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 2zus_1_C DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR NSDXXHLDXX VLALGKKIYN DATA SEQUENCE AYFPTRAHNE WITLHMDETP QVYLLTDRIL AESDTVDIPL MESFFAEQLK DATA SEQUENCE PNRDADPHKY WEVVDRTTGE VVDSANWTLD ADEDTVHVSG VAAWHEYTVS DATA SEQUENCE FLAYIIWDPV EMYNHLTNDW GDKEHEIPFD IYHPATRKFV FDTFEQWLKD DATA SEQUENCE SPQTDVVRFT TFFYQFTLLF DEKRREKVVD WFGCACTVSP RALDDFEAKY DATA SEQUENCE GYRLRPEDFV DGGAYNSAWR VPRKAQRDWI DFLSGFVREN VKQLADMSHA DATA SEQUENCE AGKEAMMFLG DQWIGTEPYK DGFDELGLDA VVGSIGDGTT TRMIADIPGV DATA SEQUENCE KYTEGRFLPY FFPDTFYEGN DPSIEGLDNW RKARRAILRS PISRMGYGGY DATA SEQUENCE LSLAAKFPKF VDTVTHIANE FRDIHDRTGG VAAEGELNVA ILNSWGKMRS DATA SEQUENCE WMAFTVAHAL PNKQTYSYYG ILESLSGMRV NVRFISFDDV LAHGIDSDID DATA SEQUENCE VIINGGPVDT AFTGGDVWTN PKLVETVRAW VRGGGAFVGV GEPSSAPRFQ DATA SEQUENCE TGRFFQLADV IGVDEERYQT LSVDKYFPPV VPDHFITADV PVDPAAREAW DATA SEQUENCE EQAGYRIPLS GCGGGQSIKP LGGIDFGEPV LNTYPVNENV TLLRADGGQV DATA SEQUENCE QLATNDYGKG RGVYISGLPY SAANARLLER VLFYASHNED KYAAWSSSNP DATA SEQUENCE ECEVAHFPEQ GLYCVINNTD QPQKTTVTLA DGTTEDFDLP DSGIAWRE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.589 174.600 -0.019 0.000 1.055 3 S CA 0.000 58.187 58.200 -0.021 0.000 1.107 3 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 4 T N 2.813 117.361 114.554 -0.010 0.000 2.868 4 T HA 0.847 5.654 4.350 0.761 0.000 0.306 4 T C 0.219 174.926 174.700 0.012 0.000 1.224 4 T CA 1.029 63.124 62.100 -0.009 0.000 1.012 4 T CB 1.147 70.005 68.868 -0.017 0.000 1.221 4 T HN 2.179 nan 8.240 nan 0.000 0.499 5 G N 2.257 111.073 108.800 0.026 0.000 2.627 5 G HA2 -0.051 4.365 3.960 0.761 0.000 0.214 5 G HA3 -0.051 4.365 3.960 0.761 0.000 0.214 5 G C -0.273 174.689 174.900 0.104 0.000 1.331 5 G CA 0.152 45.285 45.100 0.056 0.000 0.891 5 G HN 1.143 nan 8.290 nan 0.000 0.539 6 R N -2.121 118.427 120.500 0.080 0.000 3.641 6 R HA -0.206 4.591 4.340 0.761 0.000 0.286 6 R C -0.119 176.213 176.300 0.053 0.000 1.153 6 R CA 1.503 57.655 56.100 0.086 0.000 0.775 6 R CB -1.747 28.667 30.300 0.190 0.000 1.215 6 R HN 1.329 nan 8.270 nan 0.000 0.474 7 F N -0.732 119.162 119.950 -0.094 0.000 2.588 7 F HA 0.319 5.305 4.527 0.765 0.000 0.318 7 F C -0.573 175.182 175.800 -0.076 0.000 1.155 7 F CA -0.508 57.417 58.000 -0.125 0.000 0.967 7 F CB 1.928 40.868 39.000 -0.100 0.000 1.236 7 F HN -0.171 nan 8.300 nan 0.000 0.455 8 T N 6.864 121.230 114.554 -0.315 0.000 2.779 8 T HA 0.502 5.309 4.350 0.761 0.000 0.280 8 T C -1.180 173.479 174.700 -0.069 0.000 0.987 8 T CA -0.427 61.549 62.100 -0.207 0.000 0.966 8 T CB 1.435 70.060 68.868 -0.405 0.000 0.933 8 T HN 0.524 nan 8.240 nan 0.000 0.442 9 L N 6.484 127.817 121.223 0.184 0.000 2.307 9 L HA 0.600 5.396 4.340 0.761 0.000 0.284 9 L C -2.460 174.510 176.870 0.168 0.000 1.023 9 L CA -2.081 52.973 54.840 0.356 0.000 0.810 9 L CB 1.260 43.562 42.059 0.405 0.000 1.231 9 L HN 0.305 nan 8.230 nan 0.000 0.423 10 P HA 0.212 nan 4.420 nan 0.000 0.284 10 P C -1.144 176.221 177.300 0.109 0.000 1.253 10 P CA -0.365 62.789 63.100 0.089 0.000 0.800 10 P CB 1.650 33.362 31.700 0.021 0.000 0.961 11 S N 1.244 116.986 115.700 0.071 0.000 2.722 11 S HA 0.649 5.576 4.470 0.761 0.000 0.292 11 S C -0.638 173.993 174.600 0.053 0.000 1.135 11 S CA -0.385 57.864 58.200 0.081 0.000 1.003 11 S CB 0.607 63.856 63.200 0.082 0.000 1.067 11 S HN 0.644 nan 8.310 nan 0.000 0.546 12 E N 0.347 120.587 120.200 0.068 0.000 2.422 12 E HA 0.323 5.130 4.350 0.761 0.000 0.280 12 E C -1.582 175.070 176.600 0.086 0.000 1.091 12 E CA -1.060 55.374 56.400 0.056 0.000 0.849 12 E CB 0.328 30.042 29.700 0.023 0.000 1.353 12 E HN 0.570 nan 8.360 nan 0.000 0.449 13 E N 0.619 120.859 120.200 0.068 0.000 2.398 13 E HA 0.124 4.931 4.350 0.761 0.000 0.263 13 E C -0.710 175.957 176.600 0.111 0.000 1.046 13 E CA 0.032 56.472 56.400 0.066 0.000 0.908 13 E CB 0.040 29.759 29.700 0.032 0.000 0.963 13 E HN 0.589 nan 8.360 nan 0.000 0.431 14 N N 0.869 119.630 118.700 0.103 0.000 2.714 14 N HA -0.243 4.954 4.740 0.761 0.000 0.253 14 N C -0.841 174.809 175.510 0.232 0.000 1.024 14 N CA 0.387 53.507 53.050 0.116 0.000 0.726 14 N CB -0.892 37.647 38.487 0.086 0.000 0.908 14 N HN 0.441 nan 8.380 nan 0.000 0.542 15 F N -1.206 118.739 119.950 -0.009 0.000 2.895 15 F HA 0.485 5.470 4.527 0.762 0.000 0.334 15 F C 1.297 177.086 175.800 -0.019 0.000 1.252 15 F CA 0.022 58.015 58.000 -0.012 0.000 1.056 15 F CB 0.113 39.113 39.000 0.001 0.000 1.311 15 F HN 0.181 nan 8.300 nan 0.000 0.506 16 A N 0.041 122.849 122.820 -0.020 0.000 2.225 16 A HA -0.102 4.675 4.320 0.761 0.000 0.215 16 A C 1.956 179.441 177.584 -0.166 0.000 1.164 16 A CA 1.481 53.484 52.037 -0.057 0.000 0.710 16 A CB -0.610 18.373 19.000 -0.028 0.000 0.780 16 A HN 0.682 nan 8.150 nan 0.000 0.473 17 E N 0.311 120.328 120.200 -0.306 0.000 1.993 17 E HA -0.170 4.637 4.350 0.761 0.000 0.198 17 E C 1.578 177.925 176.600 -0.422 0.000 0.999 17 E CA 1.150 57.326 56.400 -0.374 0.000 0.850 17 E CB -0.397 29.030 29.700 -0.455 0.000 0.796 17 E HN 0.366 nan 8.360 nan 0.000 0.482 18 K N 0.146 120.111 120.400 -0.724 0.000 2.365 18 K HA 0.033 4.809 4.320 0.761 0.000 0.197 18 K C 2.165 178.629 176.600 -0.227 0.000 1.042 18 K CA 0.886 56.892 56.287 -0.468 0.000 0.987 18 K CB 0.047 32.287 32.500 -0.434 0.000 0.779 18 K HN 0.218 nan 8.250 nan 0.000 0.484 19 T N 1.985 116.457 114.554 -0.137 0.000 2.652 19 T HA -0.208 4.598 4.350 0.761 0.000 0.267 19 T C 1.762 176.429 174.700 -0.056 0.000 1.039 19 T CA 1.994 64.116 62.100 0.037 0.000 1.153 19 T CB -0.111 68.837 68.868 0.133 0.000 0.863 19 T HN 0.434 nan 8.240 nan 0.000 0.428 20 K N 1.306 121.653 120.400 -0.088 0.000 2.209 20 K HA -0.071 4.705 4.320 0.761 0.000 0.204 20 K C 2.162 178.684 176.600 -0.130 0.000 1.048 20 K CA 1.567 57.799 56.287 -0.091 0.000 0.940 20 K CB -0.099 32.352 32.500 -0.081 0.000 0.729 20 K HN 0.434 nan 8.250 nan 0.000 0.451 21 E N 1.389 121.486 120.200 -0.171 0.000 2.028 21 E HA -0.133 4.674 4.350 0.761 0.000 0.190 21 E C 2.078 178.511 176.600 -0.278 0.000 0.984 21 E CA 0.889 57.170 56.400 -0.198 0.000 0.800 21 E CB -0.049 29.529 29.700 -0.204 0.000 0.758 21 E HN 0.397 nan 8.360 nan 0.000 0.448 22 L N 0.626 121.630 121.223 -0.365 0.000 2.093 22 L HA -0.114 4.683 4.340 0.761 0.000 0.208 22 L C 2.714 179.261 176.870 -0.538 0.000 1.085 22 L CA 0.949 55.375 54.840 -0.691 0.000 0.755 22 L CB -0.458 41.083 42.059 -0.864 0.000 0.904 22 L HN 0.214 nan 8.230 nan 0.000 0.435 23 A N -0.196 122.474 122.820 -0.249 0.000 1.902 23 A HA -0.249 4.527 4.320 0.761 0.000 0.217 23 A C 2.252 179.759 177.584 -0.128 0.000 1.181 23 A CA 1.845 53.814 52.037 -0.113 0.000 0.623 23 A CB -0.439 18.538 19.000 -0.039 0.000 0.818 23 A HN 0.430 nan 8.150 nan 0.000 0.443 24 E N -0.985 119.130 120.200 -0.142 0.000 2.047 24 E HA -0.155 4.652 4.350 0.761 0.000 0.191 24 E C 1.944 178.468 176.600 -0.127 0.000 0.987 24 E CA 1.049 57.380 56.400 -0.115 0.000 0.799 24 E CB -0.177 29.461 29.700 -0.103 0.000 0.752 24 E HN 0.422 nan 8.360 nan 0.000 0.449 25 L N 0.151 121.259 121.223 -0.192 0.000 2.012 25 L HA -0.188 4.609 4.340 0.761 0.000 0.210 25 L C 1.619 178.469 176.870 -0.032 0.000 1.073 25 L CA 1.640 56.381 54.840 -0.165 0.000 0.748 25 L CB -0.446 41.429 42.059 -0.307 0.000 0.891 25 L HN 0.341 nan 8.230 nan 0.000 0.431 26 W N -0.226 120.904 121.300 -0.283 0.000 3.139 26 W HA 0.416 5.535 4.660 0.764 0.000 0.260 26 W C 1.581 177.749 176.519 -0.585 0.000 1.312 26 W CA 0.376 57.407 57.345 -0.524 0.000 1.606 26 W CB -1.280 27.692 29.460 -0.814 0.000 1.118 26 W HN 0.385 nan 8.180 nan 0.000 0.675 27 G N 1.037 109.743 108.800 -0.156 0.000 2.246 27 G HA2 -0.074 4.343 3.960 0.761 0.000 0.273 27 G HA3 -0.074 4.343 3.960 0.761 0.000 0.273 27 G C 0.492 175.324 174.900 -0.113 0.000 1.055 27 G CA -0.023 45.002 45.100 -0.124 0.000 0.851 27 G HN 0.450 nan 8.290 nan 0.000 0.500 28 A N 0.137 122.895 122.820 -0.103 0.000 2.488 28 A HA 0.527 5.303 4.320 0.761 0.000 0.249 28 A C 1.257 178.889 177.584 0.080 0.000 1.083 28 A CA 0.807 52.904 52.037 0.099 0.000 0.768 28 A CB 0.352 19.481 19.000 0.215 0.000 1.017 28 A HN 0.837 nan 8.150 nan 0.000 0.496 29 D N 0.510 120.972 120.400 0.104 0.000 2.441 29 D HA 0.413 5.510 4.640 0.761 0.000 0.210 29 D C 0.235 176.565 176.300 0.049 0.000 1.102 29 D CA 0.728 54.763 54.000 0.059 0.000 0.840 29 D CB 0.167 40.994 40.800 0.046 0.000 0.990 29 D HN 0.615 nan 8.370 nan 0.000 0.505 30 A N 0.152 122.989 122.820 0.030 0.000 2.515 30 A HA 0.748 5.524 4.320 0.761 0.000 0.296 30 A C -1.159 176.371 177.584 -0.091 0.000 1.094 30 A CA -0.787 51.206 52.037 -0.073 0.000 0.718 30 A CB 1.514 20.340 19.000 -0.289 0.000 1.307 30 A HN 0.131 nan 8.150 nan 0.000 0.408 31 I N 0.510 121.020 120.570 -0.101 0.000 2.647 31 I HA 0.520 5.147 4.170 0.761 0.000 0.295 31 I C -0.286 175.791 176.117 -0.067 0.000 1.078 31 I CA -0.803 60.469 61.300 -0.046 0.000 1.048 31 I CB 2.345 40.368 38.000 0.039 0.000 1.239 31 I HN 0.780 nan 8.210 nan 0.000 0.421 32 R N 4.124 124.600 120.500 -0.040 0.000 2.265 32 R HA 0.302 5.099 4.340 0.761 0.000 0.328 32 R C -0.646 175.699 176.300 0.075 0.000 0.969 32 R CA -0.382 55.742 56.100 0.038 0.000 0.832 32 R CB 0.669 30.979 30.300 0.017 0.000 1.139 32 R HN 0.558 nan 8.270 nan 0.000 0.457 33 N N 2.037 120.804 118.700 0.112 0.000 2.454 33 N HA -0.077 5.120 4.740 0.761 0.000 0.260 33 N C 0.689 176.260 175.510 0.102 0.000 1.218 33 N CA 0.934 54.051 53.050 0.111 0.000 0.904 33 N CB 0.948 39.519 38.487 0.140 0.000 1.065 33 N HN 0.785 nan 8.380 nan 0.000 0.462 34 S N 2.142 117.889 115.700 0.078 0.000 2.408 34 S HA -0.257 4.669 4.470 0.761 0.000 0.241 34 S C 0.276 174.928 174.600 0.087 0.000 1.080 34 S CA 1.532 59.767 58.200 0.059 0.000 1.109 34 S CB -0.418 62.816 63.200 0.056 0.000 0.966 34 S HN 0.818 nan 8.310 nan 0.000 0.449 39 L N 1.723 122.975 121.223 0.047 0.000 2.612 39 L HA 0.365 5.162 4.340 0.761 0.000 0.256 39 L C -1.015 175.880 176.870 0.042 0.000 0.949 39 L CA -0.691 54.145 54.840 -0.007 0.000 0.867 39 L CB 2.166 44.229 42.059 0.007 0.000 1.417 39 L HN 0.999 nan 8.230 nan 0.000 0.414 44 L N 1.964 123.204 121.223 0.028 0.000 2.362 44 L HA 0.633 5.430 4.340 0.761 0.000 0.219 44 L C 2.516 179.398 176.870 0.020 0.000 1.134 44 L CA 2.295 57.153 54.840 0.030 0.000 0.807 44 L CB -1.532 40.550 42.059 0.038 0.000 0.927 44 L HN 0.432 nan 8.230 nan 0.000 0.447 45 A N 0.463 123.290 122.820 0.013 0.000 2.076 45 A HA -0.061 4.716 4.320 0.761 0.000 0.220 45 A C 2.272 179.858 177.584 0.003 0.000 1.160 45 A CA 1.703 53.744 52.037 0.006 0.000 0.653 45 A CB -0.873 18.128 19.000 0.001 0.000 0.801 45 A HN 0.550 nan 8.150 nan 0.000 0.455 46 L N -1.137 120.089 121.223 0.004 0.000 2.201 46 L HA 0.001 4.797 4.340 0.761 0.000 0.212 46 L C 1.715 178.590 176.870 0.008 0.000 1.105 46 L CA 0.693 55.534 54.840 0.002 0.000 0.775 46 L CB -0.684 41.376 42.059 0.002 0.000 0.913 46 L HN 0.597 nan 8.230 nan 0.000 0.440 47 G N 1.004 109.813 108.800 0.016 0.000 2.298 47 G HA2 -0.228 4.189 3.960 0.761 0.000 0.287 47 G HA3 -0.228 4.189 3.960 0.761 0.000 0.287 47 G C -0.064 174.852 174.900 0.028 0.000 1.075 47 G CA -0.118 44.995 45.100 0.021 0.000 0.960 47 G HN 0.142 nan 8.290 nan 0.000 0.502 48 K N 0.010 120.431 120.400 0.034 0.000 2.218 48 K HA 0.295 5.072 4.320 0.761 0.000 0.276 48 K C 0.734 177.373 176.600 0.065 0.000 1.022 48 K CA -0.822 55.491 56.287 0.044 0.000 0.946 48 K CB 1.188 33.713 32.500 0.041 0.000 1.000 48 K HN 0.399 nan 8.250 nan 0.000 0.468 49 K N 2.866 123.316 120.400 0.084 0.000 2.430 49 K HA -0.021 4.755 4.320 0.761 0.000 0.280 49 K C -0.231 176.479 176.600 0.184 0.000 1.063 49 K CA 0.039 56.410 56.287 0.140 0.000 1.071 49 K CB 0.192 32.800 32.500 0.180 0.000 0.899 49 K HN 0.344 nan 8.250 nan 0.000 0.473 50 I N 6.335 127.021 120.570 0.192 0.000 2.315 50 I HA 0.096 4.723 4.170 0.761 0.000 0.291 50 I C -0.271 176.059 176.117 0.356 0.000 1.006 50 I CA -0.567 60.858 61.300 0.209 0.000 1.265 50 I CB 0.332 38.413 38.000 0.135 0.000 1.387 50 I HN 0.462 nan 8.210 nan 0.000 0.475 51 Y N 4.693 125.042 120.300 0.082 0.000 2.308 51 Y HA 0.342 5.348 4.550 0.759 0.000 0.329 51 Y C 0.618 176.570 175.900 0.087 0.000 1.111 51 Y CA -0.962 57.183 58.100 0.076 0.000 1.179 51 Y CB 0.676 39.170 38.460 0.058 0.000 1.201 51 Y HN 0.465 nan 8.280 nan 0.000 0.483 52 N N 1.143 119.983 118.700 0.233 0.000 2.352 52 N HA 0.590 5.787 4.740 0.761 0.000 0.291 52 N C -1.059 174.503 175.510 0.087 0.000 1.040 52 N CA -0.503 52.689 53.050 0.237 0.000 0.864 52 N CB 1.543 40.267 38.487 0.395 0.000 1.440 52 N HN 0.713 nan 8.380 nan 0.000 0.483 53 A N 2.461 125.268 122.820 -0.021 0.000 2.425 53 A HA 0.361 5.138 4.320 0.761 0.000 0.249 53 A C -1.040 176.216 177.584 -0.547 0.000 1.084 53 A CA 0.183 51.998 52.037 -0.370 0.000 0.781 53 A CB 0.003 18.721 19.000 -0.471 0.000 1.019 53 A HN 0.675 nan 8.150 nan 0.000 0.490 54 Y N 0.561 120.265 120.300 -0.994 0.000 2.425 54 Y HA 0.584 5.590 4.550 0.760 0.000 0.344 54 Y C -1.303 174.057 175.900 -0.900 0.000 0.969 54 Y CA -1.026 56.508 58.100 -0.944 0.000 1.052 54 Y CB 1.800 39.651 38.460 -1.015 0.000 1.215 54 Y HN 0.539 nan 8.280 nan 0.000 0.451 55 F N 7.326 126.898 119.950 -0.630 0.000 2.366 55 F HA 0.391 5.373 4.527 0.759 0.000 0.357 55 F C -1.959 173.660 175.800 -0.301 0.000 1.107 55 F CA -2.029 55.761 58.000 -0.350 0.000 1.208 55 F CB 0.900 39.738 39.000 -0.271 0.000 1.464 55 F HN 0.424 nan 8.300 nan 0.000 0.501 56 P HA -0.136 nan 4.420 nan 0.000 0.216 56 P C 1.224 178.582 177.300 0.097 0.000 1.150 56 P CA 1.557 64.740 63.100 0.138 0.000 0.837 56 P CB 0.112 31.872 31.700 0.100 0.000 0.786 57 T N -3.765 110.711 114.554 -0.130 0.000 3.266 57 T HA 0.339 5.146 4.350 0.761 0.000 0.278 57 T C 0.380 174.437 174.700 -1.071 0.000 1.010 57 T CA -0.676 61.031 62.100 -0.656 0.000 0.909 57 T CB -0.281 68.374 68.868 -0.357 0.000 1.122 57 T HN 0.173 nan 8.240 nan 0.000 0.536 58 R N -1.054 119.182 120.500 -0.441 0.000 2.906 58 R HA 0.751 5.548 4.340 0.761 0.000 0.258 58 R C -0.283 176.157 176.300 0.234 0.000 1.156 58 R CA -0.705 55.322 56.100 -0.120 0.000 0.996 58 R CB 0.274 30.539 30.300 -0.058 0.000 1.259 58 R HN 0.466 nan 8.270 nan 0.000 0.462 59 A N -0.007 122.919 122.820 0.177 0.000 2.969 59 A HA -0.136 4.641 4.320 0.761 0.000 0.252 59 A C -0.566 176.918 177.584 -0.166 0.000 1.377 59 A CA 1.121 53.148 52.037 -0.017 0.000 0.859 59 A CB -2.407 16.490 19.000 -0.172 0.000 1.077 59 A HN 0.771 nan 8.150 nan 0.000 0.671 60 H N -0.975 118.345 119.070 0.417 0.000 2.823 60 H HA 0.166 5.178 4.556 0.761 0.000 0.222 60 H C 0.896 176.347 175.328 0.205 0.000 1.414 60 H CA -0.163 56.086 56.048 0.334 0.000 1.289 60 H CB -0.051 29.973 29.762 0.436 0.000 1.970 60 H HN 0.424 nan 8.280 nan 0.000 0.517 61 N N 1.084 119.917 118.700 0.222 0.000 2.272 61 N HA -0.165 5.032 4.740 0.761 0.000 0.185 61 N C 2.106 177.640 175.510 0.040 0.000 1.014 61 N CA 1.057 54.179 53.050 0.120 0.000 0.870 61 N CB 0.253 38.779 38.487 0.065 0.000 0.975 61 N HN 0.624 nan 8.380 nan 0.000 0.433 62 E N 0.120 120.365 120.200 0.074 0.000 2.204 62 E HA -0.212 4.595 4.350 0.761 0.000 0.195 62 E C 1.754 178.333 176.600 -0.035 0.000 0.990 62 E CA 0.708 57.126 56.400 0.031 0.000 0.821 62 E CB -0.743 29.016 29.700 0.098 0.000 0.750 62 E HN 0.621 nan 8.360 nan 0.000 0.477 63 W N 1.202 122.324 121.300 -0.298 0.000 2.463 63 W HA -0.072 5.044 4.660 0.760 0.000 0.316 63 W C 2.037 178.376 176.519 -0.300 0.000 1.170 63 W CA 0.885 57.893 57.345 -0.561 0.000 1.355 63 W CB -0.443 28.122 29.460 -1.493 0.000 1.159 63 W HN 0.091 nan 8.180 nan 0.000 0.487 64 I N 2.476 122.835 120.570 -0.351 0.000 2.394 64 I HA -0.253 4.373 4.170 0.761 0.000 0.251 64 I C 2.564 178.512 176.117 -0.281 0.000 1.136 64 I CA 2.481 63.610 61.300 -0.285 0.000 1.425 64 I CB -0.732 37.349 38.000 0.135 0.000 1.079 64 I HN 0.093 nan 8.210 nan 0.000 0.425 65 T N -1.737 112.680 114.554 -0.228 0.000 3.025 65 T HA -0.135 4.672 4.350 0.761 0.000 0.270 65 T C 1.694 176.176 174.700 -0.362 0.000 1.126 65 T CA 1.203 63.161 62.100 -0.236 0.000 1.105 65 T CB -0.663 68.107 68.868 -0.163 0.000 0.884 65 T HN 0.407 nan 8.240 nan 0.000 0.522 66 L N -0.074 120.805 121.223 -0.572 0.000 2.529 66 L HA 0.223 5.020 4.340 0.761 0.000 0.223 66 L C 0.818 176.976 176.870 -1.188 0.000 1.113 66 L CA 0.375 54.701 54.840 -0.858 0.000 0.861 66 L CB -0.017 41.424 42.059 -1.031 0.000 1.012 66 L HN 0.432 nan 8.230 nan 0.000 0.461 67 H N -0.698 118.043 119.070 -0.548 0.000 2.712 67 H HA 0.213 5.225 4.556 0.761 0.000 0.226 67 H C 0.880 176.010 175.328 -0.330 0.000 1.422 67 H CA -0.326 55.454 56.048 -0.448 0.000 1.270 67 H CB 0.861 30.281 29.762 -0.570 0.000 1.891 67 H HN 0.068 nan 8.280 nan 0.000 0.518 68 M N 0.970 120.410 119.600 -0.265 0.000 2.374 68 M HA -0.093 4.843 4.480 0.761 0.000 0.264 68 M C 1.328 177.362 176.300 -0.443 0.000 1.067 68 M CA 1.040 56.156 55.300 -0.307 0.000 1.103 68 M CB -0.536 31.870 32.600 -0.323 0.000 1.402 68 M HN 0.405 nan 8.290 nan 0.000 0.444 69 D N -0.329 119.874 120.400 -0.328 0.000 2.378 69 D HA -0.130 4.966 4.640 0.761 0.000 0.227 69 D C 0.667 176.876 176.300 -0.152 0.000 1.012 69 D CA 0.624 54.489 54.000 -0.226 0.000 0.905 69 D CB -0.489 40.272 40.800 -0.065 0.000 0.895 69 D HN 0.440 nan 8.370 nan 0.000 0.532 70 E N 0.231 120.336 120.200 -0.157 0.000 2.548 70 E HA 0.050 4.857 4.350 0.761 0.000 0.206 70 E C 0.234 176.964 176.600 0.217 0.000 1.005 70 E CA -0.151 56.190 56.400 -0.099 0.000 0.951 70 E CB 0.544 30.227 29.700 -0.030 0.000 1.035 70 E HN 0.338 nan 8.360 nan 0.000 0.470 71 T N -0.035 114.612 114.554 0.154 0.000 2.898 71 T HA 0.202 5.009 4.350 0.761 0.000 0.301 71 T C -2.394 172.501 174.700 0.325 0.000 1.049 71 T CA -1.749 60.496 62.100 0.242 0.000 1.095 71 T CB 0.899 69.855 68.868 0.146 0.000 0.976 71 T HN -0.240 nan 8.240 nan 0.000 0.539 72 P HA 0.266 nan 4.420 nan 0.000 0.271 72 P C -0.552 176.869 177.300 0.201 0.000 1.233 72 P CA -0.336 62.933 63.100 0.282 0.000 0.789 72 P CB 0.353 32.205 31.700 0.253 0.000 0.951 73 Q N -0.824 119.033 119.800 0.095 0.000 2.501 73 Q HA 0.751 5.548 4.340 0.761 0.000 0.288 73 Q C -1.681 174.200 176.000 -0.199 0.000 1.051 73 Q CA -1.050 54.707 55.803 -0.077 0.000 0.788 73 Q CB 2.862 31.492 28.738 -0.180 0.000 1.469 73 Q HN 0.224 nan 8.270 nan 0.000 0.416 74 V N 0.815 120.531 119.914 -0.329 0.000 2.891 74 V HA 0.412 4.989 4.120 0.761 0.000 0.304 74 V C -1.926 173.861 176.094 -0.511 0.000 1.171 74 V CA -0.504 61.584 62.300 -0.352 0.000 0.943 74 V CB 1.611 33.301 31.823 -0.221 0.000 1.037 74 V HN 0.756 nan 8.190 nan 0.000 0.427 75 Y N 6.133 126.182 120.300 -0.418 0.000 2.496 75 Y HA 0.425 5.431 4.550 0.759 0.000 0.334 75 Y C 0.492 176.165 175.900 -0.378 0.000 1.080 75 Y CA 0.272 58.109 58.100 -0.439 0.000 1.355 75 Y CB 0.787 39.048 38.460 -0.331 0.000 1.193 75 Y HN 0.459 nan 8.280 nan 0.000 0.523 76 L N 5.114 125.987 121.223 -0.583 0.000 2.325 76 L HA 0.405 5.202 4.340 0.761 0.000 0.278 76 L C -0.874 175.816 176.870 -0.300 0.000 1.023 76 L CA -1.143 53.358 54.840 -0.566 0.000 0.811 76 L CB 1.526 42.746 42.059 -1.398 0.000 1.249 76 L HN 0.434 nan 8.230 nan 0.000 0.431 77 L N 2.721 124.032 121.223 0.145 0.000 2.272 77 L HA 0.404 5.200 4.340 0.761 0.000 0.289 77 L C 0.610 177.694 176.870 0.357 0.000 1.032 77 L CA 0.044 54.968 54.840 0.140 0.000 0.810 77 L CB 1.505 43.544 42.059 -0.032 0.000 1.205 77 L HN 0.750 nan 8.230 nan 0.000 0.422 78 T N 0.819 115.555 114.554 0.303 0.000 2.701 78 T HA 0.184 4.991 4.350 0.761 0.000 0.303 78 T C 0.236 175.008 174.700 0.121 0.000 1.030 78 T CA -0.711 61.555 62.100 0.277 0.000 1.010 78 T CB 0.234 69.212 68.868 0.183 0.000 1.007 78 T HN 0.562 nan 8.240 nan 0.000 0.532 79 D N 0.680 121.111 120.400 0.052 0.000 2.390 79 D HA 0.114 5.210 4.640 0.761 0.000 0.236 79 D C 0.449 176.772 176.300 0.038 0.000 1.189 79 D CA 0.168 54.180 54.000 0.020 0.000 0.887 79 D CB 0.345 41.144 40.800 -0.003 0.000 1.198 79 D HN 0.463 nan 8.370 nan 0.000 0.444 80 R N 1.096 121.613 120.500 0.029 0.000 2.316 80 R HA 0.256 5.052 4.340 0.761 0.000 0.314 80 R C -0.231 176.102 176.300 0.054 0.000 1.069 80 R CA -0.305 55.817 56.100 0.036 0.000 0.959 80 R CB 0.573 30.884 30.300 0.018 0.000 0.987 80 R HN 0.262 nan 8.270 nan 0.000 0.446 81 I N 4.582 125.203 120.570 0.085 0.000 2.378 81 I HA 0.164 4.791 4.170 0.761 0.000 0.291 81 I C -0.185 176.016 176.117 0.140 0.000 0.992 81 I CA -1.183 60.173 61.300 0.095 0.000 1.154 81 I CB 1.257 39.306 38.000 0.082 0.000 1.315 81 I HN 0.448 nan 8.210 nan 0.000 0.448 82 L N 6.450 127.745 121.223 0.119 0.000 2.313 82 L HA 0.547 5.344 4.340 0.761 0.000 0.282 82 L C 0.452 177.378 176.870 0.095 0.000 1.092 82 L CA 0.126 55.053 54.840 0.145 0.000 0.831 82 L CB 0.730 42.885 42.059 0.160 0.000 1.159 82 L HN 0.733 nan 8.230 nan 0.000 0.442 83 A N 4.559 127.449 122.820 0.116 0.000 2.354 83 A HA 0.445 5.222 4.320 0.761 0.000 0.269 83 A C 0.483 177.852 177.584 -0.359 0.000 1.109 83 A CA -0.310 51.692 52.037 -0.058 0.000 0.800 83 A CB 0.185 19.192 19.000 0.011 0.000 1.045 83 A HN 0.884 nan 8.150 nan 0.000 0.489 84 E N 0.743 120.638 120.200 -0.508 0.000 2.660 84 E HA 0.162 4.969 4.350 0.761 0.000 0.216 84 E C 0.009 176.167 176.600 -0.736 0.000 0.986 84 E CA 0.514 56.306 56.400 -1.013 0.000 1.037 84 E CB 0.418 29.759 29.700 -0.599 0.000 1.041 84 E HN 0.785 nan 8.360 nan 0.000 0.480 85 S N 0.123 115.542 115.700 -0.469 0.000 3.003 85 S HA 0.082 5.008 4.470 0.761 0.000 0.313 85 S C -0.264 174.194 174.600 -0.237 0.000 1.230 85 S CA -0.469 57.553 58.200 -0.297 0.000 0.977 85 S CB 0.530 63.624 63.200 -0.177 0.000 1.340 85 S HN 0.002 nan 8.310 nan 0.000 0.608 86 D N 1.147 121.453 120.400 -0.157 0.000 2.328 86 D HA 0.194 5.291 4.640 0.761 0.000 0.226 86 D C 0.799 177.014 176.300 -0.141 0.000 1.066 86 D CA 0.613 54.531 54.000 -0.136 0.000 0.861 86 D CB -0.424 40.323 40.800 -0.087 0.000 0.912 86 D HN 0.747 nan 8.370 nan 0.000 0.521 87 T N -3.419 111.050 114.554 -0.143 0.000 2.916 87 T HA 0.687 5.493 4.350 0.761 0.000 0.292 87 T C -0.640 173.973 174.700 -0.146 0.000 1.064 87 T CA -1.011 61.014 62.100 -0.125 0.000 1.011 87 T CB 2.290 71.117 68.868 -0.068 0.000 1.152 87 T HN 0.038 nan 8.240 nan 0.000 0.510 88 V N 0.720 120.561 119.914 -0.122 0.000 2.950 88 V HA 0.432 5.009 4.120 0.761 0.000 0.295 88 V C -2.110 173.964 176.094 -0.033 0.000 1.297 88 V CA -0.768 61.472 62.300 -0.100 0.000 0.962 88 V CB 2.277 33.995 31.823 -0.174 0.000 1.081 88 V HN 1.098 nan 8.190 nan 0.000 0.432 89 D N 5.645 126.049 120.400 0.008 0.000 2.193 89 D HA 0.600 5.696 4.640 0.761 0.000 0.244 89 D C -0.428 175.860 176.300 -0.020 0.000 1.064 89 D CA 0.249 54.260 54.000 0.018 0.000 0.845 89 D CB 2.031 42.876 40.800 0.075 0.000 1.148 89 D HN 0.523 nan 8.370 nan 0.000 0.464 90 I N 3.986 124.521 120.570 -0.059 0.000 2.382 90 I HA 0.231 4.857 4.170 0.761 0.000 0.285 90 I C -2.258 173.814 176.117 -0.074 0.000 1.007 90 I CA -2.069 59.202 61.300 -0.048 0.000 1.142 90 I CB 2.042 40.014 38.000 -0.047 0.000 1.289 90 I HN -0.012 nan 8.210 nan 0.000 0.453 91 P HA 0.156 nan 4.420 nan 0.000 0.271 91 P C 0.398 177.664 177.300 -0.056 0.000 1.216 91 P CA -0.161 62.910 63.100 -0.047 0.000 0.776 91 P CB 1.387 33.082 31.700 -0.008 0.000 0.881 92 L N 1.623 122.765 121.223 -0.134 0.000 2.202 92 L HA 0.076 4.872 4.340 0.761 0.000 0.205 92 L C 2.025 178.949 176.870 0.091 0.000 1.083 92 L CA 1.188 55.878 54.840 -0.251 0.000 0.790 92 L CB -0.432 41.108 42.059 -0.864 0.000 0.942 92 L HN 0.300 nan 8.230 nan 0.000 0.452 93 M N -1.142 118.520 119.600 0.104 0.000 2.308 93 M HA 0.084 5.021 4.480 0.761 0.000 0.269 93 M C 1.651 178.082 176.300 0.217 0.000 1.040 93 M CA 0.436 55.895 55.300 0.265 0.000 1.024 93 M CB 0.225 32.922 32.600 0.161 0.000 1.465 93 M HN 0.152 nan 8.290 nan 0.000 0.517 94 E N 0.735 121.002 120.200 0.112 0.000 2.219 94 E HA -0.165 4.642 4.350 0.761 0.000 0.198 94 E C 1.546 178.151 176.600 0.008 0.000 0.998 94 E CA 1.769 58.204 56.400 0.058 0.000 0.818 94 E CB 0.108 29.825 29.700 0.027 0.000 0.741 94 E HN 0.467 nan 8.360 nan 0.000 0.477 95 S N -0.711 114.928 115.700 -0.102 0.000 2.540 95 S HA 0.129 5.056 4.470 0.761 0.000 0.218 95 S C 0.147 174.483 174.600 -0.439 0.000 0.977 95 S CA -0.492 57.523 58.200 -0.308 0.000 0.918 95 S CB 0.160 63.080 63.200 -0.466 0.000 0.806 95 S HN -0.045 nan 8.310 nan 0.000 0.496 96 F N 1.067 121.109 119.950 0.155 0.000 2.538 96 F HA 0.570 5.552 4.527 0.759 0.000 0.325 96 F C -0.216 175.754 175.800 0.284 0.000 1.066 96 F CA -2.046 56.074 58.000 0.200 0.000 0.946 96 F CB 0.746 39.861 39.000 0.192 0.000 1.199 96 F HN 0.032 nan 8.300 nan 0.000 0.473 97 F N 2.292 122.446 119.950 0.339 0.000 2.466 97 F HA 0.406 5.389 4.527 0.760 0.000 0.363 97 F C 0.955 176.894 175.800 0.231 0.000 1.109 97 F CA -1.346 56.805 58.000 0.250 0.000 1.161 97 F CB 0.492 39.647 39.000 0.257 0.000 1.117 97 F HN 0.565 nan 8.300 nan 0.000 0.539 98 A N 4.975 127.870 122.820 0.125 0.000 2.168 98 A HA -0.041 4.736 4.320 0.761 0.000 0.215 98 A C 1.882 179.347 177.584 -0.199 0.000 1.152 98 A CA 0.848 52.885 52.037 0.000 0.000 0.716 98 A CB -0.493 18.550 19.000 0.071 0.000 0.794 98 A HN 0.770 nan 8.150 nan 0.000 0.465 99 E N -0.712 119.115 120.200 -0.622 0.000 2.358 99 E HA -0.141 4.666 4.350 0.761 0.000 0.195 99 E C 1.801 178.246 176.600 -0.258 0.000 1.010 99 E CA 0.780 56.852 56.400 -0.545 0.000 0.856 99 E CB 0.041 29.273 29.700 -0.780 0.000 0.795 99 E HN 0.832 nan 8.360 nan 0.000 0.504 100 Q N -0.029 119.589 119.800 -0.302 0.000 2.396 100 Q HA 0.132 4.929 4.340 0.761 0.000 0.220 100 Q C 0.003 176.033 176.000 0.050 0.000 0.900 100 Q CA 0.242 56.053 55.803 0.014 0.000 0.925 100 Q CB 0.721 29.493 28.738 0.058 0.000 1.065 100 Q HN 0.086 nan 8.270 nan 0.000 0.535 101 L N 1.010 122.251 121.223 0.029 0.000 2.455 101 L HA 0.521 5.318 4.340 0.761 0.000 0.264 101 L C -1.096 175.823 176.870 0.082 0.000 0.968 101 L CA -0.636 54.232 54.840 0.047 0.000 0.827 101 L CB 2.411 44.473 42.059 0.005 0.000 1.317 101 L HN -0.192 nan 8.230 nan 0.000 0.407 102 K N 3.748 124.219 120.400 0.118 0.000 2.565 102 K HA 0.518 5.295 4.320 0.761 0.000 0.249 102 K C -2.776 173.945 176.600 0.202 0.000 0.958 102 K CA -1.640 54.744 56.287 0.162 0.000 0.806 102 K CB 2.557 35.161 32.500 0.174 0.000 1.194 102 K HN 0.094 nan 8.250 nan 0.000 0.434 103 P HA -0.066 nan 4.420 nan 0.000 0.264 103 P C -1.042 176.381 177.300 0.206 0.000 1.183 103 P CA -0.103 63.133 63.100 0.227 0.000 0.763 103 P CB 0.394 32.123 31.700 0.048 0.000 0.807 104 N N 3.124 121.890 118.700 0.111 0.000 2.415 104 N HA 0.053 5.249 4.740 0.761 0.000 0.250 104 N C 0.637 176.269 175.510 0.203 0.000 1.127 104 N CA 0.133 53.121 53.050 -0.103 0.000 0.945 104 N CB -0.028 38.127 38.487 -0.553 0.000 1.196 104 N HN 0.221 nan 8.380 nan 0.000 0.499 105 R N 1.800 122.416 120.500 0.194 0.000 2.280 105 R HA 0.082 4.879 4.340 0.761 0.000 0.195 105 R C 0.398 176.736 176.300 0.063 0.000 0.935 105 R CA 0.176 56.343 56.100 0.112 0.000 1.033 105 R CB 0.509 30.873 30.300 0.106 0.000 0.964 105 R HN 0.530 nan 8.270 nan 0.000 0.489 106 D N 1.497 121.964 120.400 0.112 0.000 2.103 106 D HA -0.061 5.036 4.640 0.761 0.000 0.199 106 D C 0.542 176.866 176.300 0.041 0.000 0.978 106 D CA 0.882 54.936 54.000 0.090 0.000 0.829 106 D CB 0.018 40.914 40.800 0.160 0.000 0.981 106 D HN 0.116 nan 8.370 nan 0.000 0.464 107 A N 1.599 124.416 122.820 -0.004 0.000 2.302 107 A HA 0.092 4.868 4.320 0.761 0.000 0.295 107 A C -0.192 177.423 177.584 0.052 0.000 1.235 107 A CA -0.447 51.569 52.037 -0.036 0.000 0.876 107 A CB 0.327 19.127 19.000 -0.334 0.000 1.133 107 A HN -0.080 nan 8.150 nan 0.000 0.533 108 D N 4.256 124.745 120.400 0.148 0.000 3.304 108 D HA -0.055 5.042 4.640 0.761 0.000 0.241 108 D C -1.387 174.893 176.300 -0.033 0.000 1.310 108 D CA -0.679 53.361 54.000 0.067 0.000 0.884 108 D CB 0.457 41.317 40.800 0.101 0.000 1.167 108 D HN 0.239 nan 8.370 nan 0.000 0.598 109 P HA -0.176 nan 4.420 nan 0.000 0.217 109 P C 0.648 177.742 177.300 -0.344 0.000 1.148 109 P CA 1.392 63.873 63.100 -1.032 0.000 0.834 109 P CB 0.029 30.917 31.700 -1.354 0.000 0.783 110 H N -1.614 117.352 119.070 -0.173 0.000 2.495 110 H HA 0.004 5.017 4.556 0.762 0.000 0.287 110 H C 2.031 177.342 175.328 -0.029 0.000 1.033 110 H CA 1.089 57.056 56.048 -0.137 0.000 1.307 110 H CB -0.051 29.504 29.762 -0.345 0.000 1.401 110 H HN 0.103 nan 8.280 nan 0.000 0.555 111 K N -0.187 120.213 120.400 -0.001 0.000 2.137 111 K HA -0.062 4.715 4.320 0.761 0.000 0.202 111 K C 0.540 177.012 176.600 -0.213 0.000 1.052 111 K CA 0.922 57.090 56.287 -0.199 0.000 0.961 111 K CB 0.301 32.522 32.500 -0.465 0.000 0.741 111 K HN 0.288 nan 8.250 nan 0.000 0.452 112 Y N -1.517 118.905 120.300 0.205 0.000 2.444 112 Y HA 0.154 5.160 4.550 0.761 0.000 0.249 112 Y C 0.022 176.323 175.900 0.668 0.000 1.134 112 Y CA -0.619 57.702 58.100 0.368 0.000 1.261 112 Y CB 0.504 39.156 38.460 0.319 0.000 1.143 112 Y HN 0.011 nan 8.280 nan 0.000 0.523 113 W N 0.834 122.360 121.300 0.377 0.000 2.655 113 W HA 0.601 5.719 4.660 0.763 0.000 0.358 113 W C -0.448 176.203 176.519 0.221 0.000 1.100 113 W CA -1.869 55.662 57.345 0.310 0.000 1.195 113 W CB 0.690 30.309 29.460 0.266 0.000 1.403 113 W HN -0.282 nan 8.180 nan 0.000 0.589 114 E N 0.610 120.980 120.200 0.284 0.000 2.256 114 E HA 0.438 5.245 4.350 0.761 0.000 0.268 114 E C -1.424 175.151 176.600 -0.041 0.000 0.877 114 E CA -0.775 55.712 56.400 0.145 0.000 0.757 114 E CB 2.860 32.595 29.700 0.058 0.000 1.183 114 E HN 0.017 nan 8.360 nan 0.000 0.418 115 V N 3.497 123.342 119.914 -0.114 0.000 2.407 115 V HA 0.319 4.896 4.120 0.761 0.000 0.278 115 V C -0.276 175.827 176.094 0.015 0.000 1.037 115 V CA -0.550 61.633 62.300 -0.195 0.000 0.900 115 V CB 1.516 33.052 31.823 -0.478 0.000 0.983 115 V HN 0.392 nan 8.190 nan 0.000 0.459 116 V N 3.685 123.621 119.914 0.036 0.000 2.487 116 V HA 0.341 4.918 4.120 0.761 0.000 0.298 116 V C -0.331 175.802 176.094 0.065 0.000 1.028 116 V CA -0.722 61.610 62.300 0.053 0.000 0.860 116 V CB 2.083 33.901 31.823 -0.008 0.000 0.991 116 V HN 0.909 nan 8.190 nan 0.000 0.427 117 D N 4.620 125.048 120.400 0.047 0.000 2.359 117 D HA 0.128 5.225 4.640 0.761 0.000 0.250 117 D C 1.206 177.386 176.300 -0.201 0.000 1.264 117 D CA -0.148 53.716 54.000 -0.227 0.000 0.911 117 D CB 0.791 41.562 40.800 -0.047 0.000 1.056 117 D HN 0.311 nan 8.370 nan 0.000 0.499 118 R N 2.232 122.586 120.500 -0.243 0.000 2.189 118 R HA -0.029 4.768 4.340 0.761 0.000 0.218 118 R C 1.552 177.752 176.300 -0.167 0.000 1.074 118 R CA 0.627 56.635 56.100 -0.154 0.000 0.991 118 R CB -0.425 29.804 30.300 -0.119 0.000 0.883 118 R HN 0.439 nan 8.270 nan 0.000 0.457 119 T N 0.188 114.594 114.554 -0.248 0.000 2.915 119 T HA -0.083 4.724 4.350 0.761 0.000 0.269 119 T C 1.716 176.255 174.700 -0.269 0.000 1.071 119 T CA 1.848 63.769 62.100 -0.299 0.000 1.132 119 T CB -0.013 68.536 68.868 -0.530 0.000 0.878 119 T HN 0.475 nan 8.240 nan 0.000 0.479 120 T N -2.394 112.045 114.554 -0.192 0.000 2.971 120 T HA 0.452 5.259 4.350 0.761 0.000 0.252 120 T C 1.876 176.543 174.700 -0.055 0.000 1.022 120 T CA 0.762 62.804 62.100 -0.096 0.000 0.980 120 T CB 0.213 69.073 68.868 -0.013 0.000 1.044 120 T HN 0.407 nan 8.240 nan 0.000 0.501 121 G N 1.607 110.369 108.800 -0.064 0.000 2.189 121 G HA2 -0.226 4.190 3.960 0.761 0.000 0.267 121 G HA3 -0.226 4.190 3.960 0.761 0.000 0.267 121 G C -0.125 174.768 174.900 -0.012 0.000 0.975 121 G CA 0.205 45.280 45.100 -0.042 0.000 0.644 121 G HN 0.599 nan 8.290 nan 0.000 0.537 122 E N 0.102 120.310 120.200 0.014 0.000 2.331 122 E HA 0.447 5.254 4.350 0.761 0.000 0.272 122 E C 0.694 177.336 176.600 0.070 0.000 1.036 122 E CA -0.546 55.882 56.400 0.047 0.000 0.864 122 E CB 1.684 31.427 29.700 0.071 0.000 1.035 122 E HN 0.150 nan 8.360 nan 0.000 0.408 123 V N 2.988 122.949 119.914 0.078 0.000 2.508 123 V HA 0.009 4.586 4.120 0.761 0.000 0.281 123 V C 0.431 176.619 176.094 0.156 0.000 1.041 123 V CA -0.410 61.955 62.300 0.108 0.000 1.016 123 V CB 1.108 32.992 31.823 0.101 0.000 0.984 123 V HN 0.351 nan 8.190 nan 0.000 0.478 124 V N 5.096 125.130 119.914 0.201 0.000 2.508 124 V HA 0.054 4.631 4.120 0.761 0.000 0.281 124 V C 0.788 177.068 176.094 0.310 0.000 1.041 124 V CA -0.231 62.219 62.300 0.249 0.000 1.016 124 V CB 0.915 32.898 31.823 0.267 0.000 0.984 124 V HN 0.915 nan 8.190 nan 0.000 0.478 125 D N 3.539 124.079 120.400 0.233 0.000 2.533 125 D HA -0.068 5.029 4.640 0.761 0.000 0.236 125 D C 1.314 177.755 176.300 0.235 0.000 1.137 125 D CA 0.423 54.539 54.000 0.193 0.000 0.867 125 D CB 1.091 41.956 40.800 0.109 0.000 1.170 125 D HN 0.600 nan 8.370 nan 0.000 0.474 126 S N 2.795 118.599 115.700 0.174 0.000 2.407 126 S HA -0.241 4.685 4.470 0.761 0.000 0.235 126 S C 1.793 176.185 174.600 -0.346 0.000 1.036 126 S CA 1.498 59.671 58.200 -0.045 0.000 1.013 126 S CB -0.020 63.174 63.200 -0.009 0.000 0.820 126 S HN 0.660 nan 8.310 nan 0.000 0.476 127 A N 0.774 123.488 122.820 -0.176 0.000 2.121 127 A HA 0.005 4.781 4.320 0.761 0.000 0.218 127 A C 1.616 179.140 177.584 -0.099 0.000 1.154 127 A CA 1.238 53.163 52.037 -0.187 0.000 0.679 127 A CB -0.456 18.479 19.000 -0.107 0.000 0.795 127 A HN 0.622 nan 8.150 nan 0.000 0.458 128 N N -0.625 118.082 118.700 0.011 0.000 2.336 128 N HA 0.108 5.305 4.740 0.761 0.000 0.189 128 N C -0.018 175.639 175.510 0.244 0.000 1.113 128 N CA 0.242 53.359 53.050 0.112 0.000 0.858 128 N CB 0.190 38.765 38.487 0.147 0.000 0.970 128 N HN 0.824 nan 8.380 nan 0.000 0.471 129 W N -0.081 121.296 121.300 0.129 0.000 3.029 129 W HA 0.602 5.720 4.660 0.762 0.000 0.339 129 W C -0.975 175.689 176.519 0.243 0.000 1.198 129 W CA -0.929 56.505 57.345 0.149 0.000 1.148 129 W CB 0.276 29.807 29.460 0.118 0.000 1.451 129 W HN -0.231 nan 8.180 nan 0.000 0.564 130 T N -0.277 114.582 114.554 0.507 0.000 2.903 130 T HA 0.569 5.376 4.350 0.761 0.000 0.299 130 T C -1.479 173.476 174.700 0.424 0.000 1.093 130 T CA -0.810 61.512 62.100 0.370 0.000 1.002 130 T CB 2.351 71.364 68.868 0.242 0.000 1.127 130 T HN 0.543 nan 8.240 nan 0.000 0.488 131 L N 2.213 123.614 121.223 0.297 0.000 2.264 131 L HA 0.419 5.215 4.340 0.761 0.000 0.289 131 L C 0.198 177.156 176.870 0.148 0.000 1.044 131 L CA -0.214 54.747 54.840 0.203 0.000 0.807 131 L CB 0.659 42.797 42.059 0.131 0.000 1.192 131 L HN 0.836 nan 8.230 nan 0.000 0.425 132 D N 3.668 124.127 120.400 0.099 0.000 2.533 132 D HA -0.044 5.053 4.640 0.761 0.000 0.236 132 D C 0.878 177.239 176.300 0.102 0.000 1.137 132 D CA 0.692 54.784 54.000 0.154 0.000 0.867 132 D CB 1.646 42.526 40.800 0.133 0.000 1.170 132 D HN 0.850 nan 8.370 nan 0.000 0.474 133 A N 4.164 127.043 122.820 0.099 0.000 2.019 133 A HA -0.171 4.606 4.320 0.761 0.000 0.219 133 A C 1.496 179.113 177.584 0.055 0.000 1.164 133 A CA 1.307 53.383 52.037 0.064 0.000 0.644 133 A CB 0.156 19.187 19.000 0.051 0.000 0.805 133 A HN 0.642 nan 8.150 nan 0.000 0.449 134 D N -1.096 119.341 120.400 0.062 0.000 2.454 134 D HA 0.094 5.191 4.640 0.761 0.000 0.219 134 D C 0.442 176.769 176.300 0.045 0.000 1.081 134 D CA 0.593 54.623 54.000 0.049 0.000 0.867 134 D CB 0.391 41.220 40.800 0.048 0.000 1.054 134 D HN 0.850 nan 8.370 nan 0.000 0.500 135 E N 0.186 120.415 120.200 0.048 0.000 2.416 135 E HA 0.313 5.120 4.350 0.761 0.000 0.273 135 E C -1.242 175.365 176.600 0.011 0.000 0.935 135 E CA -0.783 55.635 56.400 0.031 0.000 0.784 135 E CB 1.309 31.028 29.700 0.032 0.000 1.301 135 E HN -0.360 nan 8.360 nan 0.000 0.454 136 D N 1.636 122.031 120.400 -0.008 0.000 2.608 136 D HA 0.207 5.304 4.640 0.761 0.000 0.224 136 D C -0.891 175.354 176.300 -0.092 0.000 1.123 136 D CA 0.235 54.206 54.000 -0.048 0.000 1.030 136 D CB 0.302 41.062 40.800 -0.067 0.000 1.093 136 D HN 0.271 nan 8.370 nan 0.000 0.497 137 T N -0.193 114.299 114.554 -0.103 0.000 2.952 137 T HA 0.315 5.122 4.350 0.761 0.000 0.305 137 T C -0.080 174.464 174.700 -0.260 0.000 1.064 137 T CA -0.565 61.427 62.100 -0.179 0.000 1.008 137 T CB 2.413 71.162 68.868 -0.198 0.000 1.078 137 T HN -0.166 nan 8.240 nan 0.000 0.459 138 V N 4.231 124.013 119.914 -0.220 0.000 2.427 138 V HA 0.357 4.934 4.120 0.761 0.000 0.286 138 V C -0.282 175.691 176.094 -0.200 0.000 1.034 138 V CA -0.817 61.394 62.300 -0.147 0.000 0.893 138 V CB 0.971 32.742 31.823 -0.086 0.000 0.982 138 V HN 0.818 nan 8.190 nan 0.000 0.452 139 H N 3.717 122.869 119.070 0.137 0.000 2.519 139 H HA 0.525 5.538 4.556 0.762 0.000 0.316 139 H C -0.537 174.867 175.328 0.127 0.000 1.065 139 H CA -0.314 55.790 56.048 0.092 0.000 1.264 139 H CB 1.719 31.530 29.762 0.081 0.000 1.413 139 H HN 0.378 nan 8.280 nan 0.000 0.465 140 V N 2.890 122.888 119.914 0.140 0.000 2.581 140 V HA 0.480 5.057 4.120 0.761 0.000 0.303 140 V C 0.301 176.403 176.094 0.013 0.000 1.041 140 V CA -0.712 61.639 62.300 0.084 0.000 0.907 140 V CB 1.779 33.549 31.823 -0.089 0.000 0.994 140 V HN 0.929 nan 8.190 nan 0.000 0.442 141 S N 1.266 116.981 115.700 0.024 0.000 2.651 141 S HA 0.752 5.678 4.470 0.761 0.000 0.279 141 S C 0.482 175.070 174.600 -0.019 0.000 1.148 141 S CA 0.009 58.200 58.200 -0.015 0.000 0.837 141 S CB 1.626 64.831 63.200 0.008 0.000 1.138 141 S HN 2.405 nan 8.310 nan 0.000 0.478 142 G N -0.151 108.629 108.800 -0.032 0.000 2.283 142 G HA2 -0.156 4.261 3.960 0.761 0.000 0.280 142 G HA3 -0.156 4.261 3.960 0.761 0.000 0.280 142 G C 0.199 175.082 174.900 -0.028 0.000 1.029 142 G CA 0.586 45.673 45.100 -0.021 0.000 0.840 142 G HN 1.924 nan 8.290 nan 0.000 0.505 143 V N -3.408 116.456 119.914 -0.084 0.000 3.193 143 V HA 0.967 5.544 4.120 0.761 0.000 0.320 143 V C 0.733 176.781 176.094 -0.077 0.000 1.112 143 V CA -0.735 61.517 62.300 -0.079 0.000 1.026 143 V CB 1.630 33.274 31.823 -0.299 0.000 1.128 143 V HN 1.654 nan 8.190 nan 0.000 0.452 144 A N 1.112 123.904 122.820 -0.047 0.000 2.366 144 A HA 0.770 5.547 4.320 0.761 0.000 0.272 144 A C 0.650 178.102 177.584 -0.219 0.000 1.135 144 A CA 0.066 51.960 52.037 -0.238 0.000 0.804 144 A CB -0.126 18.489 19.000 -0.642 0.000 1.064 144 A HN 2.123 nan 8.150 nan 0.000 0.499 145 A N 1.748 124.438 122.820 -0.217 0.000 2.498 145 A HA 0.396 5.173 4.320 0.761 0.000 0.239 145 A C 0.225 177.695 177.584 -0.190 0.000 1.068 145 A CA 0.775 52.582 52.037 -0.383 0.000 0.766 145 A CB -0.940 17.766 19.000 -0.489 0.000 1.003 145 A HN 1.649 nan 8.150 nan 0.000 0.497 146 W N -1.210 120.170 121.300 0.134 0.000 2.525 146 W HA -0.186 4.930 4.660 0.761 0.000 0.288 146 W C 0.372 177.063 176.519 0.288 0.000 1.125 146 W CA 0.731 58.179 57.345 0.172 0.000 0.538 146 W CB -2.372 27.170 29.460 0.136 0.000 2.165 146 W HN 0.901 nan 8.180 nan 0.000 1.258 147 H N 0.140 119.318 119.070 0.180 0.000 2.544 147 H HA 0.468 5.481 4.556 0.762 0.000 0.342 147 H C 0.263 175.543 175.328 -0.079 0.000 1.185 147 H CA -1.023 55.012 56.048 -0.022 0.000 1.264 147 H CB 1.191 30.822 29.762 -0.219 0.000 1.607 147 H HN -0.073 nan 8.280 nan 0.000 0.550 148 E N 1.151 121.290 120.200 -0.102 0.000 2.231 148 E HA 0.230 5.036 4.350 0.761 0.000 0.277 148 E C -1.297 175.098 176.600 -0.341 0.000 0.999 148 E CA -0.398 55.950 56.400 -0.087 0.000 0.827 148 E CB 1.272 30.943 29.700 -0.048 0.000 1.101 148 E HN 0.361 nan 8.360 nan 0.000 0.393 149 Y N 0.330 120.653 120.300 0.038 0.000 2.462 149 Y HA 0.356 5.363 4.550 0.761 0.000 0.346 149 Y C 0.306 176.201 175.900 -0.009 0.000 0.976 149 Y CA -0.707 57.402 58.100 0.014 0.000 1.044 149 Y CB 2.292 40.756 38.460 0.006 0.000 1.230 149 Y HN 0.467 nan 8.280 nan 0.000 0.455 150 T N -1.203 113.416 114.554 0.108 0.000 2.901 150 T HA 0.836 5.643 4.350 0.761 0.000 0.293 150 T C -1.412 173.286 174.700 -0.003 0.000 1.084 150 T CA -0.884 61.244 62.100 0.048 0.000 1.008 150 T CB 1.484 70.363 68.868 0.018 0.000 1.170 150 T HN 0.310 nan 8.240 nan 0.000 0.509 151 V N 1.741 121.645 119.914 -0.016 0.000 2.495 151 V HA 0.584 5.160 4.120 0.761 0.000 0.298 151 V C -0.110 175.988 176.094 0.006 0.000 1.031 151 V CA -0.836 61.420 62.300 -0.074 0.000 0.871 151 V CB 1.880 33.620 31.823 -0.139 0.000 0.988 151 V HN 1.080 nan 8.190 nan 0.000 0.432 152 S N 5.774 121.442 115.700 -0.053 0.000 2.422 152 S HA 0.756 5.683 4.470 0.761 0.000 0.308 152 S C -0.599 173.920 174.600 -0.136 0.000 1.097 152 S CA -0.451 57.696 58.200 -0.087 0.000 1.099 152 S CB 0.294 63.407 63.200 -0.145 0.000 0.976 152 S HN 0.636 nan 8.310 nan 0.000 0.471 153 F N 0.563 120.219 119.950 -0.490 0.000 2.588 153 F HA 0.704 5.690 4.527 0.764 0.000 0.314 153 F C -1.100 174.249 175.800 -0.752 0.000 1.069 153 F CA -1.634 55.600 58.000 -1.275 0.000 0.931 153 F CB 0.746 38.492 39.000 -2.089 0.000 1.260 153 F HN 0.229 nan 8.300 nan 0.000 0.465 154 L N 2.957 123.799 121.223 -0.635 0.000 2.410 154 L HA 0.597 5.394 4.340 0.761 0.000 0.273 154 L C 0.152 176.816 176.870 -0.344 0.000 1.152 154 L CA -0.515 53.993 54.840 -0.554 0.000 0.855 154 L CB 0.921 42.764 42.059 -0.361 0.000 1.129 154 L HN 0.929 nan 8.230 nan 0.000 0.463 155 A N 3.624 126.161 122.820 -0.472 0.000 2.355 155 A HA 0.628 5.405 4.320 0.761 0.000 0.317 155 A C -1.241 176.205 177.584 -0.230 0.000 1.094 155 A CA -0.516 51.366 52.037 -0.258 0.000 0.764 155 A CB 0.723 19.559 19.000 -0.273 0.000 1.230 155 A HN 0.490 nan 8.150 nan 0.000 0.448 156 Y N 1.339 121.626 120.300 -0.023 0.000 2.359 156 Y HA 0.312 5.319 4.550 0.761 0.000 0.330 156 Y C 0.545 176.440 175.900 -0.009 0.000 1.143 156 Y CA 0.090 58.184 58.100 -0.009 0.000 1.318 156 Y CB 0.568 39.039 38.460 0.018 0.000 1.234 156 Y HN 0.446 nan 8.280 nan 0.000 0.522 157 I N 5.883 126.559 120.570 0.176 0.000 2.291 157 I HA 0.121 4.747 4.170 0.761 0.000 0.292 157 I C 0.921 177.126 176.117 0.146 0.000 1.064 157 I CA 0.044 61.414 61.300 0.118 0.000 1.269 157 I CB 0.382 38.431 38.000 0.081 0.000 1.418 157 I HN 0.640 nan 8.210 nan 0.000 0.485 158 I N 2.798 123.451 120.570 0.138 0.000 3.904 158 I HA 0.301 4.928 4.170 0.761 0.000 0.333 158 I C -0.450 175.784 176.117 0.195 0.000 1.361 158 I CA 0.009 61.380 61.300 0.120 0.000 1.116 158 I CB 0.252 38.283 38.000 0.051 0.000 1.028 158 I HN 0.482 nan 8.210 nan 0.000 0.398 159 W N 2.723 124.009 121.300 -0.023 0.000 3.216 159 W HA 0.364 5.485 4.660 0.767 0.000 0.335 159 W C -1.124 175.359 176.519 -0.060 0.000 1.077 159 W CA -1.766 55.549 57.345 -0.050 0.000 1.252 159 W CB 1.119 30.496 29.460 -0.139 0.000 1.312 159 W HN 0.067 nan 8.180 nan 0.000 0.446 160 D N 7.078 127.639 120.400 0.269 0.000 2.488 160 D HA 0.039 5.136 4.640 0.761 0.000 0.238 160 D C -0.953 175.236 176.300 -0.186 0.000 1.138 160 D CA -0.196 53.825 54.000 0.035 0.000 0.873 160 D CB 1.819 42.658 40.800 0.065 0.000 1.183 160 D HN 0.100 nan 8.370 nan 0.000 0.458 161 P HA -0.118 nan 4.420 nan 0.000 0.222 161 P C 1.293 178.438 177.300 -0.259 0.000 1.153 161 P CA 0.454 63.374 63.100 -0.301 0.000 0.798 161 P CB 0.252 31.786 31.700 -0.276 0.000 0.796 162 V N 1.175 120.994 119.914 -0.158 0.000 2.255 162 V HA -0.169 4.408 4.120 0.761 0.000 0.243 162 V C 2.790 178.848 176.094 -0.059 0.000 1.038 162 V CA 1.772 64.028 62.300 -0.073 0.000 1.008 162 V CB -1.249 30.569 31.823 -0.009 0.000 0.645 162 V HN 0.101 nan 8.190 nan 0.000 0.449 163 E N -0.084 120.097 120.200 -0.032 0.000 2.097 163 E HA -0.292 4.514 4.350 0.761 0.000 0.196 163 E C 2.177 178.726 176.600 -0.085 0.000 1.000 163 E CA 2.122 58.578 56.400 0.093 0.000 0.804 163 E CB -0.199 29.645 29.700 0.240 0.000 0.740 163 E HN 0.591 nan 8.360 nan 0.000 0.454 164 M N -0.552 118.704 119.600 -0.572 0.000 2.086 164 M HA -0.236 4.700 4.480 0.761 0.000 0.261 164 M C 2.292 178.126 176.300 -0.775 0.000 1.067 164 M CA 1.666 56.158 55.300 -1.347 0.000 1.116 164 M CB -0.376 31.021 32.600 -2.004 0.000 1.348 164 M HN 0.133 nan 8.290 nan 0.000 0.407 165 Y N 1.052 120.992 120.300 -0.599 0.000 2.181 165 Y HA -0.241 4.772 4.550 0.771 0.000 0.288 165 Y C 1.646 177.324 175.900 -0.371 0.000 1.146 165 Y CA 2.522 60.381 58.100 -0.401 0.000 1.164 165 Y CB -0.450 37.878 38.460 -0.219 0.000 0.982 165 Y HN 0.436 nan 8.280 nan 0.000 0.515 166 N N -1.426 117.112 118.700 -0.270 0.000 2.188 166 N HA -0.190 5.006 4.740 0.761 0.000 0.184 166 N C 1.658 176.461 175.510 -1.179 0.000 1.018 166 N CA 1.125 53.853 53.050 -0.537 0.000 0.858 166 N CB -0.389 37.913 38.487 -0.307 0.000 0.989 166 N HN 0.478 nan 8.380 nan 0.000 0.426 167 H N 0.410 118.764 119.070 -1.193 0.000 2.352 167 H HA 0.007 5.019 4.556 0.760 0.000 0.299 167 H C 1.685 176.671 175.328 -0.569 0.000 1.097 167 H CA 1.296 56.790 56.048 -0.923 0.000 1.311 167 H CB 0.075 29.788 29.762 -0.081 0.000 1.377 167 H HN 0.132 nan 8.280 nan 0.000 0.504 168 L N -0.678 120.358 121.223 -0.311 0.000 2.418 168 L HA -0.013 4.784 4.340 0.761 0.000 0.218 168 L C 1.643 178.316 176.870 -0.328 0.000 1.125 168 L CA 1.108 55.802 54.840 -0.244 0.000 0.835 168 L CB 0.294 42.163 42.059 -0.316 0.000 0.953 168 L HN 0.356 nan 8.230 nan 0.000 0.454 169 T N -2.768 111.494 114.554 -0.488 0.000 3.014 169 T HA 0.101 4.908 4.350 0.761 0.000 0.250 169 T C 0.792 175.340 174.700 -0.254 0.000 1.060 169 T CA 0.134 61.990 62.100 -0.406 0.000 1.040 169 T CB 0.030 68.546 68.868 -0.587 0.000 0.971 169 T HN 0.162 nan 8.240 nan 0.000 0.497 170 N N 2.058 120.553 118.700 -0.341 0.000 2.351 170 N HA 0.197 5.394 4.740 0.761 0.000 0.254 170 N C -0.855 174.568 175.510 -0.145 0.000 1.241 170 N CA -0.375 52.581 53.050 -0.157 0.000 0.883 170 N CB -0.007 38.459 38.487 -0.035 0.000 1.202 170 N HN 0.458 nan 8.380 nan 0.000 0.512 171 D N -0.188 120.110 120.400 -0.171 0.000 8.176 171 D HA -0.229 4.868 4.640 0.761 0.000 0.129 171 D C -0.167 176.139 176.300 0.010 0.000 1.240 171 D CA 0.322 54.263 54.000 -0.097 0.000 0.870 171 D CB 0.056 40.858 40.800 0.003 0.000 1.709 171 D HN 0.257 nan 8.370 nan 0.000 0.979 172 W N 3.333 124.415 121.300 -0.364 0.000 3.197 172 W HA 0.321 5.439 4.660 0.762 0.000 0.274 172 W C 2.261 178.589 176.519 -0.318 0.000 1.297 172 W CA 0.031 57.134 57.345 -0.403 0.000 1.662 172 W CB -0.923 28.234 29.460 -0.506 0.000 1.106 172 W HN 0.756 nan 8.180 nan 0.000 0.663 173 G N 1.718 110.511 108.800 -0.012 0.000 3.505 173 G HA2 -0.547 3.869 3.960 0.761 0.000 0.335 173 G HA3 -0.547 3.869 3.960 0.761 0.000 0.335 173 G C 1.369 176.461 174.900 0.319 0.000 2.094 173 G CA 1.939 47.204 45.100 0.275 0.000 2.354 173 G HN 0.360 nan 8.290 nan 0.000 0.904 174 D N 1.348 121.865 120.400 0.195 0.000 2.084 174 D HA -0.086 5.011 4.640 0.761 0.000 0.194 174 D C 1.325 177.743 176.300 0.198 0.000 0.990 174 D CA 1.220 55.310 54.000 0.150 0.000 0.826 174 D CB -0.169 40.679 40.800 0.080 0.000 0.971 174 D HN 0.457 nan 8.370 nan 0.000 0.453 175 K N 1.522 122.079 120.400 0.262 0.000 2.561 175 K HA -0.095 4.682 4.320 0.761 0.000 0.280 175 K C 0.184 176.934 176.600 0.250 0.000 0.975 175 K CA 0.075 56.508 56.287 0.243 0.000 1.024 175 K CB 0.459 33.118 32.500 0.266 0.000 0.883 175 K HN 0.137 nan 8.250 nan 0.000 0.496 176 E N 2.500 122.757 120.200 0.094 0.000 2.414 176 E HA -0.058 4.749 4.350 0.761 0.000 0.263 176 E C -0.737 175.906 176.600 0.073 0.000 1.000 176 E CA 0.135 56.520 56.400 -0.026 0.000 0.914 176 E CB 0.362 30.040 29.700 -0.037 0.000 0.948 176 E HN 0.475 nan 8.360 nan 0.000 0.444 177 H N 3.136 122.059 119.070 -0.246 0.000 2.722 177 H HA 0.085 5.098 4.556 0.763 0.000 0.328 177 H C -0.251 174.986 175.328 -0.152 0.000 1.067 177 H CA -0.456 55.328 56.048 -0.440 0.000 1.447 177 H CB 0.628 29.569 29.762 -1.369 0.000 1.469 177 H HN 0.411 nan 8.280 nan 0.000 0.544 178 E N 3.550 123.883 120.200 0.221 0.000 2.217 178 E HA 0.091 4.898 4.350 0.761 0.000 0.279 178 E C -0.242 176.505 176.600 0.246 0.000 1.068 178 E CA -0.218 56.311 56.400 0.215 0.000 0.882 178 E CB 0.818 30.646 29.700 0.213 0.000 1.039 178 E HN 0.402 nan 8.360 nan 0.000 0.418 179 I N 6.838 127.524 120.570 0.193 0.000 2.337 179 I HA 0.162 4.788 4.170 0.761 0.000 0.291 179 I C -1.823 174.448 176.117 0.257 0.000 1.046 179 I CA -2.021 59.401 61.300 0.203 0.000 1.324 179 I CB 0.499 38.587 38.000 0.147 0.000 1.409 179 I HN 0.268 nan 8.210 nan 0.000 0.494 180 P HA 0.286 nan 4.420 nan 0.000 0.276 180 P C -1.144 176.243 177.300 0.145 0.000 1.252 180 P CA -0.118 62.981 63.100 -0.000 0.000 0.802 180 P CB 0.718 32.408 31.700 -0.017 0.000 1.035 181 F N -2.051 118.019 119.950 0.200 0.000 2.576 181 F HA 0.554 5.540 4.527 0.765 0.000 0.313 181 F C -0.461 175.466 175.800 0.210 0.000 1.078 181 F CA -1.302 56.840 58.000 0.236 0.000 0.921 181 F CB 1.058 40.255 39.000 0.328 0.000 1.232 181 F HN 0.042 nan 8.300 nan 0.000 0.459 182 D N 2.784 123.449 120.400 0.442 0.000 2.412 182 D HA 0.246 5.343 4.640 0.761 0.000 0.224 182 D C 0.871 177.392 176.300 0.369 0.000 1.093 182 D CA -0.513 53.694 54.000 0.346 0.000 0.850 182 D CB 1.133 42.218 40.800 0.475 0.000 1.046 182 D HN 0.696 nan 8.370 nan 0.000 0.507 183 I N 1.613 122.299 120.570 0.194 0.000 3.334 183 I HA -0.048 4.579 4.170 0.761 0.000 0.282 183 I C 1.408 177.687 176.117 0.269 0.000 1.313 183 I CA 0.213 61.601 61.300 0.146 0.000 1.396 183 I CB -0.414 37.455 38.000 -0.218 0.000 1.054 183 I HN 0.262 nan 8.210 nan 0.000 0.495 184 Y N 2.142 122.504 120.300 0.105 0.000 2.274 184 Y HA -0.126 4.881 4.550 0.761 0.000 0.290 184 Y C 1.438 177.192 175.900 -0.243 0.000 1.145 184 Y CA 1.055 59.004 58.100 -0.250 0.000 1.203 184 Y CB -0.188 37.964 38.460 -0.514 0.000 0.984 184 Y HN 0.297 nan 8.280 nan 0.000 0.533 185 H N 1.868 121.059 119.070 0.201 0.000 2.767 185 H HA 0.062 5.075 4.556 0.761 0.000 0.316 185 H C -1.496 173.892 175.328 0.098 0.000 1.059 185 H CA -1.724 54.408 56.048 0.141 0.000 1.461 185 H CB 0.610 30.492 29.762 0.200 0.000 1.475 185 H HN 0.186 nan 8.280 nan 0.000 0.531 186 P HA -0.215 nan 4.420 nan 0.000 0.216 186 P C 1.282 178.659 177.300 0.129 0.000 1.153 186 P CA 1.705 64.864 63.100 0.099 0.000 0.858 186 P CB 0.198 31.940 31.700 0.070 0.000 0.789 187 A N -0.324 122.598 122.820 0.171 0.000 1.855 187 A HA -0.129 4.648 4.320 0.761 0.000 0.215 187 A C 2.413 180.110 177.584 0.188 0.000 1.191 187 A CA 2.450 54.603 52.037 0.194 0.000 0.613 187 A CB -1.877 17.230 19.000 0.179 0.000 0.829 187 A HN 0.170 nan 8.150 nan 0.000 0.442 188 T N -0.598 114.152 114.554 0.326 0.000 2.684 188 T HA -0.194 4.612 4.350 0.761 0.000 0.267 188 T C 2.066 176.793 174.700 0.045 0.000 1.036 188 T CA 1.753 63.990 62.100 0.228 0.000 1.148 188 T CB -0.267 68.889 68.868 0.481 0.000 0.863 188 T HN 0.555 nan 8.240 nan 0.000 0.436 189 R N 1.047 121.615 120.500 0.112 0.000 2.083 189 R HA -0.111 4.686 4.340 0.761 0.000 0.237 189 R C 2.471 178.833 176.300 0.103 0.000 1.137 189 R CA 1.768 57.917 56.100 0.083 0.000 0.951 189 R CB -0.158 30.227 30.300 0.142 0.000 0.851 189 R HN 0.297 nan 8.270 nan 0.000 0.434 190 K N -0.524 119.916 120.400 0.066 0.000 2.057 190 K HA -0.200 4.577 4.320 0.761 0.000 0.207 190 K C 1.962 178.512 176.600 -0.083 0.000 1.049 190 K CA 1.633 57.947 56.287 0.045 0.000 0.931 190 K CB -0.314 32.201 32.500 0.026 0.000 0.714 190 K HN 0.166 nan 8.250 nan 0.000 0.440 191 F N 1.457 121.121 119.950 -0.478 0.000 2.091 191 F HA -0.263 4.720 4.527 0.760 0.000 0.299 191 F C 1.854 177.392 175.800 -0.437 0.000 1.103 191 F CA 1.540 59.103 58.000 -0.728 0.000 1.228 191 F CB -0.528 37.415 39.000 -1.762 0.000 0.984 191 F HN -0.187 nan 8.300 nan 0.000 0.477 192 V N 0.037 119.708 119.914 -0.405 0.000 2.255 192 V HA -0.336 4.241 4.120 0.761 0.000 0.247 192 V C 2.320 178.223 176.094 -0.319 0.000 1.051 192 V CA 2.330 64.424 62.300 -0.344 0.000 1.018 192 V CB -0.931 30.761 31.823 -0.218 0.000 0.641 192 V HN 0.309 nan 8.190 nan 0.000 0.445 193 F N 0.332 120.229 119.950 -0.088 0.000 2.186 193 F HA -0.108 4.876 4.527 0.761 0.000 0.299 193 F C 2.258 178.037 175.800 -0.036 0.000 1.090 193 F CA 1.476 59.474 58.000 -0.005 0.000 1.307 193 F CB -0.671 38.316 39.000 -0.021 0.000 1.019 193 F HN 0.203 nan 8.300 nan 0.000 0.489 194 D N -0.459 119.946 120.400 0.008 0.000 2.117 194 D HA -0.127 4.970 4.640 0.761 0.000 0.197 194 D C 2.293 178.520 176.300 -0.122 0.000 0.987 194 D CA 1.850 55.809 54.000 -0.068 0.000 0.829 194 D CB -0.765 39.964 40.800 -0.120 0.000 0.961 194 D HN 0.176 nan 8.370 nan 0.000 0.460 195 T N 0.515 114.878 114.554 -0.318 0.000 2.746 195 T HA -0.147 4.659 4.350 0.761 0.000 0.267 195 T C 1.699 176.471 174.700 0.120 0.000 1.039 195 T CA 0.601 62.545 62.100 -0.259 0.000 1.142 195 T CB -0.408 68.046 68.868 -0.692 0.000 0.866 195 T HN 0.073 nan 8.240 nan 0.000 0.444 196 F N 2.072 122.006 119.950 -0.026 0.000 2.146 196 F HA -0.001 4.985 4.527 0.764 0.000 0.298 196 F C 2.399 178.253 175.800 0.091 0.000 1.096 196 F CA 1.192 59.180 58.000 -0.019 0.000 1.275 196 F CB -0.483 38.431 39.000 -0.143 0.000 1.008 196 F HN 0.192 nan 8.300 nan 0.000 0.480 197 E N -0.295 119.895 120.200 -0.018 0.000 2.058 197 E HA -0.353 4.454 4.350 0.761 0.000 0.194 197 E C 2.222 178.769 176.600 -0.088 0.000 0.997 197 E CA 1.615 57.950 56.400 -0.108 0.000 0.801 197 E CB -0.297 29.394 29.700 -0.015 0.000 0.746 197 E HN 0.428 nan 8.360 nan 0.000 0.450 198 Q N 0.058 119.855 119.800 -0.005 0.000 2.084 198 Q HA -0.183 4.614 4.340 0.761 0.000 0.202 198 Q C 1.650 177.684 176.000 0.057 0.000 0.978 198 Q CA 2.112 57.928 55.803 0.022 0.000 0.844 198 Q CB -0.772 27.996 28.738 0.051 0.000 0.898 198 Q HN 0.523 nan 8.270 nan 0.000 0.426 199 W N 0.121 121.393 121.300 -0.048 0.000 2.338 199 W HA -0.160 4.958 4.660 0.764 0.000 0.304 199 W C 1.506 177.953 176.519 -0.121 0.000 1.212 199 W CA 1.637 58.989 57.345 0.012 0.000 1.264 199 W CB -0.255 29.338 29.460 0.221 0.000 1.142 199 W HN 0.214 nan 8.180 nan 0.000 0.512 200 L N 0.671 121.814 121.223 -0.133 0.000 2.042 200 L HA -0.289 4.508 4.340 0.761 0.000 0.210 200 L C 2.577 179.277 176.870 -0.284 0.000 1.076 200 L CA 1.834 56.487 54.840 -0.311 0.000 0.749 200 L CB -0.911 40.922 42.059 -0.377 0.000 0.893 200 L HN -0.048 nan 8.230 nan 0.000 0.432 201 K N -0.203 120.078 120.400 -0.198 0.000 2.063 201 K HA -0.169 4.607 4.320 0.761 0.000 0.208 201 K C 1.303 177.790 176.600 -0.188 0.000 1.048 201 K CA 1.433 57.626 56.287 -0.155 0.000 0.928 201 K CB -0.221 32.220 32.500 -0.098 0.000 0.713 201 K HN 0.306 nan 8.250 nan 0.000 0.442 202 D N 0.224 120.491 120.400 -0.222 0.000 2.352 202 D HA 0.002 5.098 4.640 0.761 0.000 0.232 202 D C -0.089 175.985 176.300 -0.377 0.000 1.055 202 D CA 0.587 54.442 54.000 -0.242 0.000 0.891 202 D CB 0.416 41.118 40.800 -0.163 0.000 0.897 202 D HN -0.092 nan 8.370 nan 0.000 0.529 203 S N 1.062 116.469 115.700 -0.487 0.000 2.139 203 S HA 0.163 5.090 4.470 0.761 0.000 0.183 203 S C -1.804 172.595 174.600 -0.335 0.000 1.473 203 S CA -0.866 57.002 58.200 -0.554 0.000 1.263 203 S CB 1.605 64.116 63.200 -1.149 0.000 1.170 203 S HN 0.092 nan 8.310 nan 0.000 0.430 204 P HA -0.123 nan 4.420 nan 0.000 0.222 204 P C 1.456 178.701 177.300 -0.091 0.000 1.153 204 P CA 0.868 63.886 63.100 -0.136 0.000 0.798 204 P CB 0.164 31.801 31.700 -0.105 0.000 0.796 205 Q N -0.123 119.628 119.800 -0.083 0.000 2.432 205 Q HA 0.029 4.826 4.340 0.761 0.000 0.205 205 Q C 0.091 176.088 176.000 -0.004 0.000 0.945 205 Q CA 0.879 56.665 55.803 -0.028 0.000 0.924 205 Q CB -1.602 27.135 28.738 -0.002 0.000 1.016 205 Q HN 0.036 nan 8.270 nan 0.000 0.503 206 T N 2.951 117.482 114.554 -0.039 0.000 2.794 206 T HA 0.128 4.935 4.350 0.761 0.000 0.296 206 T C 0.066 174.790 174.700 0.040 0.000 0.949 206 T CA -0.225 61.884 62.100 0.015 0.000 1.101 206 T CB 0.904 69.755 68.868 -0.028 0.000 0.905 206 T HN 0.191 nan 8.240 nan 0.000 0.516 207 D N 1.806 122.261 120.400 0.091 0.000 2.380 207 D HA 0.102 5.198 4.640 0.761 0.000 0.212 207 D C 0.275 176.631 176.300 0.092 0.000 1.021 207 D CA 0.599 54.655 54.000 0.093 0.000 0.884 207 D CB 0.725 41.594 40.800 0.116 0.000 1.001 207 D HN 0.277 nan 8.370 nan 0.000 0.506 208 V N 2.155 122.114 119.914 0.077 0.000 2.483 208 V HA 0.227 4.804 4.120 0.761 0.000 0.297 208 V C -0.020 176.037 176.094 -0.060 0.000 1.027 208 V CA -0.865 61.407 62.300 -0.048 0.000 0.855 208 V CB 2.453 34.071 31.823 -0.341 0.000 0.995 208 V HN -0.228 nan 8.190 nan 0.000 0.424 209 V N 5.072 124.935 119.914 -0.084 0.000 2.408 209 V HA 0.376 4.953 4.120 0.761 0.000 0.267 209 V C 0.615 176.412 176.094 -0.495 0.000 1.047 209 V CA -0.405 61.736 62.300 -0.266 0.000 0.937 209 V CB 0.864 32.447 31.823 -0.400 0.000 0.999 209 V HN 0.836 nan 8.190 nan 0.000 0.472 210 R N 4.947 125.180 120.500 -0.444 0.000 2.391 210 R HA 0.336 5.133 4.340 0.761 0.000 0.310 210 R C -0.994 175.019 176.300 -0.479 0.000 1.174 210 R CA -0.539 55.342 56.100 -0.366 0.000 1.118 210 R CB 0.057 30.230 30.300 -0.210 0.000 1.134 210 R HN 0.536 nan 8.270 nan 0.000 0.524 211 F N 2.134 121.875 119.950 -0.348 0.000 2.502 211 F HA 0.097 5.079 4.527 0.759 0.000 0.371 211 F C 0.760 176.222 175.800 -0.562 0.000 1.083 211 F CA 0.473 58.137 58.000 -0.561 0.000 1.174 211 F CB 1.398 39.892 39.000 -0.843 0.000 1.096 211 F HN 0.259 nan 8.300 nan 0.000 0.545 212 T N 2.186 116.518 114.554 -0.370 0.000 3.504 212 T HA 0.262 5.069 4.350 0.761 0.000 0.286 212 T C 0.472 175.116 174.700 -0.093 0.000 1.530 212 T CA -0.366 61.601 62.100 -0.222 0.000 1.652 212 T CB 0.510 69.150 68.868 -0.379 0.000 0.895 212 T HN 0.611 nan 8.240 nan 0.000 0.674 213 T N 0.048 114.532 114.554 -0.117 0.000 2.995 213 T HA 0.511 5.318 4.350 0.761 0.000 0.170 213 T C 0.035 174.314 174.700 -0.702 0.000 0.844 213 T CA 0.085 61.970 62.100 -0.357 0.000 1.137 213 T CB 0.186 68.980 68.868 -0.125 0.000 2.193 213 T HN 0.213 nan 8.240 nan 0.000 0.384 214 F N -0.709 119.065 119.950 -0.294 0.000 2.041 214 F HA 0.528 5.509 4.527 0.756 0.000 0.209 214 F C 0.890 176.247 175.800 -0.739 0.000 1.271 214 F CA -0.742 56.769 58.000 -0.814 0.000 1.276 214 F CB -0.144 38.211 39.000 -1.074 0.000 1.887 214 F HN 0.130 nan 8.300 nan 0.000 0.164 215 F N -1.970 118.007 119.950 0.045 0.000 2.712 215 F HA 0.308 5.293 4.527 0.763 0.000 0.297 215 F C -0.745 174.696 175.800 -0.599 0.000 1.114 215 F CA -0.719 57.094 58.000 -0.313 0.000 1.305 215 F CB -0.232 38.514 39.000 -0.425 0.000 1.086 215 F HN -0.113 nan 8.300 nan 0.000 0.599 216 Y N 1.420 121.836 120.300 0.193 0.000 2.373 216 Y HA 0.363 5.368 4.550 0.758 0.000 0.336 216 Y C 0.095 176.008 175.900 0.022 0.000 0.979 216 Y CA -2.065 56.101 58.100 0.111 0.000 1.080 216 Y CB 1.010 39.546 38.460 0.127 0.000 1.190 216 Y HN -0.014 nan 8.280 nan 0.000 0.446 217 Q N 2.858 122.722 119.800 0.106 0.000 2.432 217 Q HA 0.245 5.042 4.340 0.761 0.000 0.264 217 Q C -0.436 175.543 176.000 -0.035 0.000 1.035 217 Q CA -0.533 55.236 55.803 -0.057 0.000 0.908 217 Q CB 0.569 29.202 28.738 -0.175 0.000 1.280 217 Q HN 0.572 nan 8.270 nan 0.000 0.455 218 F N -0.789 119.146 119.950 -0.024 0.000 2.490 218 F HA 0.274 5.290 4.527 0.815 0.000 0.336 218 F C 0.045 175.847 175.800 0.003 0.000 1.178 218 F CA -1.003 56.951 58.000 -0.077 0.000 1.301 218 F CB -0.049 38.864 39.000 -0.143 0.000 1.175 218 F HN 0.441 nan 8.300 nan 0.000 0.593 219 T N 4.078 118.796 114.554 0.274 0.000 2.778 219 T HA 0.317 5.124 4.350 0.761 0.000 0.282 219 T C -0.601 174.210 174.700 0.186 0.000 0.983 219 T CA 0.367 62.565 62.100 0.164 0.000 1.193 219 T CB -0.333 68.633 68.868 0.164 0.000 0.938 219 T HN 0.611 nan 8.240 nan 0.000 0.523 220 L N 5.547 126.792 121.223 0.035 0.000 2.639 220 L HA 0.541 5.337 4.340 0.761 0.000 0.264 220 L C -1.696 175.227 176.870 0.087 0.000 0.948 220 L CA -0.330 54.552 54.840 0.070 0.000 0.912 220 L CB 1.204 43.266 42.059 0.005 0.000 1.294 220 L HN 0.573 nan 8.230 nan 0.000 0.412 221 L N 4.432 125.719 121.223 0.106 0.000 2.401 221 L HA 0.610 5.407 4.340 0.761 0.000 0.266 221 L C -1.186 175.833 176.870 0.248 0.000 0.991 221 L CA -0.524 54.419 54.840 0.172 0.000 0.818 221 L CB 2.133 44.207 42.059 0.025 0.000 1.321 221 L HN 0.365 nan 8.230 nan 0.000 0.413 222 F N 0.488 120.524 119.950 0.144 0.000 2.492 222 F HA 0.378 5.361 4.527 0.760 0.000 0.327 222 F C 0.399 176.325 175.800 0.210 0.000 1.079 222 F CA -0.850 57.228 58.000 0.130 0.000 0.967 222 F CB 1.525 40.594 39.000 0.115 0.000 1.169 222 F HN 0.521 nan 8.300 nan 0.000 0.472 223 D N 0.372 120.873 120.400 0.169 0.000 2.478 223 D HA 0.087 5.183 4.640 0.761 0.000 0.269 223 D C 0.896 177.288 176.300 0.153 0.000 1.232 223 D CA -0.368 53.692 54.000 0.101 0.000 1.059 223 D CB 0.218 40.988 40.800 -0.051 0.000 1.104 223 D HN 0.559 nan 8.370 nan 0.000 0.566 224 E N -0.024 120.243 120.200 0.112 0.000 2.409 224 E HA -0.197 4.610 4.350 0.761 0.000 0.198 224 E C 0.476 177.125 176.600 0.082 0.000 1.024 224 E CA 0.876 57.377 56.400 0.168 0.000 0.861 224 E CB -0.291 29.485 29.700 0.126 0.000 0.788 224 E HN 0.533 nan 8.360 nan 0.000 0.521 225 K N 0.773 121.167 120.400 -0.010 0.000 2.410 225 K HA 0.205 4.982 4.320 0.761 0.000 0.200 225 K C -0.169 176.342 176.600 -0.149 0.000 1.023 225 K CA -0.121 56.135 56.287 -0.052 0.000 1.149 225 K CB 0.247 32.722 32.500 -0.042 0.000 0.859 225 K HN 0.031 nan 8.250 nan 0.000 0.514 226 R N 0.399 120.708 120.500 -0.317 0.000 3.770 226 R HA -0.208 4.589 4.340 0.761 0.000 0.305 226 R C -0.666 175.580 176.300 -0.091 0.000 1.184 226 R CA 0.778 56.538 56.100 -0.568 0.000 0.823 226 R CB -2.068 27.847 30.300 -0.643 0.000 1.285 226 R HN 0.225 nan 8.270 nan 0.000 0.499 227 R N 1.186 121.630 120.500 -0.095 0.000 2.643 227 R HA 0.283 5.080 4.340 0.761 0.000 0.272 227 R C 0.113 176.054 176.300 -0.598 0.000 0.995 227 R CA -1.018 54.966 56.100 -0.195 0.000 1.032 227 R CB 0.776 30.978 30.300 -0.163 0.000 1.126 227 R HN 0.139 nan 8.270 nan 0.000 0.505 228 E N 1.865 121.473 120.200 -0.986 0.000 2.480 228 E HA -0.136 4.671 4.350 0.761 0.000 0.258 228 E C 0.121 176.424 176.600 -0.495 0.000 0.984 228 E CA 0.400 56.115 56.400 -1.143 0.000 0.930 228 E CB 0.706 29.983 29.700 -0.705 0.000 0.936 228 E HN 0.456 nan 8.360 nan 0.000 0.466 229 K N 2.914 123.103 120.400 -0.351 0.000 2.262 229 K HA 0.134 4.910 4.320 0.761 0.000 0.200 229 K C -0.499 176.032 176.600 -0.115 0.000 1.058 229 K CA 0.352 56.544 56.287 -0.158 0.000 0.974 229 K CB 0.807 33.276 32.500 -0.051 0.000 0.910 229 K HN 0.362 nan 8.250 nan 0.000 0.484 230 V N 1.191 121.032 119.914 -0.122 0.000 2.777 230 V HA 0.408 4.984 4.120 0.761 0.000 0.306 230 V C -1.463 174.607 176.094 -0.040 0.000 1.112 230 V CA -0.990 61.251 62.300 -0.099 0.000 0.917 230 V CB 1.756 33.422 31.823 -0.261 0.000 1.018 230 V HN -0.077 nan 8.190 nan 0.000 0.426 231 V N 3.028 122.960 119.914 0.031 0.000 2.808 231 V HA 0.798 5.375 4.120 0.761 0.000 0.308 231 V C -2.006 174.191 176.094 0.171 0.000 1.099 231 V CA -0.130 62.249 62.300 0.131 0.000 0.920 231 V CB 2.242 34.143 31.823 0.130 0.000 1.014 231 V HN 1.021 nan 8.190 nan 0.000 0.425 232 D N 4.444 124.990 120.400 0.243 0.000 2.478 232 D HA 0.164 5.261 4.640 0.761 0.000 0.240 232 D C 0.029 176.429 176.300 0.167 0.000 1.364 232 D CA -0.393 53.749 54.000 0.238 0.000 0.987 232 D CB 1.119 42.083 40.800 0.272 0.000 1.328 232 D HN 0.600 nan 8.370 nan 0.000 0.584 233 W N 3.721 124.789 121.300 -0.386 0.000 2.468 233 W HA -0.033 5.012 4.660 0.642 0.000 0.262 233 W C 0.578 176.757 176.519 -0.566 0.000 1.241 233 W CA 0.880 57.675 57.345 -0.918 0.000 1.232 233 W CB -0.090 28.680 29.460 -1.150 0.000 1.124 233 W HN 0.383 nan 8.180 nan 0.000 0.597 234 F N -0.770 119.270 119.950 0.150 0.000 2.678 234 F HA 0.417 5.031 4.527 0.145 0.000 0.305 234 F C 1.582 177.309 175.800 -0.122 0.000 1.090 234 F CA 0.013 57.993 58.000 -0.034 0.000 1.272 234 F CB -0.840 38.159 39.000 -0.002 0.000 1.060 234 F HN -0.260 nan 8.300 nan 0.000 0.576 235 G N -0.104 108.772 108.800 0.126 0.000 2.448 235 G HA2 0.358 4.775 3.960 0.761 0.000 0.285 235 G HA3 0.358 4.775 3.960 0.761 0.000 0.285 235 G C 0.123 175.078 174.900 0.091 0.000 1.176 235 G CA -0.308 44.879 45.100 0.144 0.000 0.852 235 G HN 0.448 nan 8.290 nan 0.000 0.530 236 C N 0.669 120.043 119.300 0.123 0.000 2.638 236 C HA 0.671 5.588 4.460 0.761 0.000 0.282 236 C C 2.048 177.133 174.990 0.159 0.000 1.473 236 C CA -0.197 58.903 59.018 0.137 0.000 1.781 236 C CB -0.541 27.320 27.740 0.200 0.000 2.780 236 C HN 0.832 nan 8.230 nan 0.000 0.531 237 A N 0.173 123.079 122.820 0.143 0.000 1.917 237 A HA -0.152 4.625 4.320 0.761 0.000 0.219 237 A C 1.456 179.040 177.584 -0.000 0.000 1.182 237 A CA 2.055 54.162 52.037 0.116 0.000 0.633 237 A CB -0.951 18.131 19.000 0.137 0.000 0.819 237 A HN 0.799 nan 8.150 nan 0.000 0.448 238 C N 0.719 120.030 119.300 0.019 0.000 2.687 238 C HA 0.429 5.346 4.460 0.761 0.000 0.465 238 C C 1.577 176.602 174.990 0.057 0.000 1.304 238 C CA 0.436 59.458 59.018 0.006 0.000 1.620 238 C CB -1.871 25.883 27.740 0.024 0.000 2.212 238 C HN 0.689 nan 8.230 nan 0.000 0.616 239 T N -3.739 110.789 114.554 -0.044 0.000 3.328 239 T HA 0.230 5.036 4.350 0.761 0.000 0.305 239 T C 0.074 174.733 174.700 -0.069 0.000 0.939 239 T CA 0.036 62.037 62.100 -0.165 0.000 0.950 239 T CB -0.533 68.216 68.868 -0.199 0.000 1.182 239 T HN 0.307 nan 8.240 nan 0.000 0.545 240 V N 0.380 120.187 119.914 -0.178 0.000 3.109 240 V HA 1.009 5.585 4.120 0.761 0.000 0.317 240 V C -0.233 175.765 176.094 -0.160 0.000 1.074 240 V CA -0.298 61.841 62.300 -0.268 0.000 1.033 240 V CB 1.365 32.740 31.823 -0.748 0.000 1.111 240 V HN 0.838 nan 8.190 nan 0.000 0.458 241 S N 0.189 115.802 115.700 -0.144 0.000 2.587 241 S HA 0.579 5.505 4.470 0.761 0.000 0.269 241 S C -2.613 171.932 174.600 -0.092 0.000 1.154 241 S CA -0.673 57.482 58.200 -0.075 0.000 0.824 241 S CB 1.246 64.516 63.200 0.115 0.000 1.118 241 S HN 0.462 nan 8.310 nan 0.000 0.462 242 P HA -0.066 nan 4.420 nan 0.000 0.215 242 P C 1.637 179.007 177.300 0.117 0.000 1.153 242 P CA 1.026 63.976 63.100 -0.249 0.000 0.853 242 P CB 0.030 31.363 31.700 -0.610 0.000 0.788 243 R N -0.019 120.587 120.500 0.177 0.000 2.070 243 R HA -0.127 4.670 4.340 0.761 0.000 0.232 243 R C 2.130 178.588 176.300 0.263 0.000 1.138 243 R CA 1.877 58.143 56.100 0.277 0.000 0.936 243 R CB -1.024 29.505 30.300 0.382 0.000 0.839 243 R HN 0.051 nan 8.270 nan 0.000 0.429 244 A N 1.284 124.118 122.820 0.023 0.000 1.892 244 A HA -0.182 4.595 4.320 0.761 0.000 0.218 244 A C 2.288 180.028 177.584 0.259 0.000 1.188 244 A CA 1.537 53.479 52.037 -0.159 0.000 0.631 244 A CB -0.684 17.983 19.000 -0.556 0.000 0.822 244 A HN 0.373 nan 8.150 nan 0.000 0.447 245 L N -0.492 120.882 121.223 0.252 0.000 2.012 245 L HA -0.224 4.572 4.340 0.761 0.000 0.210 245 L C 2.229 179.262 176.870 0.273 0.000 1.073 245 L CA 1.693 56.701 54.840 0.280 0.000 0.748 245 L CB -0.680 41.527 42.059 0.248 0.000 0.891 245 L HN 0.329 nan 8.230 nan 0.000 0.431 246 D N -0.258 120.310 120.400 0.280 0.000 2.117 246 D HA -0.174 4.922 4.640 0.761 0.000 0.197 246 D C 1.803 178.217 176.300 0.191 0.000 0.987 246 D CA 1.170 55.310 54.000 0.235 0.000 0.829 246 D CB -0.301 40.650 40.800 0.252 0.000 0.961 246 D HN 0.295 nan 8.370 nan 0.000 0.460 247 D N -0.103 120.430 120.400 0.222 0.000 2.117 247 D HA -0.133 4.964 4.640 0.761 0.000 0.197 247 D C 1.811 178.142 176.300 0.052 0.000 0.987 247 D CA 0.328 54.452 54.000 0.206 0.000 0.829 247 D CB -0.512 40.526 40.800 0.398 0.000 0.961 247 D HN 0.199 nan 8.370 nan 0.000 0.460 248 F N 1.752 121.540 119.950 -0.270 0.000 2.069 248 F HA -0.219 4.764 4.527 0.760 0.000 0.298 248 F C 2.354 178.041 175.800 -0.190 0.000 1.113 248 F CA 1.908 59.584 58.000 -0.540 0.000 1.214 248 F CB -0.044 38.605 39.000 -0.586 0.000 0.978 248 F HN -0.093 nan 8.300 nan 0.000 0.474 249 E N 0.307 120.619 120.200 0.186 0.000 2.086 249 E HA -0.314 4.493 4.350 0.761 0.000 0.200 249 E C 2.228 178.822 176.600 -0.010 0.000 1.012 249 E CA 1.380 57.839 56.400 0.098 0.000 0.812 249 E CB -0.428 29.343 29.700 0.119 0.000 0.743 249 E HN 0.506 nan 8.360 nan 0.000 0.453 250 A N 0.923 123.742 122.820 -0.001 0.000 1.902 250 A HA -0.204 4.573 4.320 0.761 0.000 0.217 250 A C 2.038 179.571 177.584 -0.086 0.000 1.181 250 A CA 1.829 53.856 52.037 -0.016 0.000 0.623 250 A CB -0.334 18.678 19.000 0.021 0.000 0.818 250 A HN 0.193 nan 8.150 nan 0.000 0.443 251 K N -2.082 118.222 120.400 -0.160 0.000 2.116 251 K HA -0.035 4.742 4.320 0.761 0.000 0.203 251 K C 1.338 177.641 176.600 -0.495 0.000 1.052 251 K CA 1.439 57.546 56.287 -0.300 0.000 0.952 251 K CB -0.162 32.137 32.500 -0.334 0.000 0.729 251 K HN 0.647 nan 8.250 nan 0.000 0.446 252 Y N -0.666 119.344 120.300 -0.483 0.000 2.458 252 Y HA 0.174 5.181 4.550 0.762 0.000 0.254 252 Y C 1.318 177.147 175.900 -0.119 0.000 1.120 252 Y CA 0.248 58.094 58.100 -0.425 0.000 1.282 252 Y CB 1.246 39.138 38.460 -0.947 0.000 1.109 252 Y HN 0.215 nan 8.280 nan 0.000 0.526 253 G N 0.278 109.083 108.800 0.008 0.000 2.148 253 G HA2 -0.325 4.092 3.960 0.761 0.000 0.254 253 G HA3 -0.325 4.092 3.960 0.761 0.000 0.254 253 G C -0.278 174.772 174.900 0.251 0.000 0.981 253 G CA 0.509 45.673 45.100 0.106 0.000 0.670 253 G HN 0.544 nan 8.290 nan 0.000 0.528 254 Y N -2.561 117.822 120.300 0.138 0.000 2.597 254 Y HA 0.801 5.807 4.550 0.760 0.000 0.340 254 Y C -0.306 175.738 175.900 0.239 0.000 1.097 254 Y CA -1.910 56.285 58.100 0.160 0.000 1.037 254 Y CB 0.975 39.521 38.460 0.143 0.000 1.305 254 Y HN 0.169 nan 8.280 nan 0.000 0.463 255 R N 3.170 123.805 120.500 0.226 0.000 2.234 255 R HA 0.483 5.280 4.340 0.761 0.000 0.324 255 R C -0.995 175.395 176.300 0.150 0.000 1.054 255 R CA -0.484 55.700 56.100 0.141 0.000 0.912 255 R CB 0.429 30.800 30.300 0.117 0.000 1.030 255 R HN 0.875 nan 8.270 nan 0.000 0.455 256 L N 4.549 125.768 121.223 -0.008 0.000 2.485 256 L HA 0.116 4.913 4.340 0.761 0.000 0.275 256 L C 0.857 177.724 176.870 -0.004 0.000 1.207 256 L CA 0.442 55.245 54.840 -0.062 0.000 0.855 256 L CB 0.345 42.245 42.059 -0.264 0.000 1.114 256 L HN 0.552 nan 8.230 nan 0.000 0.485 257 R N 3.039 123.510 120.500 -0.049 0.000 2.500 257 R HA 0.213 5.009 4.340 0.761 0.000 0.277 257 R C -1.542 174.641 176.300 -0.194 0.000 1.026 257 R CA -1.635 54.419 56.100 -0.078 0.000 1.058 257 R CB 0.700 30.954 30.300 -0.077 0.000 1.078 257 R HN 0.330 nan 8.270 nan 0.000 0.509 258 P HA -0.204 nan 4.420 nan 0.000 0.217 258 P C 0.690 177.711 177.300 -0.465 0.000 1.148 258 P CA 1.152 63.733 63.100 -0.865 0.000 0.828 258 P CB 0.298 31.529 31.700 -0.782 0.000 0.783 259 E N -0.006 120.024 120.200 -0.283 0.000 2.209 259 E HA -0.191 4.616 4.350 0.761 0.000 0.196 259 E C 1.357 177.808 176.600 -0.249 0.000 0.993 259 E CA 1.194 57.460 56.400 -0.224 0.000 0.819 259 E CB -0.961 28.646 29.700 -0.155 0.000 0.745 259 E HN 0.207 nan 8.360 nan 0.000 0.477 260 D N -1.273 118.939 120.400 -0.314 0.000 2.350 260 D HA -0.104 4.992 4.640 0.761 0.000 0.216 260 D C 0.849 176.713 176.300 -0.728 0.000 0.968 260 D CA 0.679 54.390 54.000 -0.482 0.000 0.894 260 D CB 0.051 40.525 40.800 -0.544 0.000 0.909 260 D HN 0.305 nan 8.370 nan 0.000 0.520 261 F N -0.324 119.435 119.950 -0.318 0.000 2.532 261 F HA -0.030 4.952 4.527 0.758 0.000 0.278 261 F C 2.363 178.025 175.800 -0.230 0.000 0.975 261 F CA -0.009 57.838 58.000 -0.254 0.000 1.292 261 F CB -0.685 38.176 39.000 -0.233 0.000 1.112 261 F HN -0.197 nan 8.300 nan 0.000 0.703 262 V N -1.739 118.083 119.914 -0.155 0.000 2.626 262 V HA -0.109 4.467 4.120 0.761 0.000 0.252 262 V C 0.599 176.428 176.094 -0.442 0.000 1.067 262 V CA 1.323 63.346 62.300 -0.462 0.000 1.081 262 V CB -0.884 30.665 31.823 -0.458 0.000 0.686 262 V HN 0.507 nan 8.190 nan 0.000 0.468 263 D N 0.911 121.155 120.400 -0.261 0.000 2.697 263 D HA -0.100 4.997 4.640 0.761 0.000 0.238 263 D C 1.192 177.390 176.300 -0.170 0.000 1.152 263 D CA 1.485 55.375 54.000 -0.183 0.000 0.666 263 D CB -1.533 39.197 40.800 -0.117 0.000 1.037 263 D HN 1.548 nan 8.370 nan 0.000 0.423 264 G N -0.698 107.995 108.800 -0.179 0.000 2.180 264 G HA2 -0.031 4.386 3.960 0.761 0.000 0.263 264 G HA3 -0.031 4.386 3.960 0.761 0.000 0.263 264 G C 1.464 176.280 174.900 -0.139 0.000 0.989 264 G CA 0.958 45.977 45.100 -0.135 0.000 0.692 264 G HN 1.806 nan 8.290 nan 0.000 0.526 265 G N -1.922 106.728 108.800 -0.250 0.000 2.218 265 G HA2 0.155 4.572 3.960 0.761 0.000 0.216 265 G HA3 0.155 4.572 3.960 0.761 0.000 0.216 265 G C 1.379 176.246 174.900 -0.055 0.000 0.994 265 G CA 1.158 46.138 45.100 -0.200 0.000 0.637 265 G HN 1.948 nan 8.290 nan 0.000 0.505 266 A N -0.538 122.253 122.820 -0.047 0.000 2.016 266 A HA 0.478 5.255 4.320 0.761 0.000 0.217 266 A C 1.329 179.053 177.584 0.232 0.000 1.162 266 A CA 1.729 53.827 52.037 0.101 0.000 0.662 266 A CB -0.356 18.685 19.000 0.069 0.000 0.812 266 A HN 1.454 nan 8.150 nan 0.000 0.450 267 Y N -0.954 119.382 120.300 0.059 0.000 3.589 267 Y HA -0.238 4.768 4.550 0.759 0.000 0.218 267 Y C 0.540 176.497 175.900 0.094 0.000 1.234 267 Y CA 0.527 58.670 58.100 0.072 0.000 1.576 267 Y CB -2.579 35.932 38.460 0.085 0.000 1.487 267 Y HN 0.582 nan 8.280 nan 0.000 0.616 268 N N -1.439 117.359 118.700 0.164 0.000 2.721 268 N HA -0.206 4.991 4.740 0.761 0.000 0.249 268 N C 0.320 175.980 175.510 0.251 0.000 1.072 268 N CA 1.216 54.367 53.050 0.169 0.000 0.710 268 N CB -1.002 37.561 38.487 0.127 0.000 0.993 268 N HN 0.651 nan 8.380 nan 0.000 0.547 269 S N -0.667 115.201 115.700 0.279 0.000 2.599 269 S HA 0.179 5.106 4.470 0.761 0.000 0.303 269 S C 1.694 176.547 174.600 0.421 0.000 1.267 269 S CA 0.335 58.747 58.200 0.354 0.000 1.055 269 S CB 0.785 64.183 63.200 0.330 0.000 0.790 269 S HN 0.449 nan 8.310 nan 0.000 0.500 270 A N 4.385 127.493 122.820 0.480 0.000 2.131 270 A HA -0.053 4.724 4.320 0.761 0.000 0.220 270 A C 1.425 179.245 177.584 0.394 0.000 1.158 270 A CA 1.281 53.562 52.037 0.405 0.000 0.665 270 A CB -0.762 18.366 19.000 0.213 0.000 0.795 270 A HN 0.982 nan 8.150 nan 0.000 0.460 271 W N 0.196 121.633 121.300 0.228 0.000 2.770 271 W HA 0.145 5.255 4.660 0.749 0.000 0.256 271 W C 0.912 177.401 176.519 -0.049 0.000 1.291 271 W CA -0.048 57.332 57.345 0.059 0.000 1.396 271 W CB 0.135 29.753 29.460 0.264 0.000 1.114 271 W HN 0.024 nan 8.180 nan 0.000 0.637 272 R N 0.975 121.623 120.500 0.247 0.000 2.438 272 R HA 0.142 4.939 4.340 0.761 0.000 0.287 272 R C -0.195 176.069 176.300 -0.060 0.000 1.077 272 R CA -0.309 55.854 56.100 0.104 0.000 1.034 272 R CB 0.814 31.188 30.300 0.124 0.000 0.993 272 R HN -0.257 nan 8.270 nan 0.000 0.459 273 V N 6.759 126.588 119.914 -0.141 0.000 2.458 273 V HA 0.018 4.595 4.120 0.761 0.000 0.287 273 V C -1.494 174.435 176.094 -0.276 0.000 1.009 273 V CA -0.810 61.323 62.300 -0.278 0.000 1.091 273 V CB 0.385 32.075 31.823 -0.223 0.000 0.960 273 V HN 0.621 nan 8.190 nan 0.000 0.476 274 P HA 0.318 nan 4.420 nan 0.000 0.276 274 P C -0.429 176.728 177.300 -0.238 0.000 1.235 274 P CA -0.454 62.451 63.100 -0.324 0.000 0.772 274 P CB 1.144 32.493 31.700 -0.584 0.000 0.871 275 R N 1.544 121.957 120.500 -0.146 0.000 2.602 275 R HA 0.305 5.102 4.340 0.761 0.000 0.237 275 R C 1.841 178.096 176.300 -0.075 0.000 1.219 275 R CA -0.612 55.416 56.100 -0.120 0.000 1.121 275 R CB 0.099 30.333 30.300 -0.110 0.000 1.408 275 R HN 0.359 nan 8.270 nan 0.000 0.559 276 K N 0.503 120.868 120.400 -0.059 0.000 2.063 276 K HA -0.153 4.623 4.320 0.761 0.000 0.208 276 K C 1.587 178.229 176.600 0.070 0.000 1.048 276 K CA 1.830 58.116 56.287 -0.001 0.000 0.928 276 K CB -0.172 32.309 32.500 -0.030 0.000 0.713 276 K HN 0.567 nan 8.250 nan 0.000 0.442 277 A N 0.897 123.739 122.820 0.038 0.000 1.933 277 A HA -0.205 4.571 4.320 0.761 0.000 0.218 277 A C 1.990 179.568 177.584 -0.009 0.000 1.175 277 A CA 1.603 53.677 52.037 0.062 0.000 0.628 277 A CB -0.476 18.492 19.000 -0.053 0.000 0.814 277 A HN 0.430 nan 8.150 nan 0.000 0.444 278 Q N -0.310 119.472 119.800 -0.029 0.000 2.119 278 Q HA -0.042 4.755 4.340 0.761 0.000 0.201 278 Q C 2.205 178.298 176.000 0.155 0.000 0.972 278 Q CA 1.504 57.330 55.803 0.038 0.000 0.847 278 Q CB -0.225 28.544 28.738 0.051 0.000 0.903 278 Q HN 0.670 nan 8.270 nan 0.000 0.433 279 R N 0.319 120.895 120.500 0.126 0.000 2.073 279 R HA -0.083 4.714 4.340 0.761 0.000 0.229 279 R C 1.434 177.844 176.300 0.183 0.000 1.120 279 R CA 1.272 57.468 56.100 0.159 0.000 0.967 279 R CB -0.197 30.166 30.300 0.104 0.000 0.862 279 R HN 0.294 nan 8.270 nan 0.000 0.436 280 D N 0.224 120.735 120.400 0.186 0.000 2.097 280 D HA -0.228 4.868 4.640 0.761 0.000 0.195 280 D C 1.516 177.933 176.300 0.194 0.000 0.989 280 D CA 0.797 54.886 54.000 0.148 0.000 0.827 280 D CB -0.368 40.539 40.800 0.177 0.000 0.966 280 D HN 0.310 nan 8.370 nan 0.000 0.456 281 W N 1.491 122.838 121.300 0.077 0.000 2.335 281 W HA -0.197 4.916 4.660 0.755 0.000 0.311 281 W C 2.100 178.733 176.519 0.190 0.000 1.213 281 W CA 0.898 58.316 57.345 0.120 0.000 1.274 281 W CB -0.452 28.984 29.460 -0.040 0.000 1.148 281 W HN -0.040 nan 8.180 nan 0.000 0.498 282 I N 0.820 121.527 120.570 0.230 0.000 2.151 282 I HA -0.380 4.247 4.170 0.761 0.000 0.243 282 I C 2.137 178.290 176.117 0.060 0.000 1.080 282 I CA 1.992 63.367 61.300 0.126 0.000 1.339 282 I CB -0.714 37.389 38.000 0.172 0.000 1.039 282 I HN -0.135 nan 8.210 nan 0.000 0.409 283 D N 0.305 120.779 120.400 0.124 0.000 2.117 283 D HA -0.203 4.894 4.640 0.761 0.000 0.197 283 D C 1.896 178.293 176.300 0.161 0.000 0.987 283 D CA 1.212 55.304 54.000 0.153 0.000 0.829 283 D CB -0.412 40.527 40.800 0.231 0.000 0.961 283 D HN 0.248 nan 8.370 nan 0.000 0.460 284 F N 1.467 121.401 119.950 -0.026 0.000 2.046 284 F HA -0.175 4.808 4.527 0.760 0.000 0.297 284 F C 2.163 177.851 175.800 -0.186 0.000 1.123 284 F CA 1.050 59.005 58.000 -0.073 0.000 1.199 284 F CB -0.663 38.217 39.000 -0.200 0.000 0.972 284 F HN -0.068 nan 8.300 nan 0.000 0.474 285 L N -0.461 120.406 121.223 -0.594 0.000 2.056 285 L HA -0.119 4.677 4.340 0.761 0.000 0.207 285 L C 2.606 179.366 176.870 -0.184 0.000 1.078 285 L CA 2.128 56.620 54.840 -0.579 0.000 0.749 285 L CB -1.182 40.528 42.059 -0.583 0.000 0.901 285 L HN 0.265 nan 8.230 nan 0.000 0.433 286 S N -0.478 115.155 115.700 -0.112 0.000 2.359 286 S HA -0.150 4.777 4.470 0.761 0.000 0.224 286 S C 2.006 176.602 174.600 -0.006 0.000 1.035 286 S CA 1.297 59.483 58.200 -0.023 0.000 1.018 286 S CB -0.925 62.279 63.200 0.005 0.000 0.876 286 S HN 0.711 nan 8.310 nan 0.000 0.448 287 G N 0.341 109.140 108.800 -0.003 0.000 2.469 287 G HA2 -0.241 4.176 3.960 0.761 0.000 0.219 287 G HA3 -0.241 4.176 3.960 0.761 0.000 0.219 287 G C 1.269 176.171 174.900 0.005 0.000 1.150 287 G CA 1.059 46.166 45.100 0.012 0.000 0.763 287 G HN 0.570 nan 8.290 nan 0.000 0.561 288 F N 1.246 121.098 119.950 -0.163 0.000 2.084 288 F HA -0.052 4.930 4.527 0.759 0.000 0.296 288 F C 2.720 178.484 175.800 -0.060 0.000 1.111 288 F CA 1.460 59.378 58.000 -0.138 0.000 1.224 288 F CB -0.517 38.364 39.000 -0.197 0.000 0.991 288 F HN 0.002 nan 8.300 nan 0.000 0.471 289 V N 1.290 121.146 119.914 -0.097 0.000 2.287 289 V HA -0.335 4.242 4.120 0.761 0.000 0.248 289 V C 2.593 178.590 176.094 -0.161 0.000 1.053 289 V CA 2.388 64.647 62.300 -0.069 0.000 1.027 289 V CB -0.740 31.173 31.823 0.150 0.000 0.646 289 V HN 0.302 nan 8.190 nan 0.000 0.447 290 R N 0.264 120.688 120.500 -0.126 0.000 2.083 290 R HA -0.213 4.584 4.340 0.761 0.000 0.237 290 R C 2.400 178.584 176.300 -0.193 0.000 1.137 290 R CA 1.916 57.930 56.100 -0.143 0.000 0.951 290 R CB -0.475 29.784 30.300 -0.068 0.000 0.851 290 R HN 0.837 nan 8.270 nan 0.000 0.434 291 E N 0.389 120.472 120.200 -0.194 0.000 2.160 291 E HA -0.190 4.616 4.350 0.761 0.000 0.195 291 E C 1.383 177.846 176.600 -0.229 0.000 0.991 291 E CA 1.133 57.416 56.400 -0.196 0.000 0.810 291 E CB -0.267 29.333 29.700 -0.167 0.000 0.742 291 E HN 0.331 nan 8.360 nan 0.000 0.466 292 N N 0.700 119.222 118.700 -0.296 0.000 2.333 292 N HA -0.042 5.155 4.740 0.761 0.000 0.178 292 N C 1.983 177.467 175.510 -0.044 0.000 1.018 292 N CA 0.932 53.876 53.050 -0.177 0.000 0.882 292 N CB 0.260 38.435 38.487 -0.521 0.000 0.984 292 N HN 0.089 nan 8.380 nan 0.000 0.434 293 V N 1.824 121.593 119.914 -0.242 0.000 2.358 293 V HA -0.176 4.401 4.120 0.761 0.000 0.246 293 V C 2.487 178.343 176.094 -0.396 0.000 1.047 293 V CA 1.369 63.305 62.300 -0.607 0.000 1.035 293 V CB -0.383 30.865 31.823 -0.958 0.000 0.658 293 V HN 0.268 nan 8.190 nan 0.000 0.452 294 K N -0.180 120.052 120.400 -0.280 0.000 2.103 294 K HA -0.277 4.499 4.320 0.761 0.000 0.207 294 K C 2.288 178.793 176.600 -0.158 0.000 1.048 294 K CA 1.937 58.099 56.287 -0.209 0.000 0.930 294 K CB -0.127 32.272 32.500 -0.169 0.000 0.716 294 K HN 0.509 nan 8.250 nan 0.000 0.444 295 Q N 0.484 120.204 119.800 -0.133 0.000 2.084 295 Q HA -0.140 4.657 4.340 0.761 0.000 0.202 295 Q C 2.158 178.179 176.000 0.034 0.000 0.978 295 Q CA 1.320 57.063 55.803 -0.100 0.000 0.844 295 Q CB -0.014 28.569 28.738 -0.258 0.000 0.898 295 Q HN 0.365 nan 8.270 nan 0.000 0.426 296 L N 0.034 121.295 121.223 0.063 0.000 2.042 296 L HA -0.212 4.584 4.340 0.761 0.000 0.210 296 L C 2.559 179.450 176.870 0.035 0.000 1.076 296 L CA 1.107 55.956 54.840 0.015 0.000 0.749 296 L CB -0.657 41.107 42.059 -0.492 0.000 0.893 296 L HN 0.294 nan 8.230 nan 0.000 0.432 297 A N -0.075 122.657 122.820 -0.147 0.000 1.877 297 A HA -0.232 4.545 4.320 0.761 0.000 0.216 297 A C 1.935 179.278 177.584 -0.401 0.000 1.186 297 A CA 1.998 53.879 52.037 -0.259 0.000 0.620 297 A CB -0.537 18.303 19.000 -0.266 0.000 0.822 297 A HN 0.362 nan 8.150 nan 0.000 0.443 298 D N -0.311 119.987 120.400 -0.170 0.000 2.117 298 D HA -0.147 4.950 4.640 0.761 0.000 0.197 298 D C 2.016 178.320 176.300 0.006 0.000 0.987 298 D CA 1.478 55.447 54.000 -0.052 0.000 0.829 298 D CB -0.387 40.397 40.800 -0.026 0.000 0.961 298 D HN 0.502 nan 8.370 nan 0.000 0.460 299 M N 0.367 120.004 119.600 0.061 0.000 2.175 299 M HA -0.113 4.824 4.480 0.761 0.000 0.264 299 M C 2.267 178.629 176.300 0.103 0.000 1.063 299 M CA 0.952 56.317 55.300 0.108 0.000 1.119 299 M CB -0.028 32.717 32.600 0.242 0.000 1.377 299 M HN -0.114 nan 8.290 nan 0.000 0.415 300 S N -0.651 115.154 115.700 0.175 0.000 2.355 300 S HA -0.144 4.783 4.470 0.761 0.000 0.222 300 S C 1.597 176.284 174.600 0.144 0.000 1.031 300 S CA 1.178 59.486 58.200 0.180 0.000 0.993 300 S CB -0.707 62.661 63.200 0.279 0.000 0.859 300 S HN 0.573 nan 8.310 nan 0.000 0.453 301 H N 1.344 120.481 119.070 0.112 0.000 2.321 301 H HA 0.005 5.018 4.556 0.761 0.000 0.300 301 H C 2.489 177.839 175.328 0.037 0.000 1.087 301 H CA 0.856 56.944 56.048 0.066 0.000 1.319 301 H CB -0.208 29.586 29.762 0.052 0.000 1.379 301 H HN 0.446 nan 8.280 nan 0.000 0.501 302 A N 1.101 124.011 122.820 0.151 0.000 2.024 302 A HA -0.108 4.669 4.320 0.761 0.000 0.220 302 A C 2.295 179.901 177.584 0.036 0.000 1.164 302 A CA 1.378 53.457 52.037 0.070 0.000 0.643 302 A CB -0.605 18.417 19.000 0.037 0.000 0.806 302 A HN 0.479 nan 8.150 nan 0.000 0.451 303 A N -1.599 121.241 122.820 0.032 0.000 2.278 303 A HA 0.438 5.215 4.320 0.761 0.000 0.212 303 A C 1.613 179.209 177.584 0.020 0.000 1.213 303 A CA 0.979 53.015 52.037 -0.003 0.000 0.840 303 A CB -1.065 17.905 19.000 -0.050 0.000 0.866 303 A HN 1.872 nan 8.150 nan 0.000 0.489 304 G N -0.136 108.698 108.800 0.057 0.000 2.176 304 G HA2 -0.251 4.166 3.960 0.761 0.000 0.252 304 G HA3 -0.251 4.166 3.960 0.761 0.000 0.252 304 G C -0.033 174.915 174.900 0.080 0.000 1.024 304 G CA 0.661 45.796 45.100 0.058 0.000 0.755 304 G HN 0.604 nan 8.290 nan 0.000 0.507 305 K N -0.041 120.436 120.400 0.128 0.000 2.318 305 K HA 0.491 5.267 4.320 0.761 0.000 0.249 305 K C 0.069 176.813 176.600 0.240 0.000 0.942 305 K CA -0.867 55.507 56.287 0.144 0.000 0.808 305 K CB 2.055 34.628 32.500 0.122 0.000 1.189 305 K HN 0.315 nan 8.250 nan 0.000 0.428 306 E N 0.713 121.032 120.200 0.199 0.000 2.373 306 E HA 0.286 5.092 4.350 0.761 0.000 0.263 306 E C -0.731 175.983 176.600 0.190 0.000 1.073 306 E CA -0.497 56.047 56.400 0.240 0.000 0.894 306 E CB 1.185 30.996 29.700 0.186 0.000 1.008 306 E HN 0.555 nan 8.360 nan 0.000 0.420 307 A N 3.261 126.212 122.820 0.218 0.000 2.287 307 A HA 0.500 5.277 4.320 0.761 0.000 0.317 307 A C -0.683 176.997 177.584 0.159 0.000 1.220 307 A CA -0.525 51.652 52.037 0.233 0.000 0.835 307 A CB 0.503 19.641 19.000 0.230 0.000 1.180 307 A HN 0.627 nan 8.150 nan 0.000 0.500 308 M N 4.302 123.974 119.600 0.119 0.000 2.326 308 M HA 0.646 5.583 4.480 0.761 0.000 0.306 308 M C -1.089 175.263 176.300 0.087 0.000 1.054 308 M CA -0.618 54.686 55.300 0.007 0.000 0.922 308 M CB 1.643 34.149 32.600 -0.156 0.000 1.632 308 M HN 0.825 nan 8.290 nan 0.000 0.436 309 M N 5.070 124.719 119.600 0.082 0.000 2.205 309 M HA 0.420 5.357 4.480 0.761 0.000 0.344 309 M C -1.843 174.482 176.300 0.042 0.000 1.085 309 M CA -0.606 54.723 55.300 0.048 0.000 1.001 309 M CB 1.197 33.928 32.600 0.219 0.000 1.626 309 M HN 0.771 nan 8.290 nan 0.000 0.442 310 F N 6.102 125.956 119.950 -0.160 0.000 2.445 310 F HA 0.347 5.343 4.527 0.782 0.000 0.359 310 F C -0.895 174.831 175.800 -0.122 0.000 1.101 310 F CA -0.815 57.106 58.000 -0.132 0.000 1.177 310 F CB 0.719 39.632 39.000 -0.145 0.000 1.110 310 F HN 0.618 nan 8.300 nan 0.000 0.522 311 L N 7.664 128.429 121.223 -0.762 0.000 2.415 311 L HA 0.556 5.353 4.340 0.761 0.000 0.269 311 L C 0.105 176.162 176.870 -1.354 0.000 1.244 311 L CA 0.732 55.068 54.840 -0.840 0.000 1.113 311 L CB -0.972 40.761 42.059 -0.543 0.000 1.352 311 L HN 0.842 nan 8.230 nan 0.000 0.433 312 G N 1.321 109.366 108.800 -1.258 0.000 2.333 312 G HA2 0.243 4.659 3.960 0.761 0.000 0.288 312 G HA3 0.243 4.659 3.960 0.761 0.000 0.288 312 G C -0.859 174.018 174.900 -0.038 0.000 1.286 312 G CA -0.182 44.441 45.100 -0.796 0.000 0.865 312 G HN 0.316 nan 8.290 nan 0.000 0.506 313 D N -0.708 119.933 120.400 0.403 0.000 3.584 313 D HA -0.199 4.898 4.640 0.761 0.000 0.153 313 D C 1.062 177.548 176.300 0.311 0.000 0.949 313 D CA 1.960 56.187 54.000 0.378 0.000 1.011 313 D CB -0.630 40.372 40.800 0.337 0.000 0.476 313 D HN 0.600 nan 8.370 nan 0.000 0.460 314 Q N 1.055 120.958 119.800 0.171 0.000 3.179 314 Q HA 0.147 4.944 4.340 0.761 0.000 0.328 314 Q C 0.735 176.835 176.000 0.168 0.000 1.336 314 Q CA -0.169 55.703 55.803 0.114 0.000 0.939 314 Q CB -0.663 28.086 28.738 0.019 0.000 1.658 314 Q HN 0.534 nan 8.270 nan 0.000 0.486 315 W N -0.384 120.897 121.300 -0.031 0.000 3.290 315 W HA 0.232 5.325 4.660 0.722 0.000 0.287 315 W C -0.783 175.740 176.519 0.006 0.000 1.288 315 W CA -0.492 56.824 57.345 -0.048 0.000 1.725 315 W CB 0.107 29.436 29.460 -0.219 0.000 1.103 315 W HN 0.064 nan 8.180 nan 0.000 0.670 316 I N 2.464 122.825 120.570 -0.349 0.000 2.648 316 I HA 0.201 4.828 4.170 0.761 0.000 0.284 316 I C 1.693 177.728 176.117 -0.136 0.000 1.153 316 I CA 1.563 62.586 61.300 -0.461 0.000 1.426 316 I CB -0.069 37.791 38.000 -0.232 0.000 1.381 316 I HN 0.430 nan 8.210 nan 0.000 0.571 317 G N 4.311 112.989 108.800 -0.203 0.000 2.213 317 G HA2 -0.326 4.090 3.960 0.761 0.000 0.236 317 G HA3 -0.326 4.090 3.960 0.761 0.000 0.236 317 G C 0.940 175.832 174.900 -0.014 0.000 0.991 317 G CA 0.587 45.656 45.100 -0.052 0.000 0.629 317 G HN 0.643 nan 8.290 nan 0.000 0.517 318 T N -0.852 113.701 114.554 -0.001 0.000 2.821 318 T HA 0.157 4.963 4.350 0.761 0.000 0.267 318 T C 0.892 175.657 174.700 0.108 0.000 1.046 318 T CA 1.398 63.572 62.100 0.124 0.000 1.139 318 T CB -0.221 68.816 68.868 0.281 0.000 0.871 318 T HN 0.785 nan 8.240 nan 0.000 0.454 319 E N 1.328 121.509 120.200 -0.031 0.000 2.246 319 E HA -0.132 4.675 4.350 0.761 0.000 0.173 319 E C -1.937 174.557 176.600 -0.176 0.000 1.532 319 E CA 0.521 56.890 56.400 -0.051 0.000 0.672 319 E CB -1.277 28.422 29.700 -0.002 0.000 1.078 319 E HN 0.445 nan 8.360 nan 0.000 0.338 320 P HA -0.155 nan 4.420 nan 0.000 0.219 320 P C 1.051 177.829 177.300 -0.869 0.000 1.146 320 P CA 1.231 63.520 63.100 -1.353 0.000 0.808 320 P CB 0.014 31.154 31.700 -0.933 0.000 0.779 321 Y N -1.163 118.975 120.300 -0.269 0.000 2.500 321 Y HA 0.128 5.142 4.550 0.773 0.000 0.270 321 Y C 1.246 177.117 175.900 -0.048 0.000 1.134 321 Y CA 0.237 58.264 58.100 -0.122 0.000 1.293 321 Y CB -0.092 38.308 38.460 -0.100 0.000 1.063 321 Y HN -0.219 nan 8.280 nan 0.000 0.534 322 K N 1.392 121.835 120.400 0.071 0.000 2.202 322 K HA 0.022 4.799 4.320 0.761 0.000 0.264 322 K C -0.505 176.157 176.600 0.103 0.000 1.010 322 K CA -0.353 55.987 56.287 0.089 0.000 0.940 322 K CB 0.363 32.912 32.500 0.081 0.000 0.983 322 K HN 0.034 nan 8.250 nan 0.000 0.475 323 D N 0.154 120.611 120.400 0.095 0.000 2.449 323 D HA 0.039 5.135 4.640 0.761 0.000 0.236 323 D C 1.224 177.584 176.300 0.101 0.000 1.149 323 D CA 1.295 55.350 54.000 0.091 0.000 0.878 323 D CB 0.695 41.535 40.800 0.067 0.000 1.198 323 D HN 0.799 nan 8.370 nan 0.000 0.446 324 G N 1.265 110.122 108.800 0.096 0.000 2.195 324 G HA2 -0.370 4.047 3.960 0.761 0.000 0.246 324 G HA3 -0.370 4.047 3.960 0.761 0.000 0.246 324 G C 0.927 175.882 174.900 0.093 0.000 0.984 324 G CA 0.292 45.435 45.100 0.073 0.000 0.633 324 G HN 0.469 nan 8.290 nan 0.000 0.525 325 F N 3.058 123.000 119.950 -0.013 0.000 2.154 325 F HA -0.114 4.881 4.527 0.780 0.000 0.301 325 F C 2.506 178.291 175.800 -0.026 0.000 1.087 325 F CA 2.531 60.515 58.000 -0.027 0.000 1.274 325 F CB -0.103 38.875 39.000 -0.037 0.000 1.009 325 F HN 0.371 nan 8.300 nan 0.000 0.485 326 D N -0.087 120.319 120.400 0.011 0.000 2.228 326 D HA -0.253 4.844 4.640 0.761 0.000 0.203 326 D C 1.543 177.774 176.300 -0.114 0.000 0.988 326 D CA 1.642 55.605 54.000 -0.063 0.000 0.864 326 D CB -1.048 39.762 40.800 0.016 0.000 0.928 326 D HN 0.527 nan 8.370 nan 0.000 0.469 327 E N 0.065 120.206 120.200 -0.098 0.000 2.338 327 E HA -0.011 4.796 4.350 0.761 0.000 0.197 327 E C 2.228 178.746 176.600 -0.137 0.000 1.007 327 E CA 0.174 56.520 56.400 -0.089 0.000 0.849 327 E CB -0.074 29.593 29.700 -0.055 0.000 0.774 327 E HN 0.419 nan 8.360 nan 0.000 0.506 328 L N -0.289 120.789 121.223 -0.242 0.000 2.275 328 L HA 0.016 4.813 4.340 0.761 0.000 0.215 328 L C 1.671 178.427 176.870 -0.191 0.000 1.119 328 L CA 0.670 55.346 54.840 -0.273 0.000 0.790 328 L CB -0.648 41.143 42.059 -0.446 0.000 0.919 328 L HN 0.257 nan 8.230 nan 0.000 0.443 329 G N 0.951 109.657 108.800 -0.156 0.000 2.179 329 G HA2 -0.294 4.123 3.960 0.761 0.000 0.257 329 G HA3 -0.294 4.123 3.960 0.761 0.000 0.257 329 G C 0.224 175.144 174.900 0.033 0.000 1.010 329 G CA -0.130 44.958 45.100 -0.021 0.000 0.736 329 G HN 0.245 nan 8.290 nan 0.000 0.513 330 L N 0.433 121.588 121.223 -0.114 0.000 2.499 330 L HA 0.130 4.927 4.340 0.761 0.000 0.273 330 L C 1.551 178.420 176.870 -0.002 0.000 1.195 330 L CA -0.102 54.705 54.840 -0.054 0.000 0.882 330 L CB 0.393 42.370 42.059 -0.136 0.000 1.133 330 L HN 0.185 nan 8.230 nan 0.000 0.483 331 D N 2.471 122.905 120.400 0.056 0.000 2.123 331 D HA 0.021 5.117 4.640 0.761 0.000 0.200 331 D C 0.463 176.596 176.300 -0.278 0.000 0.976 331 D CA 1.162 55.158 54.000 -0.006 0.000 0.831 331 D CB 0.426 41.292 40.800 0.110 0.000 0.974 331 D HN 0.593 nan 8.370 nan 0.000 0.469 332 A N 0.109 122.741 122.820 -0.314 0.000 2.594 332 A HA 0.519 5.296 4.320 0.761 0.000 0.295 332 A C -1.189 176.297 177.584 -0.165 0.000 1.071 332 A CA -0.605 51.141 52.037 -0.487 0.000 0.685 332 A CB 1.933 20.261 19.000 -1.120 0.000 1.285 332 A HN -0.087 nan 8.150 nan 0.000 0.405 333 V N 1.022 120.877 119.914 -0.099 0.000 2.459 333 V HA 0.622 5.199 4.120 0.761 0.000 0.295 333 V C -0.226 175.868 176.094 -0.001 0.000 1.029 333 V CA -0.629 61.666 62.300 -0.009 0.000 0.874 333 V CB 1.362 33.197 31.823 0.019 0.000 0.985 333 V HN 0.857 nan 8.190 nan 0.000 0.438 334 V N 4.225 124.163 119.914 0.040 0.000 2.581 334 V HA 1.009 5.585 4.120 0.761 0.000 0.303 334 V C 0.328 176.480 176.094 0.096 0.000 1.041 334 V CA 0.402 62.762 62.300 0.100 0.000 0.907 334 V CB 1.687 33.606 31.823 0.160 0.000 0.994 334 V HN 1.050 nan 8.190 nan 0.000 0.442 335 G N 3.072 111.906 108.800 0.057 0.000 2.695 335 G HA2 0.546 4.963 3.960 0.761 0.000 0.290 335 G HA3 0.546 4.963 3.960 0.761 0.000 0.290 335 G C -1.105 173.800 174.900 0.008 0.000 1.410 335 G CA -0.590 44.493 45.100 -0.028 0.000 0.844 335 G HN 0.796 nan 8.290 nan 0.000 0.478 336 S N 0.517 116.207 115.700 -0.017 0.000 2.523 336 S HA 0.368 5.294 4.470 0.761 0.000 0.275 336 S C 0.277 174.814 174.600 -0.105 0.000 1.281 336 S CA -0.484 57.687 58.200 -0.047 0.000 1.050 336 S CB 0.994 64.173 63.200 -0.034 0.000 0.937 336 S HN 0.388 nan 8.310 nan 0.000 0.492 337 I N 3.688 124.116 120.570 -0.236 0.000 2.308 337 I HA 0.194 4.821 4.170 0.761 0.000 0.293 337 I C 1.307 177.320 176.117 -0.172 0.000 1.078 337 I CA 0.131 61.243 61.300 -0.313 0.000 1.292 337 I CB 0.084 37.647 38.000 -0.729 0.000 1.423 337 I HN 0.908 nan 8.210 nan 0.000 0.493 338 G N 5.442 114.164 108.800 -0.130 0.000 2.762 338 G HA2 0.140 4.557 3.960 0.761 0.000 0.209 338 G HA3 0.140 4.557 3.960 0.761 0.000 0.209 338 G C 0.071 174.910 174.900 -0.102 0.000 1.134 338 G CA 0.307 45.341 45.100 -0.110 0.000 0.781 338 G HN 0.667 nan 8.290 nan 0.000 0.528 339 D N -3.431 116.890 120.400 -0.131 0.000 2.871 339 D HA 0.192 5.288 4.640 0.761 0.000 0.330 339 D C 1.232 177.417 176.300 -0.190 0.000 1.364 339 D CA 0.119 54.043 54.000 -0.126 0.000 0.759 339 D CB 0.217 40.966 40.800 -0.085 0.000 1.325 339 D HN 0.029 nan 8.370 nan 0.000 0.452 340 G N -0.532 108.123 108.800 -0.242 0.000 2.446 340 G HA2 -0.226 4.191 3.960 0.761 0.000 0.217 340 G HA3 -0.226 4.191 3.960 0.761 0.000 0.217 340 G C 1.179 175.848 174.900 -0.384 0.000 1.168 340 G CA 1.992 46.908 45.100 -0.307 0.000 0.771 340 G HN 0.551 nan 8.290 nan 0.000 0.551 341 T N 1.125 115.468 114.554 -0.351 0.000 2.684 341 T HA -0.185 4.622 4.350 0.761 0.000 0.267 341 T C 2.773 177.315 174.700 -0.264 0.000 1.036 341 T CA 2.327 64.235 62.100 -0.319 0.000 1.148 341 T CB -0.666 68.038 68.868 -0.273 0.000 0.863 341 T HN 0.591 nan 8.240 nan 0.000 0.436 342 T N -0.182 114.248 114.554 -0.207 0.000 2.985 342 T HA -0.044 4.762 4.350 0.761 0.000 0.266 342 T C 2.066 176.663 174.700 -0.171 0.000 1.076 342 T CA 1.269 63.264 62.100 -0.174 0.000 1.135 342 T CB -0.789 67.912 68.868 -0.279 0.000 0.890 342 T HN 0.264 nan 8.240 nan 0.000 0.480 343 T N 1.951 116.366 114.554 -0.232 0.000 2.708 343 T HA -0.040 4.767 4.350 0.761 0.000 0.266 343 T C 2.213 176.764 174.700 -0.249 0.000 1.037 343 T CA 0.894 62.863 62.100 -0.219 0.000 1.146 343 T CB -0.176 68.564 68.868 -0.215 0.000 0.865 343 T HN 0.244 nan 8.240 nan 0.000 0.435 344 R N 0.870 121.089 120.500 -0.469 0.000 2.096 344 R HA 0.086 4.883 4.340 0.761 0.000 0.235 344 R C 2.381 178.448 176.300 -0.388 0.000 1.127 344 R CA 0.914 56.600 56.100 -0.689 0.000 0.968 344 R CB -0.970 28.246 30.300 -1.807 0.000 0.861 344 R HN 0.450 nan 8.270 nan 0.000 0.440 345 M N 0.219 119.685 119.600 -0.224 0.000 2.106 345 M HA -0.190 4.747 4.480 0.761 0.000 0.259 345 M C 1.918 178.319 176.300 0.168 0.000 1.068 345 M CA 1.745 57.120 55.300 0.125 0.000 1.100 345 M CB -0.055 32.627 32.600 0.136 0.000 1.351 345 M HN 0.030 nan 8.290 nan 0.000 0.404 346 I N -0.280 120.307 120.570 0.029 0.000 2.235 346 I HA -0.176 4.451 4.170 0.761 0.000 0.241 346 I C 2.623 178.766 176.117 0.042 0.000 1.085 346 I CA 1.047 62.356 61.300 0.015 0.000 1.378 346 I CB -0.666 37.323 38.000 -0.018 0.000 1.076 346 I HN 0.303 nan 8.210 nan 0.000 0.415 347 A N 0.548 123.386 122.820 0.030 0.000 1.908 347 A HA -0.258 4.519 4.320 0.761 0.000 0.218 347 A C 1.774 179.419 177.584 0.103 0.000 1.181 347 A CA 2.340 54.413 52.037 0.060 0.000 0.627 347 A CB -0.691 18.319 19.000 0.015 0.000 0.818 347 A HN 0.377 nan 8.150 nan 0.000 0.445 348 D N -0.488 120.015 120.400 0.172 0.000 2.363 348 D HA 0.115 5.211 4.640 0.761 0.000 0.220 348 D C 0.394 176.809 176.300 0.191 0.000 0.994 348 D CA 0.063 54.238 54.000 0.291 0.000 0.890 348 D CB -0.272 40.855 40.800 0.545 0.000 0.906 348 D HN 0.482 nan 8.370 nan 0.000 0.530 349 I N 3.176 123.717 120.570 -0.048 0.000 2.742 349 I HA 0.006 4.633 4.170 0.761 0.000 0.287 349 I C -1.824 174.206 176.117 -0.145 0.000 1.186 349 I CA -1.163 59.887 61.300 -0.417 0.000 1.417 349 I CB 0.154 37.936 38.000 -0.364 0.000 1.377 349 I HN -0.148 nan 8.210 nan 0.000 0.556 350 P HA 0.248 nan 4.420 nan 0.000 0.279 350 P C 0.477 177.854 177.300 0.129 0.000 1.252 350 P CA -0.150 62.966 63.100 0.028 0.000 0.811 350 P CB 1.216 32.944 31.700 0.047 0.000 1.035 351 G N -0.385 108.488 108.800 0.122 0.000 2.137 351 G HA2 -0.078 4.339 3.960 0.761 0.000 0.237 351 G HA3 -0.078 4.339 3.960 0.761 0.000 0.237 351 G C -0.081 174.871 174.900 0.087 0.000 1.002 351 G CA 0.131 45.303 45.100 0.120 0.000 0.702 351 G HN 0.747 nan 8.290 nan 0.000 0.515 352 V N -4.153 115.821 119.914 0.099 0.000 3.113 352 V HA 0.808 5.385 4.120 0.761 0.000 0.316 352 V C 1.159 177.288 176.094 0.058 0.000 1.125 352 V CA -0.342 61.987 62.300 0.048 0.000 1.026 352 V CB 1.662 33.513 31.823 0.046 0.000 1.080 352 V HN 0.052 nan 8.190 nan 0.000 0.444 353 K N 0.532 120.962 120.400 0.050 0.000 2.211 353 K HA 0.240 5.017 4.320 0.761 0.000 0.201 353 K C -0.143 176.625 176.600 0.280 0.000 1.052 353 K CA 1.274 57.655 56.287 0.158 0.000 0.973 353 K CB 0.122 32.750 32.500 0.212 0.000 0.766 353 K HN 0.837 nan 8.250 nan 0.000 0.466 354 Y N -1.269 119.089 120.300 0.096 0.000 2.670 354 Y HA 0.448 5.456 4.550 0.764 0.000 0.334 354 Y C -0.852 175.121 175.900 0.123 0.000 1.185 354 Y CA -1.467 56.702 58.100 0.113 0.000 1.053 354 Y CB 1.106 39.634 38.460 0.112 0.000 1.298 354 Y HN -0.126 nan 8.280 nan 0.000 0.459 355 T N -1.351 113.369 114.554 0.277 0.000 2.907 355 T HA 0.682 5.489 4.350 0.761 0.000 0.292 355 T C -1.347 173.525 174.700 0.287 0.000 1.043 355 T CA -0.739 61.468 62.100 0.177 0.000 1.003 355 T CB 2.438 71.395 68.868 0.148 0.000 1.084 355 T HN 0.924 nan 8.240 nan 0.000 0.483 356 E N 0.098 120.422 120.200 0.207 0.000 2.308 356 E HA 0.574 5.381 4.350 0.761 0.000 0.275 356 E C -0.636 176.046 176.600 0.137 0.000 0.890 356 E CA -0.972 55.563 56.400 0.224 0.000 0.754 356 E CB 1.662 31.515 29.700 0.255 0.000 1.207 356 E HN 1.028 nan 8.360 nan 0.000 0.426 357 G N 2.962 111.847 108.800 0.141 0.000 2.356 357 G HA2 0.296 4.712 3.960 0.761 0.000 0.322 357 G HA3 0.296 4.712 3.960 0.761 0.000 0.322 357 G C -0.707 174.153 174.900 -0.068 0.000 1.125 357 G CA -0.564 44.515 45.100 -0.035 0.000 0.885 357 G HN 0.283 nan 8.290 nan 0.000 0.467 358 R N 2.794 123.199 120.500 -0.159 0.000 2.204 358 R HA 0.274 5.071 4.340 0.761 0.000 0.341 358 R C -0.864 175.274 176.300 -0.270 0.000 1.035 358 R CA -0.478 55.529 56.100 -0.155 0.000 0.887 358 R CB 0.015 30.273 30.300 -0.069 0.000 1.114 358 R HN 0.399 nan 8.270 nan 0.000 0.473 359 F N 3.090 122.779 119.950 -0.435 0.000 2.375 359 F HA 0.348 5.340 4.527 0.775 0.000 0.313 359 F C 0.907 176.639 175.800 -0.113 0.000 1.176 359 F CA -0.398 57.401 58.000 -0.335 0.000 1.142 359 F CB 0.785 39.471 39.000 -0.524 0.000 1.275 359 F HN 0.166 nan 8.300 nan 0.000 0.544 360 L N 2.221 123.635 121.223 0.319 0.000 2.322 360 L HA 0.493 5.290 4.340 0.761 0.000 0.269 360 L C -2.335 174.913 176.870 0.629 0.000 1.012 360 L CA -2.101 52.983 54.840 0.407 0.000 0.815 360 L CB 1.828 44.041 42.059 0.256 0.000 1.295 360 L HN 0.295 nan 8.230 nan 0.000 0.438 361 P HA 0.028 nan 4.420 nan 0.000 0.277 361 P C -1.034 176.649 177.300 0.639 0.000 1.240 361 P CA -0.368 63.048 63.100 0.526 0.000 0.798 361 P CB 0.556 32.495 31.700 0.399 0.000 0.979 362 Y N 1.954 122.447 120.300 0.321 0.000 2.811 362 Y HA -0.027 4.983 4.550 0.766 0.000 0.334 362 Y C 0.395 176.583 175.900 0.479 0.000 1.247 362 Y CA 0.137 58.375 58.100 0.230 0.000 1.526 362 Y CB -0.282 38.251 38.460 0.121 0.000 1.284 362 Y HN 0.152 nan 8.280 nan 0.000 0.586 363 F N 7.869 127.697 119.950 -0.203 0.000 2.651 363 F HA 0.192 5.178 4.527 0.764 0.000 0.347 363 F C -0.350 175.365 175.800 -0.142 0.000 1.284 363 F CA -0.496 57.255 58.000 -0.415 0.000 1.175 363 F CB -1.642 37.063 39.000 -0.492 0.000 1.542 363 F HN 0.271 nan 8.300 nan 0.000 0.661 364 F N 3.562 123.616 119.950 0.174 0.000 2.613 364 F HA 0.438 5.425 4.527 0.766 0.000 0.310 364 F C -1.770 174.232 175.800 0.337 0.000 1.085 364 F CA -2.185 55.989 58.000 0.289 0.000 0.945 364 F CB 2.511 41.762 39.000 0.418 0.000 1.298 364 F HN -0.119 nan 8.300 nan 0.000 0.455 365 P HA -0.137 nan 4.420 nan 0.000 0.228 365 P C 0.761 178.260 177.300 0.332 0.000 1.151 365 P CA 1.393 64.598 63.100 0.175 0.000 0.770 365 P CB -0.092 31.592 31.700 -0.027 0.000 0.786 366 D N -0.337 120.323 120.400 0.434 0.000 2.224 366 D HA -0.105 4.992 4.640 0.761 0.000 0.205 366 D C 1.473 178.025 176.300 0.421 0.000 0.965 366 D CA 1.814 56.029 54.000 0.358 0.000 0.852 366 D CB -0.642 40.368 40.800 0.350 0.000 0.947 366 D HN 0.251 nan 8.370 nan 0.000 0.494 367 T N -3.013 111.772 114.554 0.384 0.000 2.964 367 T HA 0.169 4.976 4.350 0.761 0.000 0.249 367 T C 0.514 175.072 174.700 -0.236 0.000 1.000 367 T CA -0.533 61.642 62.100 0.126 0.000 0.992 367 T CB -0.694 68.162 68.868 -0.021 0.000 1.087 367 T HN -0.044 nan 8.240 nan 0.000 0.489 368 F N 3.949 123.839 119.950 -0.099 0.000 2.605 368 F HA 0.445 5.428 4.527 0.759 0.000 0.352 368 F C -0.496 175.348 175.800 0.073 0.000 1.236 368 F CA -1.271 56.490 58.000 -0.398 0.000 1.267 368 F CB -0.226 38.525 39.000 -0.415 0.000 1.632 368 F HN 0.353 nan 8.300 nan 0.000 0.639 369 Y N -0.801 119.597 120.300 0.163 0.000 2.492 369 Y HA 0.517 5.523 4.550 0.760 0.000 0.346 369 Y C -0.247 175.841 175.900 0.314 0.000 0.997 369 Y CA -2.562 55.697 58.100 0.264 0.000 1.025 369 Y CB 0.550 39.088 38.460 0.131 0.000 1.263 369 Y HN 0.279 nan 8.280 nan 0.000 0.454 370 E N 2.308 122.727 120.200 0.365 0.000 3.131 370 E HA 0.257 5.064 4.350 0.761 0.000 0.258 370 E C 1.141 177.847 176.600 0.177 0.000 0.901 370 E CA 2.349 58.864 56.400 0.192 0.000 0.964 370 E CB -0.457 29.326 29.700 0.139 0.000 0.903 370 E HN 1.236 nan 8.360 nan 0.000 0.537 371 G N 3.716 112.563 108.800 0.078 0.000 2.611 371 G HA2 -0.330 4.087 3.960 0.761 0.000 0.208 371 G HA3 -0.330 4.087 3.960 0.761 0.000 0.208 371 G C 0.356 175.223 174.900 -0.055 0.000 1.201 371 G CA -0.074 45.050 45.100 0.041 0.000 0.739 371 G HN 0.774 nan 8.290 nan 0.000 0.528 372 N N 1.677 120.209 118.700 -0.281 0.000 2.453 372 N HA 0.448 5.645 4.740 0.761 0.000 0.253 372 N C -1.092 174.284 175.510 -0.223 0.000 1.252 372 N CA 0.337 53.135 53.050 -0.421 0.000 0.917 372 N CB 0.968 38.826 38.487 -1.048 0.000 1.117 372 N HN 0.266 nan 8.380 nan 0.000 0.442 373 D N 1.990 122.271 120.400 -0.199 0.000 2.462 373 D HA 0.355 5.452 4.640 0.761 0.000 0.249 373 D C -2.133 174.053 176.300 -0.190 0.000 1.117 373 D CA -2.040 51.891 54.000 -0.115 0.000 0.900 373 D CB 1.158 41.941 40.800 -0.027 0.000 1.039 373 D HN 0.355 nan 8.370 nan 0.000 0.516 374 P HA -0.030 nan 4.420 nan 0.000 0.236 374 P C 1.328 178.674 177.300 0.077 0.000 1.177 374 P CA 0.368 63.193 63.100 -0.459 0.000 0.773 374 P CB 0.246 31.064 31.700 -1.470 0.000 0.878 375 S N -0.509 115.333 115.700 0.237 0.000 2.419 375 S HA -0.146 4.781 4.470 0.761 0.000 0.233 375 S C 1.860 176.558 174.600 0.163 0.000 1.016 375 S CA 0.836 59.208 58.200 0.286 0.000 0.974 375 S CB -1.380 61.923 63.200 0.172 0.000 0.786 375 S HN 0.054 nan 8.310 nan 0.000 0.492 376 I N 1.518 122.150 120.570 0.102 0.000 2.142 376 I HA -0.140 4.487 4.170 0.761 0.000 0.240 376 I C 2.998 179.188 176.117 0.121 0.000 1.078 376 I CA 1.819 63.171 61.300 0.087 0.000 1.343 376 I CB -0.447 37.582 38.000 0.048 0.000 1.046 376 I HN 0.405 nan 8.210 nan 0.000 0.405 377 E N 0.893 121.162 120.200 0.116 0.000 2.118 377 E HA -0.214 4.593 4.350 0.761 0.000 0.195 377 E C 2.241 178.996 176.600 0.259 0.000 0.992 377 E CA 1.339 57.833 56.400 0.157 0.000 0.804 377 E CB -0.207 29.564 29.700 0.118 0.000 0.741 377 E HN 0.568 nan 8.360 nan 0.000 0.458 378 G N 0.981 109.984 108.800 0.339 0.000 2.418 378 G HA2 -0.243 4.174 3.960 0.761 0.000 0.217 378 G HA3 -0.243 4.174 3.960 0.761 0.000 0.217 378 G C 1.562 176.661 174.900 0.331 0.000 1.158 378 G CA 0.577 45.916 45.100 0.399 0.000 0.771 378 G HN 0.174 nan 8.290 nan 0.000 0.545 379 L N 0.109 121.486 121.223 0.257 0.000 2.109 379 L HA 0.011 4.807 4.340 0.761 0.000 0.207 379 L C 2.564 179.600 176.870 0.277 0.000 1.086 379 L CA 0.849 55.860 54.840 0.285 0.000 0.760 379 L CB -0.354 41.823 42.059 0.196 0.000 0.910 379 L HN 0.070 nan 8.230 nan 0.000 0.437 380 D N 0.061 120.588 120.400 0.212 0.000 2.103 380 D HA -0.254 4.843 4.640 0.761 0.000 0.190 380 D C 1.911 178.325 176.300 0.191 0.000 0.997 380 D CA 1.346 55.448 54.000 0.169 0.000 0.833 380 D CB -0.394 40.489 40.800 0.139 0.000 0.961 380 D HN 0.222 nan 8.370 nan 0.000 0.447 381 N N -0.194 118.655 118.700 0.248 0.000 2.061 381 N HA -0.183 5.014 4.740 0.761 0.000 0.193 381 N C 1.959 177.705 175.510 0.393 0.000 1.030 381 N CA 1.105 54.324 53.050 0.283 0.000 0.856 381 N CB -0.271 38.422 38.487 0.342 0.000 1.023 381 N HN 0.410 nan 8.380 nan 0.000 0.424 382 W N 2.049 123.523 121.300 0.291 0.000 2.358 382 W HA -0.143 4.974 4.660 0.762 0.000 0.303 382 W C 1.946 178.591 176.519 0.210 0.000 1.208 382 W CA 0.788 58.299 57.345 0.277 0.000 1.274 382 W CB -0.160 29.391 29.460 0.152 0.000 1.138 382 W HN 0.116 nan 8.180 nan 0.000 0.515 383 R N 0.416 120.883 120.500 -0.055 0.000 2.073 383 R HA -0.140 4.657 4.340 0.761 0.000 0.234 383 R C 2.352 178.538 176.300 -0.190 0.000 1.134 383 R CA 1.645 57.618 56.100 -0.212 0.000 0.952 383 R CB -0.495 29.790 30.300 -0.025 0.000 0.850 383 R HN 0.142 nan 8.270 nan 0.000 0.433 384 K N 0.234 120.595 120.400 -0.066 0.000 2.103 384 K HA -0.107 4.670 4.320 0.761 0.000 0.207 384 K C 2.080 178.601 176.600 -0.133 0.000 1.048 384 K CA 1.459 57.700 56.287 -0.076 0.000 0.930 384 K CB -0.080 32.402 32.500 -0.031 0.000 0.716 384 K HN 0.154 nan 8.250 nan 0.000 0.444 385 A N 1.281 124.044 122.820 -0.095 0.000 1.930 385 A HA -0.099 4.678 4.320 0.761 0.000 0.215 385 A C 2.072 179.535 177.584 -0.202 0.000 1.176 385 A CA 0.863 52.854 52.037 -0.077 0.000 0.632 385 A CB -0.313 18.786 19.000 0.165 0.000 0.819 385 A HN 0.190 nan 8.150 nan 0.000 0.445 386 R N 0.594 120.789 120.500 -0.509 0.000 2.081 386 R HA -0.200 4.597 4.340 0.761 0.000 0.235 386 R C 2.425 178.527 176.300 -0.329 0.000 1.131 386 R CA 1.833 57.517 56.100 -0.693 0.000 0.960 386 R CB -0.326 29.262 30.300 -1.188 0.000 0.856 386 R HN 0.667 nan 8.270 nan 0.000 0.436 387 R N -0.296 120.048 120.500 -0.261 0.000 2.152 387 R HA -0.034 4.762 4.340 0.761 0.000 0.232 387 R C 1.947 178.163 176.300 -0.140 0.000 1.117 387 R CA 1.420 57.422 56.100 -0.163 0.000 0.981 387 R CB -0.421 29.808 30.300 -0.120 0.000 0.870 387 R HN 0.204 nan 8.270 nan 0.000 0.451 388 A N 1.578 124.297 122.820 -0.169 0.000 1.935 388 A HA 0.090 4.867 4.320 0.761 0.000 0.214 388 A C 2.190 179.703 177.584 -0.119 0.000 1.178 388 A CA 0.648 52.578 52.037 -0.179 0.000 0.640 388 A CB -0.258 18.588 19.000 -0.256 0.000 0.825 388 A HN 0.260 nan 8.150 nan 0.000 0.447 389 I N 0.087 120.607 120.570 -0.083 0.000 2.286 389 I HA -0.268 4.359 4.170 0.761 0.000 0.248 389 I C 2.201 178.321 176.117 0.005 0.000 1.115 389 I CA 1.023 62.315 61.300 -0.014 0.000 1.392 389 I CB -0.257 37.767 38.000 0.039 0.000 1.065 389 I HN 0.296 nan 8.210 nan 0.000 0.418 390 L N 0.055 121.282 121.223 0.007 0.000 2.127 390 L HA -0.204 4.593 4.340 0.761 0.000 0.211 390 L C 2.603 179.501 176.870 0.047 0.000 1.089 390 L CA 1.076 55.973 54.840 0.095 0.000 0.757 390 L CB -0.574 41.523 42.059 0.064 0.000 0.899 390 L HN 0.255 nan 8.230 nan 0.000 0.434 391 R N -0.981 119.510 120.500 -0.014 0.000 2.140 391 R HA 0.130 4.927 4.340 0.761 0.000 0.213 391 R C 0.842 177.149 176.300 0.012 0.000 1.059 391 R CA 0.416 56.504 56.100 -0.021 0.000 1.000 391 R CB -0.141 30.142 30.300 -0.029 0.000 0.910 391 R HN 0.142 nan 8.270 nan 0.000 0.455 392 S N 1.198 116.904 115.700 0.009 0.000 2.423 392 S HA 0.365 5.291 4.470 0.761 0.000 0.213 392 S C -2.864 171.758 174.600 0.036 0.000 1.131 392 S CA -1.342 56.878 58.200 0.034 0.000 1.155 392 S CB 1.190 64.412 63.200 0.035 0.000 1.202 392 S HN -0.179 nan 8.310 nan 0.000 0.441 393 P HA 0.281 nan 4.420 nan 0.000 0.268 393 P C -0.416 176.959 177.300 0.126 0.000 1.204 393 P CA -0.213 62.906 63.100 0.031 0.000 0.768 393 P CB 0.201 31.861 31.700 -0.066 0.000 0.842 394 I N -1.178 119.515 120.570 0.206 0.000 2.460 394 I HA 0.398 5.025 4.170 0.761 0.000 0.298 394 I C 0.864 177.281 176.117 0.500 0.000 0.989 394 I CA -0.332 61.162 61.300 0.323 0.000 1.173 394 I CB 1.842 40.053 38.000 0.351 0.000 1.338 394 I HN 0.072 nan 8.210 nan 0.000 0.456 395 S N 3.496 119.474 115.700 0.462 0.000 2.387 395 S HA 0.096 5.023 4.470 0.761 0.000 0.226 395 S C 0.652 175.535 174.600 0.472 0.000 1.026 395 S CA 0.787 59.236 58.200 0.415 0.000 0.972 395 S CB -0.268 63.151 63.200 0.363 0.000 0.814 395 S HN 0.678 nan 8.310 nan 0.000 0.477 396 R N -0.250 120.564 120.500 0.525 0.000 2.774 396 R HA 0.624 5.420 4.340 0.761 0.000 0.272 396 R C -0.778 175.546 176.300 0.041 0.000 1.000 396 R CA -0.549 55.716 56.100 0.276 0.000 0.906 396 R CB 1.796 32.219 30.300 0.204 0.000 1.227 396 R HN 0.257 nan 8.270 nan 0.000 0.468 397 M N -0.943 118.368 119.600 -0.482 0.000 2.796 397 M HA 0.927 5.864 4.480 0.761 0.000 0.303 397 M C -0.402 175.533 176.300 -0.609 0.000 1.240 397 M CA -0.591 54.401 55.300 -0.512 0.000 0.831 397 M CB 2.674 34.594 32.600 -1.134 0.000 1.750 397 M HN 0.641 nan 8.290 nan 0.000 0.484 398 G N -0.289 108.129 108.800 -0.636 0.000 2.328 398 G HA2 0.517 4.934 3.960 0.761 0.000 0.295 398 G HA3 0.517 4.934 3.960 0.761 0.000 0.295 398 G C -2.557 171.947 174.900 -0.659 0.000 1.413 398 G CA -0.766 43.870 45.100 -0.773 0.000 0.817 398 G HN 0.778 nan 8.290 nan 0.000 0.546 399 Y N -1.023 119.067 120.300 -0.350 0.000 2.634 399 Y HA 0.786 5.795 4.550 0.765 0.000 0.340 399 Y C 0.802 176.467 175.900 -0.392 0.000 1.058 399 Y CA -0.074 57.824 58.100 -0.337 0.000 1.081 399 Y CB 2.650 40.817 38.460 -0.488 0.000 1.295 399 Y HN 0.929 nan 8.280 nan 0.000 0.487 400 G N -0.804 107.812 108.800 -0.306 0.000 2.658 400 G HA2 0.630 5.047 3.960 0.761 0.000 0.292 400 G HA3 0.630 5.047 3.960 0.761 0.000 0.292 400 G C -0.373 174.110 174.900 -0.695 0.000 1.320 400 G CA -0.363 44.585 45.100 -0.254 0.000 0.933 400 G HN 1.218 nan 8.290 nan 0.000 0.476 401 G N -1.222 107.186 108.800 -0.654 0.000 2.378 401 G HA2 0.075 4.492 3.960 0.761 0.000 0.198 401 G HA3 0.075 4.492 3.960 0.761 0.000 0.198 401 G C -1.188 173.413 174.900 -0.498 0.000 1.223 401 G CA -0.605 43.947 45.100 -0.914 0.000 1.088 401 G HN 0.948 nan 8.290 nan 0.000 0.530 402 Y N 0.669 120.922 120.300 -0.078 0.000 2.425 402 Y HA 0.513 5.520 4.550 0.763 0.000 0.347 402 Y C 1.563 177.443 175.900 -0.032 0.000 0.976 402 Y CA -0.344 57.709 58.100 -0.079 0.000 1.190 402 Y CB 1.369 39.730 38.460 -0.164 0.000 1.136 402 Y HN 0.538 nan 8.280 nan 0.000 0.517 403 L N 2.275 123.552 121.223 0.090 0.000 2.187 403 L HA -0.210 4.586 4.340 0.761 0.000 0.213 403 L C 2.185 178.915 176.870 -0.233 0.000 1.100 403 L CA 2.103 56.963 54.840 0.033 0.000 0.765 403 L CB -0.510 41.582 42.059 0.055 0.000 0.904 403 L HN 0.740 nan 8.230 nan 0.000 0.437 404 S N -2.072 113.352 115.700 -0.461 0.000 2.414 404 S HA -0.099 4.828 4.470 0.761 0.000 0.227 404 S C 2.019 176.513 174.600 -0.178 0.000 1.022 404 S CA 0.716 58.630 58.200 -0.476 0.000 0.958 404 S CB -0.702 62.092 63.200 -0.678 0.000 0.797 404 S HN 0.414 nan 8.310 nan 0.000 0.493 405 L N 1.223 122.336 121.223 -0.184 0.000 2.046 405 L HA -0.024 4.773 4.340 0.761 0.000 0.208 405 L C 3.002 179.773 176.870 -0.165 0.000 1.077 405 L CA 1.500 56.248 54.840 -0.154 0.000 0.747 405 L CB -0.541 41.387 42.059 -0.219 0.000 0.896 405 L HN 0.496 nan 8.230 nan 0.000 0.432 406 A N -0.965 121.548 122.820 -0.511 0.000 1.975 406 A HA 0.027 4.803 4.320 0.761 0.000 0.215 406 A C 2.387 180.016 177.584 0.074 0.000 1.170 406 A CA 1.009 52.730 52.037 -0.526 0.000 0.656 406 A CB -0.594 17.676 19.000 -1.217 0.000 0.821 406 A HN 0.382 nan 8.150 nan 0.000 0.449 407 A N 0.189 123.024 122.820 0.025 0.000 2.131 407 A HA -0.135 4.641 4.320 0.761 0.000 0.220 407 A C 1.829 179.486 177.584 0.121 0.000 1.158 407 A CA 1.507 53.609 52.037 0.108 0.000 0.665 407 A CB -0.354 18.751 19.000 0.175 0.000 0.795 407 A HN 0.485 nan 8.150 nan 0.000 0.460 408 K N -1.449 119.031 120.400 0.134 0.000 2.458 408 K HA 0.158 4.935 4.320 0.761 0.000 0.194 408 K C -0.968 175.511 176.600 -0.203 0.000 1.024 408 K CA 0.144 56.416 56.287 -0.025 0.000 1.108 408 K CB 0.073 32.520 32.500 -0.089 0.000 0.846 408 K HN 0.495 nan 8.250 nan 0.000 0.518 409 F N 1.810 121.829 119.950 0.115 0.000 2.453 409 F HA 0.210 5.195 4.527 0.764 0.000 0.358 409 F C -1.618 174.289 175.800 0.177 0.000 1.129 409 F CA -2.210 55.879 58.000 0.148 0.000 1.200 409 F CB 1.444 40.570 39.000 0.210 0.000 1.431 409 F HN -0.120 nan 8.300 nan 0.000 0.503 410 P HA -0.219 nan 4.420 nan 0.000 0.220 410 P C 1.588 178.998 177.300 0.183 0.000 1.148 410 P CA 1.329 64.524 63.100 0.159 0.000 0.803 410 P CB 0.415 32.159 31.700 0.073 0.000 0.782 411 K N -0.716 119.804 120.400 0.200 0.000 2.025 411 K HA -0.144 4.633 4.320 0.761 0.000 0.207 411 K C 2.121 178.840 176.600 0.197 0.000 1.049 411 K CA 0.961 57.348 56.287 0.166 0.000 0.933 411 K CB -0.600 31.988 32.500 0.145 0.000 0.714 411 K HN -0.074 nan 8.250 nan 0.000 0.438 412 F N 1.471 121.504 119.950 0.139 0.000 2.126 412 F HA -0.220 4.763 4.527 0.759 0.000 0.299 412 F C 1.826 177.710 175.800 0.141 0.000 1.096 412 F CA 1.277 59.346 58.000 0.114 0.000 1.255 412 F CB -0.213 38.870 39.000 0.138 0.000 0.997 412 F HN -0.193 nan 8.300 nan 0.000 0.479 413 V N 0.343 120.460 119.914 0.339 0.000 2.407 413 V HA -0.307 4.270 4.120 0.761 0.000 0.248 413 V C 2.058 178.320 176.094 0.280 0.000 1.055 413 V CA 2.207 64.742 62.300 0.393 0.000 1.049 413 V CB -0.680 31.351 31.823 0.347 0.000 0.662 413 V HN 0.342 nan 8.190 nan 0.000 0.455 414 D N -0.231 120.254 120.400 0.141 0.000 2.123 414 D HA -0.112 4.985 4.640 0.761 0.000 0.200 414 D C 2.262 178.564 176.300 0.004 0.000 0.976 414 D CA 1.749 55.801 54.000 0.087 0.000 0.831 414 D CB -0.271 40.565 40.800 0.061 0.000 0.974 414 D HN 0.409 nan 8.370 nan 0.000 0.469 415 T N 1.204 115.707 114.554 -0.086 0.000 2.665 415 T HA -0.128 4.679 4.350 0.761 0.000 0.268 415 T C 2.317 176.852 174.700 -0.276 0.000 1.035 415 T CA 1.014 63.011 62.100 -0.173 0.000 1.151 415 T CB -0.453 68.269 68.868 -0.243 0.000 0.862 415 T HN -0.022 nan 8.240 nan 0.000 0.438 416 V N 1.691 121.285 119.914 -0.533 0.000 2.343 416 V HA -0.207 4.370 4.120 0.761 0.000 0.247 416 V C 2.785 178.524 176.094 -0.592 0.000 1.051 416 V CA 2.111 63.951 62.300 -0.766 0.000 1.036 416 V CB -1.380 29.580 31.823 -1.437 0.000 0.654 416 V HN 0.563 nan 8.190 nan 0.000 0.451 417 T N -0.710 113.683 114.554 -0.268 0.000 2.665 417 T HA -0.328 4.479 4.350 0.761 0.000 0.268 417 T C 1.828 176.477 174.700 -0.084 0.000 1.035 417 T CA 2.402 64.484 62.100 -0.030 0.000 1.151 417 T CB -0.457 68.499 68.868 0.146 0.000 0.862 417 T HN 0.781 nan 8.240 nan 0.000 0.438 418 H N 0.919 119.902 119.070 -0.145 0.000 2.321 418 H HA 0.021 5.034 4.556 0.761 0.000 0.300 418 H C 2.064 177.259 175.328 -0.222 0.000 1.087 418 H CA 1.555 57.526 56.048 -0.127 0.000 1.319 418 H CB -0.494 29.217 29.762 -0.085 0.000 1.379 418 H HN 0.340 nan 8.280 nan 0.000 0.501 419 I N 0.633 120.981 120.570 -0.370 0.000 2.099 419 I HA -0.287 4.340 4.170 0.761 0.000 0.239 419 I C 2.859 178.589 176.117 -0.644 0.000 1.066 419 I CA 1.156 62.025 61.300 -0.717 0.000 1.324 419 I CB -0.721 36.858 38.000 -0.702 0.000 1.037 419 I HN 0.493 nan 8.210 nan 0.000 0.401 420 A N 1.116 123.696 122.820 -0.400 0.000 1.896 420 A HA -0.301 4.475 4.320 0.761 0.000 0.220 420 A C 2.103 179.600 177.584 -0.145 0.000 1.206 420 A CA 2.543 54.451 52.037 -0.215 0.000 0.647 420 A CB -0.915 17.926 19.000 -0.266 0.000 0.828 420 A HN 0.473 nan 8.150 nan 0.000 0.455 421 N N -0.716 117.872 118.700 -0.187 0.000 2.142 421 N HA -0.143 5.054 4.740 0.761 0.000 0.186 421 N C 1.783 177.226 175.510 -0.113 0.000 1.023 421 N CA 1.526 54.503 53.050 -0.121 0.000 0.852 421 N CB -0.436 37.983 38.487 -0.114 0.000 0.998 421 N HN 0.774 nan 8.380 nan 0.000 0.424 422 E N -0.077 119.982 120.200 -0.235 0.000 2.051 422 E HA -0.171 4.636 4.350 0.761 0.000 0.192 422 E C 1.847 178.472 176.600 0.041 0.000 0.991 422 E CA 0.697 57.030 56.400 -0.112 0.000 0.799 422 E CB -0.200 29.381 29.700 -0.199 0.000 0.748 422 E HN 0.282 nan 8.360 nan 0.000 0.449 423 F N 1.483 121.280 119.950 -0.255 0.000 2.063 423 F HA -0.264 4.717 4.527 0.757 0.000 0.298 423 F C 2.369 178.216 175.800 0.078 0.000 1.109 423 F CA 1.931 59.889 58.000 -0.071 0.000 1.212 423 F CB -0.045 38.790 39.000 -0.274 0.000 0.973 423 F HN -0.094 nan 8.300 nan 0.000 0.480 424 R N -0.187 120.483 120.500 0.283 0.000 2.096 424 R HA -0.190 4.607 4.340 0.761 0.000 0.235 424 R C 1.942 178.272 176.300 0.051 0.000 1.127 424 R CA 1.734 57.944 56.100 0.182 0.000 0.968 424 R CB -0.747 29.630 30.300 0.128 0.000 0.861 424 R HN 0.375 nan 8.270 nan 0.000 0.440 425 D N 0.542 120.948 120.400 0.009 0.000 2.144 425 D HA -0.109 4.987 4.640 0.761 0.000 0.199 425 D C 1.750 177.969 176.300 -0.134 0.000 0.984 425 D CA 0.966 54.924 54.000 -0.070 0.000 0.834 425 D CB 0.054 40.820 40.800 -0.058 0.000 0.955 425 D HN 0.110 nan 8.370 nan 0.000 0.465 426 I N -0.466 120.095 120.570 -0.016 0.000 2.163 426 I HA -0.281 4.345 4.170 0.761 0.000 0.243 426 I C 2.126 178.128 176.117 -0.192 0.000 1.085 426 I CA 1.297 62.583 61.300 -0.024 0.000 1.347 426 I CB -0.363 37.712 38.000 0.124 0.000 1.044 426 I HN 0.161 nan 8.210 nan 0.000 0.408 427 H N 0.664 119.619 119.070 -0.193 0.000 2.319 427 H HA -0.200 4.812 4.556 0.760 0.000 0.299 427 H C 1.811 177.031 175.328 -0.180 0.000 1.092 427 H CA 2.127 58.070 56.048 -0.174 0.000 1.302 427 H CB -0.002 29.685 29.762 -0.126 0.000 1.373 427 H HN 0.295 nan 8.280 nan 0.000 0.497 428 D N -0.527 119.834 120.400 -0.065 0.000 2.183 428 D HA -0.051 5.046 4.640 0.761 0.000 0.203 428 D C 2.045 178.213 176.300 -0.221 0.000 0.969 428 D CA 0.727 54.661 54.000 -0.110 0.000 0.842 428 D CB -0.040 40.698 40.800 -0.102 0.000 0.957 428 D HN 0.363 nan 8.370 nan 0.000 0.484 429 R N -0.084 120.193 120.500 -0.373 0.000 2.119 429 R HA 0.002 4.799 4.340 0.761 0.000 0.222 429 R C 1.895 177.914 176.300 -0.467 0.000 1.088 429 R CA 1.423 57.212 56.100 -0.519 0.000 0.984 429 R CB 0.026 29.737 30.300 -0.982 0.000 0.884 429 R HN 0.228 nan 8.270 nan 0.000 0.447 430 T N -4.138 110.137 114.554 -0.466 0.000 3.023 430 T HA 0.201 5.007 4.350 0.761 0.000 0.253 430 T C 1.320 175.864 174.700 -0.261 0.000 1.038 430 T CA 0.355 62.149 62.100 -0.510 0.000 0.962 430 T CB 1.015 69.393 68.868 -0.817 0.000 1.018 430 T HN 0.297 nan 8.240 nan 0.000 0.521 431 G N 1.426 110.117 108.800 -0.181 0.000 2.203 431 G HA2 0.059 4.476 3.960 0.761 0.000 0.263 431 G HA3 0.059 4.476 3.960 0.761 0.000 0.263 431 G C 1.117 175.994 174.900 -0.039 0.000 1.012 431 G CA 0.411 45.472 45.100 -0.066 0.000 0.749 431 G HN 1.807 nan 8.290 nan 0.000 0.512 432 G N -2.754 105.932 108.800 -0.190 0.000 2.160 432 G HA2 -0.009 4.408 3.960 0.761 0.000 0.251 432 G HA3 -0.009 4.408 3.960 0.761 0.000 0.251 432 G C 0.386 175.232 174.900 -0.090 0.000 1.008 432 G CA 0.602 45.526 45.100 -0.294 0.000 0.724 432 G HN 1.608 nan 8.290 nan 0.000 0.514 433 V N 0.655 120.548 119.914 -0.035 0.000 2.567 433 V HA 0.720 5.297 4.120 0.761 0.000 0.289 433 V C 1.115 177.321 176.094 0.186 0.000 1.049 433 V CA -0.245 62.099 62.300 0.073 0.000 0.969 433 V CB 1.543 33.421 31.823 0.092 0.000 0.995 433 V HN 1.081 nan 8.190 nan 0.000 0.471 434 A N 3.854 126.756 122.820 0.137 0.000 2.445 434 A HA 0.637 5.413 4.320 0.761 0.000 0.242 434 A C 0.742 178.358 177.584 0.053 0.000 1.075 434 A CA 0.274 52.381 52.037 0.117 0.000 0.777 434 A CB 0.089 19.120 19.000 0.052 0.000 1.013 434 A HN 1.417 nan 8.150 nan 0.000 0.493 435 A N 1.354 124.070 122.820 -0.172 0.000 2.507 435 A HA 0.318 5.094 4.320 0.761 0.000 0.235 435 A C 0.650 178.002 177.584 -0.386 0.000 1.070 435 A CA 0.211 51.811 52.037 -0.728 0.000 0.768 435 A CB -0.103 18.453 19.000 -0.740 0.000 1.011 435 A HN 0.928 nan 8.150 nan 0.000 0.502 436 E N 1.124 121.059 120.200 -0.441 0.000 2.480 436 E HA 0.248 5.055 4.350 0.761 0.000 0.258 436 E C 0.509 177.027 176.600 -0.137 0.000 0.984 436 E CA 0.203 56.455 56.400 -0.246 0.000 0.930 436 E CB 0.295 29.821 29.700 -0.290 0.000 0.936 436 E HN 0.706 nan 8.360 nan 0.000 0.466 437 G N 3.954 112.716 108.800 -0.064 0.000 2.353 437 G HA2 0.059 4.476 3.960 0.761 0.000 0.284 437 G HA3 0.059 4.476 3.960 0.761 0.000 0.284 437 G C 0.330 175.245 174.900 0.026 0.000 1.172 437 G CA -0.498 44.594 45.100 -0.014 0.000 0.854 437 G HN 0.643 nan 8.290 nan 0.000 0.485 438 E N 1.345 121.587 120.200 0.069 0.000 2.385 438 E HA 0.130 4.937 4.350 0.761 0.000 0.194 438 E C 0.707 177.305 176.600 -0.004 0.000 1.013 438 E CA 0.437 56.911 56.400 0.124 0.000 0.866 438 E CB 0.398 30.292 29.700 0.323 0.000 0.832 438 E HN 0.420 nan 8.360 nan 0.000 0.500 439 L N 0.379 121.553 121.223 -0.081 0.000 2.479 439 L HA 0.386 5.183 4.340 0.761 0.000 0.255 439 L C -0.622 176.203 176.870 -0.075 0.000 1.026 439 L CA -1.001 53.755 54.840 -0.141 0.000 0.842 439 L CB 1.820 43.686 42.059 -0.323 0.000 1.444 439 L HN -0.267 nan 8.230 nan 0.000 0.409 440 N N 0.967 119.633 118.700 -0.057 0.000 2.446 440 N HA 0.515 5.712 4.740 0.761 0.000 0.265 440 N C -1.221 174.259 175.510 -0.050 0.000 0.975 440 N CA -0.236 52.790 53.050 -0.040 0.000 0.928 440 N CB 2.400 40.880 38.487 -0.012 0.000 1.160 440 N HN 0.153 nan 8.380 nan 0.000 0.495 441 V N 0.982 120.843 119.914 -0.089 0.000 2.495 441 V HA 0.774 5.351 4.120 0.761 0.000 0.298 441 V C -0.201 175.769 176.094 -0.206 0.000 1.031 441 V CA -0.931 61.295 62.300 -0.123 0.000 0.871 441 V CB 1.613 33.357 31.823 -0.131 0.000 0.988 441 V HN 0.722 nan 8.190 nan 0.000 0.432 442 A N 5.685 128.373 122.820 -0.220 0.000 2.318 442 A HA 0.844 5.621 4.320 0.761 0.000 0.317 442 A C -0.710 176.656 177.584 -0.363 0.000 1.159 442 A CA -0.525 51.324 52.037 -0.312 0.000 0.799 442 A CB 0.676 19.525 19.000 -0.252 0.000 1.194 442 A HN 0.783 nan 8.150 nan 0.000 0.479 443 I N 2.710 122.958 120.570 -0.537 0.000 2.352 443 I HA 0.220 4.847 4.170 0.761 0.000 0.290 443 I C -0.422 175.494 176.117 -0.335 0.000 1.036 443 I CA -0.369 60.660 61.300 -0.451 0.000 1.336 443 I CB 1.260 38.889 38.000 -0.618 0.000 1.407 443 I HN 0.579 nan 8.210 nan 0.000 0.497 444 L N 8.726 129.788 121.223 -0.269 0.000 2.287 444 L HA 0.543 5.340 4.340 0.761 0.000 0.287 444 L C -0.540 176.083 176.870 -0.413 0.000 1.022 444 L CA 0.206 54.828 54.840 -0.363 0.000 0.814 444 L CB 0.675 42.554 42.059 -0.300 0.000 1.217 444 L HN 0.808 nan 8.230 nan 0.000 0.420 445 N N 0.970 119.324 118.700 -0.576 0.000 3.243 445 N HA 0.343 5.540 4.740 0.761 0.000 0.280 445 N C -0.019 175.193 175.510 -0.496 0.000 1.545 445 N CA -0.276 52.532 53.050 -0.404 0.000 0.854 445 N CB 0.579 39.057 38.487 -0.015 0.000 1.612 445 N HN 0.175 nan 8.380 nan 0.000 0.577 446 S N -1.346 114.257 115.700 -0.161 0.000 2.423 446 S HA -0.026 4.901 4.470 0.761 0.000 0.231 446 S C 0.635 175.026 174.600 -0.348 0.000 1.014 446 S CA 1.049 59.113 58.200 -0.227 0.000 0.965 446 S CB -0.502 62.382 63.200 -0.528 0.000 0.785 446 S HN 0.590 nan 8.310 nan 0.000 0.495 447 W N 1.175 122.380 121.300 -0.159 0.000 2.574 447 W HA 0.365 5.512 4.660 0.811 0.000 0.282 447 W C 1.776 178.210 176.519 -0.141 0.000 1.197 447 W CA 0.478 57.735 57.345 -0.146 0.000 1.376 447 W CB -0.656 28.699 29.460 -0.174 0.000 1.091 447 W HN 0.463 nan 8.180 nan 0.000 0.569 448 G N 1.041 109.881 108.800 0.068 0.000 2.528 448 G HA2 -0.464 3.953 3.960 0.761 0.000 0.262 448 G HA3 -0.464 3.953 3.960 0.761 0.000 0.262 448 G C 0.900 175.797 174.900 -0.005 0.000 1.200 448 G CA 0.696 45.797 45.100 0.000 0.000 0.951 448 G HN 0.200 nan 8.290 nan 0.000 0.566 449 K N 0.555 120.954 120.400 -0.003 0.000 2.103 449 K HA -0.139 4.637 4.320 0.761 0.000 0.207 449 K C 2.836 179.364 176.600 -0.120 0.000 1.048 449 K CA 2.506 58.766 56.287 -0.044 0.000 0.930 449 K CB -0.366 32.163 32.500 0.049 0.000 0.716 449 K HN 0.680 nan 8.250 nan 0.000 0.444 450 M N -0.857 118.730 119.600 -0.021 0.000 2.346 450 M HA -0.079 4.858 4.480 0.761 0.000 0.263 450 M C 0.711 176.903 176.300 -0.180 0.000 1.064 450 M CA 1.421 56.718 55.300 -0.005 0.000 1.083 450 M CB 0.026 32.656 32.600 0.051 0.000 1.399 450 M HN -0.112 nan 8.290 nan 0.000 0.435 451 R N 1.600 121.901 120.500 -0.331 0.000 2.791 451 R HA 0.392 5.189 4.340 0.761 0.000 0.357 451 R C -0.547 175.242 176.300 -0.851 0.000 1.173 451 R CA -0.101 55.667 56.100 -0.553 0.000 1.060 451 R CB 0.095 30.012 30.300 -0.639 0.000 1.406 451 R HN 0.304 nan 8.270 nan 0.000 0.580 452 S N 0.453 115.456 115.700 -1.161 0.000 2.544 452 S HA -0.058 4.869 4.470 0.761 0.000 0.290 452 S C 0.141 173.912 174.600 -1.383 0.000 1.276 452 S CA 0.002 57.056 58.200 -1.910 0.000 1.075 452 S CB 0.068 62.222 63.200 -1.744 0.000 0.849 452 S HN 0.579 nan 8.310 nan 0.000 0.494 453 W N 0.684 121.101 121.300 -1.472 0.000 3.520 453 W HA -0.274 4.794 4.660 0.681 0.000 0.305 453 W C 0.716 177.002 176.519 -0.387 0.000 1.150 453 W CA 0.145 57.141 57.345 -0.581 0.000 0.656 453 W CB -2.053 27.226 29.460 -0.301 0.000 2.198 453 W HN 0.611 nan 8.180 nan 0.000 1.417 454 M N -0.656 118.683 119.600 -0.434 0.000 2.347 454 M HA 0.367 5.304 4.480 0.761 0.000 0.302 454 M C 1.240 177.197 176.300 -0.572 0.000 1.051 454 M CA 0.274 55.321 55.300 -0.422 0.000 0.988 454 M CB 0.300 32.450 32.600 -0.750 0.000 1.475 454 M HN 0.099 nan 8.290 nan 0.000 0.530 455 A N -0.052 122.413 122.820 -0.592 0.000 2.332 455 A HA 0.502 5.279 4.320 0.761 0.000 0.258 455 A C 0.019 177.068 177.584 -0.891 0.000 1.087 455 A CA -0.144 51.219 52.037 -1.124 0.000 0.802 455 A CB -0.200 17.926 19.000 -1.457 0.000 1.042 455 A HN 0.545 nan 8.150 nan 0.000 0.489 456 F N -0.905 118.247 119.950 -1.330 0.000 3.074 456 F HA -0.176 4.805 4.527 0.756 0.000 0.289 456 F C 0.603 176.607 175.800 0.340 0.000 0.863 456 F CA 1.161 58.849 58.000 -0.519 0.000 1.121 456 F CB -2.561 36.341 39.000 -0.163 0.000 1.169 456 F HN 0.521 nan 8.300 nan 0.000 0.570 457 T N -1.008 113.861 114.554 0.525 0.000 2.893 457 T HA 0.735 5.542 4.350 0.761 0.000 0.291 457 T C 0.652 175.823 174.700 0.787 0.000 1.028 457 T CA -0.325 62.130 62.100 0.592 0.000 0.995 457 T CB 2.946 72.159 68.868 0.576 0.000 1.051 457 T HN -0.144 nan 8.240 nan 0.000 0.470 458 V N 0.406 120.595 119.914 0.458 0.000 3.001 458 V HA 0.576 5.153 4.120 0.761 0.000 0.228 458 V C 0.809 176.989 176.094 0.143 0.000 1.204 458 V CA 0.245 62.750 62.300 0.340 0.000 1.247 458 V CB -0.147 31.779 31.823 0.170 0.000 1.093 458 V HN 0.946 nan 8.190 nan 0.000 0.504 459 A N -0.863 121.963 122.820 0.010 0.000 2.337 459 A HA 0.539 5.315 4.320 0.761 0.000 0.331 459 A C -0.307 177.105 177.584 -0.288 0.000 1.137 459 A CA -0.417 51.538 52.037 -0.136 0.000 0.807 459 A CB 0.289 19.231 19.000 -0.098 0.000 1.250 459 A HN 0.502 nan 8.150 nan 0.000 0.468 460 H N 1.491 120.140 119.070 -0.702 0.000 3.107 460 H HA 0.189 5.193 4.556 0.746 0.000 0.301 460 H C 1.174 176.192 175.328 -0.516 0.000 0.981 460 H CA 1.481 56.987 56.048 -0.904 0.000 1.443 460 H CB 0.288 29.147 29.762 -1.505 0.000 1.479 460 H HN 1.441 nan 8.280 nan 0.000 0.564 461 A N 4.739 127.115 122.820 -0.740 0.000 2.832 461 A HA -0.199 4.577 4.320 0.761 0.000 0.280 461 A C 0.108 177.479 177.584 -0.355 0.000 1.464 461 A CA 1.015 52.739 52.037 -0.521 0.000 0.804 461 A CB -1.907 16.797 19.000 -0.494 0.000 1.020 461 A HN 0.680 nan 8.150 nan 0.000 0.563 462 L N 0.523 121.528 121.223 -0.362 0.000 2.529 462 L HA 0.314 5.111 4.340 0.761 0.000 0.246 462 L C -2.037 174.685 176.870 -0.248 0.000 1.394 462 L CA -1.563 53.130 54.840 -0.245 0.000 0.906 462 L CB 1.297 43.255 42.059 -0.169 0.000 1.170 462 L HN 0.275 nan 8.230 nan 0.000 0.501 463 P HA 0.218 nan 4.420 nan 0.000 0.272 463 P C -1.083 176.180 177.300 -0.061 0.000 1.223 463 P CA -0.133 62.836 63.100 -0.219 0.000 0.784 463 P CB 1.269 32.841 31.700 -0.213 0.000 0.923 464 N N -0.033 118.684 118.700 0.028 0.000 3.229 464 N HA 0.192 5.388 4.740 0.761 0.000 0.315 464 N C 0.795 176.368 175.510 0.105 0.000 1.520 464 N CA -0.956 52.099 53.050 0.008 0.000 0.769 464 N CB 0.530 39.009 38.487 -0.013 0.000 1.766 464 N HN 0.246 nan 8.380 nan 0.000 0.618 465 K N -0.786 119.644 120.400 0.049 0.000 2.074 465 K HA -0.209 4.567 4.320 0.761 0.000 0.209 465 K C 1.011 177.777 176.600 0.276 0.000 1.048 465 K CA 1.914 58.287 56.287 0.144 0.000 0.926 465 K CB -0.073 32.464 32.500 0.061 0.000 0.713 465 K HN 0.518 nan 8.250 nan 0.000 0.444 466 Q N -0.762 119.134 119.800 0.159 0.000 2.378 466 Q HA -0.038 4.759 4.340 0.761 0.000 0.205 466 Q C 1.705 177.837 176.000 0.219 0.000 0.954 466 Q CA 1.569 57.452 55.803 0.132 0.000 0.901 466 Q CB 0.521 29.259 28.738 0.000 0.000 0.981 466 Q HN 0.596 nan 8.270 nan 0.000 0.483 467 T N -3.644 111.075 114.554 0.275 0.000 2.978 467 T HA -0.025 4.782 4.350 0.761 0.000 0.248 467 T C 1.709 176.596 174.700 0.311 0.000 1.018 467 T CA 0.132 62.482 62.100 0.416 0.000 1.026 467 T CB -0.533 68.596 68.868 0.434 0.000 1.032 467 T HN 0.381 nan 8.240 nan 0.000 0.485 468 Y N 2.345 122.704 120.300 0.098 0.000 2.333 468 Y HA 0.113 5.116 4.550 0.754 0.000 0.290 468 Y C 2.087 177.980 175.900 -0.011 0.000 1.144 468 Y CA 0.864 59.010 58.100 0.076 0.000 1.228 468 Y CB -0.724 37.760 38.460 0.040 0.000 0.985 468 Y HN 0.177 nan 8.280 nan 0.000 0.542 469 S N -0.300 114.873 115.700 -0.879 0.000 2.481 469 S HA -0.070 4.856 4.470 0.761 0.000 0.231 469 S C 0.799 174.889 174.600 -0.851 0.000 0.996 469 S CA 1.178 58.801 58.200 -0.961 0.000 0.942 469 S CB -0.388 62.191 63.200 -1.035 0.000 0.768 469 S HN 0.622 nan 8.310 nan 0.000 0.520 470 Y N -1.658 118.428 120.300 -0.356 0.000 2.609 470 Y HA 0.282 5.284 4.550 0.752 0.000 0.281 470 Y C 1.919 177.405 175.900 -0.689 0.000 1.132 470 Y CA -0.896 56.741 58.100 -0.771 0.000 1.264 470 Y CB -0.980 36.691 38.460 -1.315 0.000 1.325 470 Y HN 0.181 nan 8.280 nan 0.000 0.514 471 Y N 1.248 121.430 120.300 -0.195 0.000 2.241 471 Y HA -0.204 4.737 4.550 0.652 0.000 0.286 471 Y C 2.397 178.308 175.900 0.017 0.000 1.166 471 Y CA 1.576 59.702 58.100 0.044 0.000 1.203 471 Y CB -0.616 37.931 38.460 0.145 0.000 0.977 471 Y HN 0.137 nan 8.280 nan 0.000 0.529 472 G N 0.032 108.863 108.800 0.051 0.000 2.462 472 G HA2 -0.255 4.162 3.960 0.761 0.000 0.220 472 G HA3 -0.255 4.162 3.960 0.761 0.000 0.220 472 G C 1.673 176.575 174.900 0.003 0.000 1.121 472 G CA 1.232 46.369 45.100 0.062 0.000 0.758 472 G HN 0.523 nan 8.290 nan 0.000 0.559 473 I N -0.240 120.288 120.570 -0.070 0.000 2.252 473 I HA -0.102 4.525 4.170 0.761 0.000 0.245 473 I C 2.489 178.605 176.117 -0.001 0.000 1.102 473 I CA 0.383 61.660 61.300 -0.038 0.000 1.385 473 I CB -0.149 37.816 38.000 -0.059 0.000 1.064 473 I HN 0.077 nan 8.210 nan 0.000 0.414 474 L N 0.461 121.668 121.223 -0.027 0.000 2.027 474 L HA -0.182 4.615 4.340 0.761 0.000 0.206 474 L C 2.509 179.366 176.870 -0.022 0.000 1.074 474 L CA 1.730 56.603 54.840 0.056 0.000 0.745 474 L CB -1.076 40.969 42.059 -0.023 0.000 0.898 474 L HN 0.182 nan 8.230 nan 0.000 0.433 475 E N -0.585 119.437 120.200 -0.297 0.000 2.085 475 E HA -0.171 4.636 4.350 0.761 0.000 0.194 475 E C 2.293 178.680 176.600 -0.355 0.000 0.994 475 E CA 1.590 57.719 56.400 -0.451 0.000 0.801 475 E CB -0.099 29.214 29.700 -0.645 0.000 0.743 475 E HN 0.339 nan 8.360 nan 0.000 0.453 476 S N -0.220 115.459 115.700 -0.036 0.000 2.359 476 S HA -0.121 4.806 4.470 0.761 0.000 0.224 476 S C 1.859 176.515 174.600 0.094 0.000 1.035 476 S CA 1.268 59.567 58.200 0.164 0.000 1.018 476 S CB -0.266 63.043 63.200 0.182 0.000 0.876 476 S HN 0.276 nan 8.310 nan 0.000 0.448 477 L N 1.610 122.895 121.223 0.102 0.000 2.240 477 L HA -0.040 4.757 4.340 0.761 0.000 0.211 477 L C 2.652 179.638 176.870 0.193 0.000 1.106 477 L CA 0.958 55.894 54.840 0.160 0.000 0.793 477 L CB -0.655 41.515 42.059 0.186 0.000 0.927 477 L HN 0.411 nan 8.230 nan 0.000 0.446 478 S N -0.123 115.623 115.700 0.078 0.000 2.387 478 S HA -0.166 4.761 4.470 0.761 0.000 0.230 478 S C 1.683 176.159 174.600 -0.205 0.000 1.035 478 S CA 1.397 59.419 58.200 -0.297 0.000 1.014 478 S CB -0.702 62.211 63.200 -0.478 0.000 0.836 478 S HN 0.438 nan 8.310 nan 0.000 0.466 479 G N 0.026 108.759 108.800 -0.113 0.000 3.519 479 G HA2 0.450 4.867 3.960 0.761 0.000 0.269 479 G HA3 0.450 4.867 3.960 0.761 0.000 0.269 479 G C -0.018 174.870 174.900 -0.020 0.000 1.028 479 G CA -0.533 44.517 45.100 -0.084 0.000 0.809 479 G HN 0.469 nan 8.290 nan 0.000 0.521 480 M N 1.487 121.102 119.600 0.025 0.000 2.250 480 M HA 0.298 5.234 4.480 0.761 0.000 0.344 480 M C 1.257 177.585 176.300 0.047 0.000 1.150 480 M CA -0.715 54.619 55.300 0.057 0.000 1.147 480 M CB 0.827 33.481 32.600 0.091 0.000 1.498 480 M HN 0.212 nan 8.290 nan 0.000 0.461 481 R N 2.923 123.459 120.500 0.060 0.000 4.054 481 R HA 0.233 5.030 4.340 0.761 0.000 0.227 481 R C -0.676 175.667 176.300 0.071 0.000 1.902 481 R CA -0.351 55.777 56.100 0.047 0.000 1.590 481 R CB -1.421 28.912 30.300 0.056 0.000 1.245 481 R HN 0.449 nan 8.270 nan 0.000 0.647 482 V N -2.863 117.081 119.914 0.050 0.000 3.141 482 V HA 0.493 5.069 4.120 0.761 0.000 0.312 482 V C -0.923 175.181 176.094 0.017 0.000 1.157 482 V CA -1.479 60.832 62.300 0.019 0.000 1.041 482 V CB 2.233 34.050 31.823 -0.011 0.000 1.071 482 V HN 0.170 nan 8.190 nan 0.000 0.441 483 N N 1.185 119.885 118.700 -0.001 0.000 2.434 483 N HA 0.560 5.757 4.740 0.761 0.000 0.272 483 N C -0.783 174.717 175.510 -0.016 0.000 1.040 483 N CA -0.150 52.907 53.050 0.012 0.000 0.956 483 N CB 1.760 40.250 38.487 0.005 0.000 1.108 483 N HN 0.650 nan 8.380 nan 0.000 0.481 484 V N 3.064 122.988 119.914 0.016 0.000 2.459 484 V HA 0.530 5.107 4.120 0.761 0.000 0.295 484 V C 0.356 176.349 176.094 -0.169 0.000 1.029 484 V CA -0.790 61.438 62.300 -0.121 0.000 0.874 484 V CB 1.444 33.220 31.823 -0.078 0.000 0.985 484 V HN 0.698 nan 8.190 nan 0.000 0.438 485 R N 3.132 123.421 120.500 -0.353 0.000 2.867 485 R HA 0.758 5.555 4.340 0.761 0.000 0.268 485 R C -1.896 174.017 176.300 -0.645 0.000 1.014 485 R CA -0.757 55.169 56.100 -0.289 0.000 0.946 485 R CB 1.846 32.068 30.300 -0.131 0.000 1.208 485 R HN 0.378 nan 8.270 nan 0.000 0.477 486 F N 1.925 121.703 119.950 -0.287 0.000 2.467 486 F HA 0.534 5.548 4.527 0.811 0.000 0.336 486 F C 0.238 175.898 175.800 -0.234 0.000 1.123 486 F CA -0.883 56.928 58.000 -0.315 0.000 0.964 486 F CB 1.878 40.639 39.000 -0.398 0.000 1.136 486 F HN 0.469 nan 8.300 nan 0.000 0.447 487 I N -0.381 120.109 120.570 -0.134 0.000 3.002 487 I HA 0.855 5.481 4.170 0.761 0.000 0.310 487 I C -0.642 175.336 176.117 -0.231 0.000 1.087 487 I CA -0.902 60.304 61.300 -0.156 0.000 1.017 487 I CB 2.368 40.250 38.000 -0.196 0.000 1.226 487 I HN 0.492 nan 8.210 nan 0.000 0.443 488 S N 1.838 117.405 115.700 -0.222 0.000 2.568 488 S HA 0.526 5.452 4.470 0.761 0.000 0.302 488 S C 0.458 174.860 174.600 -0.330 0.000 1.082 488 S CA -0.632 57.391 58.200 -0.295 0.000 1.009 488 S CB 1.328 64.447 63.200 -0.136 0.000 1.069 488 S HN 0.599 nan 8.310 nan 0.000 0.500 489 F N 1.326 121.161 119.950 -0.192 0.000 2.115 489 F HA -0.126 4.859 4.527 0.763 0.000 0.300 489 F C 2.128 177.805 175.800 -0.204 0.000 1.092 489 F CA 1.644 59.493 58.000 -0.251 0.000 1.245 489 F CB -0.806 37.983 39.000 -0.351 0.000 0.995 489 F HN 0.533 nan 8.300 nan 0.000 0.481 490 D N 0.202 120.596 120.400 -0.009 0.000 2.123 490 D HA -0.166 4.930 4.640 0.761 0.000 0.196 490 D C 1.880 178.163 176.300 -0.028 0.000 0.992 490 D CA 1.528 55.506 54.000 -0.037 0.000 0.833 490 D CB -0.559 40.222 40.800 -0.032 0.000 0.954 490 D HN 0.247 nan 8.370 nan 0.000 0.455 491 D N 0.180 120.570 120.400 -0.016 0.000 2.104 491 D HA -0.110 4.987 4.640 0.761 0.000 0.194 491 D C 2.307 178.624 176.300 0.027 0.000 0.994 491 D CA 0.545 54.574 54.000 0.049 0.000 0.830 491 D CB -0.286 40.504 40.800 -0.016 0.000 0.959 491 D HN 0.080 nan 8.370 nan 0.000 0.452 492 V N 0.896 120.775 119.914 -0.058 0.000 2.358 492 V HA -0.180 4.397 4.120 0.761 0.000 0.246 492 V C 2.654 178.701 176.094 -0.078 0.000 1.047 492 V CA 1.002 63.254 62.300 -0.081 0.000 1.035 492 V CB -0.410 31.339 31.823 -0.124 0.000 0.658 492 V HN 0.169 nan 8.190 nan 0.000 0.452 493 L N 0.119 121.291 121.223 -0.086 0.000 2.046 493 L HA -0.155 4.642 4.340 0.761 0.000 0.208 493 L C 2.670 179.454 176.870 -0.143 0.000 1.077 493 L CA 1.648 56.424 54.840 -0.107 0.000 0.747 493 L CB -0.723 41.269 42.059 -0.112 0.000 0.896 493 L HN 0.358 nan 8.230 nan 0.000 0.432 494 A N -1.274 121.431 122.820 -0.193 0.000 1.929 494 A HA -0.143 4.634 4.320 0.761 0.000 0.216 494 A C 1.799 179.015 177.584 -0.613 0.000 1.176 494 A CA 1.236 53.023 52.037 -0.416 0.000 0.628 494 A CB -0.357 18.338 19.000 -0.508 0.000 0.816 494 A HN 0.512 nan 8.150 nan 0.000 0.444 495 H N -1.866 117.176 119.070 -0.047 0.000 3.233 495 H HA 0.339 5.351 4.556 0.760 0.000 0.263 495 H C 1.278 176.577 175.328 -0.048 0.000 1.168 495 H CA 0.302 56.325 56.048 -0.041 0.000 1.159 495 H CB 0.121 29.859 29.762 -0.040 0.000 1.593 495 H HN 0.639 nan 8.280 nan 0.000 0.580 496 G N 1.888 110.691 108.800 0.005 0.000 2.698 496 G HA2 -0.286 4.131 3.960 0.761 0.000 0.233 496 G HA3 -0.286 4.131 3.960 0.761 0.000 0.233 496 G C -0.317 174.541 174.900 -0.070 0.000 1.352 496 G CA -0.282 44.801 45.100 -0.028 0.000 0.879 496 G HN 0.215 nan 8.290 nan 0.000 0.567 497 I N 1.331 121.818 120.570 -0.139 0.000 2.315 497 I HA 0.210 4.837 4.170 0.761 0.000 0.291 497 I C -0.029 175.995 176.117 -0.155 0.000 1.006 497 I CA -0.608 60.519 61.300 -0.288 0.000 1.265 497 I CB 1.169 38.721 38.000 -0.747 0.000 1.387 497 I HN 0.340 nan 8.210 nan 0.000 0.475 498 D N 3.871 124.198 120.400 -0.120 0.000 2.525 498 D HA -0.051 5.045 4.640 0.761 0.000 0.235 498 D C 1.306 177.622 176.300 0.027 0.000 1.137 498 D CA 0.298 54.274 54.000 -0.039 0.000 0.868 498 D CB 0.930 41.701 40.800 -0.049 0.000 1.180 498 D HN 0.610 nan 8.370 nan 0.000 0.465 499 S N 1.050 116.791 115.700 0.068 0.000 2.515 499 S HA -0.158 4.769 4.470 0.761 0.000 0.231 499 S C 1.032 175.705 174.600 0.123 0.000 0.987 499 S CA 0.416 58.692 58.200 0.128 0.000 0.936 499 S CB 0.031 63.290 63.200 0.098 0.000 0.766 499 S HN 0.549 nan 8.310 nan 0.000 0.528 500 D N 1.093 121.541 120.400 0.080 0.000 2.340 500 D HA 0.091 5.188 4.640 0.761 0.000 0.220 500 D C 0.432 176.782 176.300 0.084 0.000 1.039 500 D CA -0.304 53.737 54.000 0.068 0.000 0.866 500 D CB -0.477 40.344 40.800 0.036 0.000 0.913 500 D HN 0.449 nan 8.370 nan 0.000 0.523 501 I N 1.705 122.347 120.570 0.120 0.000 2.496 501 I HA -0.021 4.606 4.170 0.761 0.000 0.285 501 I C 0.964 177.259 176.117 0.297 0.000 1.080 501 I CA -0.186 61.200 61.300 0.143 0.000 1.404 501 I CB 0.966 38.986 38.000 0.035 0.000 1.403 501 I HN -0.223 nan 8.210 nan 0.000 0.539 502 D N 4.852 125.364 120.400 0.186 0.000 2.259 502 D HA 0.087 5.184 4.640 0.761 0.000 0.216 502 D C 0.129 176.572 176.300 0.238 0.000 0.961 502 D CA 1.252 55.344 54.000 0.154 0.000 0.878 502 D CB 0.649 41.457 40.800 0.014 0.000 1.009 502 D HN 0.202 nan 8.370 nan 0.000 0.490 503 V N 1.476 121.525 119.914 0.225 0.000 2.808 503 V HA 0.361 4.938 4.120 0.761 0.000 0.308 503 V C -0.391 175.792 176.094 0.147 0.000 1.099 503 V CA -0.748 61.684 62.300 0.220 0.000 0.920 503 V CB 2.852 34.705 31.823 0.049 0.000 1.014 503 V HN -0.096 nan 8.190 nan 0.000 0.425 504 I N 4.833 125.519 120.570 0.193 0.000 2.377 504 I HA 0.524 5.150 4.170 0.761 0.000 0.293 504 I C -0.639 175.371 176.117 -0.178 0.000 0.987 504 I CA -0.425 60.864 61.300 -0.019 0.000 1.185 504 I CB 1.756 39.765 38.000 0.015 0.000 1.341 504 I HN 0.436 nan 8.210 nan 0.000 0.455 505 I N 6.271 126.698 120.570 -0.238 0.000 2.441 505 I HA 0.342 4.969 4.170 0.761 0.000 0.295 505 I C -0.247 175.708 176.117 -0.269 0.000 0.994 505 I CA -0.465 60.652 61.300 -0.306 0.000 1.144 505 I CB 1.573 39.449 38.000 -0.208 0.000 1.314 505 I HN 0.580 nan 8.210 nan 0.000 0.445 506 N N 4.513 123.015 118.700 -0.331 0.000 2.430 506 N HA 0.612 5.808 4.740 0.761 0.000 0.290 506 N C -1.246 174.229 175.510 -0.059 0.000 1.063 506 N CA -0.223 52.777 53.050 -0.083 0.000 0.883 506 N CB 2.431 40.995 38.487 0.130 0.000 1.465 506 N HN 0.829 nan 8.380 nan 0.000 0.493 507 G N 0.678 109.524 108.800 0.076 0.000 2.690 507 G HA2 0.798 5.215 3.960 0.761 0.000 0.293 507 G HA3 0.798 5.215 3.960 0.761 0.000 0.293 507 G C -0.586 174.337 174.900 0.038 0.000 1.399 507 G CA -0.214 44.922 45.100 0.059 0.000 0.890 507 G HN 0.800 nan 8.290 nan 0.000 0.485 508 G N 0.078 108.660 108.800 -0.363 0.000 2.353 508 G HA2 0.401 4.818 3.960 0.761 0.000 0.424 508 G HA3 0.401 4.818 3.960 0.761 0.000 0.424 508 G C -3.504 171.194 174.900 -0.336 0.000 1.320 508 G CA -0.487 44.146 45.100 -0.779 0.000 0.995 508 G HN 0.693 nan 8.290 nan 0.000 0.580 509 P HA 0.471 nan 4.420 nan 0.000 0.279 509 P C 0.520 177.939 177.300 0.198 0.000 1.252 509 P CA -0.537 62.689 63.100 0.210 0.000 0.811 509 P CB 1.299 33.204 31.700 0.342 0.000 1.035 510 V N 1.767 121.821 119.914 0.233 0.000 2.901 510 V HA -0.026 4.551 4.120 0.761 0.000 0.307 510 V C 0.257 176.450 176.094 0.166 0.000 1.084 510 V CA 0.953 63.360 62.300 0.178 0.000 1.184 510 V CB -0.964 31.042 31.823 0.305 0.000 0.941 510 V HN 0.681 nan 8.190 nan 0.000 0.493 511 D N 2.276 122.736 120.400 0.101 0.000 2.870 511 D HA -0.128 4.969 4.640 0.761 0.000 0.228 511 D C 0.228 176.582 176.300 0.091 0.000 1.147 511 D CA 1.464 55.511 54.000 0.078 0.000 0.757 511 D CB -1.389 39.468 40.800 0.095 0.000 1.091 511 D HN 1.131 nan 8.370 nan 0.000 0.429 512 T N -5.095 109.515 114.554 0.093 0.000 2.942 512 T HA 0.762 5.569 4.350 0.761 0.000 0.289 512 T C 1.506 176.120 174.700 -0.143 0.000 1.044 512 T CA -0.289 61.848 62.100 0.061 0.000 1.023 512 T CB 2.073 71.094 68.868 0.255 0.000 1.123 512 T HN -0.041 nan 8.240 nan 0.000 0.512 513 A N 0.268 122.841 122.820 -0.412 0.000 2.084 513 A HA 0.068 4.845 4.320 0.761 0.000 0.221 513 A C 1.590 178.835 177.584 -0.564 0.000 1.161 513 A CA 1.275 52.928 52.037 -0.640 0.000 0.653 513 A CB -1.133 17.331 19.000 -0.894 0.000 0.802 513 A HN 0.756 nan 8.150 nan 0.000 0.457 514 F N 0.276 120.165 119.950 -0.102 0.000 2.270 514 F HA -0.021 4.969 4.527 0.772 0.000 0.295 514 F C 2.809 178.636 175.800 0.044 0.000 1.087 514 F CA 1.469 59.371 58.000 -0.164 0.000 1.365 514 F CB -1.085 37.652 39.000 -0.439 0.000 1.056 514 F HN 0.323 nan 8.300 nan 0.000 0.506 515 T N -3.461 111.224 114.554 0.219 0.000 2.852 515 T HA 0.425 5.232 4.350 0.761 0.000 0.256 515 T C 1.952 176.943 174.700 0.486 0.000 1.038 515 T CA 1.149 63.423 62.100 0.290 0.000 1.141 515 T CB -0.189 68.755 68.868 0.127 0.000 0.869 515 T HN 0.379 nan 8.240 nan 0.000 0.439 516 G N 0.206 109.136 108.800 0.217 0.000 2.624 516 G HA2 0.349 4.766 3.960 0.761 0.000 0.190 516 G HA3 0.349 4.766 3.960 0.761 0.000 0.190 516 G C 0.986 175.758 174.900 -0.213 0.000 1.008 516 G CA 0.403 45.469 45.100 -0.056 0.000 0.731 516 G HN 1.531 nan 8.290 nan 0.000 0.478 517 G N 0.674 109.452 108.800 -0.036 0.000 2.512 517 G HA2 -0.228 4.189 3.960 0.761 0.000 0.254 517 G HA3 -0.228 4.189 3.960 0.761 0.000 0.254 517 G C 0.419 175.242 174.900 -0.127 0.000 1.199 517 G CA 0.865 45.919 45.100 -0.077 0.000 0.941 517 G HN 0.649 nan 8.290 nan 0.000 0.569 518 D N 0.034 120.325 120.400 -0.182 0.000 2.350 518 D HA 0.043 5.139 4.640 0.761 0.000 0.216 518 D C 2.382 178.478 176.300 -0.340 0.000 0.968 518 D CA 0.978 54.841 54.000 -0.228 0.000 0.894 518 D CB -0.018 40.664 40.800 -0.197 0.000 0.909 518 D HN 0.413 nan 8.370 nan 0.000 0.520 519 V N -0.621 119.013 119.914 -0.466 0.000 2.688 519 V HA -0.201 4.376 4.120 0.761 0.000 0.256 519 V C 1.286 176.959 176.094 -0.702 0.000 1.084 519 V CA 1.255 63.167 62.300 -0.647 0.000 1.103 519 V CB -0.471 30.787 31.823 -0.941 0.000 0.688 519 V HN 0.322 nan 8.190 nan 0.000 0.480 520 W N 0.183 121.205 121.300 -0.462 0.000 2.825 520 W HA -0.017 5.096 4.660 0.756 0.000 0.243 520 W C 2.329 178.632 176.519 -0.361 0.000 1.293 520 W CA 0.987 58.115 57.345 -0.362 0.000 1.403 520 W CB -0.302 28.981 29.460 -0.295 0.000 1.134 520 W HN 0.437 nan 8.180 nan 0.000 0.666 521 T N -3.093 111.247 114.554 -0.356 0.000 3.107 521 T HA 0.028 4.835 4.350 0.761 0.000 0.249 521 T C 0.653 175.087 174.700 -0.444 0.000 1.096 521 T CA -0.231 61.437 62.100 -0.720 0.000 1.012 521 T CB -0.306 67.776 68.868 -1.308 0.000 0.977 521 T HN -0.138 nan 8.240 nan 0.000 0.527 522 N N 3.311 121.822 118.700 -0.316 0.000 2.401 522 N HA 0.176 5.373 4.740 0.761 0.000 0.255 522 N C -1.439 173.990 175.510 -0.135 0.000 1.110 522 N CA -2.212 50.704 53.050 -0.223 0.000 0.949 522 N CB 1.731 40.063 38.487 -0.259 0.000 1.110 522 N HN 0.089 nan 8.380 nan 0.000 0.490 523 P HA -0.176 nan 4.420 nan 0.000 0.218 523 P C 1.021 178.308 177.300 -0.022 0.000 1.148 523 P CA 1.128 64.224 63.100 -0.007 0.000 0.822 523 P CB 0.463 32.176 31.700 0.022 0.000 0.784 524 K N -0.327 120.041 120.400 -0.053 0.000 2.148 524 K HA -0.131 4.646 4.320 0.761 0.000 0.204 524 K C 2.101 178.661 176.600 -0.066 0.000 1.050 524 K CA 0.681 56.937 56.287 -0.052 0.000 0.942 524 K CB -0.478 31.983 32.500 -0.065 0.000 0.724 524 K HN -0.024 nan 8.250 nan 0.000 0.446 525 L N 0.868 122.019 121.223 -0.120 0.000 2.027 525 L HA -0.123 4.674 4.340 0.761 0.000 0.206 525 L C 2.009 178.847 176.870 -0.054 0.000 1.074 525 L CA 1.375 56.119 54.840 -0.160 0.000 0.745 525 L CB -0.448 41.387 42.059 -0.374 0.000 0.898 525 L HN -0.045 nan 8.230 nan 0.000 0.433 526 V N 0.044 119.964 119.914 0.011 0.000 2.287 526 V HA -0.313 4.264 4.120 0.761 0.000 0.248 526 V C 2.512 178.655 176.094 0.082 0.000 1.053 526 V CA 2.134 64.499 62.300 0.109 0.000 1.027 526 V CB -0.683 31.214 31.823 0.124 0.000 0.646 526 V HN 0.521 nan 8.190 nan 0.000 0.447 527 E N -0.169 120.066 120.200 0.058 0.000 2.058 527 E HA -0.218 4.589 4.350 0.761 0.000 0.194 527 E C 2.268 178.915 176.600 0.079 0.000 0.997 527 E CA 1.969 58.408 56.400 0.065 0.000 0.801 527 E CB -0.425 29.300 29.700 0.042 0.000 0.746 527 E HN 0.581 nan 8.360 nan 0.000 0.450 528 T N 0.823 115.408 114.554 0.052 0.000 2.652 528 T HA -0.151 4.656 4.350 0.761 0.000 0.267 528 T C 2.131 176.903 174.700 0.120 0.000 1.039 528 T CA 1.466 63.602 62.100 0.060 0.000 1.153 528 T CB -0.305 68.563 68.868 -0.001 0.000 0.863 528 T HN -0.024 nan 8.240 nan 0.000 0.428 529 V N 1.294 121.270 119.914 0.104 0.000 2.295 529 V HA -0.172 4.405 4.120 0.761 0.000 0.246 529 V C 2.619 178.835 176.094 0.203 0.000 1.049 529 V CA 1.649 64.044 62.300 0.159 0.000 1.024 529 V CB -0.622 31.256 31.823 0.091 0.000 0.648 529 V HN 0.344 nan 8.190 nan 0.000 0.447 530 R N 0.113 120.696 120.500 0.140 0.000 2.083 530 R HA -0.147 4.650 4.340 0.761 0.000 0.237 530 R C 2.477 178.954 176.300 0.294 0.000 1.137 530 R CA 1.621 57.846 56.100 0.207 0.000 0.951 530 R CB -0.674 29.757 30.300 0.219 0.000 0.851 530 R HN 0.538 nan 8.270 nan 0.000 0.434 531 A N 0.122 123.074 122.820 0.221 0.000 1.902 531 A HA -0.216 4.561 4.320 0.761 0.000 0.217 531 A C 1.890 179.607 177.584 0.220 0.000 1.181 531 A CA 1.308 53.456 52.037 0.184 0.000 0.623 531 A CB -0.847 18.238 19.000 0.141 0.000 0.818 531 A HN 0.626 nan 8.150 nan 0.000 0.443 532 W N 0.566 121.912 121.300 0.077 0.000 2.355 532 W HA -0.167 4.951 4.660 0.763 0.000 0.309 532 W C 1.997 178.575 176.519 0.098 0.000 1.206 532 W CA 2.272 59.660 57.345 0.073 0.000 1.284 532 W CB -0.357 29.141 29.460 0.063 0.000 1.145 532 W HN 0.098 nan 8.180 nan 0.000 0.502 533 V N 1.070 121.079 119.914 0.159 0.000 2.343 533 V HA -0.291 4.286 4.120 0.761 0.000 0.247 533 V C 2.392 178.522 176.094 0.060 0.000 1.051 533 V CA 2.292 64.580 62.300 -0.020 0.000 1.036 533 V CB -1.046 30.849 31.823 0.120 0.000 0.654 533 V HN 0.078 nan 8.190 nan 0.000 0.451 534 R N 1.075 121.701 120.500 0.209 0.000 2.117 534 R HA -0.134 4.663 4.340 0.761 0.000 0.243 534 R C 2.102 178.382 176.300 -0.033 0.000 1.143 534 R CA 1.658 57.809 56.100 0.085 0.000 0.968 534 R CB -1.036 29.282 30.300 0.030 0.000 0.863 534 R HN 0.524 nan 8.270 nan 0.000 0.444 535 G N -2.518 106.241 108.800 -0.068 0.000 2.848 535 G HA2 0.189 4.606 3.960 0.761 0.000 0.208 535 G HA3 0.189 4.606 3.960 0.761 0.000 0.208 535 G C 0.783 175.568 174.900 -0.191 0.000 1.152 535 G CA 0.519 45.551 45.100 -0.112 0.000 0.789 535 G HN 0.578 nan 8.290 nan 0.000 0.531 536 G N -1.734 106.916 108.800 -0.251 0.000 2.318 536 G HA2 0.050 4.467 3.960 0.761 0.000 0.172 536 G HA3 0.050 4.467 3.960 0.761 0.000 0.172 536 G C 0.751 175.392 174.900 -0.430 0.000 1.002 536 G CA 0.102 45.046 45.100 -0.261 0.000 0.697 536 G HN 0.865 nan 8.290 nan 0.000 0.483 537 G N 0.025 108.298 108.800 -0.879 0.000 2.684 537 G HA2 0.680 5.097 3.960 0.761 0.000 0.255 537 G HA3 0.680 5.097 3.960 0.761 0.000 0.255 537 G C 0.145 174.656 174.900 -0.649 0.000 1.219 537 G CA 0.599 44.775 45.100 -1.540 0.000 0.901 537 G HN 1.579 nan 8.290 nan 0.000 0.548 538 A N -0.663 121.963 122.820 -0.323 0.000 2.374 538 A HA 0.673 5.450 4.320 0.761 0.000 0.305 538 A C -1.571 176.240 177.584 0.377 0.000 1.053 538 A CA -0.566 51.517 52.037 0.076 0.000 0.726 538 A CB 1.385 20.414 19.000 0.048 0.000 1.229 538 A HN 0.913 nan 8.150 nan 0.000 0.431 539 F N 3.057 123.098 119.950 0.151 0.000 2.499 539 F HA 0.607 5.593 4.527 0.764 0.000 0.333 539 F C -1.112 174.732 175.800 0.074 0.000 1.138 539 F CA -0.531 57.563 58.000 0.156 0.000 0.945 539 F CB 1.806 40.885 39.000 0.132 0.000 1.181 539 F HN 0.356 nan 8.300 nan 0.000 0.435 540 V N 5.578 125.231 119.914 -0.435 0.000 2.384 540 V HA 0.685 5.262 4.120 0.761 0.000 0.287 540 V C 0.227 175.988 176.094 -0.556 0.000 1.020 540 V CA -0.575 61.538 62.300 -0.312 0.000 0.850 540 V CB 1.276 32.996 31.823 -0.171 0.000 0.987 540 V HN 0.929 nan 8.190 nan 0.000 0.436 541 G N 3.545 112.147 108.800 -0.331 0.000 2.416 541 G HA2 0.641 5.058 3.960 0.761 0.000 0.324 541 G HA3 0.641 5.058 3.960 0.761 0.000 0.324 541 G C -1.198 173.599 174.900 -0.170 0.000 1.194 541 G CA -0.464 44.478 45.100 -0.264 0.000 0.922 541 G HN 0.538 nan 8.290 nan 0.000 0.467 542 V N 2.310 122.135 119.914 -0.147 0.000 2.531 542 V HA 0.808 5.384 4.120 0.761 0.000 0.301 542 V C 1.051 177.181 176.094 0.060 0.000 1.034 542 V CA 0.753 62.978 62.300 -0.125 0.000 0.865 542 V CB 0.579 32.372 31.823 -0.049 0.000 0.995 542 V HN 1.672 nan 8.190 nan 0.000 0.424 543 G N 5.063 113.912 108.800 0.081 0.000 3.594 543 G HA2 -0.218 4.199 3.960 0.761 0.000 0.285 543 G HA3 -0.218 4.199 3.960 0.761 0.000 0.285 543 G C 0.129 175.209 174.900 0.299 0.000 1.551 543 G CA 0.397 45.698 45.100 0.335 0.000 1.061 543 G HN 0.708 nan 8.290 nan 0.000 0.624 544 E N 2.386 122.649 120.200 0.104 0.000 3.786 544 E HA 0.335 5.141 4.350 0.761 0.000 0.215 544 E C -2.696 173.638 176.600 -0.444 0.000 1.188 544 E CA -1.627 54.696 56.400 -0.130 0.000 1.248 544 E CB 2.145 32.028 29.700 0.304 0.000 1.260 544 E HN 0.429 nan 8.360 nan 0.000 0.426 545 P HA -0.083 nan 4.420 nan 0.000 0.268 545 P C 0.433 177.322 177.300 -0.685 0.000 1.205 545 P CA 0.436 63.270 63.100 -0.444 0.000 0.771 545 P CB 1.140 32.681 31.700 -0.265 0.000 0.858 546 S N 0.141 115.325 115.700 -0.860 0.000 3.445 546 S HA -0.192 4.734 4.470 0.761 0.000 0.319 546 S C 0.244 174.228 174.600 -1.027 0.000 1.209 546 S CA 0.909 58.003 58.200 -1.843 0.000 0.934 546 S CB -3.148 58.974 63.200 -1.796 0.000 0.999 546 S HN 0.799 nan 8.310 nan 0.000 0.582 547 S N 0.452 115.775 115.700 -0.629 0.000 2.565 547 S HA 0.758 5.685 4.470 0.761 0.000 0.276 547 S C -0.004 174.342 174.600 -0.425 0.000 1.326 547 S CA -0.196 57.651 58.200 -0.588 0.000 1.045 547 S CB 1.553 64.374 63.200 -0.631 0.000 0.918 547 S HN 1.997 nan 8.310 nan 0.000 0.505 548 A N 3.241 125.788 122.820 -0.454 0.000 2.466 548 A HA 0.704 5.481 4.320 0.761 0.000 0.284 548 A C -3.057 174.502 177.584 -0.042 0.000 1.049 548 A CA -1.529 50.409 52.037 -0.165 0.000 0.760 548 A CB 1.255 20.219 19.000 -0.061 0.000 1.274 548 A HN 0.656 nan 8.150 nan 0.000 0.412 549 P HA 0.434 nan 4.420 nan 0.000 0.279 549 P C 0.377 177.824 177.300 0.245 0.000 1.239 549 P CA 0.006 63.302 63.100 0.327 0.000 0.789 549 P CB 1.230 33.131 31.700 0.336 0.000 0.933 550 R N -0.495 120.155 120.500 0.250 0.000 3.621 550 R HA -0.257 4.540 4.340 0.761 0.000 0.410 550 R C 1.472 177.884 176.300 0.186 0.000 0.541 550 R CA 1.293 57.501 56.100 0.180 0.000 1.518 550 R CB -2.331 28.056 30.300 0.145 0.000 2.022 550 R HN 0.409 nan 8.270 nan 0.000 0.356 551 F N 2.288 122.275 119.950 0.062 0.000 2.126 551 F HA -0.070 4.914 4.527 0.763 0.000 0.299 551 F C 0.854 176.678 175.800 0.040 0.000 1.096 551 F CA 1.788 59.811 58.000 0.038 0.000 1.255 551 F CB 0.191 39.206 39.000 0.025 0.000 0.997 551 F HN 0.085 nan 8.300 nan 0.000 0.479 552 Q N -0.434 119.382 119.800 0.027 0.000 2.330 552 Q HA 0.187 4.983 4.340 0.761 0.000 0.269 552 Q C 0.878 176.891 176.000 0.021 0.000 1.022 552 Q CA -0.156 55.607 55.803 -0.067 0.000 0.796 552 Q CB 1.887 30.610 28.738 -0.025 0.000 1.271 552 Q HN 0.003 nan 8.270 nan 0.000 0.450 553 T N 1.178 115.725 114.554 -0.013 0.000 2.720 553 T HA -0.143 4.664 4.350 0.761 0.000 0.268 553 T C 1.379 176.093 174.700 0.025 0.000 1.037 553 T CA 1.779 63.886 62.100 0.012 0.000 1.144 553 T CB -0.022 68.842 68.868 -0.008 0.000 0.864 553 T HN 0.834 nan 8.240 nan 0.000 0.444 554 G N 0.010 108.820 108.800 0.016 0.000 3.189 554 G HA2 0.276 4.693 3.960 0.761 0.000 0.225 554 G HA3 0.276 4.693 3.960 0.761 0.000 0.225 554 G C 0.370 175.301 174.900 0.051 0.000 1.159 554 G CA -0.336 44.780 45.100 0.026 0.000 0.763 554 G HN 0.167 nan 8.290 nan 0.000 0.549 555 R N -0.658 119.885 120.500 0.070 0.000 2.549 555 R HA 0.436 5.232 4.340 0.761 0.000 0.291 555 R C -0.893 175.500 176.300 0.156 0.000 1.164 555 R CA -1.145 55.003 56.100 0.079 0.000 0.973 555 R CB 0.314 30.648 30.300 0.057 0.000 1.210 555 R HN -0.025 nan 8.270 nan 0.000 0.422 556 F N 3.881 123.802 119.950 -0.048 0.000 2.298 556 F HA 0.416 5.400 4.527 0.761 0.000 0.282 556 F C -0.041 175.833 175.800 0.124 0.000 1.045 556 F CA 0.271 58.272 58.000 0.001 0.000 1.280 556 F CB 0.277 39.217 39.000 -0.101 0.000 1.114 556 F HN 0.356 nan 8.300 nan 0.000 0.546 557 F N 3.228 123.115 119.950 -0.106 0.000 2.494 557 F HA 0.158 5.144 4.527 0.765 0.000 0.369 557 F C 1.523 177.176 175.800 -0.244 0.000 1.098 557 F CA -0.806 57.029 58.000 -0.274 0.000 1.154 557 F CB -0.017 38.856 39.000 -0.211 0.000 1.103 557 F HN 0.180 nan 8.300 nan 0.000 0.549 558 Q N 2.768 122.484 119.800 -0.141 0.000 2.291 558 Q HA -0.019 4.778 4.340 0.761 0.000 0.205 558 Q C 1.458 177.394 176.000 -0.108 0.000 0.970 558 Q CA 0.995 56.754 55.803 -0.073 0.000 0.876 558 Q CB 0.118 28.852 28.738 -0.008 0.000 0.935 558 Q HN 0.653 nan 8.270 nan 0.000 0.455 559 L N 0.363 121.434 121.223 -0.254 0.000 2.848 559 L HA 0.270 5.066 4.340 0.761 0.000 0.240 559 L C 1.618 178.389 176.870 -0.165 0.000 1.232 559 L CA -0.233 54.440 54.840 -0.279 0.000 1.031 559 L CB -0.243 41.479 42.059 -0.561 0.000 1.338 559 L HN 0.000 nan 8.230 nan 0.000 0.509 560 A N 1.074 123.863 122.820 -0.052 0.000 1.997 560 A HA -0.270 4.507 4.320 0.761 0.000 0.221 560 A C 2.051 179.602 177.584 -0.055 0.000 1.172 560 A CA 2.246 54.267 52.037 -0.026 0.000 0.645 560 A CB -0.318 18.641 19.000 -0.067 0.000 0.813 560 A HN 0.665 nan 8.150 nan 0.000 0.454 561 D N -0.319 120.056 120.400 -0.042 0.000 2.219 561 D HA -0.084 5.013 4.640 0.761 0.000 0.205 561 D C 1.780 178.077 176.300 -0.006 0.000 0.970 561 D CA 1.450 55.470 54.000 0.033 0.000 0.851 561 D CB -0.700 40.179 40.800 0.132 0.000 0.943 561 D HN 0.281 nan 8.370 nan 0.000 0.488 562 V N 1.952 121.701 119.914 -0.276 0.000 2.323 562 V HA -0.143 4.434 4.120 0.761 0.000 0.244 562 V C 2.615 178.608 176.094 -0.170 0.000 1.041 562 V CA 1.594 63.544 62.300 -0.584 0.000 1.025 562 V CB -0.474 30.895 31.823 -0.755 0.000 0.656 562 V HN 0.356 nan 8.190 nan 0.000 0.451 563 I N -1.726 118.814 120.570 -0.049 0.000 3.419 563 I HA 0.396 5.022 4.170 0.761 0.000 0.286 563 I C 1.533 177.673 176.117 0.038 0.000 1.268 563 I CA 1.022 62.362 61.300 0.066 0.000 1.414 563 I CB -0.203 37.893 38.000 0.160 0.000 1.074 563 I HN 0.411 nan 8.210 nan 0.000 0.457 564 G N 1.550 110.344 108.800 -0.010 0.000 2.159 564 G HA2 -0.202 4.215 3.960 0.761 0.000 0.256 564 G HA3 -0.202 4.215 3.960 0.761 0.000 0.256 564 G C 0.035 174.848 174.900 -0.145 0.000 0.977 564 G CA 0.184 45.259 45.100 -0.041 0.000 0.652 564 G HN 0.381 nan 8.290 nan 0.000 0.531 565 V N 0.032 119.832 119.914 -0.190 0.000 2.841 565 V HA 0.786 5.362 4.120 0.761 0.000 0.310 565 V C -0.631 175.197 176.094 -0.443 0.000 1.090 565 V CA -0.633 61.434 62.300 -0.389 0.000 0.930 565 V CB 2.150 33.688 31.823 -0.475 0.000 1.014 565 V HN 0.282 nan 8.190 nan 0.000 0.425 566 D N 1.420 121.292 120.400 -0.879 0.000 2.566 566 D HA 0.422 5.519 4.640 0.761 0.000 0.254 566 D C -1.133 174.417 176.300 -1.250 0.000 1.090 566 D CA -0.523 52.817 54.000 -1.100 0.000 1.034 566 D CB 2.681 43.007 40.800 -0.791 0.000 1.434 566 D HN 0.660 nan 8.370 nan 0.000 0.509 567 E N 1.092 120.577 120.200 -1.191 0.000 2.145 567 E HA 0.244 5.051 4.350 0.761 0.000 0.270 567 E C -0.988 175.405 176.600 -0.344 0.000 0.906 567 E CA -0.641 55.367 56.400 -0.652 0.000 0.761 567 E CB 1.176 30.538 29.700 -0.563 0.000 1.116 567 E HN 0.268 nan 8.360 nan 0.000 0.408 568 E N 3.581 123.707 120.200 -0.124 0.000 2.366 568 E HA -0.016 4.791 4.350 0.761 0.000 0.266 568 E C -0.240 176.076 176.600 -0.474 0.000 1.015 568 E CA 0.221 56.510 56.400 -0.184 0.000 0.906 568 E CB 0.544 30.112 29.700 -0.219 0.000 0.979 568 E HN 0.372 nan 8.360 nan 0.000 0.443 569 R N 4.114 124.364 120.500 -0.417 0.000 2.613 569 R HA 0.095 4.891 4.340 0.761 0.000 0.361 569 R C -0.367 175.844 176.300 -0.148 0.000 1.072 569 R CA -0.402 55.465 56.100 -0.388 0.000 1.089 569 R CB -0.608 29.481 30.300 -0.352 0.000 1.343 569 R HN 0.792 nan 8.270 nan 0.000 0.571 570 Y N -0.719 119.521 120.300 -0.099 0.000 4.798 570 Y HA -0.297 4.709 4.550 0.760 0.000 0.237 570 Y C 1.344 177.206 175.900 -0.063 0.000 1.017 570 Y CA 0.826 58.881 58.100 -0.075 0.000 2.010 570 Y CB -1.661 36.761 38.460 -0.064 0.000 1.582 570 Y HN 0.125 nan 8.280 nan 0.000 0.621 571 Q N -0.298 119.508 119.800 0.011 0.000 2.402 571 Q HA 0.136 4.932 4.340 0.761 0.000 0.206 571 Q C 1.528 177.511 176.000 -0.029 0.000 0.919 571 Q CA 1.430 57.234 55.803 0.002 0.000 0.923 571 Q CB 0.185 28.924 28.738 0.001 0.000 1.048 571 Q HN 0.705 nan 8.270 nan 0.000 0.515 572 T N -2.848 111.663 114.554 -0.071 0.000 3.296 572 T HA 0.364 5.171 4.350 0.761 0.000 0.285 572 T C 1.401 176.020 174.700 -0.135 0.000 1.014 572 T CA -0.243 61.798 62.100 -0.098 0.000 0.920 572 T CB -0.311 68.493 68.868 -0.108 0.000 1.143 572 T HN -0.005 nan 8.240 nan 0.000 0.522 573 L N 0.598 121.762 121.223 -0.098 0.000 2.261 573 L HA -0.052 4.745 4.340 0.761 0.000 0.216 573 L C 2.676 179.493 176.870 -0.089 0.000 1.114 573 L CA 0.866 55.649 54.840 -0.094 0.000 0.777 573 L CB -0.686 41.355 42.059 -0.029 0.000 0.910 573 L HN 0.336 nan 8.230 nan 0.000 0.440 574 S N -0.777 114.882 115.700 -0.069 0.000 2.447 574 S HA -0.028 4.898 4.470 0.761 0.000 0.233 574 S C 0.885 175.441 174.600 -0.073 0.000 1.006 574 S CA 0.289 58.455 58.200 -0.057 0.000 0.957 574 S CB -0.030 63.148 63.200 -0.038 0.000 0.773 574 S HN 0.092 nan 8.310 nan 0.000 0.507 575 V N 3.511 123.361 119.914 -0.106 0.000 2.408 575 V HA 0.150 4.727 4.120 0.761 0.000 0.267 575 V C 0.115 176.101 176.094 -0.179 0.000 1.047 575 V CA -0.762 61.468 62.300 -0.118 0.000 0.937 575 V CB 0.751 32.494 31.823 -0.134 0.000 0.999 575 V HN 0.267 nan 8.190 nan 0.000 0.472 576 D N 5.304 125.615 120.400 -0.150 0.000 2.417 576 D HA 0.106 5.203 4.640 0.761 0.000 0.250 576 D C -0.049 175.994 176.300 -0.428 0.000 1.166 576 D CA -0.005 53.812 54.000 -0.306 0.000 0.881 576 D CB 0.994 41.627 40.800 -0.278 0.000 1.164 576 D HN 0.338 nan 8.370 nan 0.000 0.467 577 K N 2.779 122.899 120.400 -0.467 0.000 2.183 577 K HA 0.290 5.067 4.320 0.761 0.000 0.274 577 K C -0.591 175.828 176.600 -0.302 0.000 1.009 577 K CA -0.616 55.487 56.287 -0.306 0.000 0.888 577 K CB 0.728 33.119 32.500 -0.181 0.000 1.078 577 K HN 0.329 nan 8.250 nan 0.000 0.459 578 Y N 1.919 122.308 120.300 0.149 0.000 2.328 578 Y HA 0.331 5.338 4.550 0.761 0.000 0.333 578 Y C -0.421 175.605 175.900 0.210 0.000 0.958 578 Y CA -0.899 57.308 58.100 0.178 0.000 1.167 578 Y CB 0.951 39.452 38.460 0.069 0.000 1.151 578 Y HN 0.344 nan 8.280 nan 0.000 0.470 579 F N 5.892 125.898 119.950 0.094 0.000 2.405 579 F HA 0.433 5.416 4.527 0.761 0.000 0.355 579 F C -1.921 173.861 175.800 -0.030 0.000 1.121 579 F CA -3.161 54.859 58.000 0.034 0.000 1.112 579 F CB 0.858 39.871 39.000 0.020 0.000 1.126 579 F HN 0.298 nan 8.300 nan 0.000 0.481 580 P HA 0.203 nan 4.420 nan 0.000 0.274 580 P C -2.744 174.496 177.300 -0.101 0.000 1.246 580 P CA -1.576 61.516 63.100 -0.014 0.000 0.795 580 P CB 0.189 31.888 31.700 -0.000 0.000 1.006 581 P HA 0.039 nan 4.420 nan 0.000 0.268 581 P C -0.170 177.174 177.300 0.073 0.000 1.205 581 P CA 0.116 63.037 63.100 -0.298 0.000 0.771 581 P CB 0.195 31.818 31.700 -0.128 0.000 0.858 582 V N 4.182 124.285 119.914 0.315 0.000 2.740 582 V HA -0.013 4.564 4.120 0.761 0.000 0.303 582 V C 0.465 176.761 176.094 0.337 0.000 1.054 582 V CA 0.203 62.718 62.300 0.358 0.000 1.106 582 V CB 0.987 33.102 31.823 0.486 0.000 0.957 582 V HN 0.215 nan 8.190 nan 0.000 0.486 583 V N 8.184 128.206 119.914 0.181 0.000 2.288 583 V HA 0.220 4.797 4.120 0.761 0.000 0.266 583 V C -1.070 175.078 176.094 0.089 0.000 1.048 583 V CA -0.866 61.528 62.300 0.155 0.000 0.842 583 V CB 1.037 32.937 31.823 0.129 0.000 1.064 583 V HN 0.857 nan 8.190 nan 0.000 0.472 584 P HA -0.003 nan 4.420 nan 0.000 0.222 584 P C 0.031 177.333 177.300 0.004 0.000 1.153 584 P CA 0.770 63.842 63.100 -0.045 0.000 0.798 584 P CB 0.472 32.101 31.700 -0.118 0.000 0.796 585 D N 0.656 121.095 120.400 0.065 0.000 2.412 585 D HA 0.231 5.328 4.640 0.761 0.000 0.224 585 D C -0.074 176.294 176.300 0.114 0.000 1.093 585 D CA 0.184 54.220 54.000 0.059 0.000 0.850 585 D CB 0.983 41.815 40.800 0.053 0.000 1.046 585 D HN 0.239 nan 8.370 nan 0.000 0.507 586 H N 1.458 120.506 119.070 -0.037 0.000 3.046 586 H HA 0.007 5.020 4.556 0.761 0.000 0.363 586 H C 0.119 175.418 175.328 -0.048 0.000 1.203 586 H CA -0.671 55.356 56.048 -0.035 0.000 1.169 586 H CB 1.581 31.294 29.762 -0.080 0.000 1.851 586 H HN 0.220 nan 8.280 nan 0.000 0.546 587 F N 3.627 123.336 119.950 -0.401 0.000 2.082 587 F HA -0.284 4.699 4.527 0.760 0.000 0.298 587 F C 1.861 177.579 175.800 -0.136 0.000 1.091 587 F CA 2.329 60.173 58.000 -0.260 0.000 1.230 587 F CB -0.189 38.658 39.000 -0.255 0.000 0.983 587 F HN 0.585 nan 8.300 nan 0.000 0.485 588 I N -0.308 120.395 120.570 0.221 0.000 2.286 588 I HA -0.262 4.365 4.170 0.761 0.000 0.248 588 I C 1.847 177.902 176.117 -0.104 0.000 1.115 588 I CA 1.838 63.164 61.300 0.045 0.000 1.392 588 I CB -0.589 37.420 38.000 0.016 0.000 1.065 588 I HN 0.309 nan 8.210 nan 0.000 0.418 589 T N -1.969 112.541 114.554 -0.073 0.000 3.186 589 T HA 0.398 5.204 4.350 0.761 0.000 0.257 589 T C 1.505 176.123 174.700 -0.137 0.000 1.029 589 T CA 0.287 62.326 62.100 -0.102 0.000 0.916 589 T CB 0.404 69.231 68.868 -0.069 0.000 1.041 589 T HN 0.224 nan 8.240 nan 0.000 0.562 590 A N 2.137 124.833 122.820 -0.208 0.000 1.972 590 A HA -0.058 4.719 4.320 0.761 0.000 0.219 590 A C 1.943 179.421 177.584 -0.177 0.000 1.169 590 A CA 1.219 53.132 52.037 -0.206 0.000 0.635 590 A CB -0.366 18.450 19.000 -0.308 0.000 0.810 590 A HN 0.444 nan 8.150 nan 0.000 0.446 591 D N -0.509 119.777 120.400 -0.190 0.000 2.339 591 D HA 0.159 5.256 4.640 0.761 0.000 0.217 591 D C 0.006 176.234 176.300 -0.121 0.000 1.050 591 D CA 0.089 54.004 54.000 -0.141 0.000 0.856 591 D CB 0.237 40.956 40.800 -0.135 0.000 0.922 591 D HN 0.141 nan 8.370 nan 0.000 0.518 592 V N 2.928 122.767 119.914 -0.125 0.000 2.521 592 V HA 0.081 4.658 4.120 0.761 0.000 0.286 592 V C -1.839 174.193 176.094 -0.102 0.000 1.034 592 V CA -1.143 61.084 62.300 -0.120 0.000 1.045 592 V CB 0.560 32.308 31.823 -0.125 0.000 0.974 592 V HN -0.053 nan 8.190 nan 0.000 0.480 593 P HA 0.120 nan 4.420 nan 0.000 0.268 593 P C -0.384 176.871 177.300 -0.075 0.000 1.204 593 P CA -0.034 63.019 63.100 -0.078 0.000 0.768 593 P CB 0.444 32.100 31.700 -0.073 0.000 0.842 594 V N 3.445 123.322 119.914 -0.061 0.000 2.686 594 V HA 0.132 4.708 4.120 0.761 0.000 0.295 594 V C 0.410 176.477 176.094 -0.045 0.000 1.055 594 V CA 0.397 62.664 62.300 -0.055 0.000 1.050 594 V CB 1.086 32.885 31.823 -0.042 0.000 0.984 594 V HN 0.557 nan 8.190 nan 0.000 0.482 595 D N 5.501 125.874 120.400 -0.044 0.000 2.454 595 D HA 0.401 5.498 4.640 0.761 0.000 0.247 595 D C -1.882 174.411 176.300 -0.013 0.000 1.129 595 D CA -2.023 51.960 54.000 -0.029 0.000 0.877 595 D CB 2.311 43.092 40.800 -0.033 0.000 1.082 595 D HN 0.146 nan 8.370 nan 0.000 0.537 596 P HA -0.060 nan 4.420 nan 0.000 0.215 596 P C 1.175 178.491 177.300 0.026 0.000 1.157 596 P CA 1.393 64.501 63.100 0.013 0.000 0.863 596 P CB 0.265 31.971 31.700 0.009 0.000 0.787 597 A N 0.103 122.934 122.820 0.019 0.000 1.892 597 A HA -0.200 4.577 4.320 0.761 0.000 0.218 597 A C 2.344 179.952 177.584 0.041 0.000 1.188 597 A CA 2.481 54.533 52.037 0.025 0.000 0.631 597 A CB -1.661 17.349 19.000 0.016 0.000 0.822 597 A HN 0.209 nan 8.150 nan 0.000 0.447 598 A N -0.559 122.282 122.820 0.034 0.000 1.873 598 A HA -0.134 4.643 4.320 0.761 0.000 0.215 598 A C 2.250 179.895 177.584 0.101 0.000 1.186 598 A CA 1.787 53.854 52.037 0.049 0.000 0.616 598 A CB -0.493 18.513 19.000 0.011 0.000 0.823 598 A HN 0.569 nan 8.150 nan 0.000 0.442 599 R N -0.081 120.466 120.500 0.079 0.000 2.081 599 R HA -0.172 4.624 4.340 0.761 0.000 0.235 599 R C 1.999 178.454 176.300 0.259 0.000 1.131 599 R CA 1.876 58.075 56.100 0.165 0.000 0.960 599 R CB -0.294 30.058 30.300 0.085 0.000 0.856 599 R HN 0.668 nan 8.270 nan 0.000 0.436 600 E N -0.137 120.148 120.200 0.141 0.000 2.051 600 E HA -0.195 4.611 4.350 0.761 0.000 0.192 600 E C 1.967 178.618 176.600 0.085 0.000 0.991 600 E CA 1.444 57.904 56.400 0.100 0.000 0.799 600 E CB -0.157 29.577 29.700 0.057 0.000 0.748 600 E HN 0.497 nan 8.360 nan 0.000 0.449 601 A N 0.627 123.501 122.820 0.090 0.000 1.933 601 A HA -0.191 4.585 4.320 0.761 0.000 0.218 601 A C 1.897 179.524 177.584 0.072 0.000 1.175 601 A CA 1.347 53.421 52.037 0.063 0.000 0.628 601 A CB -0.985 18.052 19.000 0.061 0.000 0.814 601 A HN 0.562 nan 8.150 nan 0.000 0.444 602 W N 0.940 122.209 121.300 -0.053 0.000 2.355 602 W HA -0.181 4.937 4.660 0.763 0.000 0.309 602 W C 1.870 178.315 176.519 -0.123 0.000 1.206 602 W CA 2.005 59.301 57.345 -0.082 0.000 1.284 602 W CB -0.224 29.204 29.460 -0.054 0.000 1.145 602 W HN 0.452 nan 8.180 nan 0.000 0.502 603 E N -0.380 119.735 120.200 -0.141 0.000 2.077 603 E HA -0.283 4.524 4.350 0.761 0.000 0.193 603 E C 2.288 178.681 176.600 -0.346 0.000 0.989 603 E CA 1.608 57.771 56.400 -0.395 0.000 0.800 603 E CB -0.306 29.345 29.700 -0.082 0.000 0.746 603 E HN 0.360 nan 8.360 nan 0.000 0.452 604 Q N -0.365 119.322 119.800 -0.189 0.000 2.123 604 Q HA -0.047 4.750 4.340 0.761 0.000 0.199 604 Q C 2.171 178.065 176.000 -0.176 0.000 0.966 604 Q CA 1.210 56.926 55.803 -0.145 0.000 0.845 604 Q CB -0.069 28.625 28.738 -0.074 0.000 0.907 604 Q HN 0.237 nan 8.270 nan 0.000 0.439 605 A N 0.435 123.135 122.820 -0.199 0.000 1.968 605 A HA 0.228 5.005 4.320 0.761 0.000 0.217 605 A C 1.238 178.668 177.584 -0.257 0.000 1.169 605 A CA 1.419 53.349 52.037 -0.178 0.000 0.638 605 A CB -0.588 18.334 19.000 -0.129 0.000 0.812 605 A HN 0.445 nan 8.150 nan 0.000 0.446 606 G N -2.077 106.451 108.800 -0.454 0.000 2.642 606 G HA2 -0.176 4.241 3.960 0.761 0.000 0.231 606 G HA3 -0.176 4.241 3.960 0.761 0.000 0.231 606 G C -0.434 174.110 174.900 -0.593 0.000 1.338 606 G CA 0.054 44.809 45.100 -0.574 0.000 0.883 606 G HN 0.618 nan 8.290 nan 0.000 0.570 607 Y N 0.635 120.849 120.300 -0.144 0.000 2.409 607 Y HA 0.650 5.656 4.550 0.761 0.000 0.339 607 Y C 1.340 177.206 175.900 -0.057 0.000 1.033 607 Y CA -0.883 57.166 58.100 -0.085 0.000 1.094 607 Y CB 1.230 39.663 38.460 -0.045 0.000 1.210 607 Y HN 0.600 nan 8.280 nan 0.000 0.456 608 R N 3.081 123.651 120.500 0.117 0.000 2.538 608 R HA 0.161 4.958 4.340 0.761 0.000 0.282 608 R C -0.321 176.020 176.300 0.068 0.000 1.009 608 R CA -0.111 56.016 56.100 0.045 0.000 1.063 608 R CB -0.043 30.252 30.300 -0.009 0.000 0.945 608 R HN 0.657 nan 8.270 nan 0.000 0.414 609 I N 0.991 121.590 120.570 0.049 0.000 2.638 609 I HA 0.296 4.923 4.170 0.761 0.000 0.286 609 I C -2.066 174.095 176.117 0.073 0.000 1.088 609 I CA -2.652 58.685 61.300 0.061 0.000 1.397 609 I CB 0.253 38.277 38.000 0.039 0.000 1.414 609 I HN 0.313 nan 8.210 nan 0.000 0.566 610 P HA 0.114 nan 4.420 nan 0.000 0.261 610 P C -0.972 176.382 177.300 0.090 0.000 1.173 610 P CA 0.187 63.393 63.100 0.176 0.000 0.760 610 P CB 0.433 32.268 31.700 0.225 0.000 0.783 611 L N 2.610 123.866 121.223 0.054 0.000 2.431 611 L HA 0.453 5.250 4.340 0.761 0.000 0.266 611 L C -0.137 176.737 176.870 0.006 0.000 0.978 611 L CA -0.629 54.224 54.840 0.021 0.000 0.822 611 L CB 2.252 44.310 42.059 -0.002 0.000 1.310 611 L HN 0.180 nan 8.230 nan 0.000 0.409 612 S N 3.103 118.809 115.700 0.009 0.000 2.673 612 S HA 0.363 5.289 4.470 0.761 0.000 0.308 612 S C 1.294 175.880 174.600 -0.022 0.000 1.246 612 S CA 1.162 59.363 58.200 0.001 0.000 1.077 612 S CB -0.504 62.697 63.200 0.002 0.000 0.814 612 S HN 1.825 nan 8.310 nan 0.000 0.503 613 G N 3.200 111.978 108.800 -0.036 0.000 2.184 613 G HA2 -0.262 4.155 3.960 0.761 0.000 0.264 613 G HA3 -0.262 4.155 3.960 0.761 0.000 0.264 613 G C 0.607 175.457 174.900 -0.084 0.000 0.975 613 G CA 0.313 45.380 45.100 -0.056 0.000 0.642 613 G HN 0.879 nan 8.290 nan 0.000 0.536 614 C N 0.356 119.597 119.300 -0.099 0.000 3.491 614 C HA 0.624 5.541 4.460 0.761 0.000 0.298 614 C C 2.191 177.063 174.990 -0.197 0.000 1.424 614 C CA 0.291 59.236 59.018 -0.122 0.000 1.772 614 C CB -0.677 27.014 27.740 -0.083 0.000 2.447 614 C HN 1.870 nan 8.230 nan 0.000 0.670 615 G N 1.462 110.082 108.800 -0.300 0.000 2.602 615 G HA2 0.201 4.618 3.960 0.761 0.000 0.306 615 G HA3 0.201 4.618 3.960 0.761 0.000 0.306 615 G C 0.103 174.813 174.900 -0.316 0.000 1.301 615 G CA 0.324 45.044 45.100 -0.633 0.000 0.974 615 G HN 1.380 nan 8.290 nan 0.000 0.547 616 G N -4.083 104.575 108.800 -0.236 0.000 2.506 616 G HA2 0.695 5.112 3.960 0.761 0.000 0.292 616 G HA3 0.695 5.112 3.960 0.761 0.000 0.292 616 G C 0.954 175.928 174.900 0.123 0.000 1.425 616 G CA 1.146 46.284 45.100 0.063 0.000 0.788 616 G HN 2.610 nan 8.290 nan 0.000 0.490 617 G N -1.337 107.525 108.800 0.104 0.000 2.199 617 G HA2 -0.189 4.228 3.960 0.761 0.000 0.254 617 G HA3 -0.189 4.228 3.960 0.761 0.000 0.254 617 G C 0.343 175.273 174.900 0.051 0.000 0.982 617 G CA 1.032 46.173 45.100 0.069 0.000 0.632 617 G HN 0.958 nan 8.290 nan 0.000 0.529 618 Q N 1.426 121.174 119.800 -0.087 0.000 2.327 618 Q HA 0.545 5.342 4.340 0.761 0.000 0.254 618 Q C 0.790 176.882 176.000 0.153 0.000 0.952 618 Q CA 0.450 56.141 55.803 -0.186 0.000 0.884 618 Q CB 1.209 29.631 28.738 -0.526 0.000 1.224 618 Q HN 0.702 nan 8.270 nan 0.000 0.422 619 S N 1.489 117.358 115.700 0.282 0.000 2.549 619 S HA 0.182 5.109 4.470 0.761 0.000 0.279 619 S C 0.769 175.400 174.600 0.051 0.000 1.321 619 S CA -0.509 57.798 58.200 0.179 0.000 1.054 619 S CB 0.382 63.756 63.200 0.290 0.000 0.899 619 S HN 0.640 nan 8.310 nan 0.000 0.497 620 I N 1.164 121.711 120.570 -0.038 0.000 2.439 620 I HA -0.004 4.623 4.170 0.761 0.000 0.251 620 I C 1.207 177.328 176.117 0.007 0.000 1.139 620 I CA 1.024 62.306 61.300 -0.030 0.000 1.438 620 I CB -0.086 37.876 38.000 -0.063 0.000 1.085 620 I HN 0.592 nan 8.210 nan 0.000 0.427 621 K N 0.998 121.419 120.400 0.036 0.000 2.267 621 K HA 0.392 5.169 4.320 0.761 0.000 0.246 621 K C -2.506 174.230 176.600 0.227 0.000 0.954 621 K CA -1.886 54.464 56.287 0.105 0.000 0.824 621 K CB 1.795 34.348 32.500 0.088 0.000 1.167 621 K HN -0.243 nan 8.250 nan 0.000 0.431 622 P HA 0.050 nan 4.420 nan 0.000 0.285 622 P C 0.068 177.419 177.300 0.085 0.000 1.259 622 P CA -0.428 62.755 63.100 0.138 0.000 0.794 622 P CB 1.033 32.782 31.700 0.081 0.000 0.940 623 L N 3.733 124.901 121.223 -0.092 0.000 2.023 623 L HA 0.123 4.920 4.340 0.761 0.000 0.205 623 L C 1.386 178.164 176.870 -0.154 0.000 1.073 623 L CA 2.759 57.396 54.840 -0.339 0.000 0.745 623 L CB -1.458 40.137 42.059 -0.774 0.000 0.900 623 L HN 0.839 nan 8.230 nan 0.000 0.435 624 G N -1.810 106.945 108.800 -0.076 0.000 2.598 624 G HA2 0.121 4.538 3.960 0.761 0.000 0.244 624 G HA3 0.121 4.538 3.960 0.761 0.000 0.244 624 G C 0.870 175.735 174.900 -0.058 0.000 1.302 624 G CA -0.015 45.071 45.100 -0.023 0.000 0.903 624 G HN 1.457 nan 8.290 nan 0.000 0.575 625 G N -2.124 106.635 108.800 -0.068 0.000 2.213 625 G HA2 -0.036 4.381 3.960 0.761 0.000 0.236 625 G HA3 -0.036 4.381 3.960 0.761 0.000 0.236 625 G C 0.259 175.067 174.900 -0.154 0.000 0.991 625 G CA 0.852 45.891 45.100 -0.101 0.000 0.629 625 G HN 1.707 nan 8.290 nan 0.000 0.517 626 I N 1.027 121.477 120.570 -0.200 0.000 2.499 626 I HA 0.349 4.976 4.170 0.761 0.000 0.288 626 I C -1.142 174.673 176.117 -0.504 0.000 1.048 626 I CA -0.961 60.076 61.300 -0.438 0.000 1.062 626 I CB 2.086 39.639 38.000 -0.745 0.000 1.238 626 I HN 0.018 nan 8.210 nan 0.000 0.426 627 D N 5.527 125.668 120.400 -0.431 0.000 2.352 627 D HA 0.199 5.296 4.640 0.761 0.000 0.245 627 D C -0.019 176.042 176.300 -0.397 0.000 1.224 627 D CA 0.151 53.983 54.000 -0.279 0.000 0.879 627 D CB 0.471 41.185 40.800 -0.143 0.000 1.057 627 D HN 0.277 nan 8.370 nan 0.000 0.491 628 F N 2.401 122.309 119.950 -0.070 0.000 2.693 628 F HA 0.296 5.278 4.527 0.759 0.000 0.303 628 F C 1.963 177.662 175.800 -0.167 0.000 1.097 628 F CA 0.286 58.215 58.000 -0.119 0.000 1.330 628 F CB 0.058 39.002 39.000 -0.094 0.000 1.067 628 F HN 0.611 nan 8.300 nan 0.000 0.565 629 G N 0.321 109.125 108.800 0.006 0.000 2.583 629 G HA2 -0.279 4.138 3.960 0.761 0.000 0.292 629 G HA3 -0.279 4.138 3.960 0.761 0.000 0.292 629 G C 0.025 174.910 174.900 -0.026 0.000 1.203 629 G CA -0.374 44.671 45.100 -0.091 0.000 0.987 629 G HN 0.161 nan 8.290 nan 0.000 0.554 630 E N 2.893 123.009 120.200 -0.140 0.000 2.376 630 E HA 0.292 5.099 4.350 0.761 0.000 0.266 630 E C -1.680 174.933 176.600 0.021 0.000 1.009 630 E CA -0.797 55.597 56.400 -0.010 0.000 0.902 630 E CB 0.918 30.609 29.700 -0.015 0.000 0.972 630 E HN 0.388 nan 8.360 nan 0.000 0.439 631 P HA 0.107 nan 4.420 nan 0.000 0.275 631 P C -0.473 176.896 177.300 0.115 0.000 1.228 631 P CA -0.342 62.809 63.100 0.085 0.000 0.786 631 P CB 0.803 32.556 31.700 0.088 0.000 0.927 632 V N 4.200 124.198 119.914 0.140 0.000 2.294 632 V HA 0.179 4.756 4.120 0.761 0.000 0.272 632 V C 0.729 176.907 176.094 0.140 0.000 1.027 632 V CA -0.654 61.762 62.300 0.193 0.000 0.823 632 V CB 0.529 32.543 31.823 0.318 0.000 1.030 632 V HN 0.414 nan 8.190 nan 0.000 0.457 633 L N 5.484 126.773 121.223 0.108 0.000 2.453 633 L HA 0.246 5.043 4.340 0.761 0.000 0.272 633 L C 1.002 177.883 176.870 0.018 0.000 1.182 633 L CA 0.047 54.931 54.840 0.073 0.000 0.858 633 L CB 0.071 42.185 42.059 0.091 0.000 1.120 633 L HN 0.786 nan 8.230 nan 0.000 0.474 634 N N -0.162 118.554 118.700 0.028 0.000 2.782 634 N HA -0.148 5.049 4.740 0.761 0.000 0.251 634 N C 0.180 175.710 175.510 0.035 0.000 1.101 634 N CA 1.112 54.166 53.050 0.005 0.000 0.764 634 N CB -1.687 36.714 38.487 -0.145 0.000 1.122 634 N HN 0.874 nan 8.380 nan 0.000 0.561 635 T N -0.616 113.948 114.554 0.015 0.000 2.940 635 T HA 0.361 5.167 4.350 0.761 0.000 0.309 635 T C 0.174 174.862 174.700 -0.020 0.000 1.056 635 T CA -0.164 61.868 62.100 -0.114 0.000 1.137 635 T CB 0.706 69.505 68.868 -0.114 0.000 0.976 635 T HN 0.350 nan 8.240 nan 0.000 0.547 636 Y N -0.217 119.922 120.300 -0.268 0.000 2.597 636 Y HA 0.730 5.737 4.550 0.762 0.000 0.340 636 Y C -3.217 172.397 175.900 -0.477 0.000 1.097 636 Y CA -3.498 54.358 58.100 -0.407 0.000 1.037 636 Y CB 0.794 39.103 38.460 -0.253 0.000 1.305 636 Y HN 0.437 nan 8.280 nan 0.000 0.463 637 P HA 0.050 nan 4.420 nan 0.000 0.276 637 P C 0.802 177.995 177.300 -0.178 0.000 1.230 637 P CA -0.246 62.628 63.100 -0.378 0.000 0.776 637 P CB 2.144 33.625 31.700 -0.364 0.000 0.888 638 V N 0.211 120.012 119.914 -0.189 0.000 2.970 638 V HA -0.034 4.542 4.120 0.761 0.000 0.260 638 V C 0.409 176.522 176.094 0.032 0.000 1.100 638 V CA 1.277 63.550 62.300 -0.047 0.000 1.122 638 V CB -1.641 30.131 31.823 -0.086 0.000 0.721 638 V HN 0.725 nan 8.190 nan 0.000 0.483 639 N N -1.641 117.061 118.700 0.003 0.000 3.020 639 N HA 0.249 5.445 4.740 0.761 0.000 0.248 639 N C -0.279 175.237 175.510 0.009 0.000 1.480 639 N CA -0.459 52.607 53.050 0.026 0.000 0.874 639 N CB 0.790 39.293 38.487 0.028 0.000 1.433 639 N HN 0.013 nan 8.380 nan 0.000 0.530 640 E N -0.989 119.225 120.200 0.022 0.000 2.502 640 E HA 0.134 4.941 4.350 0.761 0.000 0.194 640 E C -0.092 176.516 176.600 0.013 0.000 1.062 640 E CA 0.289 56.699 56.400 0.017 0.000 0.867 640 E CB -0.400 29.314 29.700 0.022 0.000 0.888 640 E HN 0.524 nan 8.360 nan 0.000 0.510 641 N N -0.292 118.419 118.700 0.017 0.000 2.336 641 N HA 0.016 5.213 4.740 0.761 0.000 0.189 641 N C -0.266 175.264 175.510 0.034 0.000 1.113 641 N CA -0.235 52.832 53.050 0.027 0.000 0.858 641 N CB 0.813 39.319 38.487 0.030 0.000 0.970 641 N HN -0.120 nan 8.380 nan 0.000 0.471 642 V N 1.506 121.430 119.914 0.016 0.000 2.740 642 V HA 0.009 4.586 4.120 0.761 0.000 0.303 642 V C 0.585 176.688 176.094 0.015 0.000 1.054 642 V CA 0.124 62.432 62.300 0.013 0.000 1.106 642 V CB 1.163 32.969 31.823 -0.030 0.000 0.957 642 V HN 0.152 nan 8.190 nan 0.000 0.486 643 T N 6.820 121.388 114.554 0.025 0.000 2.727 643 T HA 0.441 5.248 4.350 0.761 0.000 0.298 643 T C -0.106 174.577 174.700 -0.028 0.000 0.942 643 T CA -0.208 61.896 62.100 0.008 0.000 0.997 643 T CB 0.011 68.883 68.868 0.006 0.000 0.917 643 T HN 0.347 nan 8.240 nan 0.000 0.487 644 L N 4.620 125.840 121.223 -0.006 0.000 2.290 644 L HA 0.377 5.174 4.340 0.761 0.000 0.284 644 L C 1.037 177.904 176.870 -0.004 0.000 1.078 644 L CA -0.444 54.399 54.840 0.005 0.000 0.815 644 L CB 0.975 43.071 42.059 0.061 0.000 1.162 644 L HN 0.618 nan 8.230 nan 0.000 0.435 645 L N 2.332 123.528 121.223 -0.045 0.000 2.467 645 L HA 0.257 5.054 4.340 0.761 0.000 0.213 645 L C 0.438 177.295 176.870 -0.020 0.000 1.053 645 L CA 0.242 55.037 54.840 -0.074 0.000 0.847 645 L CB 0.117 42.083 42.059 -0.155 0.000 1.075 645 L HN 0.535 nan 8.230 nan 0.000 0.479 646 R N 0.518 121.017 120.500 -0.001 0.000 2.538 646 R HA 0.623 5.420 4.340 0.761 0.000 0.292 646 R C -1.076 175.237 176.300 0.022 0.000 1.008 646 R CA -0.246 55.863 56.100 0.016 0.000 0.896 646 R CB 1.859 32.197 30.300 0.063 0.000 1.187 646 R HN -0.031 nan 8.270 nan 0.000 0.440 647 A N 2.937 125.825 122.820 0.114 0.000 3.453 647 A HA 0.298 5.075 4.320 0.761 0.000 0.262 647 A C -0.815 176.886 177.584 0.195 0.000 1.026 647 A CA -0.691 51.464 52.037 0.198 0.000 0.938 647 A CB 0.243 19.460 19.000 0.361 0.000 1.246 647 A HN 0.446 nan 8.150 nan 0.000 0.546 648 D N -0.039 120.435 120.400 0.123 0.000 2.312 648 D HA 0.491 5.588 4.640 0.761 0.000 0.248 648 D C 1.249 177.600 176.300 0.084 0.000 1.086 648 D CA 1.085 55.152 54.000 0.112 0.000 0.948 648 D CB 1.333 42.189 40.800 0.094 0.000 1.162 648 D HN 0.913 nan 8.370 nan 0.000 0.446 649 G N 0.350 109.189 108.800 0.065 0.000 2.225 649 G HA2 -0.112 4.305 3.960 0.761 0.000 0.267 649 G HA3 -0.112 4.305 3.960 0.761 0.000 0.267 649 G C 0.976 175.882 174.900 0.010 0.000 1.024 649 G CA 0.643 45.766 45.100 0.039 0.000 0.784 649 G HN 1.245 nan 8.290 nan 0.000 0.507 650 G N -1.648 107.129 108.800 -0.038 0.000 2.143 650 G HA2 0.057 4.474 3.960 0.761 0.000 0.248 650 G HA3 0.057 4.474 3.960 0.761 0.000 0.248 650 G C 0.222 175.111 174.900 -0.018 0.000 0.991 650 G CA 1.526 46.537 45.100 -0.149 0.000 0.689 650 G HN 2.135 nan 8.290 nan 0.000 0.522 651 Q N -1.928 117.957 119.800 0.141 0.000 2.707 651 Q HA 0.728 5.525 4.340 0.761 0.000 0.307 651 Q C -1.329 174.846 176.000 0.292 0.000 0.934 651 Q CA -1.044 54.931 55.803 0.286 0.000 0.753 651 Q CB 1.797 30.629 28.738 0.156 0.000 1.478 651 Q HN 0.456 nan 8.270 nan 0.000 0.458 652 V N 1.668 121.700 119.914 0.197 0.000 2.398 652 V HA 0.156 4.733 4.120 0.761 0.000 0.286 652 V C -0.237 175.897 176.094 0.066 0.000 1.026 652 V CA -0.252 62.120 62.300 0.120 0.000 0.868 652 V CB 1.266 33.103 31.823 0.024 0.000 0.982 652 V HN 0.790 nan 8.190 nan 0.000 0.443 653 Q N 3.209 122.921 119.800 -0.147 0.000 2.423 653 Q HA 0.407 5.204 4.340 0.761 0.000 0.231 653 Q C -0.255 175.385 176.000 -0.599 0.000 0.894 653 Q CA 0.344 55.794 55.803 -0.587 0.000 0.938 653 Q CB 0.728 28.622 28.738 -1.407 0.000 1.079 653 Q HN 0.586 nan 8.270 nan 0.000 0.552 654 L N -0.275 120.776 121.223 -0.287 0.000 2.505 654 L HA 0.813 5.610 4.340 0.761 0.000 0.266 654 L C -2.039 174.815 176.870 -0.027 0.000 0.954 654 L CA -0.531 54.228 54.840 -0.134 0.000 0.852 654 L CB 1.928 43.961 42.059 -0.043 0.000 1.282 654 L HN -0.021 nan 8.230 nan 0.000 0.403 655 A N 2.263 125.095 122.820 0.020 0.000 2.612 655 A HA 0.854 5.631 4.320 0.761 0.000 0.293 655 A C -1.207 176.391 177.584 0.023 0.000 1.075 655 A CA -0.208 51.837 52.037 0.012 0.000 0.680 655 A CB 1.979 21.005 19.000 0.043 0.000 1.279 655 A HN 0.665 nan 8.150 nan 0.000 0.411 656 T N 0.110 114.667 114.554 0.005 0.000 2.912 656 T HA 0.651 5.458 4.350 0.761 0.000 0.299 656 T C -1.449 173.312 174.700 0.101 0.000 1.052 656 T CA -0.466 61.678 62.100 0.073 0.000 0.996 656 T CB 1.135 70.059 68.868 0.092 0.000 1.070 656 T HN 0.978 nan 8.240 nan 0.000 0.465 657 N N 2.632 121.411 118.700 0.131 0.000 2.336 657 N HA 0.403 5.599 4.740 0.761 0.000 0.290 657 N C -1.700 173.902 175.510 0.154 0.000 1.058 657 N CA -0.550 52.575 53.050 0.126 0.000 0.865 657 N CB 1.609 40.158 38.487 0.104 0.000 1.581 657 N HN 0.459 nan 8.380 nan 0.000 0.480 658 D N 1.616 122.106 120.400 0.149 0.000 2.350 658 D HA 0.132 5.229 4.640 0.761 0.000 0.249 658 D C -1.037 175.389 176.300 0.210 0.000 1.119 658 D CA 0.726 54.817 54.000 0.153 0.000 0.886 658 D CB 0.560 41.432 40.800 0.120 0.000 1.195 658 D HN 0.450 nan 8.370 nan 0.000 0.437 659 Y N 1.572 121.896 120.300 0.040 0.000 2.475 659 Y HA 0.399 5.407 4.550 0.763 0.000 0.343 659 Y C 0.720 176.623 175.900 0.005 0.000 1.068 659 Y CA 0.154 58.267 58.100 0.022 0.000 1.307 659 Y CB 0.582 39.057 38.460 0.025 0.000 1.097 659 Y HN 0.649 nan 8.280 nan 0.000 0.530 660 G N 4.179 112.888 108.800 -0.152 0.000 2.583 660 G HA2 -0.381 4.036 3.960 0.761 0.000 0.292 660 G HA3 -0.381 4.036 3.960 0.761 0.000 0.292 660 G C 0.920 175.795 174.900 -0.042 0.000 1.203 660 G CA 0.615 45.640 45.100 -0.125 0.000 0.987 660 G HN 0.597 nan 8.290 nan 0.000 0.554 661 K N 1.376 121.742 120.400 -0.056 0.000 2.366 661 K HA 0.227 5.004 4.320 0.761 0.000 0.198 661 K C 1.641 178.235 176.600 -0.009 0.000 1.044 661 K CA 0.640 56.874 56.287 -0.089 0.000 0.973 661 K CB 0.010 32.428 32.500 -0.137 0.000 0.767 661 K HN 0.654 nan 8.250 nan 0.000 0.475 662 G N 0.664 109.494 108.800 0.050 0.000 2.642 662 G HA2 0.527 4.944 3.960 0.761 0.000 0.291 662 G HA3 0.527 4.944 3.960 0.761 0.000 0.291 662 G C -0.816 174.166 174.900 0.137 0.000 1.345 662 G CA -0.590 44.553 45.100 0.072 0.000 1.043 662 G HN 0.044 nan 8.290 nan 0.000 0.528 663 R N -1.886 118.664 120.500 0.083 0.000 2.668 663 R HA 0.540 5.337 4.340 0.761 0.000 0.272 663 R C -0.591 175.776 176.300 0.111 0.000 1.019 663 R CA -0.664 55.488 56.100 0.086 0.000 0.894 663 R CB 2.413 32.701 30.300 -0.020 0.000 1.228 663 R HN 0.776 nan 8.270 nan 0.000 0.460 664 G N 0.857 109.732 108.800 0.125 0.000 2.420 664 G HA2 0.597 5.014 3.960 0.761 0.000 0.331 664 G HA3 0.597 5.014 3.960 0.761 0.000 0.331 664 G C -1.234 173.758 174.900 0.153 0.000 1.168 664 G CA -0.386 44.809 45.100 0.158 0.000 0.936 664 G HN 0.270 nan 8.290 nan 0.000 0.479 665 V N 1.452 121.455 119.914 0.148 0.000 2.588 665 V HA 0.404 4.981 4.120 0.761 0.000 0.304 665 V C -1.336 174.834 176.094 0.126 0.000 1.042 665 V CA -0.846 61.525 62.300 0.119 0.000 0.877 665 V CB 1.719 33.596 31.823 0.090 0.000 0.996 665 V HN 0.744 nan 8.190 nan 0.000 0.425 666 Y N 5.662 125.960 120.300 -0.003 0.000 2.360 666 Y HA 0.787 5.794 4.550 0.763 0.000 0.337 666 Y C -0.513 175.364 175.900 -0.039 0.000 1.039 666 Y CA -0.920 57.166 58.100 -0.024 0.000 1.109 666 Y CB 1.391 39.848 38.460 -0.004 0.000 1.201 666 Y HN 0.538 nan 8.280 nan 0.000 0.458 667 I N 5.103 125.148 120.570 -0.874 0.000 2.499 667 I HA 0.213 4.840 4.170 0.761 0.000 0.288 667 I C 0.650 176.163 176.117 -1.005 0.000 1.048 667 I CA -0.542 60.336 61.300 -0.703 0.000 1.062 667 I CB 2.372 40.215 38.000 -0.262 0.000 1.238 667 I HN 0.737 nan 8.210 nan 0.000 0.426 668 S N 3.312 118.560 115.700 -0.754 0.000 2.428 668 S HA 0.262 5.188 4.470 0.761 0.000 0.230 668 S C 0.800 175.288 174.600 -0.186 0.000 1.014 668 S CA 0.493 58.466 58.200 -0.378 0.000 0.957 668 S CB 0.122 63.235 63.200 -0.145 0.000 0.784 668 S HN 0.947 nan 8.310 nan 0.000 0.499 669 G N -0.266 108.445 108.800 -0.149 0.000 2.489 669 G HA2 0.526 4.943 3.960 0.761 0.000 0.291 669 G HA3 0.526 4.943 3.960 0.761 0.000 0.291 669 G C -2.118 172.711 174.900 -0.118 0.000 1.487 669 G CA -0.828 44.133 45.100 -0.232 0.000 0.795 669 G HN 0.413 nan 8.290 nan 0.000 0.513 670 L N 1.337 122.414 121.223 -0.244 0.000 2.448 670 L HA 0.451 5.248 4.340 0.761 0.000 0.257 670 L C -2.511 174.252 176.870 -0.179 0.000 1.504 670 L CA -1.193 53.549 54.840 -0.164 0.000 0.852 670 L CB 1.858 43.852 42.059 -0.109 0.000 1.051 670 L HN 0.258 nan 8.230 nan 0.000 0.518 671 P HA -0.063 nan 4.420 nan 0.000 0.265 671 P C -1.179 176.139 177.300 0.031 0.000 1.187 671 P CA 0.253 63.320 63.100 -0.055 0.000 0.766 671 P CB 0.151 31.879 31.700 0.047 0.000 0.820 672 Y N 3.539 123.849 120.300 0.016 0.000 2.526 672 Y HA 0.336 5.351 4.550 0.774 0.000 0.330 672 Y C 0.295 176.195 175.900 -0.000 0.000 1.156 672 Y CA 0.784 58.885 58.100 0.003 0.000 1.419 672 Y CB 0.205 38.682 38.460 0.029 0.000 1.250 672 Y HN 0.522 nan 8.280 nan 0.000 0.540 673 S N 3.190 118.363 115.700 -0.879 0.000 2.595 673 S HA 0.628 5.555 4.470 0.761 0.000 0.270 673 S C 0.283 174.434 174.600 -0.747 0.000 1.145 673 S CA -0.647 57.042 58.200 -0.851 0.000 0.825 673 S CB 0.692 63.669 63.200 -0.372 0.000 1.107 673 S HN 1.070 nan 8.310 nan 0.000 0.461 674 A N 1.483 124.009 122.820 -0.490 0.000 1.884 674 A HA 0.077 4.854 4.320 0.761 0.000 0.219 674 A C 2.364 179.833 177.584 -0.190 0.000 1.197 674 A CA 2.863 54.749 52.037 -0.252 0.000 0.637 674 A CB -1.755 17.156 19.000 -0.148 0.000 0.827 674 A HN 1.788 nan 8.150 nan 0.000 0.450 675 A N -0.418 122.285 122.820 -0.194 0.000 1.902 675 A HA -0.186 4.591 4.320 0.761 0.000 0.217 675 A C 1.928 179.416 177.584 -0.161 0.000 1.181 675 A CA 1.931 53.872 52.037 -0.161 0.000 0.623 675 A CB -0.603 18.298 19.000 -0.164 0.000 0.818 675 A HN 0.555 nan 8.150 nan 0.000 0.443 676 N N 0.173 118.756 118.700 -0.194 0.000 2.270 676 N HA 0.014 5.211 4.740 0.761 0.000 0.181 676 N C 1.802 177.260 175.510 -0.086 0.000 1.016 676 N CA 1.327 54.278 53.050 -0.165 0.000 0.870 676 N CB -0.503 37.872 38.487 -0.186 0.000 0.979 676 N HN 0.450 nan 8.380 nan 0.000 0.431 677 A N 1.059 123.834 122.820 -0.077 0.000 1.877 677 A HA -0.125 4.652 4.320 0.761 0.000 0.216 677 A C 2.253 179.859 177.584 0.037 0.000 1.186 677 A CA 1.512 53.569 52.037 0.033 0.000 0.620 677 A CB -0.433 18.632 19.000 0.108 0.000 0.822 677 A HN 0.148 nan 8.150 nan 0.000 0.443 678 R N -0.276 120.223 120.500 -0.001 0.000 2.105 678 R HA -0.113 4.683 4.340 0.761 0.000 0.239 678 R C 1.845 178.148 176.300 0.005 0.000 1.135 678 R CA 1.791 57.901 56.100 0.017 0.000 0.967 678 R CB -1.064 29.220 30.300 -0.026 0.000 0.861 678 R HN 0.431 nan 8.270 nan 0.000 0.442 679 L N -0.018 121.182 121.223 -0.038 0.000 2.017 679 L HA -0.088 4.709 4.340 0.761 0.000 0.208 679 L C 2.058 178.940 176.870 0.019 0.000 1.073 679 L CA 1.723 56.538 54.840 -0.041 0.000 0.745 679 L CB -0.816 41.194 42.059 -0.082 0.000 0.894 679 L HN 0.364 nan 8.230 nan 0.000 0.432 680 L N -0.247 120.994 121.223 0.030 0.000 2.017 680 L HA -0.235 4.562 4.340 0.761 0.000 0.208 680 L C 2.482 179.428 176.870 0.128 0.000 1.073 680 L CA 2.143 57.018 54.840 0.059 0.000 0.745 680 L CB -0.885 41.201 42.059 0.044 0.000 0.894 680 L HN 0.518 nan 8.230 nan 0.000 0.432 681 E N -0.694 119.605 120.200 0.166 0.000 2.085 681 E HA -0.272 4.534 4.350 0.761 0.000 0.194 681 E C 2.323 179.194 176.600 0.453 0.000 0.994 681 E CA 1.384 57.965 56.400 0.302 0.000 0.801 681 E CB -0.052 29.834 29.700 0.310 0.000 0.743 681 E HN 0.490 nan 8.360 nan 0.000 0.453 682 R N -0.149 120.529 120.500 0.297 0.000 2.092 682 R HA -0.101 4.696 4.340 0.761 0.000 0.231 682 R C 2.472 179.046 176.300 0.456 0.000 1.119 682 R CA 1.148 57.440 56.100 0.319 0.000 0.970 682 R CB -0.260 29.964 30.300 -0.127 0.000 0.864 682 R HN 0.109 nan 8.270 nan 0.000 0.440 683 V N 1.827 121.904 119.914 0.272 0.000 2.282 683 V HA -0.277 4.299 4.120 0.761 0.000 0.249 683 V C 2.307 178.556 176.094 0.258 0.000 1.057 683 V CA 1.840 64.284 62.300 0.240 0.000 1.032 683 V CB -0.445 31.450 31.823 0.120 0.000 0.645 683 V HN 0.284 nan 8.190 nan 0.000 0.447 684 L N -1.620 119.737 121.223 0.223 0.000 2.017 684 L HA -0.177 4.619 4.340 0.761 0.000 0.208 684 L C 2.412 179.331 176.870 0.081 0.000 1.073 684 L CA 1.795 56.696 54.840 0.103 0.000 0.745 684 L CB -0.724 41.342 42.059 0.012 0.000 0.894 684 L HN 0.228 nan 8.230 nan 0.000 0.432 685 F N -1.291 118.790 119.950 0.219 0.000 2.146 685 F HA -0.245 4.739 4.527 0.761 0.000 0.298 685 F C 2.562 178.387 175.800 0.042 0.000 1.096 685 F CA 1.544 59.654 58.000 0.184 0.000 1.275 685 F CB -0.574 38.640 39.000 0.356 0.000 1.008 685 F HN -0.053 nan 8.300 nan 0.000 0.480 686 Y N 0.514 120.902 120.300 0.146 0.000 2.133 686 Y HA -0.184 4.822 4.550 0.760 0.000 0.287 686 Y C 2.395 178.224 175.900 -0.118 0.000 1.134 686 Y CA 1.343 59.382 58.100 -0.101 0.000 1.133 686 Y CB -0.728 37.764 38.460 0.052 0.000 0.987 686 Y HN -0.026 nan 8.280 nan 0.000 0.502 687 A N -0.507 122.363 122.820 0.083 0.000 1.972 687 A HA -0.183 4.594 4.320 0.761 0.000 0.219 687 A C 2.196 179.706 177.584 -0.123 0.000 1.169 687 A CA 1.945 53.976 52.037 -0.009 0.000 0.635 687 A CB -1.196 17.860 19.000 0.094 0.000 0.810 687 A HN 0.552 nan 8.150 nan 0.000 0.446 688 S N -2.305 113.343 115.700 -0.087 0.000 2.671 688 S HA 0.074 5.001 4.470 0.761 0.000 0.220 688 S C 0.470 175.056 174.600 -0.024 0.000 0.951 688 S CA 0.339 58.501 58.200 -0.063 0.000 0.932 688 S CB -0.583 62.580 63.200 -0.062 0.000 0.777 688 S HN 0.578 nan 8.310 nan 0.000 0.508 689 H N 0.636 119.587 119.070 -0.200 0.000 2.791 689 H HA -0.137 4.876 4.556 0.761 0.000 0.302 689 H C -0.513 174.731 175.328 -0.139 0.000 1.198 689 H CA 1.040 56.950 56.048 -0.230 0.000 1.145 689 H CB -2.021 27.630 29.762 -0.187 0.000 1.385 689 H HN 0.678 nan 8.280 nan 0.000 0.409 690 N N 0.028 118.724 118.700 -0.006 0.000 2.401 690 N HA 0.047 5.244 4.740 0.761 0.000 0.264 690 N C 1.022 176.643 175.510 0.185 0.000 1.238 690 N CA -0.178 52.943 53.050 0.118 0.000 0.889 690 N CB 0.584 39.166 38.487 0.158 0.000 1.196 690 N HN 0.277 nan 8.380 nan 0.000 0.511 691 E N 0.860 121.009 120.200 -0.085 0.000 2.130 691 E HA -0.260 4.547 4.350 0.761 0.000 0.196 691 E C 1.457 178.066 176.600 0.016 0.000 0.998 691 E CA 1.416 57.657 56.400 -0.265 0.000 0.806 691 E CB -0.041 29.334 29.700 -0.541 0.000 0.738 691 E HN 0.495 nan 8.360 nan 0.000 0.459 692 D N 0.444 120.865 120.400 0.035 0.000 2.350 692 D HA -0.163 4.933 4.640 0.761 0.000 0.216 692 D C 1.240 177.595 176.300 0.090 0.000 0.968 692 D CA 0.846 54.880 54.000 0.058 0.000 0.894 692 D CB -0.008 40.810 40.800 0.030 0.000 0.909 692 D HN 0.116 nan 8.370 nan 0.000 0.520 693 K N -1.071 119.431 120.400 0.170 0.000 2.361 693 K HA -0.018 4.759 4.320 0.761 0.000 0.194 693 K C 1.461 178.123 176.600 0.103 0.000 1.032 693 K CA -0.280 56.132 56.287 0.209 0.000 1.048 693 K CB 0.093 32.809 32.500 0.360 0.000 0.842 693 K HN 0.102 nan 8.250 nan 0.000 0.526 694 Y N 1.469 121.664 120.300 -0.174 0.000 2.181 694 Y HA -0.258 4.747 4.550 0.760 0.000 0.288 694 Y C 2.031 177.684 175.900 -0.412 0.000 1.146 694 Y CA 1.800 59.466 58.100 -0.723 0.000 1.164 694 Y CB -0.173 38.104 38.460 -0.305 0.000 0.982 694 Y HN 0.013 nan 8.280 nan 0.000 0.515 695 A N 1.056 123.729 122.820 -0.245 0.000 1.968 695 A HA 0.213 4.990 4.320 0.761 0.000 0.217 695 A C 1.571 178.923 177.584 -0.387 0.000 1.169 695 A CA 0.600 52.462 52.037 -0.293 0.000 0.638 695 A CB -1.417 17.536 19.000 -0.079 0.000 0.812 695 A HN 0.520 nan 8.150 nan 0.000 0.446 696 A N -1.428 121.186 122.820 -0.343 0.000 2.522 696 A HA 0.354 5.131 4.320 0.761 0.000 0.256 696 A C 0.069 177.415 177.584 -0.397 0.000 1.086 696 A CA 0.202 51.939 52.037 -0.499 0.000 0.763 696 A CB -1.278 17.479 19.000 -0.404 0.000 1.024 696 A HN 0.941 nan 8.150 nan 0.000 0.502 697 W N 0.864 121.983 121.300 -0.301 0.000 5.158 697 W HA -0.209 4.908 4.660 0.761 0.000 0.393 697 W C 0.674 177.008 176.519 -0.309 0.000 1.508 697 W CA 0.507 57.653 57.345 -0.332 0.000 0.901 697 W CB -2.106 27.194 29.460 -0.266 0.000 2.676 697 W HN 1.122 nan 8.180 nan 0.000 1.392 698 S N -1.022 114.541 115.700 -0.228 0.000 2.566 698 S HA 0.804 5.731 4.470 0.761 0.000 0.298 698 S C -0.343 174.144 174.600 -0.188 0.000 1.083 698 S CA -0.409 57.620 58.200 -0.285 0.000 0.978 698 S CB 2.264 65.118 63.200 -0.576 0.000 1.073 698 S HN 0.398 nan 8.310 nan 0.000 0.491 699 S N 1.104 116.721 115.700 -0.138 0.000 2.442 699 S HA 0.397 5.324 4.470 0.761 0.000 0.297 699 S C 1.318 175.890 174.600 -0.047 0.000 1.131 699 S CA -0.116 58.040 58.200 -0.074 0.000 1.092 699 S CB 0.732 63.895 63.200 -0.062 0.000 0.998 699 S HN 1.072 nan 8.310 nan 0.000 0.478 700 S N 4.343 120.032 115.700 -0.019 0.000 2.359 700 S HA -0.137 4.790 4.470 0.761 0.000 0.224 700 S C 0.865 175.462 174.600 -0.004 0.000 1.035 700 S CA 0.806 59.005 58.200 -0.003 0.000 1.018 700 S CB -0.719 62.484 63.200 0.004 0.000 0.876 700 S HN 0.759 nan 8.310 nan 0.000 0.448 701 N N 3.036 121.734 118.700 -0.003 0.000 2.430 701 N HA 0.282 5.479 4.740 0.761 0.000 0.265 701 N C -2.353 173.147 175.510 -0.018 0.000 1.100 701 N CA -2.274 50.770 53.050 -0.009 0.000 0.961 701 N CB 1.344 39.832 38.487 0.001 0.000 1.075 701 N HN -0.001 nan 8.380 nan 0.000 0.478 702 P HA -0.031 nan 4.420 nan 0.000 0.230 702 P C 0.380 177.660 177.300 -0.032 0.000 1.158 702 P CA 0.860 63.943 63.100 -0.030 0.000 0.769 702 P CB 0.392 32.063 31.700 -0.048 0.000 0.807 703 E N -1.377 118.805 120.200 -0.030 0.000 2.427 703 E HA -0.007 4.800 4.350 0.761 0.000 0.196 703 E C 0.392 176.979 176.600 -0.021 0.000 1.028 703 E CA 0.421 56.806 56.400 -0.026 0.000 0.864 703 E CB -0.339 29.349 29.700 -0.021 0.000 0.813 703 E HN 0.279 nan 8.360 nan 0.000 0.514 704 C N 0.531 119.815 119.300 -0.027 0.000 2.562 704 C HA 0.566 5.483 4.460 0.761 0.000 0.332 704 C C 0.336 175.297 174.990 -0.049 0.000 1.201 704 C CA -0.873 58.119 59.018 -0.043 0.000 1.803 704 C CB 1.726 29.435 27.740 -0.052 0.000 2.328 704 C HN 0.163 nan 8.230 nan 0.000 0.500 705 E N 0.061 120.220 120.200 -0.068 0.000 2.343 705 E HA 0.653 5.459 4.350 0.761 0.000 0.270 705 E C -1.518 175.027 176.600 -0.093 0.000 0.895 705 E CA -0.525 55.835 56.400 -0.067 0.000 0.767 705 E CB 2.255 31.925 29.700 -0.049 0.000 1.248 705 E HN 0.404 nan 8.360 nan 0.000 0.440 706 V N 1.277 121.145 119.914 -0.077 0.000 2.513 706 V HA 0.689 5.266 4.120 0.761 0.000 0.299 706 V C -0.600 175.454 176.094 -0.067 0.000 1.035 706 V CA -0.611 61.651 62.300 -0.064 0.000 0.889 706 V CB 1.501 33.295 31.823 -0.049 0.000 0.988 706 V HN 0.746 nan 8.190 nan 0.000 0.440 707 A N 3.246 126.020 122.820 -0.076 0.000 2.330 707 A HA 0.642 5.418 4.320 0.761 0.000 0.313 707 A C -0.740 176.724 177.584 -0.199 0.000 1.124 707 A CA -0.521 51.400 52.037 -0.195 0.000 0.774 707 A CB 0.633 19.528 19.000 -0.176 0.000 1.198 707 A HN 1.000 nan 8.150 nan 0.000 0.465 708 H N 2.169 120.909 119.070 -0.550 0.000 2.459 708 H HA 0.600 5.612 4.556 0.761 0.000 0.332 708 H C -1.797 173.116 175.328 -0.691 0.000 1.094 708 H CA -0.694 54.975 56.048 -0.632 0.000 1.224 708 H CB 0.764 29.873 29.762 -1.088 0.000 1.449 708 H HN 0.520 nan 8.280 nan 0.000 0.484 709 F N 7.194 126.933 119.950 -0.353 0.000 2.564 709 F HA 0.237 5.220 4.527 0.760 0.000 0.368 709 F C -1.757 173.792 175.800 -0.417 0.000 1.127 709 F CA -2.022 55.791 58.000 -0.312 0.000 1.170 709 F CB 1.453 40.419 39.000 -0.057 0.000 1.397 709 F HN 0.526 nan 8.300 nan 0.000 0.493 710 P HA -0.231 nan 4.420 nan 0.000 0.216 710 P C 1.370 178.625 177.300 -0.074 0.000 1.150 710 P CA 1.584 64.463 63.100 -0.368 0.000 0.837 710 P CB 0.223 31.720 31.700 -0.338 0.000 0.786 711 E N 0.357 120.532 120.200 -0.042 0.000 2.418 711 E HA -0.170 4.636 4.350 0.761 0.000 0.197 711 E C 1.143 177.755 176.600 0.020 0.000 1.026 711 E CA 1.077 57.480 56.400 0.005 0.000 0.862 711 E CB -0.598 29.107 29.700 0.009 0.000 0.799 711 E HN 0.280 nan 8.360 nan 0.000 0.518 712 Q N -0.256 119.566 119.800 0.036 0.000 2.247 712 Q HA 0.300 5.097 4.340 0.761 0.000 0.211 712 Q C 0.841 176.875 176.000 0.057 0.000 0.861 712 Q CA 0.629 56.447 55.803 0.025 0.000 0.949 712 Q CB 1.034 29.759 28.738 -0.022 0.000 1.115 712 Q HN 0.426 nan 8.270 nan 0.000 0.507 713 G N 0.700 109.555 108.800 0.092 0.000 2.221 713 G HA2 -0.249 4.168 3.960 0.761 0.000 0.265 713 G HA3 -0.249 4.168 3.960 0.761 0.000 0.265 713 G C -0.561 174.451 174.900 0.186 0.000 1.041 713 G CA 0.087 45.272 45.100 0.141 0.000 0.807 713 G HN 0.166 nan 8.290 nan 0.000 0.502 714 L N -0.401 120.957 121.223 0.225 0.000 2.370 714 L HA 0.873 5.669 4.340 0.761 0.000 0.266 714 L C -0.094 177.047 176.870 0.451 0.000 1.002 714 L CA -1.961 53.061 54.840 0.303 0.000 0.818 714 L CB 1.898 44.129 42.059 0.287 0.000 1.325 714 L HN 0.399 nan 8.230 nan 0.000 0.418 715 Y N 0.604 121.107 120.300 0.338 0.000 2.524 715 Y HA 0.763 5.770 4.550 0.760 0.000 0.347 715 Y C -0.502 175.460 175.900 0.104 0.000 1.005 715 Y CA -1.728 56.511 58.100 0.233 0.000 1.025 715 Y CB 1.101 39.621 38.460 0.100 0.000 1.275 715 Y HN 0.746 nan 8.280 nan 0.000 0.460 716 C N 2.317 121.604 119.300 -0.021 0.000 2.595 716 C HA 0.924 5.841 4.460 0.761 0.000 0.338 716 C C -0.670 174.182 174.990 -0.230 0.000 1.219 716 C CA -1.105 57.579 59.018 -0.557 0.000 1.811 716 C CB 1.169 27.969 27.740 -1.567 0.000 2.313 716 C HN 1.106 nan 8.230 nan 0.000 0.499 717 V N 3.391 123.064 119.914 -0.402 0.000 2.531 717 V HA 0.731 5.308 4.120 0.761 0.000 0.301 717 V C -0.389 175.512 176.094 -0.323 0.000 1.034 717 V CA -0.515 61.578 62.300 -0.344 0.000 0.865 717 V CB 1.435 32.947 31.823 -0.517 0.000 0.995 717 V HN 1.027 nan 8.190 nan 0.000 0.424 718 I N 3.264 123.705 120.570 -0.215 0.000 2.562 718 I HA 0.660 5.286 4.170 0.761 0.000 0.301 718 I C -0.493 175.567 176.117 -0.095 0.000 1.003 718 I CA -0.752 60.459 61.300 -0.148 0.000 1.127 718 I CB 2.036 39.955 38.000 -0.134 0.000 1.304 718 I HN 0.548 nan 8.210 nan 0.000 0.446 719 N N 3.609 122.278 118.700 -0.051 0.000 2.420 719 N HA 0.252 5.448 4.740 0.761 0.000 0.249 719 N C -0.159 175.344 175.510 -0.013 0.000 1.033 719 N CA -0.181 52.857 53.050 -0.019 0.000 0.944 719 N CB 0.493 38.987 38.487 0.012 0.000 1.113 719 N HN 0.733 nan 8.380 nan 0.000 0.502 720 N N 0.694 119.386 118.700 -0.015 0.000 2.461 720 N HA -0.044 5.153 4.740 0.761 0.000 0.188 720 N C 0.169 175.691 175.510 0.019 0.000 1.134 720 N CA 0.297 53.345 53.050 -0.004 0.000 0.878 720 N CB 0.335 38.827 38.487 0.009 0.000 0.972 720 N HN 0.627 nan 8.380 nan 0.000 0.456 721 T N -1.997 112.569 114.554 0.021 0.000 2.905 721 T HA 0.201 5.008 4.350 0.761 0.000 0.283 721 T C 0.067 174.792 174.700 0.041 0.000 1.031 721 T CA -0.863 61.255 62.100 0.030 0.000 1.002 721 T CB 1.565 70.444 68.868 0.017 0.000 1.200 721 T HN -0.023 nan 8.240 nan 0.000 0.560 722 D N -0.513 119.913 120.400 0.042 0.000 2.427 722 D HA 0.168 5.264 4.640 0.761 0.000 0.224 722 D C -0.002 176.319 176.300 0.034 0.000 1.157 722 D CA -0.283 53.745 54.000 0.046 0.000 0.828 722 D CB 0.059 40.889 40.800 0.050 0.000 0.974 722 D HN 0.339 nan 8.370 nan 0.000 0.498 723 Q N 0.525 120.342 119.800 0.028 0.000 2.387 723 Q HA 0.442 5.238 4.340 0.761 0.000 0.273 723 Q C -2.754 173.261 176.000 0.025 0.000 1.089 723 Q CA -2.265 53.552 55.803 0.023 0.000 0.824 723 Q CB 1.765 30.513 28.738 0.016 0.000 1.367 723 Q HN -0.003 nan 8.270 nan 0.000 0.443 724 P HA 0.029 nan 4.420 nan 0.000 0.266 724 P C -0.762 176.555 177.300 0.028 0.000 1.195 724 P CA 0.240 63.358 63.100 0.030 0.000 0.768 724 P CB 0.554 32.272 31.700 0.029 0.000 0.838 725 Q N 2.018 121.840 119.800 0.036 0.000 2.274 725 Q HA 0.312 5.109 4.340 0.761 0.000 0.268 725 Q C -0.582 175.449 176.000 0.053 0.000 1.015 725 Q CA -0.588 55.235 55.803 0.033 0.000 0.775 725 Q CB 2.598 31.349 28.738 0.021 0.000 1.256 725 Q HN 0.390 nan 8.270 nan 0.000 0.442 726 K N 1.138 121.568 120.400 0.050 0.000 2.172 726 K HA 0.622 5.398 4.320 0.761 0.000 0.276 726 K C -0.187 176.456 176.600 0.072 0.000 1.013 726 K CA -0.148 56.181 56.287 0.070 0.000 0.913 726 K CB 1.409 33.938 32.500 0.049 0.000 1.055 726 K HN 0.482 nan 8.250 nan 0.000 0.461 727 T N 0.776 115.401 114.554 0.119 0.000 2.885 727 T HA 0.234 5.041 4.350 0.761 0.000 0.322 727 T C -1.383 173.427 174.700 0.184 0.000 1.387 727 T CA -0.545 61.621 62.100 0.110 0.000 1.041 727 T CB 1.611 70.521 68.868 0.070 0.000 1.287 727 T HN 0.422 nan 8.240 nan 0.000 0.491 728 T N 2.914 117.541 114.554 0.122 0.000 2.758 728 T HA 0.573 5.380 4.350 0.761 0.000 0.285 728 T C -0.278 174.488 174.700 0.109 0.000 0.981 728 T CA -0.412 61.762 62.100 0.124 0.000 0.965 728 T CB 1.007 69.903 68.868 0.046 0.000 0.927 728 T HN 0.470 nan 8.240 nan 0.000 0.448 729 V N 4.066 124.097 119.914 0.196 0.000 2.481 729 V HA 0.393 4.970 4.120 0.761 0.000 0.286 729 V C 0.561 176.620 176.094 -0.059 0.000 1.042 729 V CA -0.558 61.781 62.300 0.064 0.000 0.928 729 V CB 1.630 33.538 31.823 0.143 0.000 0.986 729 V HN 0.911 nan 8.190 nan 0.000 0.462 730 T N 6.422 120.864 114.554 -0.188 0.000 2.771 730 T HA 0.609 5.415 4.350 0.761 0.000 0.281 730 T C -0.236 174.152 174.700 -0.521 0.000 0.982 730 T CA -0.326 61.609 62.100 -0.275 0.000 0.978 730 T CB 0.976 69.701 68.868 -0.238 0.000 0.930 730 T HN 0.230 nan 8.240 nan 0.000 0.447 731 L N 1.901 122.759 121.223 -0.608 0.000 2.469 731 L HA 0.540 5.337 4.340 0.761 0.000 0.253 731 L C 1.929 178.103 176.870 -1.161 0.000 1.143 731 L CA -0.223 53.923 54.840 -1.158 0.000 0.804 731 L CB -0.092 41.564 42.059 -0.671 0.000 1.214 731 L HN 0.723 nan 8.230 nan 0.000 0.476 732 A N 0.297 122.199 122.820 -1.531 0.000 1.978 732 A HA -0.178 4.599 4.320 0.761 0.000 0.220 732 A C 1.376 178.736 177.584 -0.373 0.000 1.170 732 A CA 1.737 53.295 52.037 -0.798 0.000 0.636 732 A CB -0.850 17.944 19.000 -0.343 0.000 0.810 732 A HN 0.889 nan 8.150 nan 0.000 0.448 733 D N -2.328 117.894 120.400 -0.297 0.000 2.328 733 D HA 0.286 5.383 4.640 0.761 0.000 0.226 733 D C 1.150 177.360 176.300 -0.150 0.000 1.066 733 D CA 0.826 54.733 54.000 -0.155 0.000 0.861 733 D CB -0.598 40.152 40.800 -0.084 0.000 0.912 733 D HN 0.767 nan 8.370 nan 0.000 0.521 734 G N -0.532 108.141 108.800 -0.213 0.000 2.176 734 G HA2 -0.272 4.145 3.960 0.761 0.000 0.253 734 G HA3 -0.272 4.145 3.960 0.761 0.000 0.253 734 G C 0.477 175.296 174.900 -0.134 0.000 0.979 734 G CA 0.349 45.352 45.100 -0.161 0.000 0.641 734 G HN 0.472 nan 8.290 nan 0.000 0.530 735 T N 1.480 115.949 114.554 -0.141 0.000 2.898 735 T HA 0.555 5.362 4.350 0.761 0.000 0.301 735 T C 0.750 175.387 174.700 -0.104 0.000 1.049 735 T CA 1.033 63.077 62.100 -0.094 0.000 1.095 735 T CB 1.156 69.989 68.868 -0.059 0.000 0.976 735 T HN 1.029 nan 8.240 nan 0.000 0.539 736 T N 0.135 114.654 114.554 -0.057 0.000 2.907 736 T HA 0.709 5.516 4.350 0.761 0.000 0.292 736 T C -1.032 173.665 174.700 -0.006 0.000 1.043 736 T CA -0.997 61.080 62.100 -0.038 0.000 1.003 736 T CB 2.228 71.073 68.868 -0.038 0.000 1.084 736 T HN 0.591 nan 8.240 nan 0.000 0.483 737 E N 0.785 121.003 120.200 0.031 0.000 2.292 737 E HA 0.417 5.224 4.350 0.761 0.000 0.272 737 E C -1.487 175.034 176.600 -0.131 0.000 0.881 737 E CA -0.764 55.590 56.400 -0.076 0.000 0.754 737 E CB 1.506 31.149 29.700 -0.095 0.000 1.201 737 E HN 0.646 nan 8.360 nan 0.000 0.425 738 D N 2.889 123.140 120.400 -0.247 0.000 2.210 738 D HA 0.364 5.461 4.640 0.761 0.000 0.249 738 D C -0.824 175.249 176.300 -0.378 0.000 1.062 738 D CA 0.211 54.123 54.000 -0.148 0.000 0.891 738 D CB 0.677 41.432 40.800 -0.076 0.000 1.186 738 D HN 0.247 nan 8.370 nan 0.000 0.432 739 F N 0.069 120.043 119.950 0.041 0.000 2.588 739 F HA 0.255 5.240 4.527 0.763 0.000 0.314 739 F C 0.272 176.091 175.800 0.031 0.000 1.069 739 F CA -0.961 57.064 58.000 0.043 0.000 0.931 739 F CB 2.034 41.065 39.000 0.052 0.000 1.260 739 F HN -0.001 nan 8.300 nan 0.000 0.465 740 D N 3.135 123.663 120.400 0.213 0.000 2.454 740 D HA 0.369 5.466 4.640 0.761 0.000 0.247 740 D C -1.235 175.146 176.300 0.136 0.000 1.129 740 D CA -0.108 53.972 54.000 0.134 0.000 0.877 740 D CB 1.029 41.877 40.800 0.081 0.000 1.082 740 D HN 0.414 nan 8.370 nan 0.000 0.537 741 L N 5.418 126.711 121.223 0.117 0.000 2.275 741 L HA 0.440 5.237 4.340 0.761 0.000 0.288 741 L C -1.801 175.109 176.870 0.067 0.000 1.046 741 L CA -1.537 53.357 54.840 0.091 0.000 0.805 741 L CB 1.654 43.746 42.059 0.055 0.000 1.193 741 L HN 0.176 nan 8.230 nan 0.000 0.426 742 P HA -0.006 nan 4.420 nan 0.000 0.277 742 P C -0.747 176.584 177.300 0.050 0.000 1.276 742 P CA -0.533 62.599 63.100 0.053 0.000 0.788 742 P CB 0.510 32.241 31.700 0.051 0.000 1.114 743 D N -0.021 120.403 120.400 0.040 0.000 2.772 743 D HA -0.116 4.980 4.640 0.761 0.000 0.227 743 D C 0.112 176.452 176.300 0.066 0.000 1.114 743 D CA 1.158 55.184 54.000 0.043 0.000 0.832 743 D CB -0.541 40.276 40.800 0.029 0.000 1.154 743 D HN 0.344 nan 8.370 nan 0.000 0.514 744 S N 1.074 116.824 115.700 0.082 0.000 3.402 744 S HA -0.162 4.764 4.470 0.761 0.000 0.329 744 S C 0.920 175.616 174.600 0.160 0.000 1.194 744 S CA 0.679 58.958 58.200 0.132 0.000 0.951 744 S CB -1.887 61.439 63.200 0.210 0.000 0.975 744 S HN 0.894 nan 8.310 nan 0.000 0.574 745 G N 0.172 109.036 108.800 0.108 0.000 2.664 745 G HA2 0.506 4.923 3.960 0.761 0.000 0.242 745 G HA3 0.506 4.923 3.960 0.761 0.000 0.242 745 G C -0.338 174.608 174.900 0.076 0.000 1.225 745 G CA -0.032 45.135 45.100 0.112 0.000 0.849 745 G HN 0.640 nan 8.290 nan 0.000 0.581 746 I N -0.246 120.370 120.570 0.076 0.000 2.802 746 I HA 0.675 5.302 4.170 0.761 0.000 0.298 746 I C -0.602 175.481 176.117 -0.058 0.000 1.176 746 I CA -1.014 60.264 61.300 -0.037 0.000 1.025 746 I CB 2.116 40.119 38.000 0.004 0.000 1.243 746 I HN 0.732 nan 8.210 nan 0.000 0.424 747 A N 5.735 128.412 122.820 -0.239 0.000 2.393 747 A HA 0.720 5.497 4.320 0.761 0.000 0.306 747 A C -2.224 175.154 177.584 -0.343 0.000 1.050 747 A CA -0.343 51.615 52.037 -0.132 0.000 0.724 747 A CB 0.791 19.794 19.000 0.005 0.000 1.248 747 A HN 0.697 nan 8.150 nan 0.000 0.424 748 W N 1.814 123.101 121.300 -0.022 0.000 2.551 748 W HA 0.780 5.897 4.660 0.760 0.000 0.330 748 W C 0.371 176.810 176.519 -0.133 0.000 1.063 748 W CA -0.283 57.003 57.345 -0.097 0.000 1.222 748 W CB 1.530 30.953 29.460 -0.062 0.000 1.349 748 W HN 0.537 nan 8.180 nan 0.000 0.536 749 R N 1.216 121.655 120.500 -0.102 0.000 2.739 749 R HA 0.355 5.152 4.340 0.761 0.000 0.271 749 R C -0.314 175.919 176.300 -0.111 0.000 1.010 749 R CA -1.154 54.840 56.100 -0.176 0.000 0.897 749 R CB 1.760 31.845 30.300 -0.359 0.000 1.236 749 R HN 0.569 nan 8.270 nan 0.000 0.466 750 E N 0.000 120.227 120.200 0.045 0.000 2.725 750 E HA 0.000 4.807 4.350 0.761 0.000 0.291 750 E CA 0.000 56.483 56.400 0.139 0.000 0.976 750 E CB 0.000 29.770 29.700 0.117 0.000 0.812 750 E HN 0.000 nan 8.360 nan 0.000 0.440