 0.608 nan 8.230 nan 0.000 0.410 621 S N 3.599 119.302 115.700 0.005 0.000 2.489 621 S HA 0.800 5.270 4.470 0.000 0.000 0.291 621 S C -0.760 173.762 174.600 -0.129 0.000 1.151 621 S CA -0.519 57.539 58.200 -0.235 0.000 1.082 621 S CB 1.230 64.118 63.200 -0.520 0.000 1.019 621 S HN 0.557 nan 8.310 nan 0.000 0.492 622 Y N -0.681 119.499 120.300 -0.200 0.000 2.477 622 Y HA 0.740 5.290 4.550 0.000 0.000 0.347 622 Y C -0.899 174.907 175.900 -0.157 0.000 0.981 622 Y CA -1.382 56.638 58.100 -0.133 0.000 1.033 622 Y CB 0.810 39.236 38.460 -0.056 0.000 1.245 622 Y HN 0.629 nan 8.280 nan 0.000 0.455 623 D N 2.009 122.402 120.400 -0.012 0.000 2.255 623 D HA 0.170 4.810 4.640 0.000 0.000 0.249 623 D C 0.779 177.109 176.300 0.050 0.000 1.078 623 D CA -0.168 53.766 54.000 -0.110 0.000 0.896 623 D CB 1.459 42.175 40.800 -0.140 0.000 1.194 623 D HN 0.823 nan 8.370 nan 0.000 0.429 624 E N 1.803 121.978 120.200 -0.041 0.000 2.058 624 E HA -0.221 4.129 4.350 0.000 0.000 0.194 624 E C 1.269 177.793 176.600 -0.127 0.000 0.997 624 E CA 1.368 57.785 56.400 0.029 0.000 0.801 624 E CB 0.279 29.928 29.700 -0.084 0.000 0.746 624 E HN 0.428 nan 8.360 nan 0.000 0.450 625 K N 0.221 120.419 120.400 -0.337 0.000 2.005 625 K HA -0.040 4.280 4.320 0.000 0.000 0.206 625 K C 1.042 177.591 176.600 -0.085 0.000 1.044 625 K CA 0.740 56.856 56.287 -0.285 0.000 0.942 625 K CB -0.006 32.257 32.500 -0.395 0.000 0.727 625 K HN -0.044 nan 8.250 nan 0.000 0.439 626 E N -0.374 119.767 120.200 -0.099 0.000 2.622 626 E HA 0.149 4.499 4.350 0.000 0.000 0.255 626 E C 0.637 177.235 176.600 -0.003 0.000 1.313 626 E CA 0.019 56.390 56.400 -0.048 0.000 1.011 626 E CB 0.302 29.960 29.700 -0.069 0.000 1.173 626 E HN 0.250 nan 8.360 nan 0.000 0.601 627 G N -0.347 108.453 108.800 -0.000 0.000 2.711 627 G HA2 0.173 4.133 3.960 0.000 0.000 0.186 627 G HA3 0.173 4.133 3.960 0.000 0.000 0.186 627 G C -0.472 174.450 174.900 0.037 0.000 1.635 627 G CA -0.519 44.590 45.100 0.015 0.000 1.065 627 G HN 0.311 nan 8.290 nan 0.000 0.545 628 L N 0.765 122.007 121.223 0.031 0.000 2.305 628 L HA 0.267 4.607 4.340 0.000 0.000 0.281 628 L C 1.194 178.067 176.870 0.006 0.000 1.085 628 L CA -0.662 54.206 54.840 0.046 0.000 0.813 628 L CB 1.367 43.449 42.059 0.038 0.000 1.157 628 L HN 0.480 nan 8.230 nan 0.000 0.436 629 E N 1.855 122.045 120.200 -0.017 0.000 2.025 629 E HA 0.047 4.397 4.350 0.000 0.000 0.198 629 E C 0.540 177.112 176.600 -0.047 0.000 0.955 629 E CA 0.932 57.292 56.400 -0.066 0.000 0.862 629 E CB 0.123 29.741 29.700 -0.138 0.000 0.837 629 E HN 0.726 nan 8.360 nan 0.000 0.488 630 T N -1.689 112.839 114.554 -0.043 0.000 2.907 630 T HA 0.530 4.880 4.350 0.000 0.000 0.292 630 T C -0.317 174.426 174.700 0.071 0.000 1.043 630 T CA -0.763 61.346 62.100 0.016 0.000 1.003 630 T CB 2.269 71.163 68.868 0.043 0.000 1.084 630 T HN 0.031 nan 8.240 nan 0.000 0.483 631 T N 1.068 115.676 114.554 0.090 0.000 2.876 631 T HA 0.698 5.048 4.350 0.000 0.000 0.289 631 T C -1.122 173.664 174.700 0.143 0.000 1.014 631 T CA -0.330 61.837 62.100 0.111 0.000 0.986 631 T CB 1.470 70.376 68.868 0.063 0.000 1.021 631 T HN 0.889 nan 8.240 nan 0.000 0.458 632 T N 3.751 118.409 114.554 0.174 0.000 2.916 632 T HA 0.406 4.756 4.350 0.000 0.000 0.298 632 T C -1.771 173.100 174.700 0.285 0.000 1.031 632 T CA -0.470 61.750 62.100 0.200 0.000 0.993 632 T CB 1.110 70.002 68.868 0.040 0.000 1.045 632 T HN 0.604 nan 8.240 nan 0.000 0.454 633 Y N 3.424 123.868 120.300 0.239 0.000 2.402 633 Y HA 0.527 5.077 4.550 0.000 0.000 0.332 633 Y C -0.124 175.897 175.900 0.202 0.000 0.960 633 Y CA -1.185 57.052 58.100 0.227 0.000 1.228 633 Y CB 0.386 38.990 38.460 0.239 0.000 1.120 633 Y HN 0.595 nan 8.280 nan 0.000 0.491 634 I N 7.377 127.840 120.570 -0.179 0.000 2.455 634 I HA -0.062 4.108 4.170 0.000 0.000 0.303 634 I C 1.451 177.271 176.117 -0.494 0.000 1.180 634 I CA 0.285 61.420 61.300 -0.276 0.000 1.469 634 I CB 0.120 38.039 38.000 -0.134 0.000 1.480 634 I HN 0.793 nan 8.210 nan 0.000 0.669 635 T N 1.634 115.905 114.554 -0.471 0.000 2.622 635 T HA -0.127 4.223 4.350 0.000 0.000 0.266 635 T C 0.935 175.472 174.700 -0.272 0.000 1.047 635 T CA 1.305 63.175 62.100 -0.383 0.000 1.159 635 T CB -0.131 68.612 68.868 -0.210 0.000 0.863 635 T HN 0.617 nan 8.240 nan 0.000 0.422 636 S N -0.628 114.932 115.700 -0.233 0.000 2.806 636 S HA 0.540 5.010 4.470 0.000 0.000 0.306 636 S C 0.746 175.246 174.600 -0.167 0.000 1.167 636 S CA -0.457 57.639 58.200 -0.174 0.000 0.847 636 S CB 1.842 64.967 63.200 -0.124 0.000 1.216 636 S HN 0.220 nan 8.310 nan 0.000 0.532 637 Q N 1.475 121.192 119.800 -0.138 0.000 2.014 637 Q HA -0.234 4.106 4.340 0.000 0.000 0.207 637 Q C 1.936 177.866 176.000 -0.118 0.000 0.993 637 Q CA 2.930 58.656 55.803 -0.127 0.000 0.850 637 Q CB -0.883 27.791 28.738 -0.106 0.000 0.916 637 Q HN 0.904 nan 8.270 nan 0.000 0.417 638 E N -1.050 119.084 120.200 -0.110 0.000 2.114 638 E HA -0.237 4.114 4.350 0.000 0.000 0.199 638 E C 1.826 178.352 176.600 -0.124 0.000 1.008 638 E CA 1.934 58.271 56.400 -0.105 0.000 0.810 638 E CB -0.599 29.041 29.700 -0.100 0.000 0.739 638 E HN 0.287 nan 8.360 nan 0.000 0.456 639 V N 1.382 121.198 119.914 -0.164 0.000 2.307 639 V HA -0.300 3.820 4.120 0.000 0.000 0.245 639 V C 2.762 178.767 176.094 -0.148 0.000 1.045 639 V CA 2.220 64.401 62.300 -0.198 0.000 1.024 639 V CB -0.947 30.698 31.823 -0.297 0.000 0.651 639 V HN 0.340 nan 8.190 nan 0.000 0.449 640 Q N 0.336 120.063 119.800 -0.122 0.000 2.135 640 Q HA -0.244 4.096 4.340 0.000 0.000 0.204 640 Q C 2.142 178.125 176.000 -0.029 0.000 0.981 640 Q CA 2.015 57.783 55.803 -0.058 0.000 0.856 640 Q CB -0.143 28.553 28.738 -0.070 0.000 0.902 640 Q HN 0.694 nan 8.270 nan 0.000 0.425 641 N N 0.282 118.950 118.700 -0.053 0.000 2.142 641 N HA -0.109 4.631 4.740 0.000 0.000 0.186 641 N C 1.672 177.170 175.510 -0.020 0.000 1.023 641 N CA 1.530 54.561 53.050 -0.032 0.000 0.852 641 N CB -0.209 38.250 38.487 -0.047 0.000 0.998 641 N HN 0.312 nan 8.380 nan 0.000 0.424 642 S N -0.006 115.664 115.700 -0.049 0.000 2.727 642 S HA 0.134 4.604 4.470 0.000 0.000 0.226 642 S C 1.530 176.107 174.600 -0.039 0.000 0.963 642 S CA 0.222 58.395 58.200 -0.045 0.000 0.950 642 S CB -0.378 62.777 63.200 -0.075 0.000 0.779 642 S HN 0.260 nan 8.310 nan 0.000 0.532 643 I N -0.814 119.743 120.570 -0.022 0.000 4.033 643 I HA 0.186 4.356 4.170 0.000 0.000 0.296 643 I C 1.605 177.820 176.117 0.164 0.000 1.210 643 I CA 0.144 61.428 61.300 -0.026 0.000 1.341 643 I CB 0.083 37.982 38.000 -0.168 0.000 1.369 643 I HN 0.202 nan 8.210 nan 0.000 0.453 644 L N 0.821 122.155 121.223 0.186 0.000 2.313 644 L HA -0.019 4.321 4.340 0.000 0.000 0.214 644 L C 2.566 179.527 176.870 0.151 0.000 1.119 644 L CA 1.127 56.111 54.840 0.240 0.000 0.809 644 L CB -0.465 41.699 42.059 0.176 0.000 0.933 644 L HN 0.309 nan 8.230 nan 0.000 0.449 645 S N -0.876 114.881 115.700 0.095 0.000 2.387 645 S HA -0.011 4.459 4.470 0.000 0.000 0.221 645 S C 1.369 176.008 174.600 0.064 0.000 1.041 645 S CA 0.226 58.462 58.200 0.061 0.000 0.959 645 S CB -0.477 62.740 63.200 0.030 0.000 0.843 645 S HN 0.428 nan 8.310 nan 0.000 0.488 646 S N 2.380 118.121 115.700 0.068 0.000 2.634 646 S HA 0.249 4.719 4.470 0.000 0.000 0.254 646 S C 0.287 174.935 174.600 0.079 0.000 1.299 646 S CA -0.588 57.650 58.200 0.063 0.000 0.974 646 S CB -0.219 63.018 63.200 0.062 0.000 1.001 646 S HN 0.426 nan 8.310 nan 0.000 0.584 647 N N 0.344 119.073 118.700 0.049 0.000 2.597 647 N HA 0.096 4.836 4.740 0.000 0.000 0.269 647 N C 0.187 175.684 175.510 -0.021 0.000 1.204 647 N CA -0.014 53.041 53.050 0.009 0.000 0.947 647 N CB -0.363 38.112 38.487 -0.021 0.000 1.258 647 N HN 0.700 nan 8.380 nan 0.000 0.508 648 Y N 0.527 120.750 120.300 -0.129 0.000 2.274 648 Y HA -0.052 4.498 4.550 0.000 0.000 0.290 648 Y C -0.029 175.579 175.900 -0.487 0.000 1.145 648 Y CA 1.140 59.075 58.100 -0.274 0.000 1.203 648 Y CB -0.006 38.239 38.460 -0.357 0.000 0.984 648 Y HN -0.089 nan 8.280 nan 0.000 0.533 649 F N 0.405 120.119 119.950 -0.394 0.000 2.399 649 F HA 0.355 4.882 4.527 0.000 0.000 0.328 649 F C -0.099 175.210 175.800 -0.819 0.000 1.084 649 F CA -0.749 56.662 58.000 -0.980 0.000 1.053 649 F CB 1.140 39.480 39.000 -1.099 0.000 1.209 649 F HN -0.182 nan 8.300 nan 0.000 0.502 650 D N 1.511 121.504 120.400 -0.679 0.000 2.934 650 D HA 0.149 4.789 4.640 0.000 0.000 0.249 650 D C -0.082 176.115 176.300 -0.172 0.000 1.293 650 D CA -0.237 53.557 54.000 -0.344 0.000 0.812 650 D CB -0.319 40.414 40.800 -0.112 0.000 1.439 650 D HN 0.175 nan 8.370 nan 0.000 0.555 651 F N 0.100 120.088 119.950 0.063 0.000 2.546 651 F HA 0.081 4.608 4.527 0.000 0.000 0.298 651 F C 1.661 177.482 175.800 0.034 0.000 1.120 651 F CA 0.289 58.333 58.000 0.072 0.000 1.456 651 F CB -0.140 38.872 39.000 0.020 0.000 1.088 651 F HN 0.200 nan 8.300 nan 0.000 0.572 652 D N 0.701 121.168 120.400 0.111 0.000 2.663 652 D HA -0.020 4.620 4.640 0.000 0.000 0.243 652 D C 0.043 176.346 176.300 0.004 0.000 1.218 652 D CA 0.369 54.401 54.000 0.054 0.000 0.846 652 D CB -0.485 40.330 40.800 0.025 0.000 1.014 652 D HN 0.164 nan 8.370 nan 0.000 0.476 653 N N 1.448 120.151 118.700 0.004 0.000 2.594 653 N HA 0.008 4.748 4.740 0.000 0.000 0.280 653 N C 0.833 176.271 175.510 -0.120 0.000 1.156 653 N CA -0.430 52.581 53.050 -0.064 0.000 0.831 653 N CB 1.025 39.479 38.487 -0.055 0.000 1.379 653 N HN -0.140 nan 8.380 nan 0.000 0.536 654 L N 2.344 123.453 121.223 -0.190 0.000 2.191 654 L HA -0.112 4.228 4.340 0.000 0.000 0.212 654 L C 1.732 178.394 176.870 -0.347 0.000 1.103 654 L CA 1.291 55.997 54.840 -0.224 0.000 0.769 654 L CB -0.870 41.057 42.059 -0.220 0.000 0.908 654 L HN 0.597 nan 8.230 nan 0.000 0.438 655 H N -0.813 118.096 119.070 -0.268 0.000 2.389 655 H HA 0.073 4.629 4.556 0.000 0.000 0.299 655 H C 0.562 175.584 175.328 -0.510 0.000 1.081 655 H CA 0.348 56.191 56.048 -0.341 0.000 1.345 655 H CB -0.007 29.601 29.762 -0.257 0.000 1.393 655 H HN 0.043 nan 8.280 nan 0.000 0.520 656 V N 2.444 122.121 119.914 -0.396 0.000 2.481 656 V HA 0.176 4.296 4.120 0.000 0.000 0.286 656 V C 0.117 175.755 176.094 -0.760 0.000 1.042 656 V CA -0.586 61.372 62.300 -0.571 0.000 0.928 656 V CB 1.890 33.444 31.823 -0.448 0.000 0.986 656 V HN 0.335 nan 8.190 nan 0.000 0.462 657 H N 2.764 121.395 119.070 -0.731 0.000 2.679 657 H HA 0.543 5.099 4.556 0.000 0.000 0.367 657 H C -1.542 173.365 175.328 -0.701 0.000 1.162 657 H CA -0.585 55.102 56.048 -0.603 0.000 1.181 657 H CB 1.911 31.188 29.762 -0.808 0.000 1.693 657 H HN 0.570 nan 8.280 nan 0.000 0.538 658 Y N 1.426 121.772 120.300 0.076 0.000 2.326 658 Y HA 0.276 4.827 4.550 0.000 0.000 0.331 658 Y C -0.421 175.568 175.900 0.148 0.000 0.962 658 Y CA -0.740 57.444 58.100 0.140 0.000 1.167 658 Y CB 1.238 39.922 38.460 0.375 0.000 1.148 658 Y HN 0.255 nan 8.280 nan 0.000 0.463 659 L N 3.880 125.234 121.223 0.219 0.000 2.334 659 L HA 0.574 4.914 4.340 0.000 0.000 0.270 659 L C -1.052 175.854 176.870 0.061 0.000 1.018 659 L CA -0.884 54.026 54.840 0.117 0.000 0.811 659 L CB 1.632 43.736 42.059 0.075 0.000 1.271 659 L HN 0.518 nan 8.230 nan 0.000 0.443 660 L N 2.977 124.171 121.223 -0.049 0.000 2.372 660 L HA 0.547 4.888 4.340 0.000 0.000 0.274 660 L C -1.369 175.353 176.870 -0.246 0.000 0.988 660 L CA -0.160 54.614 54.840 -0.111 0.000 0.833 660 L CB 1.200 43.178 42.059 -0.135 0.000 1.236 660 L HN 0.354 nan 8.230 nan 0.000 0.410 661 L N 4.770 125.805 121.223 -0.313 0.000 2.272 661 L HA 0.585 4.925 4.340 0.000 0.000 0.289 661 L C 0.678 177.383 176.870 -0.275 0.000 1.032 661 L CA -0.515 53.983 54.840 -0.571 0.000 0.810 661 L CB 1.390 42.746 42.059 -1.171 0.000 1.205 661 L HN 0.713 nan 8.230 nan 0.000 0.422 662 T N -2.496 111.882 114.554 -0.294 0.000 2.884 662 T HA 0.187 4.537 4.350 0.000 0.000 0.277 662 T C 1.328 176.048 174.700 0.033 0.000 0.976 662 T CA 0.011 61.686 62.100 -0.710 0.000 0.956 662 T CB 1.297 69.542 68.868 -1.038 0.000 1.113 662 T HN 0.686 nan 8.240 nan 0.000 0.554 663 T N -0.901 113.759 114.554 0.176 0.000 2.929 663 T HA -0.017 4.333 4.350 0.000 0.000 0.271 663 T C 0.688 175.499 174.700 0.185 0.000 1.085 663 T CA 0.328 62.624 62.100 0.328 0.000 1.125 663 T CB -0.660 68.454 68.868 0.411 0.000 0.874 663 T HN 0.603 nan 8.240 nan 0.000 0.494 664 N N 1.347 120.122 118.700 0.125 0.000 2.495 664 N HA 0.405 5.145 4.740 0.000 0.000 0.280 664 N C 0.960 176.551 175.510 0.135 0.000 1.168 664 N CA -0.246 52.864 53.050 0.101 0.000 0.978 664 N CB 0.892 39.433 38.487 0.091 0.000 1.191 664 N HN 0.291 nan 8.380 nan 0.000 0.497 665 G N -0.230 108.621 108.800 0.085 0.000 3.229 665 G HA2 -0.057 3.903 3.960 0.000 0.000 0.214 665 G HA3 -0.057 3.903 3.960 0.000 0.000 0.214 665 G C 0.454 175.569 174.900 0.358 0.000 1.256 665 G CA 0.197 45.361 45.100 0.107 0.000 1.042 665 G HN 0.646 nan 8.290 nan 0.000 0.497 666 T N -2.541 112.200 114.554 0.312 0.000 2.907 666 T HA 0.662 5.013 4.350 0.000 0.000 0.284 666 T C -0.534 174.194 174.700 0.047 0.000 1.004 666 T CA -0.780 61.479 62.100 0.265 0.000 1.063 666 T CB 2.578 71.531 68.868 0.141 0.000 0.992 666 T HN -0.035 nan 8.240 nan 0.000 0.483 667 V N 3.807 123.531 119.914 -0.316 0.000 2.925 667 V HA 0.751 4.871 4.120 0.000 0.000 0.311 667 V C -0.244 175.628 176.094 -0.369 0.000 1.104 667 V CA -1.045 60.936 62.300 -0.531 0.000 0.954 667 V CB 1.797 33.032 31.823 -0.980 0.000 1.022 667 V HN 1.165 nan 8.190 nan 0.000 0.427 668 M N 1.204 120.675 119.600 -0.215 0.000 2.465 668 M HA 0.693 5.173 4.480 0.000 0.000 0.284 668 M C -1.069 175.209 176.300 -0.036 0.000 1.212 668 M CA -0.620 54.623 55.300 -0.094 0.000 0.910 668 M CB 2.488 35.074 32.600 -0.023 0.000 1.725 668 M HN 0.618 nan 8.290 nan 0.000 0.477 669 E N 1.787 121.984 120.200 -0.006 0.000 2.283 669 E HA 0.723 5.073 4.350 0.000 0.000 0.271 669 E C -1.628 175.000 176.600 0.047 0.000 1.031 669 E CA -0.671 55.758 56.400 0.047 0.000 0.868 669 E CB 1.589 31.304 29.700 0.025 0.000 1.094 669 E HN 0.692 nan 8.360 nan 0.000 0.401 670 I N 1.696 122.338 120.570 0.119 0.000 2.603 670 I HA 0.580 4.750 4.170 0.000 0.000 0.300 670 I C -0.607 175.425 176.117 -0.141 0.000 1.017 670 I CA -0.782 60.523 61.300 0.009 0.000 1.098 670 I CB 2.055 40.099 38.000 0.073 0.000 1.279 670 I HN 0.615 nan 8.210 nan 0.000 0.437 671 A N 4.114 126.565 122.820 -0.616 0.000 2.881 671 A HA 0.660 4.980 4.320 0.000 0.000 0.265 671 A C -0.337 176.545 177.584 -1.170 0.000 1.297 671 A CA 0.150 51.485 52.037 -1.169 0.000 0.989 671 A CB 0.046 18.818 19.000 -0.381 0.000 1.421 671 A HN 1.147 nan 8.150 nan 0.000 0.688 672 G N 0.000 107.869 108.800 -1.552 0.000 5.446 672 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 672 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 672 G CA 0.000 44.725 45.100 -0.624 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925