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 3f6t_1_B DATA FIRST_RESID 15 DATA SEQUENCE FEISRKXLAL AQKNEKSNIF LNAGRGNPNW IQTLARLAFV RLVQFGVTES DATA SEQUENCE KLTINNGIXA GYINTDGIRE RLFAFLDPDK NDEDKFLIDA VNYCHTELGL DATA SEQUENCE NRDKVVAEWV NGAVANNYPV PDRCLVNTEK IINYFLQELS YKDANLAEQT DATA SEQUENCE DLFPTEGGTA AIVYAFHSLA ENHLLKKGDK IAINEPIFTP YLRIPELKDY DATA SEQUENCE ELVEVDLHSY EKNDWEIEPN EIEKLKDPSI KALIVVNPTN PTSKEFDTNA DATA SEQUENCE LNAIKQAVEK NPKLXIISDE VYGAFVPNFK SIYSVVPYNT XLVYSYSXLF DATA SEQUENCE GCTGWRLGVI ALNEKNVFDD NIAHLDKVEL RQLHKRYSSV VLDPDKXKFI DATA SEQUENCE DRLCADSRSI GLYHTAGLST PQQIXEALFS XTHLLTSTNG GSDDPYIDIA DATA SEQUENCE RKLVSERYDQ LHDAXQAPKD ETDTNTHYYS LIDIYRLAEK IYGKEFRDYL DATA SEQUENCE TNNFEQVDFL LKLAEKNGVV LVDGVGFGAK PGELRVSQAN LPTEDYALIG DATA SEQUENCE KQVLELLKEY YEEFKQN 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 15 F HA 0.000 nan 4.527 nan 0.000 0.279 15 F C 0.000 175.769 175.800 -0.052 0.000 0.967 15 F CA 0.000 57.971 58.000 -0.049 0.000 1.383 15 F CB 0.000 38.962 39.000 -0.063 0.000 1.145 16 E N 1.318 121.485 120.200 -0.056 0.000 2.347 16 E HA 0.536 4.886 4.350 -0.000 0.000 0.285 16 E C -1.588 174.976 176.600 -0.059 0.000 0.925 16 E CA -0.490 55.879 56.400 -0.052 0.000 0.779 16 E CB 2.157 31.833 29.700 -0.041 0.000 1.233 16 E HN 0.814 nan 8.360 nan 0.000 0.414 17 I N 2.339 122.872 120.570 -0.062 0.000 2.752 17 I HA -0.024 4.146 4.170 -0.000 0.000 0.287 17 I C 0.939 177.027 176.117 -0.049 0.000 1.188 17 I CA 0.311 61.572 61.300 -0.066 0.000 1.427 17 I CB 0.943 38.905 38.000 -0.064 0.000 1.365 17 I HN 0.395 nan 8.210 nan 0.000 0.585 18 S N 5.253 120.924 115.700 -0.047 0.000 2.544 18 S HA 0.022 4.491 4.470 -0.000 0.000 0.290 18 S C 1.412 175.997 174.600 -0.025 0.000 1.276 18 S CA -0.574 57.605 58.200 -0.034 0.000 1.075 18 S CB 0.365 63.547 63.200 -0.030 0.000 0.849 18 S HN 0.467 nan 8.310 nan 0.000 0.494 19 R N 3.830 124.316 120.500 -0.023 0.000 2.148 19 R HA 0.074 4.414 4.340 -0.000 0.000 0.227 19 R C 0.778 177.071 176.300 -0.011 0.000 1.103 19 R CA 1.065 57.155 56.100 -0.017 0.000 0.983 19 R CB -0.857 29.433 30.300 -0.017 0.000 0.874 19 R HN 0.617 nan 8.270 nan 0.000 0.451 23 A N -0.177 122.646 122.820 0.006 0.000 1.929 23 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 23 A C 1.939 179.532 177.584 0.015 0.000 1.176 23 A CA 1.883 53.925 52.037 0.007 0.000 0.628 23 A CB -0.510 18.492 19.000 0.004 0.000 0.816 23 A HN 0.339 nan 8.150 nan 0.000 0.444 24 L N -0.107 121.131 121.223 0.024 0.000 2.083 24 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 24 L C 2.656 179.548 176.870 0.037 0.000 1.083 24 L CA 2.018 56.879 54.840 0.036 0.000 0.752 24 L CB -0.728 41.364 42.059 0.055 0.000 0.899 24 L HN 0.351 nan 8.230 nan 0.000 0.433 25 A N -1.233 121.608 122.820 0.035 0.000 1.933 25 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 25 A C 2.233 179.832 177.584 0.025 0.000 1.175 25 A CA 1.581 53.639 52.037 0.035 0.000 0.628 25 A CB -0.663 18.355 19.000 0.030 0.000 0.814 25 A HN 0.535 nan 8.150 nan 0.000 0.444 26 Q N -0.147 119.664 119.800 0.018 0.000 2.508 26 Q HA -0.077 4.263 4.340 -0.000 0.000 0.214 26 Q C 1.564 177.571 176.000 0.012 0.000 0.979 26 Q CA 1.537 57.347 55.803 0.012 0.000 0.911 26 Q CB -0.227 28.516 28.738 0.008 0.000 0.969 26 Q HN 0.710 nan 8.270 nan 0.000 0.504 27 K N -1.170 119.239 120.400 0.016 0.000 2.352 27 K HA 0.113 4.433 4.320 -0.000 0.000 0.194 27 K C 0.028 176.636 176.600 0.014 0.000 1.038 27 K CA 0.316 56.611 56.287 0.013 0.000 1.023 27 K CB 0.554 33.062 32.500 0.015 0.000 0.840 27 K HN -0.020 nan 8.250 nan 0.000 0.519 28 N N 1.029 119.741 118.700 0.020 0.000 2.827 28 N HA -0.017 4.723 4.740 -0.000 0.000 0.240 28 N C -0.206 175.320 175.510 0.026 0.000 1.352 28 N CA -0.079 52.983 53.050 0.020 0.000 0.760 28 N CB 0.974 39.473 38.487 0.020 0.000 1.426 28 N HN 0.018 nan 8.380 nan 0.000 0.561 29 E N 1.998 122.211 120.200 0.021 0.000 2.209 29 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 29 E C 0.728 177.347 176.600 0.032 0.000 0.993 29 E CA 1.233 57.648 56.400 0.024 0.000 0.819 29 E CB 0.262 29.972 29.700 0.017 0.000 0.745 29 E HN 0.511 nan 8.360 nan 0.000 0.477 30 K N -0.168 120.250 120.400 0.029 0.000 2.211 30 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 30 K C 1.968 178.604 176.600 0.059 0.000 1.047 30 K CA 1.289 57.597 56.287 0.034 0.000 0.935 30 K CB 0.027 32.539 32.500 0.020 0.000 0.728 30 K HN 0.003 nan 8.250 nan 0.000 0.452 31 S N 0.769 116.510 115.700 0.068 0.000 2.558 31 S HA -0.027 4.442 4.470 -0.000 0.000 0.217 31 S C 1.350 176.031 174.600 0.135 0.000 0.975 31 S CA 0.241 58.509 58.200 0.114 0.000 0.912 31 S CB -0.087 63.176 63.200 0.105 0.000 0.776 31 S HN 0.331 nan 8.310 nan 0.000 0.526 32 N N 2.410 121.163 118.700 0.087 0.000 2.069 32 N HA -0.044 4.696 4.740 -0.000 0.000 0.191 32 N C 1.414 176.966 175.510 0.070 0.000 1.031 32 N CA 1.423 54.512 53.050 0.065 0.000 0.852 32 N CB -0.290 38.221 38.487 0.040 0.000 1.018 32 N HN 0.366 nan 8.380 nan 0.000 0.423 33 I N -0.720 119.907 120.570 0.095 0.000 2.163 33 I HA -0.247 3.923 4.170 -0.000 0.000 0.243 33 I C 1.884 178.084 176.117 0.139 0.000 1.085 33 I CA 1.057 62.420 61.300 0.105 0.000 1.347 33 I CB -0.354 37.717 38.000 0.117 0.000 1.044 33 I HN 0.174 nan 8.210 nan 0.000 0.408 34 F N 1.304 121.297 119.950 0.072 0.000 2.128 34 F HA -0.132 4.395 4.527 -0.000 0.000 0.295 34 F C 2.195 178.031 175.800 0.059 0.000 1.100 34 F CA 1.545 59.601 58.000 0.093 0.000 1.260 34 F CB -0.228 38.837 39.000 0.108 0.000 1.009 34 F HN -0.149 nan 8.300 nan 0.000 0.476 35 L N 0.108 121.345 121.223 0.023 0.000 2.017 35 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 35 L C 1.669 178.451 176.870 -0.146 0.000 1.073 35 L CA 1.489 56.286 54.840 -0.071 0.000 0.745 35 L CB -0.573 41.533 42.059 0.078 0.000 0.894 35 L HN 0.214 nan 8.230 nan 0.000 0.432 36 N N -1.330 117.314 118.700 -0.092 0.000 2.332 36 N HA 0.122 4.861 4.740 -0.000 0.000 0.190 36 N C 1.365 176.796 175.510 -0.131 0.000 1.117 36 N CA 0.885 53.875 53.050 -0.100 0.000 0.883 36 N CB 0.688 39.146 38.487 -0.048 0.000 1.089 36 N HN 0.165 nan 8.380 nan 0.000 0.480 37 A N -0.073 122.684 122.820 -0.106 0.000 2.197 37 A HA 0.499 4.819 4.320 -0.000 0.000 0.210 37 A C 1.342 178.852 177.584 -0.124 0.000 1.180 37 A CA 0.715 52.692 52.037 -0.100 0.000 0.846 37 A CB -0.058 18.944 19.000 0.004 0.000 0.884 37 A HN 0.196 nan 8.150 nan 0.000 0.487 38 G N -0.077 108.623 108.800 -0.167 0.000 2.160 38 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 38 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 38 G C 0.017 174.938 174.900 0.035 0.000 1.022 38 G CA 0.292 45.269 45.100 -0.206 0.000 0.741 38 G HN 0.650 nan 8.290 nan 0.000 0.508 39 R N -0.335 120.281 120.500 0.194 0.000 2.599 39 R HA 0.594 4.934 4.340 -0.000 0.000 0.295 39 R C 0.342 176.996 176.300 0.590 0.000 0.963 39 R CA -0.381 55.963 56.100 0.406 0.000 0.883 39 R CB 1.873 32.350 30.300 0.296 0.000 1.171 39 R HN 0.311 nan 8.270 nan 0.000 0.450 40 G N 1.702 110.972 108.800 0.783 0.000 2.350 40 G HA2 0.060 4.019 3.960 -0.000 0.000 0.306 40 G HA3 0.060 4.019 3.960 -0.000 0.000 0.306 40 G C -0.353 174.752 174.900 0.342 0.000 1.094 40 G CA -0.454 45.008 45.100 0.602 0.000 0.953 40 G HN 0.576 nan 8.290 nan 0.000 0.420 41 N N 3.188 121.998 118.700 0.183 0.000 2.442 41 N HA 0.340 5.080 4.740 -0.000 0.000 0.265 41 N C -2.242 173.207 175.510 -0.103 0.000 1.138 41 N CA -1.202 51.876 53.050 0.046 0.000 0.956 41 N CB 1.129 39.637 38.487 0.035 0.000 1.067 41 N HN 0.158 nan 8.380 nan 0.000 0.474 42 P HA 0.069 nan 4.420 nan 0.000 0.268 42 P C -0.513 176.475 177.300 -0.520 0.000 1.205 42 P CA -0.120 62.522 63.100 -0.764 0.000 0.771 42 P CB 0.470 31.307 31.700 -1.438 0.000 0.858 43 N N 1.733 120.230 118.700 -0.338 0.000 2.276 43 N HA 0.059 4.799 4.740 -0.000 0.000 0.212 43 N C -0.698 174.858 175.510 0.076 0.000 1.127 43 N CA -0.529 52.480 53.050 -0.069 0.000 0.834 43 N CB -0.495 38.015 38.487 0.038 0.000 1.014 43 N HN 0.483 nan 8.380 nan 0.000 0.491 44 W N 0.829 122.177 121.300 0.081 0.000 2.820 44 W HA 0.796 5.457 4.660 0.000 0.000 0.350 44 W C -0.743 175.867 176.519 0.153 0.000 1.116 44 W CA -1.508 55.900 57.345 0.105 0.000 1.146 44 W CB 0.583 30.098 29.460 0.092 0.000 1.433 44 W HN -0.046 nan 8.180 nan 0.000 0.561 45 I N -0.890 119.928 120.570 0.413 0.000 2.994 45 I HA 0.438 4.608 4.170 -0.000 0.000 0.306 45 I C -0.771 175.609 176.117 0.439 0.000 1.195 45 I CA -1.472 60.037 61.300 0.349 0.000 1.001 45 I CB 2.183 40.313 38.000 0.217 0.000 1.244 45 I HN 0.641 nan 8.210 nan 0.000 0.437 46 Q N 1.720 121.712 119.800 0.320 0.000 2.256 46 Q HA 0.296 4.636 4.340 -0.000 0.000 0.254 46 Q C 0.425 176.504 176.000 0.131 0.000 0.916 46 Q CA 0.146 55.985 55.803 0.060 0.000 0.932 46 Q CB 1.771 30.384 28.738 -0.207 0.000 1.207 46 Q HN 0.968 nan 8.270 nan 0.000 0.426 47 T N 0.949 115.534 114.554 0.052 0.000 3.039 47 T HA -0.048 4.302 4.350 -0.000 0.000 0.250 47 T C 1.629 176.297 174.700 -0.053 0.000 1.052 47 T CA 0.146 62.268 62.100 0.037 0.000 1.125 47 T CB 0.055 68.948 68.868 0.041 0.000 0.908 47 T HN 0.482 nan 8.240 nan 0.000 0.473 48 L N 2.278 123.413 121.223 -0.145 0.000 1.994 48 L HA 0.253 4.593 4.340 -0.000 0.000 0.208 48 L C 2.870 179.493 176.870 -0.413 0.000 1.071 48 L CA 2.051 56.708 54.840 -0.305 0.000 0.745 48 L CB -1.248 40.547 42.059 -0.440 0.000 0.892 48 L HN 0.351 nan 8.230 nan 0.000 0.431 49 A N -0.643 121.903 122.820 -0.457 0.000 1.933 49 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 49 A C 2.398 179.722 177.584 -0.434 0.000 1.175 49 A CA 1.738 53.429 52.037 -0.577 0.000 0.628 49 A CB -0.531 17.820 19.000 -1.081 0.000 0.814 49 A HN 0.509 nan 8.150 nan 0.000 0.444 50 R N -0.529 119.791 120.500 -0.300 0.000 2.073 50 R HA -0.027 4.313 4.340 -0.000 0.000 0.234 50 R C 2.033 178.348 176.300 0.025 0.000 1.134 50 R CA 1.524 57.559 56.100 -0.108 0.000 0.952 50 R CB -0.498 29.819 30.300 0.029 0.000 0.850 50 R HN 0.494 nan 8.270 nan 0.000 0.433 51 L N 0.005 121.228 121.223 0.001 0.000 2.141 51 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 51 L C 2.620 179.525 176.870 0.059 0.000 1.094 51 L CA 1.025 55.888 54.840 0.039 0.000 0.763 51 L CB -0.554 41.514 42.059 0.015 0.000 0.908 51 L HN 0.275 nan 8.230 nan 0.000 0.437 52 A N -0.107 122.736 122.820 0.040 0.000 1.898 52 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 52 A C 2.146 179.771 177.584 0.067 0.000 1.181 52 A CA 1.151 53.250 52.037 0.103 0.000 0.620 52 A CB -0.715 18.425 19.000 0.234 0.000 0.819 52 A HN 0.365 nan 8.150 nan 0.000 0.442 53 F N 0.844 120.729 119.950 -0.109 0.000 2.069 53 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 53 F C 2.272 178.069 175.800 -0.006 0.000 1.113 53 F CA 2.076 60.006 58.000 -0.117 0.000 1.214 53 F CB -0.511 38.363 39.000 -0.210 0.000 0.978 53 F HN 0.033 nan 8.300 nan 0.000 0.474 54 V N 1.379 121.374 119.914 0.134 0.000 2.250 54 V HA -0.420 3.700 4.120 -0.000 0.000 0.253 54 V C 2.656 178.763 176.094 0.023 0.000 1.065 54 V CA 2.434 64.786 62.300 0.088 0.000 1.039 54 V CB -0.692 31.209 31.823 0.129 0.000 0.647 54 V HN 0.336 nan 8.190 nan 0.000 0.446 55 R N -0.539 119.999 120.500 0.064 0.000 2.120 55 R HA -0.060 4.280 4.340 -0.000 0.000 0.234 55 R C 2.171 178.543 176.300 0.120 0.000 1.123 55 R CA 1.282 57.472 56.100 0.150 0.000 0.975 55 R CB -0.812 29.594 30.300 0.175 0.000 0.866 55 R HN 0.479 nan 8.270 nan 0.000 0.446 56 L N 0.234 121.448 121.223 -0.014 0.000 2.141 56 L HA -0.116 4.223 4.340 -0.000 0.000 0.209 56 L C 2.434 179.238 176.870 -0.110 0.000 1.094 56 L CA 0.744 55.564 54.840 -0.033 0.000 0.763 56 L CB -0.460 41.522 42.059 -0.129 0.000 0.908 56 L HN -0.092 nan 8.230 nan 0.000 0.437 57 V N -0.499 119.281 119.914 -0.224 0.000 2.307 57 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 57 V C 2.445 178.483 176.094 -0.093 0.000 1.045 57 V CA 1.599 63.788 62.300 -0.185 0.000 1.024 57 V CB -0.584 31.132 31.823 -0.178 0.000 0.651 57 V HN 0.464 nan 8.190 nan 0.000 0.449 58 Q N -0.750 119.045 119.800 -0.008 0.000 2.045 58 Q HA -0.265 4.075 4.340 -0.000 0.000 0.206 58 Q C 2.194 178.135 176.000 -0.097 0.000 0.991 58 Q CA 2.364 58.204 55.803 0.062 0.000 0.851 58 Q CB -0.410 28.486 28.738 0.263 0.000 0.911 58 Q HN 0.648 nan 8.270 nan 0.000 0.418 59 F N 0.875 120.542 119.950 -0.472 0.000 2.134 59 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 59 F C 2.011 177.520 175.800 -0.486 0.000 1.097 59 F CA 1.794 59.208 58.000 -0.977 0.000 1.264 59 F CB -0.665 37.761 39.000 -0.957 0.000 1.001 59 F HN 0.010 nan 8.300 nan 0.000 0.479 60 G N -0.288 108.210 108.800 -0.503 0.000 2.421 60 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 60 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 60 G C 1.717 176.393 174.900 -0.372 0.000 1.143 60 G CA 0.966 45.774 45.100 -0.487 0.000 0.784 60 G HN 0.356 nan 8.290 nan 0.000 0.541 61 V N 1.047 120.801 119.914 -0.266 0.000 2.307 61 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 61 V C 3.140 179.104 176.094 -0.216 0.000 1.045 61 V CA 2.303 64.493 62.300 -0.183 0.000 1.024 61 V CB -0.896 30.867 31.823 -0.100 0.000 0.651 61 V HN 0.368 nan 8.190 nan 0.000 0.449 62 T N -0.373 114.025 114.554 -0.260 0.000 2.665 62 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 62 T C 1.878 176.396 174.700 -0.303 0.000 1.035 62 T CA 1.651 63.615 62.100 -0.227 0.000 1.151 62 T CB -0.286 68.467 68.868 -0.191 0.000 0.862 62 T HN 0.463 nan 8.240 nan 0.000 0.438 63 E N 1.158 121.048 120.200 -0.516 0.000 2.058 63 E HA -0.084 4.265 4.350 -0.000 0.000 0.194 63 E C 2.636 179.042 176.600 -0.322 0.000 0.997 63 E CA 1.097 57.212 56.400 -0.473 0.000 0.801 63 E CB -0.421 28.876 29.700 -0.672 0.000 0.746 63 E HN 0.405 nan 8.360 nan 0.000 0.450 64 S N 1.011 116.535 115.700 -0.293 0.000 2.399 64 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 64 S C 1.693 176.163 174.600 -0.216 0.000 1.022 64 S CA 0.980 59.039 58.200 -0.235 0.000 0.983 64 S CB -0.098 62.998 63.200 -0.173 0.000 0.803 64 S HN 0.246 nan 8.310 nan 0.000 0.480 65 K N 0.909 121.202 120.400 -0.180 0.000 2.515 65 K HA 0.101 4.421 4.320 -0.000 0.000 0.196 65 K C 1.523 178.037 176.600 -0.143 0.000 1.038 65 K CA 0.457 56.662 56.287 -0.137 0.000 0.967 65 K CB -0.242 32.200 32.500 -0.097 0.000 0.780 65 K HN 0.357 nan 8.250 nan 0.000 0.483 66 L N 0.619 121.735 121.223 -0.178 0.000 2.217 66 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 66 L C 2.492 179.240 176.870 -0.204 0.000 1.107 66 L CA 1.311 56.052 54.840 -0.166 0.000 0.783 66 L CB -0.567 41.393 42.059 -0.164 0.000 0.919 66 L HN 0.335 nan 8.230 nan 0.000 0.442 67 T N -2.900 111.468 114.554 -0.310 0.000 3.004 67 T HA 0.239 4.589 4.350 -0.000 0.000 0.243 67 T C 0.774 175.333 174.700 -0.236 0.000 1.020 67 T CA 0.175 62.039 62.100 -0.393 0.000 1.145 67 T CB 0.156 68.446 68.868 -0.962 0.000 0.876 67 T HN 0.004 nan 8.240 nan 0.000 0.449 68 I N 1.638 122.090 120.570 -0.198 0.000 2.533 68 I HA 0.515 4.685 4.170 -0.000 0.000 0.290 68 I C -1.312 174.753 176.117 -0.087 0.000 1.056 68 I CA -0.968 60.272 61.300 -0.101 0.000 1.057 68 I CB 2.170 40.137 38.000 -0.056 0.000 1.240 68 I HN 0.070 nan 8.210 nan 0.000 0.423 69 N N 4.664 123.328 118.700 -0.061 0.000 2.640 69 N HA 0.278 5.018 4.740 -0.000 0.000 0.262 69 N C -1.603 173.887 175.510 -0.032 0.000 1.174 69 N CA -0.365 52.655 53.050 -0.050 0.000 0.791 69 N CB 0.670 39.125 38.487 -0.052 0.000 1.279 69 N HN 0.508 nan 8.380 nan 0.000 0.535 70 N N 2.576 121.260 118.700 -0.026 0.000 2.581 70 N HA 0.508 5.248 4.740 -0.000 0.000 0.279 70 N C 0.608 176.110 175.510 -0.014 0.000 1.124 70 N CA 0.778 53.818 53.050 -0.017 0.000 0.833 70 N CB 0.963 39.442 38.487 -0.013 0.000 1.338 70 N HN 0.716 nan 8.380 nan 0.000 0.533 71 G N 3.188 111.980 108.800 -0.012 0.000 2.591 71 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.298 71 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.298 71 G C 0.396 175.289 174.900 -0.011 0.000 1.195 71 G CA 0.654 45.749 45.100 -0.009 0.000 0.989 71 G HN 0.875 nan 8.290 nan 0.000 0.551 75 G N -1.563 107.177 108.800 -0.100 0.000 3.410 75 G HA2 0.642 4.602 3.960 -0.000 0.000 0.189 75 G HA3 0.642 4.602 3.960 -0.000 0.000 0.189 75 G C -0.322 174.557 174.900 -0.035 0.000 1.404 75 G CA 0.422 45.472 45.100 -0.084 0.000 0.898 75 G HN 1.705 nan 8.290 nan 0.000 0.650 76 Y N -1.515 118.747 120.300 -0.063 0.000 2.662 76 Y HA 0.812 5.362 4.550 -0.000 0.000 0.335 76 Y C -0.708 175.141 175.900 -0.084 0.000 1.066 76 Y CA -1.770 56.291 58.100 -0.067 0.000 1.116 76 Y CB 1.287 39.719 38.460 -0.048 0.000 1.308 76 Y HN 0.293 nan 8.280 nan 0.000 0.502 77 I N 2.565 123.206 120.570 0.117 0.000 2.406 77 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 77 I C -0.989 175.181 176.117 0.087 0.000 0.999 77 I CA -0.919 60.379 61.300 -0.004 0.000 1.124 77 I CB 1.440 39.400 38.000 -0.067 0.000 1.289 77 I HN 0.574 nan 8.210 nan 0.000 0.441 78 N N 3.886 122.609 118.700 0.039 0.000 2.455 78 N HA 0.222 4.962 4.740 -0.000 0.000 0.280 78 N C 0.773 176.291 175.510 0.012 0.000 1.055 78 N CA -0.191 52.891 53.050 0.054 0.000 0.961 78 N CB 1.855 40.369 38.487 0.046 0.000 1.121 78 N HN 0.536 nan 8.380 nan 0.000 0.476 79 T N 0.070 114.630 114.554 0.010 0.000 2.812 79 T HA -0.073 4.277 4.350 -0.000 0.000 0.264 79 T C -0.036 174.651 174.700 -0.023 0.000 1.042 79 T CA 0.826 62.920 62.100 -0.009 0.000 1.140 79 T CB -0.157 68.701 68.868 -0.015 0.000 0.870 79 T HN 0.461 nan 8.240 nan 0.000 0.445 80 D N 0.790 121.178 120.400 -0.020 0.000 2.472 80 D HA 0.364 5.004 4.640 -0.000 0.000 0.248 80 D C 1.334 177.615 176.300 -0.032 0.000 1.174 80 D CA 1.091 55.073 54.000 -0.030 0.000 0.883 80 D CB 0.198 40.985 40.800 -0.023 0.000 1.149 80 D HN 0.382 nan 8.370 nan 0.000 0.488 81 G N 2.627 111.396 108.800 -0.052 0.000 2.179 81 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.260 81 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.260 81 G C 1.153 176.024 174.900 -0.048 0.000 0.977 81 G CA 0.278 45.344 45.100 -0.056 0.000 0.641 81 G HN 0.588 nan 8.290 nan 0.000 0.533 82 I N 0.156 120.708 120.570 -0.030 0.000 2.335 82 I HA -0.166 4.004 4.170 -0.000 0.000 0.251 82 I C 2.734 178.830 176.117 -0.035 0.000 1.129 82 I CA 2.069 63.390 61.300 0.036 0.000 1.402 82 I CB -0.112 37.918 38.000 0.049 0.000 1.069 82 I HN 0.309 nan 8.210 nan 0.000 0.424 83 R N 1.003 121.391 120.500 -0.187 0.000 2.075 83 R HA -0.230 4.110 4.340 -0.000 0.000 0.232 83 R C 2.036 178.024 176.300 -0.520 0.000 1.126 83 R CA 2.045 57.897 56.100 -0.414 0.000 0.963 83 R CB -0.518 29.468 30.300 -0.524 0.000 0.858 83 R HN 0.522 nan 8.270 nan 0.000 0.435 84 E N 0.168 120.170 120.200 -0.330 0.000 2.077 84 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 84 E C 2.080 178.645 176.600 -0.058 0.000 0.989 84 E CA 0.977 57.251 56.400 -0.210 0.000 0.800 84 E CB 0.075 29.699 29.700 -0.127 0.000 0.746 84 E HN 0.293 nan 8.360 nan 0.000 0.452 85 R N 0.063 120.563 120.500 0.001 0.000 2.092 85 R HA -0.127 4.212 4.340 -0.000 0.000 0.231 85 R C 2.562 178.902 176.300 0.065 0.000 1.119 85 R CA 1.000 57.179 56.100 0.131 0.000 0.970 85 R CB -0.398 30.045 30.300 0.238 0.000 0.864 85 R HN 0.223 nan 8.270 nan 0.000 0.440 86 L N 0.325 121.407 121.223 -0.235 0.000 2.017 86 L HA -0.122 4.217 4.340 -0.000 0.000 0.208 86 L C 1.849 178.681 176.870 -0.064 0.000 1.073 86 L CA 1.769 56.150 54.840 -0.766 0.000 0.745 86 L CB -0.518 41.144 42.059 -0.662 0.000 0.894 86 L HN -0.035 nan 8.230 nan 0.000 0.432 87 F N 0.222 120.060 119.950 -0.187 0.000 2.216 87 F HA -0.041 4.486 4.527 -0.000 0.000 0.300 87 F C 2.561 178.336 175.800 -0.041 0.000 1.085 87 F CA 0.748 58.690 58.000 -0.096 0.000 1.326 87 F CB -1.547 37.405 39.000 -0.080 0.000 1.027 87 F HN 0.239 nan 8.300 nan 0.000 0.497 88 A N -0.932 121.998 122.820 0.184 0.000 1.968 88 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 88 A C 2.097 179.762 177.584 0.136 0.000 1.169 88 A CA 0.855 52.969 52.037 0.129 0.000 0.638 88 A CB -1.254 17.817 19.000 0.118 0.000 0.812 88 A HN 0.349 nan 8.150 nan 0.000 0.446 89 F N 0.552 120.506 119.950 0.007 0.000 2.206 89 F HA 0.170 4.697 4.527 -0.000 0.000 0.298 89 F C 0.686 176.480 175.800 -0.011 0.000 1.090 89 F CA 0.440 58.455 58.000 0.025 0.000 1.323 89 F CB -0.138 38.899 39.000 0.062 0.000 1.028 89 F HN 0.030 nan 8.300 nan 0.000 0.492 90 L N 0.765 121.999 121.223 0.019 0.000 2.466 90 L HA 0.148 4.488 4.340 -0.000 0.000 0.257 90 L C -0.502 176.290 176.870 -0.130 0.000 1.189 90 L CA -0.141 54.646 54.840 -0.088 0.000 0.813 90 L CB 0.227 42.263 42.059 -0.038 0.000 1.118 90 L HN -0.014 nan 8.230 nan 0.000 0.471 91 D N 1.120 121.443 120.400 -0.129 0.000 2.468 91 D HA 0.213 4.852 4.640 -0.000 0.000 0.272 91 D C -1.810 174.443 176.300 -0.079 0.000 1.221 91 D CA -1.715 52.222 54.000 -0.105 0.000 0.860 91 D CB 1.035 41.765 40.800 -0.117 0.000 1.190 91 D HN 0.095 nan 8.370 nan 0.000 0.509 92 P HA -0.089 nan 4.420 nan 0.000 0.220 92 P C 0.684 177.957 177.300 -0.044 0.000 1.148 92 P CA 0.727 63.786 63.100 -0.067 0.000 0.803 92 P CB 0.668 32.309 31.700 -0.099 0.000 0.782 93 D N -0.152 120.222 120.400 -0.044 0.000 2.178 93 D HA -0.088 4.551 4.640 -0.000 0.000 0.202 93 D C 1.997 178.281 176.300 -0.025 0.000 0.974 93 D CA 1.094 55.076 54.000 -0.031 0.000 0.841 93 D CB -0.119 40.664 40.800 -0.029 0.000 0.953 93 D HN 0.253 nan 8.370 nan 0.000 0.478 94 K N -0.172 120.209 120.400 -0.032 0.000 2.141 94 K HA 0.063 4.382 4.320 -0.000 0.000 0.202 94 K C 0.070 176.658 176.600 -0.020 0.000 1.045 94 K CA 0.307 56.578 56.287 -0.027 0.000 0.971 94 K CB 0.384 32.863 32.500 -0.036 0.000 0.795 94 K HN 0.032 nan 8.250 nan 0.000 0.459 95 N N 2.182 120.868 118.700 -0.023 0.000 2.444 95 N HA 0.036 4.776 4.740 -0.000 0.000 0.262 95 N C -0.378 175.135 175.510 0.004 0.000 0.974 95 N CA -0.056 52.989 53.050 -0.009 0.000 0.933 95 N CB 1.701 40.181 38.487 -0.012 0.000 1.137 95 N HN -0.007 nan 8.380 nan 0.000 0.498 96 D N 1.888 122.295 120.400 0.011 0.000 2.158 96 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 96 D C 1.136 177.470 176.300 0.057 0.000 0.995 96 D CA 1.656 55.670 54.000 0.024 0.000 0.846 96 D CB 0.328 41.133 40.800 0.009 0.000 0.941 96 D HN 0.563 nan 8.370 nan 0.000 0.456 97 E N 0.543 120.774 120.200 0.052 0.000 2.085 97 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 97 E C 1.647 178.345 176.600 0.164 0.000 0.994 97 E CA 1.248 57.713 56.400 0.109 0.000 0.801 97 E CB -0.150 29.601 29.700 0.085 0.000 0.743 97 E HN 0.316 nan 8.360 nan 0.000 0.453 98 D N 0.083 120.526 120.400 0.073 0.000 2.097 98 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 98 D C 1.809 178.093 176.300 -0.027 0.000 0.984 98 D CA 1.235 55.245 54.000 0.017 0.000 0.826 98 D CB -0.254 40.529 40.800 -0.028 0.000 0.973 98 D HN 0.017 nan 8.370 nan 0.000 0.460 99 K N 0.380 120.776 120.400 -0.007 0.000 2.032 99 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 99 K C 1.953 178.562 176.600 0.016 0.000 1.048 99 K CA 0.954 57.226 56.287 -0.025 0.000 0.927 99 K CB -0.735 31.768 32.500 0.005 0.000 0.712 99 K HN 0.135 nan 8.250 nan 0.000 0.441 100 F N 0.978 120.897 119.950 -0.051 0.000 2.095 100 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 100 F C 1.577 177.372 175.800 -0.008 0.000 1.104 100 F CA 1.581 59.561 58.000 -0.032 0.000 1.232 100 F CB -0.376 38.601 39.000 -0.039 0.000 0.987 100 F HN 0.034 nan 8.300 nan 0.000 0.475 101 L N -0.054 121.052 121.223 -0.196 0.000 2.079 101 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 101 L C 2.480 179.244 176.870 -0.177 0.000 1.081 101 L CA 1.451 56.152 54.840 -0.232 0.000 0.752 101 L CB -0.580 41.472 42.059 -0.011 0.000 0.896 101 L HN 0.247 nan 8.230 nan 0.000 0.433 102 I N -0.671 119.736 120.570 -0.271 0.000 2.193 102 I HA -0.248 3.922 4.170 -0.000 0.000 0.240 102 I C 2.090 178.104 176.117 -0.172 0.000 1.084 102 I CA 1.012 62.050 61.300 -0.437 0.000 1.365 102 I CB -0.414 37.154 38.000 -0.721 0.000 1.064 102 I HN 0.211 nan 8.210 nan 0.000 0.410 103 D N 1.387 121.703 120.400 -0.140 0.000 2.123 103 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 103 D C 2.230 178.515 176.300 -0.026 0.000 0.992 103 D CA 1.699 55.671 54.000 -0.046 0.000 0.833 103 D CB -0.254 40.538 40.800 -0.013 0.000 0.954 103 D HN 0.361 nan 8.370 nan 0.000 0.455 104 A N 0.549 123.259 122.820 -0.184 0.000 1.902 104 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 104 A C 2.554 180.222 177.584 0.140 0.000 1.181 104 A CA 1.264 53.234 52.037 -0.111 0.000 0.623 104 A CB -0.719 17.992 19.000 -0.482 0.000 0.818 104 A HN 0.155 nan 8.150 nan 0.000 0.443 105 V N 0.972 120.939 119.914 0.090 0.000 2.358 105 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 105 V C 2.262 178.401 176.094 0.077 0.000 1.047 105 V CA 2.083 64.383 62.300 0.000 0.000 1.035 105 V CB -0.949 30.908 31.823 0.057 0.000 0.658 105 V HN 0.542 nan 8.190 nan 0.000 0.452 106 N N -0.617 118.170 118.700 0.145 0.000 2.188 106 N HA -0.181 4.559 4.740 -0.000 0.000 0.184 106 N C 1.745 177.358 175.510 0.171 0.000 1.018 106 N CA 1.569 54.715 53.050 0.160 0.000 0.858 106 N CB -0.486 38.089 38.487 0.147 0.000 0.989 106 N HN 0.640 nan 8.380 nan 0.000 0.426 107 Y N 1.334 121.661 120.300 0.045 0.000 2.181 107 Y HA -0.224 4.326 4.550 -0.000 0.000 0.288 107 Y C 2.429 178.339 175.900 0.017 0.000 1.146 107 Y CA 1.257 59.375 58.100 0.030 0.000 1.164 107 Y CB -0.498 37.984 38.460 0.037 0.000 0.982 107 Y HN 0.040 nan 8.280 nan 0.000 0.515 108 C N -0.405 119.036 119.300 0.235 0.000 2.413 108 C HA -0.203 4.257 4.460 -0.000 0.000 0.277 108 C C 2.583 177.575 174.990 0.003 0.000 1.265 108 C CA 1.769 60.852 59.018 0.109 0.000 1.752 108 C CB -1.583 26.192 27.740 0.058 0.000 1.998 108 C HN 0.730 nan 8.230 nan 0.000 0.489 109 H N 1.039 120.064 119.070 -0.075 0.000 2.317 109 H HA -0.087 4.469 4.556 -0.000 0.000 0.304 109 H C 2.434 177.693 175.328 -0.115 0.000 1.067 109 H CA 2.527 58.520 56.048 -0.092 0.000 1.352 109 H CB -0.316 29.403 29.762 -0.072 0.000 1.398 109 H HN 0.503 nan 8.280 nan 0.000 0.510 110 T N -2.070 112.371 114.554 -0.189 0.000 3.014 110 T HA 0.000 4.350 4.350 -0.000 0.000 0.263 110 T C 1.427 175.938 174.700 -0.315 0.000 1.078 110 T CA 0.977 62.919 62.100 -0.264 0.000 1.135 110 T CB 0.146 68.943 68.868 -0.119 0.000 0.895 110 T HN 0.285 nan 8.240 nan 0.000 0.480 111 E N 0.894 120.831 120.200 -0.438 0.000 2.290 111 E HA 0.309 4.659 4.350 -0.000 0.000 0.197 111 E C 1.960 178.286 176.600 -0.457 0.000 0.948 111 E CA 0.331 56.404 56.400 -0.545 0.000 0.895 111 E CB 0.149 29.186 29.700 -1.104 0.000 0.865 111 E HN 0.476 nan 8.360 nan 0.000 0.486 112 L N -0.168 120.825 121.223 -0.384 0.000 2.664 112 L HA 0.298 4.638 4.340 -0.000 0.000 0.233 112 L C 1.000 177.761 176.870 -0.182 0.000 1.113 112 L CA 0.281 54.948 54.840 -0.289 0.000 0.896 112 L CB 0.224 42.179 42.059 -0.173 0.000 1.163 112 L HN 0.158 nan 8.230 nan 0.000 0.497 113 G N 1.614 110.289 108.800 -0.209 0.000 2.249 113 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.273 113 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.273 113 G C 0.058 174.900 174.900 -0.096 0.000 1.036 113 G CA 0.178 45.166 45.100 -0.187 0.000 0.824 113 G HN 0.246 nan 8.290 nan 0.000 0.504 114 L N -0.241 120.953 121.223 -0.049 0.000 2.360 114 L HA 0.409 4.749 4.340 -0.000 0.000 0.271 114 L C 0.834 177.747 176.870 0.071 0.000 1.057 114 L CA -1.139 53.700 54.840 -0.000 0.000 0.803 114 L CB 1.095 43.144 42.059 -0.018 0.000 1.207 114 L HN 0.213 nan 8.230 nan 0.000 0.445 115 N N 1.622 120.334 118.700 0.019 0.000 2.470 115 N HA 0.080 4.819 4.740 -0.000 0.000 0.268 115 N C 0.761 176.210 175.510 -0.101 0.000 1.136 115 N CA -0.032 53.014 53.050 -0.008 0.000 0.961 115 N CB 1.092 39.559 38.487 -0.033 0.000 1.067 115 N HN 0.570 nan 8.380 nan 0.000 0.468 116 R N 2.437 122.836 120.500 -0.169 0.000 2.092 116 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 116 R C 0.615 176.759 176.300 -0.260 0.000 1.119 116 R CA 1.143 57.089 56.100 -0.257 0.000 0.970 116 R CB 0.051 30.141 30.300 -0.349 0.000 0.864 116 R HN 0.586 nan 8.270 nan 0.000 0.440 117 D N 0.691 120.965 120.400 -0.209 0.000 2.144 117 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 117 D C 1.660 177.874 176.300 -0.143 0.000 0.978 117 D CA 1.211 55.111 54.000 -0.167 0.000 0.833 117 D CB 0.054 40.780 40.800 -0.124 0.000 0.961 117 D HN 0.186 nan 8.370 nan 0.000 0.470 118 K N 0.132 120.450 120.400 -0.136 0.000 2.062 118 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 118 K C 2.147 178.645 176.600 -0.171 0.000 1.051 118 K CA 0.438 56.657 56.287 -0.113 0.000 0.941 118 K CB 0.065 32.519 32.500 -0.077 0.000 0.719 118 K HN -0.031 nan 8.250 nan 0.000 0.440 119 V N 1.010 120.760 119.914 -0.274 0.000 2.307 119 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 119 V C 2.251 177.923 176.094 -0.703 0.000 1.045 119 V CA 1.459 63.445 62.300 -0.523 0.000 1.024 119 V CB -0.266 31.183 31.823 -0.624 0.000 0.651 119 V HN 0.072 nan 8.190 nan 0.000 0.449 120 V N 0.343 119.971 119.914 -0.476 0.000 2.295 120 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 120 V C 2.721 178.769 176.094 -0.076 0.000 1.049 120 V CA 2.024 64.160 62.300 -0.273 0.000 1.024 120 V CB -1.148 30.572 31.823 -0.171 0.000 0.648 120 V HN 0.554 nan 8.190 nan 0.000 0.447 121 A N -0.285 122.493 122.820 -0.071 0.000 1.933 121 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 121 A C 2.275 179.876 177.584 0.029 0.000 1.175 121 A CA 2.071 54.106 52.037 -0.003 0.000 0.628 121 A CB -0.511 18.479 19.000 -0.018 0.000 0.814 121 A HN 0.678 nan 8.150 nan 0.000 0.444 122 E N -1.340 118.863 120.200 0.006 0.000 2.077 122 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 122 E C 1.725 178.476 176.600 0.252 0.000 0.989 122 E CA 1.412 57.868 56.400 0.094 0.000 0.800 122 E CB -0.236 29.508 29.700 0.074 0.000 0.746 122 E HN 0.731 nan 8.360 nan 0.000 0.452 123 W N 0.325 121.631 121.300 0.009 0.000 2.381 123 W HA -0.066 4.594 4.660 -0.000 0.000 0.301 123 W C 2.249 178.757 176.519 -0.019 0.000 1.205 123 W CA 0.463 57.807 57.345 -0.001 0.000 1.285 123 W CB -0.965 28.489 29.460 -0.010 0.000 1.133 123 W HN 0.040 nan 8.180 nan 0.000 0.521 124 V N 0.761 120.812 119.914 0.228 0.000 2.302 124 V HA -0.240 3.880 4.120 -0.000 0.000 0.243 124 V C 2.191 178.306 176.094 0.036 0.000 1.036 124 V CA 1.829 64.197 62.300 0.113 0.000 1.020 124 V CB -0.981 30.941 31.823 0.164 0.000 0.657 124 V HN 0.094 nan 8.190 nan 0.000 0.453 125 N N 1.054 119.783 118.700 0.049 0.000 2.205 125 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 125 N C 1.852 177.390 175.510 0.047 0.000 1.015 125 N CA 1.745 54.813 53.050 0.031 0.000 0.862 125 N CB -0.489 38.021 38.487 0.039 0.000 0.986 125 N HN 0.554 nan 8.380 nan 0.000 0.429 126 G N 0.312 109.164 108.800 0.086 0.000 2.403 126 G HA2 -0.063 3.896 3.960 -0.000 0.000 0.216 126 G HA3 -0.063 3.896 3.960 -0.000 0.000 0.216 126 G C 1.654 176.622 174.900 0.112 0.000 1.154 126 G CA 0.942 46.106 45.100 0.107 0.000 0.784 126 G HN 0.431 nan 8.290 nan 0.000 0.538 127 A N 0.195 123.038 122.820 0.038 0.000 1.872 127 A HA 0.177 4.497 4.320 -0.000 0.000 0.214 127 A C 2.546 180.094 177.584 -0.061 0.000 1.187 127 A CA 1.520 53.489 52.037 -0.112 0.000 0.614 127 A CB -0.613 18.014 19.000 -0.622 0.000 0.826 127 A HN 0.207 nan 8.150 nan 0.000 0.442 128 V N -0.804 119.068 119.914 -0.070 0.000 2.392 128 V HA -0.040 4.079 4.120 -0.000 0.000 0.249 128 V C 1.728 177.828 176.094 0.010 0.000 1.059 128 V CA 1.385 63.659 62.300 -0.043 0.000 1.051 128 V CB -1.436 30.349 31.823 -0.062 0.000 0.658 128 V HN 1.486 nan 8.190 nan 0.000 0.455 129 A N 1.360 124.198 122.820 0.030 0.000 2.815 129 A HA -0.181 4.139 4.320 -0.000 0.000 0.292 129 A C 0.886 178.464 177.584 -0.009 0.000 1.457 129 A CA 0.804 52.863 52.037 0.038 0.000 0.735 129 A CB -2.174 16.871 19.000 0.075 0.000 1.056 129 A HN 0.870 nan 8.150 nan 0.000 0.474 130 N N -0.136 118.556 118.700 -0.013 0.000 2.336 130 N HA 0.248 4.988 4.740 -0.000 0.000 0.189 130 N C 0.021 175.500 175.510 -0.053 0.000 1.113 130 N CA 0.654 53.686 53.050 -0.030 0.000 0.858 130 N CB 0.138 38.621 38.487 -0.007 0.000 0.970 130 N HN 0.649 nan 8.380 nan 0.000 0.471 131 N N -0.816 117.849 118.700 -0.058 0.000 2.331 131 N HA 0.257 4.997 4.740 -0.000 0.000 0.280 131 N C -1.598 173.872 175.510 -0.066 0.000 1.155 131 N CA -0.722 52.296 53.050 -0.054 0.000 0.822 131 N CB 0.827 39.324 38.487 0.018 0.000 1.619 131 N HN -0.073 nan 8.380 nan 0.000 0.476 132 Y N 1.093 121.409 120.300 0.027 0.000 2.652 132 Y HA 0.127 4.677 4.550 -0.000 0.000 0.344 132 Y C -1.435 174.486 175.900 0.035 0.000 1.254 132 Y CA -0.362 57.757 58.100 0.031 0.000 1.480 132 Y CB -0.018 38.453 38.460 0.019 0.000 1.345 132 Y HN 0.401 nan 8.280 nan 0.000 0.617 133 P HA 0.076 nan 4.420 nan 0.000 0.263 133 P C -1.251 176.119 177.300 0.116 0.000 1.195 133 P CA 0.329 63.517 63.100 0.147 0.000 0.762 133 P CB 0.421 32.211 31.700 0.149 0.000 0.799 134 V N 6.135 126.102 119.914 0.088 0.000 2.567 134 V HA 0.297 4.417 4.120 -0.000 0.000 0.298 134 V C -2.131 173.993 176.094 0.049 0.000 1.047 134 V CA -1.666 60.666 62.300 0.053 0.000 0.880 134 V CB 1.805 33.654 31.823 0.043 0.000 1.009 134 V HN 0.458 nan 8.190 nan 0.000 0.429 135 P HA 0.253 nan 4.420 nan 0.000 0.273 135 P C 0.506 177.820 177.300 0.024 0.000 1.250 135 P CA -0.243 62.865 63.100 0.014 0.000 0.793 135 P CB 0.829 32.539 31.700 0.016 0.000 1.011 136 D N 0.215 120.597 120.400 -0.030 0.000 2.104 136 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 136 D C 1.825 178.158 176.300 0.055 0.000 0.994 136 D CA 1.419 55.402 54.000 -0.028 0.000 0.830 136 D CB -0.108 40.565 40.800 -0.211 0.000 0.959 136 D HN 0.442 nan 8.370 nan 0.000 0.452 137 R N -0.606 119.916 120.500 0.037 0.000 2.062 137 R HA -0.037 4.303 4.340 -0.000 0.000 0.231 137 R C 0.180 176.628 176.300 0.247 0.000 1.136 137 R CA 1.013 57.168 56.100 0.092 0.000 0.948 137 R CB 0.171 30.471 30.300 -0.001 0.000 0.845 137 R HN 0.222 nan 8.270 nan 0.000 0.430 138 C N -0.092 119.308 119.300 0.167 0.000 3.006 138 C HA 0.366 4.826 4.460 -0.000 0.000 0.359 138 C C -0.915 174.152 174.990 0.129 0.000 1.103 138 C CA -1.283 57.836 59.018 0.169 0.000 1.286 138 C CB 0.994 28.839 27.740 0.176 0.000 1.694 138 C HN 0.401 nan 8.230 nan 0.000 0.511 139 L N 5.050 126.349 121.223 0.127 0.000 2.490 139 L HA 0.125 4.465 4.340 -0.000 0.000 0.274 139 L C 1.761 178.702 176.870 0.119 0.000 1.201 139 L CA 0.078 54.988 54.840 0.117 0.000 0.869 139 L CB 0.870 43.006 42.059 0.127 0.000 1.123 139 L HN 0.797 nan 8.230 nan 0.000 0.484 140 V N 0.446 120.419 119.914 0.100 0.000 2.407 140 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 140 V C 1.768 177.930 176.094 0.113 0.000 1.055 140 V CA 1.799 64.158 62.300 0.097 0.000 1.049 140 V CB -0.535 31.331 31.823 0.071 0.000 0.662 140 V HN 0.883 nan 8.190 nan 0.000 0.455 141 N N 0.568 119.337 118.700 0.116 0.000 2.207 141 N HA -0.094 4.646 4.740 -0.000 0.000 0.182 141 N C 1.956 177.587 175.510 0.201 0.000 1.020 141 N CA 1.975 55.104 53.050 0.132 0.000 0.858 141 N CB -0.489 38.044 38.487 0.078 0.000 0.991 141 N HN 0.538 nan 8.380 nan 0.000 0.427 142 T N 1.443 116.129 114.554 0.221 0.000 2.759 142 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 142 T C 1.767 176.582 174.700 0.191 0.000 1.042 142 T CA 1.176 63.404 62.100 0.212 0.000 1.140 142 T CB -0.101 68.864 68.868 0.161 0.000 0.864 142 T HN 0.380 nan 8.240 nan 0.000 0.455 143 E N 0.723 121.029 120.200 0.177 0.000 2.051 143 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 143 E C 2.286 179.011 176.600 0.209 0.000 0.991 143 E CA 1.207 57.714 56.400 0.178 0.000 0.799 143 E CB -0.053 29.740 29.700 0.155 0.000 0.748 143 E HN 0.373 nan 8.360 nan 0.000 0.449 144 K N 0.302 120.834 120.400 0.220 0.000 2.057 144 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 144 K C 2.140 178.957 176.600 0.362 0.000 1.049 144 K CA 1.321 57.780 56.287 0.286 0.000 0.931 144 K CB -0.099 32.544 32.500 0.239 0.000 0.714 144 K HN 0.153 nan 8.250 nan 0.000 0.440 145 I N 0.894 121.646 120.570 0.302 0.000 2.179 145 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 145 I C 2.167 178.487 176.117 0.340 0.000 1.088 145 I CA 1.300 62.792 61.300 0.320 0.000 1.357 145 I CB -0.184 37.984 38.000 0.280 0.000 1.051 145 I HN 0.174 nan 8.210 nan 0.000 0.409 146 I N 0.354 121.096 120.570 0.288 0.000 2.252 146 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 146 I C 2.252 178.544 176.117 0.292 0.000 1.102 146 I CA 1.045 62.539 61.300 0.324 0.000 1.385 146 I CB -0.618 37.552 38.000 0.284 0.000 1.064 146 I HN 0.286 nan 8.210 nan 0.000 0.414 147 N N 0.553 119.391 118.700 0.230 0.000 2.094 147 N HA -0.232 4.508 4.740 -0.000 0.000 0.191 147 N C 1.844 177.361 175.510 0.011 0.000 1.023 147 N CA 1.797 54.921 53.050 0.123 0.000 0.857 147 N CB -0.336 38.223 38.487 0.121 0.000 1.013 147 N HN 0.395 nan 8.380 nan 0.000 0.426 148 Y N -0.635 119.754 120.300 0.148 0.000 2.337 148 Y HA -0.059 4.491 4.550 -0.000 0.000 0.293 148 Y C 2.070 178.036 175.900 0.110 0.000 1.123 148 Y CA 0.499 58.677 58.100 0.130 0.000 1.201 148 Y CB -0.368 38.211 38.460 0.198 0.000 1.011 148 Y HN 0.014 nan 8.280 nan 0.000 0.545 149 F N 0.227 120.272 119.950 0.158 0.000 2.102 149 F HA -0.217 4.309 4.527 -0.000 0.000 0.298 149 F C 1.753 177.464 175.800 -0.148 0.000 1.105 149 F CA 1.559 59.611 58.000 0.087 0.000 1.239 149 F CB -0.750 38.319 39.000 0.115 0.000 0.991 149 F HN -0.088 nan 8.300 nan 0.000 0.474 150 L N 0.270 121.149 121.223 -0.574 0.000 2.012 150 L HA -0.264 4.075 4.340 -0.000 0.000 0.210 150 L C 2.733 178.936 176.870 -1.111 0.000 1.073 150 L CA 1.984 56.319 54.840 -0.842 0.000 0.748 150 L CB -1.016 40.758 42.059 -0.475 0.000 0.891 150 L HN 0.340 nan 8.230 nan 0.000 0.431 151 Q N 0.268 119.366 119.800 -1.170 0.000 2.061 151 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 151 Q C 2.061 177.761 176.000 -0.500 0.000 0.984 151 Q CA 1.958 57.032 55.803 -1.215 0.000 0.846 151 Q CB -0.010 28.411 28.738 -0.528 0.000 0.902 151 Q HN 0.490 nan 8.270 nan 0.000 0.421 152 E N -0.012 120.029 120.200 -0.265 0.000 2.031 152 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 152 E C 2.113 178.657 176.600 -0.092 0.000 0.994 152 E CA 1.167 57.538 56.400 -0.047 0.000 0.800 152 E CB -0.143 29.660 29.700 0.172 0.000 0.752 152 E HN 0.306 nan 8.360 nan 0.000 0.447 153 L N 0.618 121.636 121.223 -0.342 0.000 2.083 153 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 153 L C 2.096 178.894 176.870 -0.120 0.000 1.083 153 L CA 2.107 56.720 54.840 -0.378 0.000 0.752 153 L CB -0.005 41.556 42.059 -0.831 0.000 0.899 153 L HN 0.113 nan 8.230 nan 0.000 0.433 154 S N -4.414 111.224 115.700 -0.104 0.000 2.744 154 S HA 0.113 4.583 4.470 -0.000 0.000 0.265 154 S C 1.045 175.807 174.600 0.269 0.000 1.065 154 S CA -0.412 57.912 58.200 0.205 0.000 1.191 154 S CB -0.342 63.084 63.200 0.378 0.000 1.150 154 S HN 0.238 nan 8.310 nan 0.000 0.646 155 Y N 2.361 122.667 120.300 0.010 0.000 2.462 155 Y HA 0.465 5.015 4.550 -0.000 0.000 0.261 155 Y C 1.413 177.304 175.900 -0.015 0.000 1.146 155 Y CA -1.045 57.057 58.100 0.003 0.000 1.283 155 Y CB -0.430 38.044 38.460 0.024 0.000 1.090 155 Y HN 0.023 nan 8.280 nan 0.000 0.526 156 K N -0.072 120.405 120.400 0.128 0.000 1.751 156 K HA -0.274 4.045 4.320 -0.000 0.000 0.134 156 K C 0.428 177.074 176.600 0.077 0.000 1.167 156 K CA 1.852 58.182 56.287 0.073 0.000 0.330 156 K CB -1.494 31.027 32.500 0.036 0.000 0.663 156 K HN 0.224 nan 8.250 nan 0.000 0.817 157 D N 1.255 121.687 120.400 0.052 0.000 2.349 157 D HA 0.166 4.806 4.640 -0.000 0.000 0.224 157 D C 0.278 176.607 176.300 0.048 0.000 1.029 157 D CA 0.795 54.823 54.000 0.046 0.000 0.879 157 D CB -0.084 40.731 40.800 0.025 0.000 0.906 157 D HN 0.500 nan 8.370 nan 0.000 0.528 158 A N 1.306 124.160 122.820 0.057 0.000 2.444 158 A HA 0.096 4.416 4.320 -0.000 0.000 0.273 158 A C 0.372 178.011 177.584 0.091 0.000 1.136 158 A CA -0.256 51.803 52.037 0.035 0.000 0.799 158 A CB -0.160 18.824 19.000 -0.027 0.000 1.081 158 A HN -0.077 nan 8.150 nan 0.000 0.509 159 N N 2.988 121.723 118.700 0.058 0.000 2.482 159 N HA 0.348 5.088 4.740 -0.000 0.000 0.242 159 N C 0.048 175.595 175.510 0.061 0.000 1.100 159 N CA -0.100 52.993 53.050 0.071 0.000 0.946 159 N CB 0.039 38.560 38.487 0.057 0.000 1.227 159 N HN 0.604 nan 8.380 nan 0.000 0.508 160 L N 1.731 123.022 121.223 0.113 0.000 3.039 160 L HA 0.347 4.687 4.340 -0.000 0.000 0.269 160 L C 1.862 178.820 176.870 0.147 0.000 1.169 160 L CA 0.009 54.916 54.840 0.111 0.000 0.986 160 L CB 0.097 42.185 42.059 0.048 0.000 1.377 160 L HN 0.420 nan 8.230 nan 0.000 0.575 161 A N 0.298 123.141 122.820 0.038 0.000 1.972 161 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 161 A C 1.999 179.540 177.584 -0.072 0.000 1.169 161 A CA 1.428 53.368 52.037 -0.161 0.000 0.635 161 A CB -0.129 18.346 19.000 -0.876 0.000 0.810 161 A HN 0.288 nan 8.150 nan 0.000 0.446 162 E N -0.698 119.504 120.200 0.002 0.000 2.481 162 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 162 E C 0.660 177.317 176.600 0.095 0.000 1.047 162 E CA 0.604 57.058 56.400 0.091 0.000 0.867 162 E CB 0.127 29.894 29.700 0.112 0.000 0.858 162 E HN 0.738 nan 8.360 nan 0.000 0.513 163 Q N -0.504 119.355 119.800 0.098 0.000 2.135 163 Q HA 0.170 4.510 4.340 -0.000 0.000 0.231 163 Q C -0.700 175.386 176.000 0.143 0.000 0.817 163 Q CA 0.081 55.949 55.803 0.109 0.000 1.073 163 Q CB 1.573 30.368 28.738 0.095 0.000 1.176 163 Q HN -0.123 nan 8.270 nan 0.000 0.478 164 T N 0.654 115.297 114.554 0.148 0.000 2.829 164 T HA 0.405 4.755 4.350 -0.000 0.000 0.280 164 T C -0.872 173.895 174.700 0.112 0.000 0.999 164 T CA -0.798 61.395 62.100 0.155 0.000 0.983 164 T CB 1.410 70.383 68.868 0.175 0.000 0.968 164 T HN -0.057 nan 8.240 nan 0.000 0.446 165 D N 2.527 122.983 120.400 0.093 0.000 2.192 165 D HA 0.503 5.143 4.640 -0.000 0.000 0.246 165 D C -0.367 175.983 176.300 0.085 0.000 1.042 165 D CA -0.350 53.703 54.000 0.089 0.000 0.847 165 D CB 1.793 42.640 40.800 0.078 0.000 1.186 165 D HN 0.312 nan 8.370 nan 0.000 0.461 166 L N 1.575 122.868 121.223 0.117 0.000 2.346 166 L HA 0.506 4.845 4.340 -0.000 0.000 0.274 166 L C -0.809 176.202 176.870 0.236 0.000 1.007 166 L CA -1.042 53.886 54.840 0.146 0.000 0.818 166 L CB 1.797 43.945 42.059 0.148 0.000 1.284 166 L HN 0.247 nan 8.230 nan 0.000 0.424 167 F N 4.826 124.808 119.950 0.054 0.000 2.646 167 F HA 0.552 5.078 4.527 -0.001 0.000 0.364 167 F C -2.615 173.247 175.800 0.103 0.000 1.137 167 F CA -3.084 54.954 58.000 0.062 0.000 1.085 167 F CB 1.154 40.166 39.000 0.020 0.000 1.331 167 F HN 0.134 nan 8.300 nan 0.000 0.472 168 P HA 0.240 nan 4.420 nan 0.000 0.268 168 P C -0.536 176.562 177.300 -0.336 0.000 1.204 168 P CA 0.329 63.376 63.100 -0.088 0.000 0.768 168 P CB 0.962 32.697 31.700 0.058 0.000 0.842 169 T N -1.328 113.085 114.554 -0.235 0.000 2.887 169 T HA 0.434 4.784 4.350 -0.000 0.000 0.292 169 T C -0.213 174.451 174.700 -0.060 0.000 1.087 169 T CA -0.927 61.054 62.100 -0.197 0.000 1.009 169 T CB 0.944 69.653 68.868 -0.265 0.000 1.203 169 T HN 0.036 nan 8.240 nan 0.000 0.518 170 E N 1.323 121.501 120.200 -0.037 0.000 2.222 170 E HA 0.496 4.846 4.350 -0.000 0.000 0.312 170 E C 0.973 177.545 176.600 -0.046 0.000 1.263 170 E CA 0.794 57.188 56.400 -0.011 0.000 1.356 170 E CB -0.794 28.913 29.700 0.011 0.000 1.180 170 E HN 1.166 nan 8.360 nan 0.000 0.494 171 G N 0.155 108.940 108.800 -0.025 0.000 2.829 171 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.628 171 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.628 171 G C 0.903 175.758 174.900 -0.074 0.000 1.412 171 G CA -0.638 44.445 45.100 -0.029 0.000 0.864 171 G HN 0.529 nan 8.290 nan 0.000 0.544 172 G N -1.163 107.595 108.800 -0.071 0.000 2.498 172 G HA2 0.077 4.037 3.960 -0.000 0.000 0.219 172 G HA3 0.077 4.037 3.960 -0.000 0.000 0.219 172 G C 1.772 176.645 174.900 -0.045 0.000 1.119 172 G CA 2.338 47.396 45.100 -0.071 0.000 0.766 172 G HN 1.151 nan 8.290 nan 0.000 0.552 173 T N 1.566 116.106 114.554 -0.024 0.000 2.643 173 T HA -0.037 4.313 4.350 -0.000 0.000 0.264 173 T C 2.861 177.488 174.700 -0.121 0.000 1.045 173 T CA 1.637 63.738 62.100 0.001 0.000 1.155 173 T CB -0.417 68.460 68.868 0.014 0.000 0.863 173 T HN 0.365 nan 8.240 nan 0.000 0.420 174 A N 1.358 124.038 122.820 -0.233 0.000 1.933 174 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 174 A C 2.628 179.788 177.584 -0.706 0.000 1.175 174 A CA 1.923 53.628 52.037 -0.553 0.000 0.628 174 A CB -1.120 17.531 19.000 -0.582 0.000 0.814 174 A HN 0.514 nan 8.150 nan 0.000 0.444 175 A N 0.085 122.684 122.820 -0.368 0.000 1.883 175 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 175 A C 2.053 179.566 177.584 -0.119 0.000 1.186 175 A CA 1.707 53.624 52.037 -0.200 0.000 0.624 175 A CB -0.503 18.425 19.000 -0.120 0.000 0.822 175 A HN 0.417 nan 8.150 nan 0.000 0.444 176 I N -0.223 120.266 120.570 -0.136 0.000 2.252 176 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 176 I C 2.549 178.704 176.117 0.063 0.000 1.102 176 I CA 1.137 62.367 61.300 -0.117 0.000 1.385 176 I CB -1.225 36.581 38.000 -0.322 0.000 1.064 176 I HN 0.139 nan 8.210 nan 0.000 0.414 177 V N 0.549 120.470 119.914 0.012 0.000 2.287 177 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 177 V C 2.473 178.713 176.094 0.243 0.000 1.053 177 V CA 1.875 64.234 62.300 0.098 0.000 1.027 177 V CB -0.835 30.965 31.823 -0.039 0.000 0.646 177 V HN 0.232 nan 8.190 nan 0.000 0.447 178 Y N 0.608 120.986 120.300 0.130 0.000 2.145 178 Y HA -0.124 4.426 4.550 -0.001 0.000 0.286 178 Y C 2.566 178.542 175.900 0.125 0.000 1.145 178 Y CA 0.681 58.874 58.100 0.156 0.000 1.148 178 Y CB -1.600 36.950 38.460 0.150 0.000 0.981 178 Y HN 0.202 nan 8.280 nan 0.000 0.507 179 A N 0.057 122.999 122.820 0.204 0.000 1.873 179 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 179 A C 2.113 179.730 177.584 0.056 0.000 1.193 179 A CA 2.040 54.099 52.037 0.037 0.000 0.629 179 A CB -1.397 17.513 19.000 -0.150 0.000 0.826 179 A HN 0.352 nan 8.150 nan 0.000 0.447 180 F N -0.943 119.109 119.950 0.169 0.000 2.186 180 F HA -0.111 4.416 4.527 0.000 0.000 0.299 180 F C 2.331 178.283 175.800 0.254 0.000 1.090 180 F CA 1.551 59.672 58.000 0.202 0.000 1.307 180 F CB -0.621 38.487 39.000 0.181 0.000 1.019 180 F HN 0.495 nan 8.300 nan 0.000 0.489 181 H N -0.927 118.338 119.070 0.326 0.000 2.299 181 H HA -0.129 4.427 4.556 -0.000 0.000 0.302 181 H C 2.265 177.706 175.328 0.188 0.000 1.078 181 H CA 1.607 57.794 56.048 0.232 0.000 1.323 181 H CB 0.042 29.925 29.762 0.201 0.000 1.381 181 H HN 0.118 nan 8.280 nan 0.000 0.498 182 S N 0.585 116.311 115.700 0.044 0.000 2.399 182 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 182 S C 2.366 177.111 174.600 0.242 0.000 1.022 182 S CA 0.847 59.044 58.200 -0.006 0.000 0.983 182 S CB -0.137 62.970 63.200 -0.154 0.000 0.803 182 S HN 0.313 nan 8.310 nan 0.000 0.480 183 L N 0.858 122.257 121.223 0.294 0.000 2.056 183 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 183 L C 2.733 179.695 176.870 0.155 0.000 1.078 183 L CA 1.201 56.185 54.840 0.240 0.000 0.749 183 L CB -0.611 41.556 42.059 0.179 0.000 0.901 183 L HN 0.307 nan 8.230 nan 0.000 0.433 184 A N -0.430 122.492 122.820 0.171 0.000 1.873 184 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 184 A C 2.210 179.775 177.584 -0.032 0.000 1.186 184 A CA 1.249 53.368 52.037 0.137 0.000 0.616 184 A CB -0.333 18.797 19.000 0.216 0.000 0.823 184 A HN 0.317 nan 8.150 nan 0.000 0.442 185 E N 0.607 120.740 120.200 -0.112 0.000 2.153 185 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 185 E C 0.754 177.165 176.600 -0.316 0.000 0.988 185 E CA 0.856 57.119 56.400 -0.228 0.000 0.811 185 E CB -0.346 29.190 29.700 -0.273 0.000 0.746 185 E HN 0.607 nan 8.360 nan 0.000 0.466 186 N N 0.479 119.102 118.700 -0.128 0.000 2.268 186 N HA -0.030 4.710 4.740 -0.000 0.000 0.204 186 N C -0.507 175.006 175.510 0.005 0.000 1.124 186 N CA 0.017 53.051 53.050 -0.027 0.000 0.838 186 N CB 0.302 38.916 38.487 0.212 0.000 0.994 186 N HN 0.259 nan 8.380 nan 0.000 0.489 187 H N -0.438 118.688 119.070 0.094 0.000 2.862 187 H HA -0.146 4.409 4.556 -0.000 0.000 0.290 187 H C 1.083 176.437 175.328 0.043 0.000 1.211 187 H CA 0.489 56.580 56.048 0.072 0.000 1.140 187 H CB -1.682 28.117 29.762 0.062 0.000 1.341 187 H HN 0.328 nan 8.280 nan 0.000 0.392 188 L N -0.400 120.879 121.223 0.093 0.000 2.354 188 L HA 0.179 4.519 4.340 -0.000 0.000 0.212 188 L C 1.088 177.957 176.870 -0.002 0.000 1.091 188 L CA 0.675 55.526 54.840 0.019 0.000 0.828 188 L CB 0.420 42.455 42.059 -0.040 0.000 0.973 188 L HN 0.024 nan 8.230 nan 0.000 0.461 189 L N 0.481 121.718 121.223 0.024 0.000 2.376 189 L HA 0.420 4.760 4.340 -0.000 0.000 0.275 189 L C -0.736 176.202 176.870 0.114 0.000 0.987 189 L CA -0.368 54.435 54.840 -0.061 0.000 0.828 189 L CB 2.013 43.932 42.059 -0.233 0.000 1.249 189 L HN -0.020 nan 8.230 nan 0.000 0.409 190 K N 2.090 122.574 120.400 0.140 0.000 2.350 190 K HA 0.432 4.752 4.320 -0.000 0.000 0.241 190 K C -0.705 176.102 176.600 0.346 0.000 0.994 190 K CA -1.093 55.340 56.287 0.244 0.000 0.839 190 K CB 2.379 34.976 32.500 0.161 0.000 1.244 190 K HN 0.314 nan 8.250 nan 0.000 0.443 191 K N 0.531 121.095 120.400 0.273 0.000 2.524 191 K HA -0.087 4.233 4.320 -0.000 0.000 0.279 191 K C 0.671 177.388 176.600 0.195 0.000 0.993 191 K CA 1.703 58.117 56.287 0.213 0.000 1.030 191 K CB 0.103 32.668 32.500 0.109 0.000 0.891 191 K HN 0.838 nan 8.250 nan 0.000 0.488 192 G N 3.138 112.059 108.800 0.201 0.000 2.225 192 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.254 192 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.254 192 G C -0.185 174.808 174.900 0.155 0.000 0.988 192 G CA 0.280 45.469 45.100 0.148 0.000 0.625 192 G HN 0.713 nan 8.290 nan 0.000 0.527 193 D N 0.742 121.257 120.400 0.191 0.000 2.399 193 D HA 0.407 5.046 4.640 -0.000 0.000 0.241 193 D C 0.568 176.928 176.300 0.100 0.000 1.133 193 D CA 0.353 54.408 54.000 0.092 0.000 0.890 193 D CB 0.902 41.691 40.800 -0.018 0.000 1.201 193 D HN 0.425 nan 8.370 nan 0.000 0.432 194 K N 2.096 122.528 120.400 0.053 0.000 2.183 194 K HA 0.463 4.783 4.320 -0.000 0.000 0.274 194 K C -0.503 176.121 176.600 0.040 0.000 1.009 194 K CA -0.617 55.709 56.287 0.064 0.000 0.888 194 K CB 0.606 33.136 32.500 0.050 0.000 1.078 194 K HN 0.527 nan 8.250 nan 0.000 0.459 195 I N 0.973 121.588 120.570 0.075 0.000 2.498 195 I HA 0.559 4.729 4.170 -0.000 0.000 0.290 195 I C -0.813 175.368 176.117 0.106 0.000 1.032 195 I CA -0.878 60.468 61.300 0.077 0.000 1.073 195 I CB 2.074 40.127 38.000 0.089 0.000 1.251 195 I HN 0.604 nan 8.210 nan 0.000 0.426 196 A N 6.879 129.756 122.820 0.094 0.000 2.331 196 A HA 0.776 5.096 4.320 -0.000 0.000 0.283 196 A C -0.683 176.987 177.584 0.144 0.000 1.142 196 A CA -0.274 51.825 52.037 0.104 0.000 0.812 196 A CB 0.396 19.443 19.000 0.078 0.000 1.074 196 A HN 0.666 nan 8.150 nan 0.000 0.497 197 I N 2.402 123.066 120.570 0.157 0.000 2.582 197 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 197 I C -0.083 176.149 176.117 0.192 0.000 1.066 197 I CA -0.582 60.834 61.300 0.194 0.000 1.053 197 I CB 2.071 40.193 38.000 0.204 0.000 1.241 197 I HN 0.770 nan 8.210 nan 0.000 0.421 198 N N 2.962 121.802 118.700 0.233 0.000 2.525 198 N HA 0.058 4.798 4.740 -0.000 0.000 0.271 198 N C -0.356 175.269 175.510 0.191 0.000 1.194 198 N CA -0.221 52.984 53.050 0.258 0.000 0.964 198 N CB 1.217 39.940 38.487 0.393 0.000 1.126 198 N HN 0.486 nan 8.380 nan 0.000 0.452 199 E N 1.350 121.656 120.200 0.178 0.000 2.331 199 E HA 0.243 4.593 4.350 -0.000 0.000 0.272 199 E C -2.387 174.275 176.600 0.104 0.000 1.036 199 E CA -1.493 54.985 56.400 0.130 0.000 0.864 199 E CB 0.275 30.051 29.700 0.127 0.000 1.035 199 E HN 0.658 nan 8.360 nan 0.000 0.408 200 P HA 0.248 nan 4.420 nan 0.000 0.284 200 P C 0.368 177.718 177.300 0.083 0.000 1.253 200 P CA -0.437 62.700 63.100 0.061 0.000 0.800 200 P CB 0.666 32.384 31.700 0.030 0.000 0.961 201 I N -0.462 120.158 120.570 0.082 0.000 2.752 201 I HA 0.184 4.353 4.170 -0.000 0.000 0.287 201 I C 0.103 176.280 176.117 0.100 0.000 1.188 201 I CA -0.655 60.710 61.300 0.107 0.000 1.427 201 I CB -1.210 36.842 38.000 0.087 0.000 1.365 201 I HN 0.288 nan 8.210 nan 0.000 0.585 202 F N 5.859 125.767 119.950 -0.069 0.000 2.406 202 F HA 0.365 4.892 4.527 0.000 0.000 0.358 202 F C 1.901 177.591 175.800 -0.183 0.000 1.161 202 F CA -0.223 57.651 58.000 -0.210 0.000 1.185 202 F CB 0.479 39.231 39.000 -0.414 0.000 1.421 202 F HN 0.895 nan 8.300 nan 0.000 0.576 203 T N 2.652 116.956 114.554 -0.416 0.000 2.721 203 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 203 T C -0.661 173.842 174.700 -0.328 0.000 1.038 203 T CA 1.235 63.150 62.100 -0.307 0.000 1.145 203 T CB -1.403 67.309 68.868 -0.260 0.000 0.858 203 T HN 0.369 nan 8.240 nan 0.000 0.459 204 P HA -0.078 nan 4.420 nan 0.000 0.218 204 P C 0.935 178.245 177.300 0.016 0.000 1.148 204 P CA 0.950 63.861 63.100 -0.314 0.000 0.822 204 P CB -0.253 31.178 31.700 -0.448 0.000 0.784 205 Y N -0.638 119.652 120.300 -0.016 0.000 2.242 205 Y HA -0.040 4.510 4.550 -0.001 0.000 0.291 205 Y C 2.191 178.057 175.900 -0.056 0.000 1.137 205 Y CA 0.182 58.325 58.100 0.072 0.000 1.181 205 Y CB -1.686 36.927 38.460 0.254 0.000 0.989 205 Y HN -0.074 nan 8.280 nan 0.000 0.527 206 L N -0.525 120.756 121.223 0.098 0.000 2.465 206 L HA -0.103 4.237 4.340 -0.000 0.000 0.224 206 L C 1.755 178.599 176.870 -0.044 0.000 1.145 206 L CA 0.880 55.727 54.840 0.011 0.000 0.834 206 L CB -0.400 41.666 42.059 0.012 0.000 0.944 206 L HN 0.057 nan 8.230 nan 0.000 0.451 207 R N -0.074 120.400 120.500 -0.045 0.000 2.320 207 R HA 0.222 4.562 4.340 -0.000 0.000 0.211 207 R C 0.370 176.634 176.300 -0.060 0.000 0.931 207 R CA -0.150 55.916 56.100 -0.057 0.000 1.071 207 R CB 0.092 30.357 30.300 -0.058 0.000 1.025 207 R HN 0.241 nan 8.270 nan 0.000 0.495 208 I N 2.346 122.866 120.570 -0.084 0.000 2.533 208 I HA 0.009 4.178 4.170 -0.000 0.000 0.284 208 I C -1.390 174.649 176.117 -0.130 0.000 1.109 208 I CA -1.712 59.521 61.300 -0.112 0.000 1.412 208 I CB 1.115 38.990 38.000 -0.208 0.000 1.396 208 I HN -0.154 nan 8.210 nan 0.000 0.543 209 P HA -0.197 nan 4.420 nan 0.000 0.216 209 P C 1.003 178.216 177.300 -0.145 0.000 1.153 209 P CA 1.296 64.339 63.100 -0.095 0.000 0.858 209 P CB 0.217 31.881 31.700 -0.060 0.000 0.789 210 E N -0.968 119.139 120.200 -0.156 0.000 2.204 210 E HA -0.119 4.230 4.350 -0.000 0.000 0.195 210 E C 1.709 177.973 176.600 -0.560 0.000 0.990 210 E CA 0.708 56.956 56.400 -0.253 0.000 0.821 210 E CB -1.121 28.530 29.700 -0.081 0.000 0.750 210 E HN 0.183 nan 8.360 nan 0.000 0.477 211 L N 0.591 121.574 121.223 -0.400 0.000 2.362 211 L HA -0.120 4.220 4.340 -0.000 0.000 0.219 211 L C 1.685 178.395 176.870 -0.265 0.000 1.134 211 L CA 1.325 55.962 54.840 -0.337 0.000 0.807 211 L CB -0.268 41.685 42.059 -0.176 0.000 0.927 211 L HN 0.010 nan 8.230 nan 0.000 0.447 212 K N -0.390 119.871 120.400 -0.232 0.000 2.152 212 K HA -0.153 4.166 4.320 -0.000 0.000 0.206 212 K C 1.129 177.632 176.600 -0.163 0.000 1.048 212 K CA 1.334 57.533 56.287 -0.147 0.000 0.933 212 K CB -0.150 32.281 32.500 -0.115 0.000 0.721 212 K HN 0.274 nan 8.250 nan 0.000 0.447 213 D N -0.730 119.486 120.400 -0.307 0.000 2.340 213 D HA -0.009 4.630 4.640 -0.000 0.000 0.220 213 D C -0.273 175.941 176.300 -0.144 0.000 1.039 213 D CA 0.621 54.469 54.000 -0.253 0.000 0.866 213 D CB 0.183 40.804 40.800 -0.298 0.000 0.913 213 D HN 0.090 nan 8.370 nan 0.000 0.523 214 Y N 0.713 121.037 120.300 0.040 0.000 2.457 214 Y HA 0.321 4.872 4.550 0.001 0.000 0.333 214 Y C 0.673 176.602 175.900 0.047 0.000 1.119 214 Y CA -1.842 56.291 58.100 0.056 0.000 1.143 214 Y CB 0.725 39.233 38.460 0.081 0.000 1.230 214 Y HN -0.275 nan 8.280 nan 0.000 0.469 215 E N 2.766 123.098 120.200 0.221 0.000 2.152 215 E HA 0.353 4.703 4.350 -0.000 0.000 0.285 215 E C -1.475 175.209 176.600 0.139 0.000 1.043 215 E CA -0.284 56.197 56.400 0.135 0.000 0.839 215 E CB 0.336 30.094 29.700 0.097 0.000 1.069 215 E HN 0.604 nan 8.360 nan 0.000 0.399 216 L N 4.792 126.089 121.223 0.122 0.000 2.276 216 L HA 0.344 4.684 4.340 -0.000 0.000 0.286 216 L C -0.573 176.354 176.870 0.095 0.000 1.061 216 L CA -0.923 53.991 54.840 0.122 0.000 0.807 216 L CB 1.454 43.586 42.059 0.121 0.000 1.177 216 L HN 0.347 nan 8.230 nan 0.000 0.429 217 V N 3.094 123.066 119.914 0.096 0.000 2.357 217 V HA 0.214 4.334 4.120 -0.000 0.000 0.284 217 V C 0.162 176.310 176.094 0.091 0.000 1.018 217 V CA -0.635 61.713 62.300 0.080 0.000 0.841 217 V CB 1.534 33.398 31.823 0.068 0.000 0.991 217 V HN 0.718 nan 8.190 nan 0.000 0.437 218 E N 3.691 123.941 120.200 0.085 0.000 2.289 218 E HA 0.478 4.828 4.350 -0.000 0.000 0.278 218 E C -1.293 175.364 176.600 0.095 0.000 1.032 218 E CA -0.293 56.165 56.400 0.096 0.000 0.854 218 E CB 1.487 31.238 29.700 0.085 0.000 1.046 218 E HN 0.502 nan 8.360 nan 0.000 0.409 219 V N 4.346 124.330 119.914 0.115 0.000 2.540 219 V HA 0.156 4.276 4.120 -0.000 0.000 0.302 219 V C -0.506 175.678 176.094 0.149 0.000 1.035 219 V CA -0.845 61.523 62.300 0.113 0.000 0.873 219 V CB 1.806 33.687 31.823 0.096 0.000 0.992 219 V HN 0.664 nan 8.190 nan 0.000 0.428 220 D N 4.394 124.885 120.400 0.151 0.000 2.454 220 D HA 0.348 4.988 4.640 -0.000 0.000 0.225 220 D C 0.265 176.690 176.300 0.208 0.000 1.081 220 D CA -0.235 53.888 54.000 0.205 0.000 0.864 220 D CB 1.300 42.231 40.800 0.219 0.000 1.040 220 D HN 0.461 nan 8.370 nan 0.000 0.517 221 L N 3.585 124.936 121.223 0.214 0.000 2.783 221 L HA 0.149 4.488 4.340 -0.000 0.000 0.236 221 L C 1.037 178.002 176.870 0.158 0.000 1.225 221 L CA -0.298 54.617 54.840 0.125 0.000 1.026 221 L CB -0.327 41.696 42.059 -0.059 0.000 1.314 221 L HN 0.415 nan 8.230 nan 0.000 0.489 222 H N 0.560 119.676 119.070 0.077 0.000 2.582 222 H HA 0.234 4.790 4.556 -0.000 0.000 0.345 222 H C -0.468 174.734 175.328 -0.210 0.000 1.104 222 H CA -0.206 55.783 56.048 -0.098 0.000 1.390 222 H CB 1.412 31.021 29.762 -0.255 0.000 1.461 222 H HN 0.025 nan 8.280 nan 0.000 0.551 223 S N 4.893 120.197 115.700 -0.659 0.000 2.452 223 S HA 0.212 4.682 4.470 -0.000 0.000 0.284 223 S C -0.923 173.382 174.600 -0.492 0.000 1.171 223 S CA -0.430 57.554 58.200 -0.359 0.000 1.064 223 S CB 0.009 63.133 63.200 -0.127 0.000 0.967 223 S HN 0.394 nan 8.310 nan 0.000 0.484 224 Y N 0.933 121.181 120.300 -0.086 0.000 2.496 224 Y HA 0.281 4.831 4.550 -0.000 0.000 0.331 224 Y C 1.576 177.022 175.900 -0.758 0.000 1.140 224 Y CA -1.006 56.955 58.100 -0.231 0.000 1.166 224 Y CB 0.781 39.188 38.460 -0.090 0.000 1.249 224 Y HN 0.640 nan 8.280 nan 0.000 0.479 225 E N 1.277 120.849 120.200 -1.047 0.000 2.118 225 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 225 E C 1.236 177.507 176.600 -0.548 0.000 0.992 225 E CA 1.956 57.573 56.400 -1.304 0.000 0.804 225 E CB 0.074 29.318 29.700 -0.760 0.000 0.741 225 E HN 0.655 nan 8.360 nan 0.000 0.458 226 K N 0.193 120.431 120.400 -0.271 0.000 2.074 226 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 226 K C 0.729 177.246 176.600 -0.138 0.000 1.048 226 K CA 1.525 57.717 56.287 -0.158 0.000 0.926 226 K CB -0.430 31.993 32.500 -0.129 0.000 0.713 226 K HN 0.220 nan 8.250 nan 0.000 0.444 227 N N 0.558 119.182 118.700 -0.128 0.000 2.514 227 N HA -0.004 4.736 4.740 -0.000 0.000 0.299 227 N C -0.229 175.197 175.510 -0.140 0.000 1.292 227 N CA -0.473 52.527 53.050 -0.084 0.000 0.963 227 N CB 0.308 38.786 38.487 -0.014 0.000 1.124 227 N HN -0.106 nan 8.380 nan 0.000 0.580 228 D N -0.505 119.862 120.400 -0.055 0.000 3.057 228 D HA 0.112 4.752 4.640 -0.000 0.000 0.246 228 D C -0.760 175.602 176.300 0.103 0.000 1.238 228 D CA -0.510 53.485 54.000 -0.008 0.000 0.949 228 D CB -0.788 40.036 40.800 0.039 0.000 1.086 228 D HN 0.465 nan 8.370 nan 0.000 0.487 229 W N 0.291 121.599 121.300 0.014 0.000 5.963 229 W HA -0.241 4.419 4.660 -0.000 0.000 0.400 229 W C 0.294 176.784 176.519 -0.048 0.000 1.530 229 W CA 0.263 57.593 57.345 -0.024 0.000 1.004 229 W CB -1.509 27.932 29.460 -0.032 0.000 2.706 229 W HN 0.241 nan 8.180 nan 0.000 1.495 230 E N -0.760 119.495 120.200 0.092 0.000 2.456 230 E HA 0.513 4.863 4.350 -0.000 0.000 0.276 230 E C -0.053 176.573 176.600 0.044 0.000 0.981 230 E CA -1.496 54.937 56.400 0.055 0.000 0.814 230 E CB 1.531 31.260 29.700 0.049 0.000 1.382 230 E HN -0.103 nan 8.360 nan 0.000 0.459 231 I N 1.707 122.300 120.570 0.037 0.000 2.692 231 I HA -0.012 4.158 4.170 -0.000 0.000 0.284 231 I C 0.381 176.549 176.117 0.085 0.000 1.159 231 I CA 0.324 61.666 61.300 0.070 0.000 1.423 231 I CB 0.221 38.244 38.000 0.038 0.000 1.380 231 I HN 0.355 nan 8.210 nan 0.000 0.580 232 E N 7.492 127.772 120.200 0.133 0.000 2.558 232 E HA -0.065 4.285 4.350 -0.000 0.000 0.255 232 E C -1.610 175.019 176.600 0.047 0.000 0.968 232 E CA -0.909 55.540 56.400 0.082 0.000 0.939 232 E CB 0.290 30.037 29.700 0.078 0.000 0.921 232 E HN 0.380 nan 8.360 nan 0.000 0.477 233 P HA -0.190 nan 4.420 nan 0.000 0.216 233 P C 0.406 177.715 177.300 0.014 0.000 1.150 233 P CA 1.156 64.265 63.100 0.015 0.000 0.843 233 P CB 0.258 31.962 31.700 0.007 0.000 0.787 234 N N -1.041 117.668 118.700 0.015 0.000 2.396 234 N HA -0.103 4.637 4.740 -0.000 0.000 0.180 234 N C 1.466 176.991 175.510 0.024 0.000 1.028 234 N CA 0.847 53.906 53.050 0.015 0.000 0.893 234 N CB -0.520 37.972 38.487 0.010 0.000 0.967 234 N HN 0.218 nan 8.380 nan 0.000 0.440 235 E N 0.445 120.667 120.200 0.036 0.000 2.112 235 E HA 0.047 4.396 4.350 -0.000 0.000 0.190 235 E C 1.823 178.442 176.600 0.030 0.000 0.979 235 E CA 0.256 56.684 56.400 0.047 0.000 0.814 235 E CB 0.049 29.796 29.700 0.078 0.000 0.762 235 E HN 0.290 nan 8.360 nan 0.000 0.460 236 I N 1.509 122.091 120.570 0.020 0.000 2.439 236 I HA -0.156 4.013 4.170 -0.000 0.000 0.251 236 I C 2.109 178.227 176.117 0.002 0.000 1.139 236 I CA 0.940 62.242 61.300 0.004 0.000 1.438 236 I CB -0.665 37.334 38.000 -0.001 0.000 1.085 236 I HN 0.114 nan 8.210 nan 0.000 0.427 237 E N 1.109 121.313 120.200 0.007 0.000 2.028 237 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 237 E C 2.145 178.750 176.600 0.008 0.000 0.988 237 E CA 1.130 57.533 56.400 0.005 0.000 0.799 237 E CB -0.048 29.656 29.700 0.007 0.000 0.755 237 E HN 0.448 nan 8.360 nan 0.000 0.447 238 K N 0.633 121.043 120.400 0.016 0.000 2.032 238 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 238 K C 2.220 178.832 176.600 0.020 0.000 1.048 238 K CA 0.938 57.239 56.287 0.022 0.000 0.927 238 K CB -0.248 32.272 32.500 0.032 0.000 0.712 238 K HN -0.008 nan 8.250 nan 0.000 0.441 239 L N 1.562 122.794 121.223 0.016 0.000 2.083 239 L HA -0.154 4.185 4.340 -0.000 0.000 0.209 239 L C 1.273 178.141 176.870 -0.003 0.000 1.083 239 L CA 1.859 56.704 54.840 0.008 0.000 0.752 239 L CB -0.029 42.026 42.059 -0.007 0.000 0.899 239 L HN -0.016 nan 8.230 nan 0.000 0.433 240 K N -0.446 119.950 120.400 -0.006 0.000 2.404 240 K HA 0.020 4.340 4.320 -0.000 0.000 0.194 240 K C 0.051 176.646 176.600 -0.009 0.000 1.023 240 K CA -0.085 56.195 56.287 -0.012 0.000 1.094 240 K CB -0.140 32.351 32.500 -0.015 0.000 0.841 240 K HN 0.270 nan 8.250 nan 0.000 0.523 241 D N 2.308 122.707 120.400 -0.002 0.000 2.502 241 D HA -0.044 4.596 4.640 -0.000 0.000 0.249 241 D C -1.690 174.607 176.300 -0.005 0.000 1.188 241 D CA -1.484 52.516 54.000 0.000 0.000 0.890 241 D CB 1.106 41.911 40.800 0.009 0.000 1.140 241 D HN -0.087 nan 8.370 nan 0.000 0.505 242 P HA -0.124 nan 4.420 nan 0.000 0.219 242 P C 1.000 178.292 177.300 -0.012 0.000 1.144 242 P CA 0.878 63.970 63.100 -0.014 0.000 0.806 242 P CB 0.252 31.945 31.700 -0.013 0.000 0.771 243 S N -1.275 114.423 115.700 -0.004 0.000 2.496 243 S HA 0.036 4.506 4.470 -0.000 0.000 0.224 243 S C 0.975 175.575 174.600 0.001 0.000 0.996 243 S CA 0.125 58.325 58.200 0.001 0.000 0.927 243 S CB -0.401 62.806 63.200 0.010 0.000 0.774 243 S HN 0.029 nan 8.310 nan 0.000 0.524 244 I N 2.840 123.411 120.570 0.001 0.000 2.664 244 I HA 0.063 4.233 4.170 -0.000 0.000 0.284 244 I C 1.199 177.305 176.117 -0.019 0.000 1.154 244 I CA 0.630 61.930 61.300 0.001 0.000 1.402 244 I CB 0.529 38.534 38.000 0.008 0.000 1.395 244 I HN 0.165 nan 8.210 nan 0.000 0.545 245 K N 4.512 124.896 120.400 -0.027 0.000 2.308 245 K HA 0.310 4.630 4.320 -0.000 0.000 0.197 245 K C 0.337 176.896 176.600 -0.068 0.000 1.049 245 K CA 0.370 56.624 56.287 -0.055 0.000 0.991 245 K CB 0.649 33.111 32.500 -0.064 0.000 0.836 245 K HN 0.764 nan 8.250 nan 0.000 0.500 246 A N 0.817 123.614 122.820 -0.038 0.000 2.572 246 A HA 0.559 4.878 4.320 -0.000 0.000 0.295 246 A C -2.081 175.522 177.584 0.030 0.000 1.072 246 A CA -0.730 51.295 52.037 -0.019 0.000 0.691 246 A CB 1.460 20.449 19.000 -0.017 0.000 1.291 246 A HN 0.089 nan 8.150 nan 0.000 0.404 247 L N 2.577 123.831 121.223 0.051 0.000 2.325 247 L HA 0.709 5.049 4.340 -0.000 0.000 0.281 247 L C -1.406 175.542 176.870 0.131 0.000 1.004 247 L CA -0.473 54.422 54.840 0.092 0.000 0.823 247 L CB 1.301 43.404 42.059 0.075 0.000 1.236 247 L HN 0.514 nan 8.230 nan 0.000 0.415 248 I N 7.112 127.787 120.570 0.176 0.000 2.382 248 I HA 0.515 4.685 4.170 -0.000 0.000 0.286 248 I C -0.212 176.056 176.117 0.252 0.000 1.002 248 I CA -0.676 60.750 61.300 0.210 0.000 1.135 248 I CB 1.379 39.551 38.000 0.288 0.000 1.288 248 I HN 0.452 nan 8.210 nan 0.000 0.448 249 V N 4.603 124.665 119.914 0.247 0.000 2.823 249 V HA 0.749 4.869 4.120 -0.000 0.000 0.312 249 V C -0.595 175.624 176.094 0.208 0.000 1.072 249 V CA -0.742 61.713 62.300 0.259 0.000 0.937 249 V CB 2.384 34.419 31.823 0.353 0.000 1.013 249 V HN 0.296 nan 8.190 nan 0.000 0.430 250 V N 3.836 123.834 119.914 0.141 0.000 2.328 250 V HA 0.565 4.685 4.120 -0.000 0.000 0.278 250 V C -0.333 175.741 176.094 -0.033 0.000 1.021 250 V CA -0.114 62.221 62.300 0.058 0.000 0.838 250 V CB 0.880 32.684 31.823 -0.032 0.000 0.999 250 V HN 1.060 nan 8.190 nan 0.000 0.447 251 N N 6.587 125.288 118.700 0.002 0.000 2.519 251 N HA 0.515 5.255 4.740 -0.000 0.000 0.286 251 N C -3.096 172.493 175.510 0.131 0.000 1.079 251 N CA -1.521 51.493 53.050 -0.059 0.000 0.878 251 N CB 3.043 41.465 38.487 -0.108 0.000 1.375 251 N HN 0.230 nan 8.380 nan 0.000 0.514 252 P HA 0.132 nan 4.420 nan 0.000 0.272 252 P C -0.346 176.933 177.300 -0.036 0.000 1.223 252 P CA -0.199 62.894 63.100 -0.012 0.000 0.784 252 P CB 0.371 32.074 31.700 0.005 0.000 0.923 253 T N -0.758 113.728 114.554 -0.114 0.000 2.898 253 T HA 0.241 4.591 4.350 -0.000 0.000 0.301 253 T C 0.077 174.682 174.700 -0.157 0.000 1.049 253 T CA -0.499 61.534 62.100 -0.111 0.000 1.095 253 T CB 0.124 68.936 68.868 -0.093 0.000 0.976 253 T HN 0.331 nan 8.240 nan 0.000 0.539 254 N N 2.122 120.723 118.700 -0.165 0.000 2.399 254 N HA 0.380 5.119 4.740 -0.000 0.000 0.280 254 N C -2.332 173.082 175.510 -0.159 0.000 1.008 254 N CA -2.559 50.333 53.050 -0.263 0.000 0.894 254 N CB 2.113 40.428 38.487 -0.287 0.000 1.273 254 N HN 0.330 nan 8.380 nan 0.000 0.486 255 P HA 0.187 nan 4.420 nan 0.000 0.267 255 P C 0.532 177.808 177.300 -0.040 0.000 1.289 255 P CA 0.178 63.106 63.100 -0.286 0.000 0.866 255 P CB 0.345 31.887 31.700 -0.262 0.000 1.309 256 T N -0.426 114.106 114.554 -0.037 0.000 2.929 256 T HA -0.090 4.260 4.350 -0.000 0.000 0.271 256 T C 0.956 175.657 174.700 0.001 0.000 1.085 256 T CA 1.244 63.346 62.100 0.002 0.000 1.125 256 T CB -0.856 68.008 68.868 -0.006 0.000 0.874 256 T HN 0.110 nan 8.240 nan 0.000 0.494 257 S N 0.750 116.425 115.700 -0.041 0.000 3.682 257 S HA -0.122 4.347 4.470 -0.000 0.000 0.354 257 S C -0.126 174.419 174.600 -0.092 0.000 1.034 257 S CA 0.472 58.623 58.200 -0.083 0.000 1.084 257 S CB -0.957 62.227 63.200 -0.028 0.000 0.903 257 S HN 0.431 nan 8.310 nan 0.000 0.470 258 K N 1.666 122.023 120.400 -0.071 0.000 2.345 258 K HA 0.383 4.703 4.320 -0.000 0.000 0.255 258 K C 0.229 176.802 176.600 -0.046 0.000 0.934 258 K CA -0.679 55.583 56.287 -0.042 0.000 0.801 258 K CB 1.596 34.099 32.500 0.004 0.000 1.137 258 K HN 0.651 nan 8.250 nan 0.000 0.424 259 E N 1.582 121.793 120.200 0.017 0.000 2.349 259 E HA 0.264 4.614 4.350 -0.000 0.000 0.265 259 E C -0.759 175.890 176.600 0.081 0.000 1.064 259 E CA -0.582 55.861 56.400 0.071 0.000 0.886 259 E CB 0.408 30.258 29.700 0.249 0.000 1.036 259 E HN 0.123 nan 8.360 nan 0.000 0.413 260 F N 2.740 122.758 119.950 0.113 0.000 2.572 260 F HA 0.058 4.585 4.527 -0.000 0.000 0.370 260 F C 0.837 176.653 175.800 0.028 0.000 1.103 260 F CA -0.321 57.718 58.000 0.064 0.000 1.286 260 F CB 0.142 39.172 39.000 0.050 0.000 1.105 260 F HN 0.555 nan 8.300 nan 0.000 0.583 261 D N 0.503 121.039 120.400 0.227 0.000 2.478 261 D HA 0.121 4.760 4.640 -0.000 0.000 0.269 261 D C 1.080 177.411 176.300 0.051 0.000 1.232 261 D CA -0.429 53.628 54.000 0.094 0.000 1.059 261 D CB -0.296 40.528 40.800 0.040 0.000 1.104 261 D HN 0.434 nan 8.370 nan 0.000 0.566 262 T N -0.251 114.309 114.554 0.010 0.000 2.635 262 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 262 T C 1.482 176.166 174.700 -0.027 0.000 1.040 262 T CA 1.687 63.779 62.100 -0.013 0.000 1.156 262 T CB -0.470 68.386 68.868 -0.019 0.000 0.863 262 T HN 0.373 nan 8.240 nan 0.000 0.430 263 N N 1.363 120.048 118.700 -0.025 0.000 2.061 263 N HA -0.093 4.647 4.740 -0.000 0.000 0.193 263 N C 2.067 177.535 175.510 -0.070 0.000 1.030 263 N CA 1.572 54.599 53.050 -0.037 0.000 0.856 263 N CB -0.693 37.778 38.487 -0.027 0.000 1.023 263 N HN 0.470 nan 8.380 nan 0.000 0.424 264 A N 1.050 123.821 122.820 -0.083 0.000 1.873 264 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 264 A C 2.419 179.826 177.584 -0.295 0.000 1.186 264 A CA 0.869 52.767 52.037 -0.232 0.000 0.616 264 A CB -0.705 18.128 19.000 -0.278 0.000 0.823 264 A HN 0.224 nan 8.150 nan 0.000 0.442 265 L N -0.240 120.886 121.223 -0.161 0.000 2.046 265 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 265 L C 2.365 179.173 176.870 -0.103 0.000 1.077 265 L CA 1.278 56.049 54.840 -0.116 0.000 0.747 265 L CB -0.838 41.194 42.059 -0.045 0.000 0.896 265 L HN 0.361 nan 8.230 nan 0.000 0.432 266 N N 0.645 119.295 118.700 -0.083 0.000 2.043 266 N HA -0.192 4.548 4.740 -0.000 0.000 0.193 266 N C 1.924 177.388 175.510 -0.077 0.000 1.037 266 N CA 1.745 54.754 53.050 -0.068 0.000 0.851 266 N CB -0.429 38.027 38.487 -0.051 0.000 1.027 266 N HN 0.327 nan 8.380 nan 0.000 0.422 267 A N 1.240 124.003 122.820 -0.095 0.000 1.917 267 A HA -0.129 4.190 4.320 -0.000 0.000 0.219 267 A C 2.350 179.874 177.584 -0.101 0.000 1.182 267 A CA 1.168 53.148 52.037 -0.094 0.000 0.633 267 A CB -0.725 18.210 19.000 -0.109 0.000 0.819 267 A HN 0.278 nan 8.150 nan 0.000 0.448 268 I N -1.005 119.485 120.570 -0.134 0.000 2.286 268 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 268 I C 2.522 178.597 176.117 -0.071 0.000 1.104 268 I CA 1.704 62.938 61.300 -0.110 0.000 1.397 268 I CB -0.270 37.651 38.000 -0.132 0.000 1.072 268 I HN 0.365 nan 8.210 nan 0.000 0.417 269 K N 0.996 121.354 120.400 -0.071 0.000 2.097 269 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 269 K C 2.135 178.704 176.600 -0.052 0.000 1.049 269 K CA 1.433 57.685 56.287 -0.057 0.000 0.933 269 K CB 0.039 32.504 32.500 -0.059 0.000 0.717 269 K HN 0.341 nan 8.250 nan 0.000 0.442 270 Q N -0.384 119.384 119.800 -0.052 0.000 2.119 270 Q HA -0.080 4.260 4.340 -0.000 0.000 0.201 270 Q C 2.061 178.035 176.000 -0.042 0.000 0.972 270 Q CA 1.281 57.057 55.803 -0.045 0.000 0.847 270 Q CB -0.061 28.652 28.738 -0.042 0.000 0.903 270 Q HN 0.389 nan 8.270 nan 0.000 0.433 271 A N 0.275 123.068 122.820 -0.045 0.000 1.933 271 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 271 A C 2.271 179.832 177.584 -0.038 0.000 1.175 271 A CA 1.205 53.219 52.037 -0.039 0.000 0.628 271 A CB -0.508 18.468 19.000 -0.040 0.000 0.814 271 A HN 0.213 nan 8.150 nan 0.000 0.444 272 V N -0.033 119.859 119.914 -0.038 0.000 2.453 272 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 272 V C 2.347 178.418 176.094 -0.038 0.000 1.048 272 V CA 2.060 64.340 62.300 -0.033 0.000 1.049 272 V CB -0.736 31.072 31.823 -0.025 0.000 0.672 272 V HN 0.633 nan 8.190 nan 0.000 0.457 273 E N 0.212 120.387 120.200 -0.042 0.000 2.051 273 E HA -0.278 4.072 4.350 -0.000 0.000 0.192 273 E C 2.265 178.839 176.600 -0.044 0.000 0.991 273 E CA 1.517 57.890 56.400 -0.046 0.000 0.799 273 E CB -0.168 29.505 29.700 -0.044 0.000 0.748 273 E HN 0.515 nan 8.360 nan 0.000 0.449 274 K N 0.655 121.031 120.400 -0.039 0.000 2.057 274 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 274 K C 0.637 177.213 176.600 -0.039 0.000 1.050 274 K CA 1.034 57.300 56.287 -0.037 0.000 0.935 274 K CB 0.186 32.667 32.500 -0.032 0.000 0.715 274 K HN -0.071 nan 8.250 nan 0.000 0.439 275 N N 0.415 119.091 118.700 -0.040 0.000 2.746 275 N HA 0.223 4.963 4.740 -0.000 0.000 0.250 275 N C -2.523 172.959 175.510 -0.046 0.000 1.146 275 N CA -2.287 50.736 53.050 -0.045 0.000 0.828 275 N CB 1.685 40.146 38.487 -0.044 0.000 1.158 275 N HN -0.097 nan 8.380 nan 0.000 0.519 276 P HA -0.043 nan 4.420 nan 0.000 0.231 276 P C 0.251 177.549 177.300 -0.004 0.000 1.158 276 P CA 1.076 64.160 63.100 -0.025 0.000 0.763 276 P CB 0.269 31.939 31.700 -0.050 0.000 0.805 277 K N -1.627 118.740 120.400 -0.055 0.000 2.358 277 K HA 0.132 4.452 4.320 -0.000 0.000 0.197 277 K C 0.853 177.362 176.600 -0.151 0.000 1.025 277 K CA -0.436 55.792 56.287 -0.097 0.000 1.104 277 K CB -0.058 32.377 32.500 -0.110 0.000 0.855 277 K HN 0.134 nan 8.250 nan 0.000 0.531 281 I N 3.642 124.309 120.570 0.161 0.000 2.389 281 I HA 0.422 4.592 4.170 -0.000 0.000 0.288 281 I C -0.263 175.935 176.117 0.135 0.000 0.999 281 I CA -0.450 60.917 61.300 0.111 0.000 1.129 281 I CB 1.949 39.943 38.000 -0.011 0.000 1.288 281 I HN 0.485 nan 8.210 nan 0.000 0.444 282 S N 4.595 120.382 115.700 0.144 0.000 2.640 282 S HA 0.228 4.698 4.470 -0.000 0.000 0.320 282 S C -0.793 173.894 174.600 0.146 0.000 1.097 282 S CA -0.631 57.674 58.200 0.175 0.000 1.092 282 S CB 0.806 64.138 63.200 0.219 0.000 0.988 282 S HN 0.583 nan 8.310 nan 0.000 0.470 283 D N 3.866 124.347 120.400 0.135 0.000 2.393 283 D HA 0.190 4.830 4.640 -0.000 0.000 0.232 283 D C 0.081 176.424 176.300 0.071 0.000 1.192 283 D CA -0.142 53.911 54.000 0.089 0.000 0.882 283 D CB 0.648 41.521 40.800 0.121 0.000 1.038 283 D HN 0.652 nan 8.370 nan 0.000 0.499 284 E N 3.012 123.259 120.200 0.079 0.000 2.651 284 E HA 0.035 4.385 4.350 -0.000 0.000 0.213 284 E C 1.335 177.885 176.600 -0.083 0.000 1.028 284 E CA -0.224 56.221 56.400 0.074 0.000 1.183 284 E CB 1.168 31.038 29.700 0.284 0.000 1.188 284 E HN 0.269 nan 8.360 nan 0.000 0.444 285 V N 0.051 119.814 119.914 -0.252 0.000 2.568 285 V HA -0.265 3.854 4.120 -0.000 0.000 0.253 285 V C 0.852 176.636 176.094 -0.517 0.000 1.072 285 V CA 1.802 63.798 62.300 -0.507 0.000 1.084 285 V CB -0.255 31.136 31.823 -0.719 0.000 0.676 285 V HN 0.433 nan 8.190 nan 0.000 0.469 286 Y N 0.351 120.538 120.300 -0.189 0.000 2.468 286 Y HA 0.392 4.942 4.550 -0.000 0.000 0.268 286 Y C 2.186 177.976 175.900 -0.182 0.000 1.177 286 Y CA 0.124 58.146 58.100 -0.130 0.000 1.265 286 Y CB -0.558 37.765 38.460 -0.229 0.000 1.103 286 Y HN 0.236 nan 8.280 nan 0.000 0.522 287 G N 0.552 109.077 108.800 -0.459 0.000 2.440 287 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 287 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 287 G C 1.909 176.437 174.900 -0.620 0.000 1.154 287 G CA 1.004 45.322 45.100 -1.303 0.000 0.767 287 G HN 0.434 nan 8.290 nan 0.000 0.552 288 A N -0.117 122.506 122.820 -0.329 0.000 2.178 288 A HA 0.189 4.509 4.320 -0.000 0.000 0.218 288 A C 1.908 179.286 177.584 -0.343 0.000 1.157 288 A CA 0.850 52.712 52.037 -0.292 0.000 0.689 288 A CB -0.489 18.310 19.000 -0.335 0.000 0.787 288 A HN 0.343 nan 8.150 nan 0.000 0.465 289 F N -0.485 119.397 119.950 -0.112 0.000 2.780 289 F HA 0.120 4.647 4.527 -0.000 0.000 0.299 289 F C 0.939 176.696 175.800 -0.072 0.000 1.146 289 F CA 0.590 58.554 58.000 -0.061 0.000 1.428 289 F CB 0.210 39.225 39.000 0.024 0.000 1.115 289 F HN 0.101 nan 8.300 nan 0.000 0.583 290 V N -2.343 117.604 119.914 0.055 0.000 2.628 290 V HA 0.597 4.716 4.120 -0.000 0.000 0.306 290 V C -2.691 173.441 176.094 0.063 0.000 1.045 290 V CA -3.078 59.253 62.300 0.052 0.000 0.905 290 V CB 1.383 33.261 31.823 0.091 0.000 0.997 290 V HN -0.283 nan 8.190 nan 0.000 0.436 291 P HA 0.196 nan 4.420 nan 0.000 0.269 291 P C -0.097 177.253 177.300 0.084 0.000 1.209 291 P CA 0.292 63.420 63.100 0.046 0.000 0.776 291 P CB 0.088 31.802 31.700 0.023 0.000 0.876 292 N N -0.476 118.274 118.700 0.084 0.000 2.727 292 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 292 N C -0.326 175.255 175.510 0.117 0.000 1.048 292 N CA 0.557 53.656 53.050 0.081 0.000 0.714 292 N CB -1.726 36.787 38.487 0.043 0.000 0.959 292 N HN 0.443 nan 8.380 nan 0.000 0.544 293 F N 1.344 121.301 119.950 0.013 0.000 2.572 293 F HA 0.208 4.735 4.527 -0.000 0.000 0.370 293 F C 0.833 176.662 175.800 0.048 0.000 1.103 293 F CA -0.043 57.974 58.000 0.029 0.000 1.286 293 F CB 0.595 39.610 39.000 0.025 0.000 1.105 293 F HN -0.060 nan 8.300 nan 0.000 0.583 294 K N 5.020 124.921 120.400 -0.832 0.000 2.449 294 K HA 0.282 4.602 4.320 -0.000 0.000 0.257 294 K C -0.575 175.475 176.600 -0.917 0.000 0.989 294 K CA -0.454 55.476 56.287 -0.596 0.000 0.916 294 K CB 1.237 33.571 32.500 -0.276 0.000 1.136 294 K HN 0.631 nan 8.250 nan 0.000 0.439 295 S N 3.808 119.166 115.700 -0.569 0.000 2.579 295 S HA 0.161 4.631 4.470 -0.000 0.000 0.275 295 S C 1.416 175.976 174.600 -0.068 0.000 1.345 295 S CA -0.350 57.736 58.200 -0.190 0.000 1.031 295 S CB 0.259 63.601 63.200 0.237 0.000 0.892 295 S HN 0.660 nan 8.310 nan 0.000 0.529 296 I N 3.162 123.771 120.570 0.066 0.000 2.439 296 I HA -0.081 4.089 4.170 -0.000 0.000 0.251 296 I C 1.856 178.005 176.117 0.055 0.000 1.139 296 I CA 0.968 62.316 61.300 0.080 0.000 1.438 296 I CB -0.350 37.750 38.000 0.167 0.000 1.085 296 I HN 0.841 nan 8.210 nan 0.000 0.427 297 Y N 1.659 121.942 120.300 -0.028 0.000 2.274 297 Y HA -0.292 4.257 4.550 -0.000 0.000 0.290 297 Y C 2.763 178.527 175.900 -0.227 0.000 1.145 297 Y CA 1.595 59.630 58.100 -0.108 0.000 1.203 297 Y CB -0.240 38.146 38.460 -0.124 0.000 0.984 297 Y HN 0.241 nan 8.280 nan 0.000 0.533 298 S N -1.736 113.791 115.700 -0.289 0.000 2.428 298 S HA -0.088 4.382 4.470 -0.000 0.000 0.230 298 S C 1.809 176.266 174.600 -0.239 0.000 1.014 298 S CA 1.096 59.093 58.200 -0.338 0.000 0.957 298 S CB -0.796 62.328 63.200 -0.126 0.000 0.784 298 S HN 0.201 nan 8.310 nan 0.000 0.499 299 V N 1.560 121.372 119.914 -0.170 0.000 2.379 299 V HA 0.129 4.249 4.120 -0.000 0.000 0.243 299 V C 1.253 177.270 176.094 -0.128 0.000 1.035 299 V CA 1.190 63.416 62.300 -0.123 0.000 1.035 299 V CB 0.108 31.882 31.823 -0.081 0.000 0.673 299 V HN 0.664 nan 8.190 nan 0.000 0.457 300 V N -2.362 117.473 119.914 -0.131 0.000 2.405 300 V HA 0.413 4.533 4.120 -0.000 0.000 0.253 300 V C -1.670 174.343 176.094 -0.135 0.000 0.963 300 V CA -1.323 60.919 62.300 -0.097 0.000 1.003 300 V CB 0.474 32.275 31.823 -0.037 0.000 1.251 300 V HN 0.226 nan 8.190 nan 0.000 0.520 301 P HA -0.227 nan 4.420 nan 0.000 0.216 301 P C 1.433 178.674 177.300 -0.097 0.000 1.150 301 P CA 1.610 64.383 63.100 -0.545 0.000 0.837 301 P CB 0.201 31.472 31.700 -0.716 0.000 0.786 302 Y N 1.651 121.884 120.300 -0.111 0.000 2.274 302 Y HA -0.145 4.405 4.550 -0.000 0.000 0.290 302 Y C 1.364 177.272 175.900 0.014 0.000 1.145 302 Y CA 1.824 59.912 58.100 -0.021 0.000 1.203 302 Y CB -0.859 37.573 38.460 -0.047 0.000 0.984 302 Y HN -0.069 nan 8.280 nan 0.000 0.533 303 N N -1.148 117.571 118.700 0.031 0.000 2.280 303 N HA 0.086 4.826 4.740 -0.000 0.000 0.192 303 N C -0.284 175.249 175.510 0.039 0.000 1.109 303 N CA 0.592 53.593 53.050 -0.081 0.000 0.855 303 N CB 0.463 38.933 38.487 -0.029 0.000 0.974 303 N HN 0.099 nan 8.380 nan 0.000 0.482 307 V N 5.288 125.236 119.914 0.057 0.000 2.357 307 V HA 0.479 4.599 4.120 -0.000 0.000 0.284 307 V C -0.925 175.224 176.094 0.091 0.000 1.018 307 V CA -0.451 61.875 62.300 0.044 0.000 0.841 307 V CB 1.261 33.081 31.823 -0.004 0.000 0.991 307 V HN 0.711 nan 8.190 nan 0.000 0.437 308 Y N 3.654 123.930 120.300 -0.039 0.000 2.468 308 Y HA 0.743 5.293 4.550 -0.000 0.000 0.342 308 Y C 0.045 175.900 175.900 -0.074 0.000 1.021 308 Y CA -0.471 57.587 58.100 -0.070 0.000 1.079 308 Y CB 2.236 40.649 38.460 -0.078 0.000 1.226 308 Y HN 0.570 nan 8.280 nan 0.000 0.460 309 S N 3.845 118.888 115.700 -1.095 0.000 2.538 309 S HA 0.327 4.796 4.470 -0.000 0.000 0.288 309 S C -0.541 173.460 174.600 -0.998 0.000 1.108 309 S CA -0.530 57.220 58.200 -0.751 0.000 0.971 309 S CB 0.500 63.463 63.200 -0.394 0.000 1.041 309 S HN 0.708 nan 8.310 nan 0.000 0.483 310 Y N 2.414 122.490 120.300 -0.373 0.000 2.561 310 Y HA 0.155 4.705 4.550 -0.000 0.000 0.291 310 Y C 1.908 177.825 175.900 0.028 0.000 1.141 310 Y CA 0.338 58.424 58.100 -0.023 0.000 1.303 310 Y CB -0.192 38.246 38.460 -0.037 0.000 1.015 310 Y HN 0.508 nan 8.280 nan 0.000 0.547 314 F N 1.931 122.013 119.950 0.221 0.000 2.797 314 F HA 0.552 5.078 4.527 -0.000 0.000 0.302 314 F C 1.728 177.542 175.800 0.023 0.000 1.130 314 F CA 0.646 58.622 58.000 -0.040 0.000 1.387 314 F CB -0.105 38.317 39.000 -0.962 0.000 1.107 314 F HN 0.262 nan 8.300 nan 0.000 0.577 315 G N 0.970 109.870 108.800 0.167 0.000 2.338 315 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.296 315 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.296 315 G C 0.344 175.280 174.900 0.059 0.000 1.040 315 G CA 0.340 45.401 45.100 -0.065 0.000 1.004 315 G HN 0.668 nan 8.290 nan 0.000 0.509 316 C N -1.136 118.226 119.300 0.103 0.000 2.751 316 C HA 0.659 5.119 4.460 -0.000 0.000 0.248 316 C C 2.054 177.155 174.990 0.185 0.000 1.710 316 C CA 0.529 59.682 59.018 0.226 0.000 1.676 316 C CB -0.952 26.962 27.740 0.291 0.000 3.106 316 C HN 0.866 nan 8.230 nan 0.000 0.502 317 T N -1.899 112.707 114.554 0.085 0.000 2.881 317 T HA -0.025 4.325 4.350 -0.000 0.000 0.270 317 T C 1.776 176.509 174.700 0.055 0.000 1.068 317 T CA 1.996 64.130 62.100 0.058 0.000 1.131 317 T CB -0.509 68.371 68.868 0.021 0.000 0.871 317 T HN 0.710 nan 8.240 nan 0.000 0.479 318 G N -0.492 108.329 108.800 0.035 0.000 2.484 318 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.218 318 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.218 318 G C 1.151 175.994 174.900 -0.095 0.000 1.130 318 G CA -0.065 45.002 45.100 -0.055 0.000 0.784 318 G HN 0.621 nan 8.290 nan 0.000 0.543 319 W N 0.341 121.630 121.300 -0.019 0.000 2.467 319 W HA 0.165 4.825 4.660 -0.000 0.000 0.275 319 W C 0.601 177.099 176.519 -0.036 0.000 1.239 319 W CA 0.096 57.416 57.345 -0.041 0.000 1.266 319 W CB 0.457 29.895 29.460 -0.037 0.000 1.112 319 W HN -0.026 nan 8.180 nan 0.000 0.576 320 R N 0.209 120.828 120.500 0.198 0.000 3.084 320 R HA -0.183 4.156 4.340 -0.000 0.000 0.258 320 R C -1.302 175.069 176.300 0.119 0.000 0.914 320 R CA 0.725 56.893 56.100 0.113 0.000 0.646 320 R CB -2.998 27.340 30.300 0.063 0.000 1.330 320 R HN 0.292 nan 8.270 nan 0.000 0.465 321 L N 0.634 121.934 121.223 0.128 0.000 2.313 321 L HA 0.578 4.918 4.340 -0.000 0.000 0.273 321 L C 1.155 178.123 176.870 0.164 0.000 1.028 321 L CA -0.446 54.470 54.840 0.126 0.000 0.871 321 L CB 1.852 43.964 42.059 0.088 0.000 1.242 321 L HN 0.441 nan 8.230 nan 0.000 0.434 322 G N 2.055 110.911 108.800 0.093 0.000 2.473 322 G HA2 0.744 4.704 3.960 -0.000 0.000 0.321 322 G HA3 0.744 4.704 3.960 -0.000 0.000 0.321 322 G C -1.155 173.798 174.900 0.088 0.000 1.200 322 G CA -0.489 44.641 45.100 0.051 0.000 0.963 322 G HN 0.174 nan 8.290 nan 0.000 0.483 323 V N 1.185 121.163 119.914 0.107 0.000 2.686 323 V HA 0.419 4.539 4.120 -0.000 0.000 0.306 323 V C -0.456 175.671 176.094 0.054 0.000 1.065 323 V CA -0.575 61.790 62.300 0.108 0.000 0.894 323 V CB 1.804 33.769 31.823 0.237 0.000 1.004 323 V HN 0.681 nan 8.190 nan 0.000 0.424 324 I N 3.534 124.110 120.570 0.011 0.000 2.353 324 I HA 0.738 4.908 4.170 -0.000 0.000 0.293 324 I C 0.378 176.518 176.117 0.039 0.000 0.992 324 I CA -0.251 61.065 61.300 0.026 0.000 1.268 324 I CB 1.686 39.724 38.000 0.063 0.000 1.387 324 I HN 0.771 nan 8.210 nan 0.000 0.478 325 A N 7.981 130.780 122.820 -0.035 0.000 2.343 325 A HA 0.885 5.205 4.320 -0.000 0.000 0.316 325 A C -1.005 176.471 177.584 -0.181 0.000 1.104 325 A CA -0.430 51.536 52.037 -0.119 0.000 0.768 325 A CB 1.007 19.867 19.000 -0.233 0.000 1.213 325 A HN 0.673 nan 8.150 nan 0.000 0.456 326 L N 1.994 123.168 121.223 -0.082 0.000 2.409 326 L HA 0.424 4.763 4.340 -0.000 0.000 0.262 326 L C 0.075 177.019 176.870 0.124 0.000 0.992 326 L CA -0.890 53.966 54.840 0.026 0.000 0.817 326 L CB 2.131 44.223 42.059 0.055 0.000 1.350 326 L HN 0.806 nan 8.230 nan 0.000 0.411 327 N N 1.495 120.361 118.700 0.277 0.000 2.508 327 N HA -0.020 4.720 4.740 -0.000 0.000 0.264 327 N C 0.920 176.531 175.510 0.169 0.000 1.216 327 N CA 0.098 53.311 53.050 0.271 0.000 0.943 327 N CB 1.315 39.961 38.487 0.265 0.000 1.113 327 N HN 0.809 nan 8.380 nan 0.000 0.447 328 E N 1.973 122.259 120.200 0.145 0.000 2.160 328 E HA -0.199 4.150 4.350 -0.000 0.000 0.195 328 E C 0.098 176.768 176.600 0.117 0.000 0.991 328 E CA 1.198 57.667 56.400 0.114 0.000 0.810 328 E CB 0.138 29.898 29.700 0.100 0.000 0.742 328 E HN 0.346 nan 8.360 nan 0.000 0.466 329 K N 1.461 121.947 120.400 0.142 0.000 2.389 329 K HA 0.169 4.489 4.320 -0.000 0.000 0.261 329 K C -1.312 175.381 176.600 0.155 0.000 1.014 329 K CA -0.449 55.944 56.287 0.176 0.000 0.920 329 K CB 0.676 33.304 32.500 0.214 0.000 1.149 329 K HN 0.200 nan 8.250 nan 0.000 0.444 330 N N 1.038 119.716 118.700 -0.036 0.000 2.509 330 N HA 0.106 4.845 4.740 -0.000 0.000 0.280 330 N C 0.171 175.215 175.510 -0.778 0.000 1.306 330 N CA -1.018 51.795 53.050 -0.395 0.000 0.782 330 N CB 1.420 39.919 38.487 0.020 0.000 1.493 330 N HN 0.043 nan 8.380 nan 0.000 0.498 331 V N 0.113 119.371 119.914 -1.093 0.000 2.626 331 V HA -0.042 4.078 4.120 -0.000 0.000 0.252 331 V C 0.993 176.774 176.094 -0.522 0.000 1.067 331 V CA 1.499 63.297 62.300 -0.835 0.000 1.081 331 V CB -1.039 30.339 31.823 -0.741 0.000 0.686 331 V HN 0.640 nan 8.190 nan 0.000 0.468 332 F N 0.495 120.234 119.950 -0.352 0.000 2.113 332 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 332 F C 2.371 177.978 175.800 -0.321 0.000 1.103 332 F CA 1.885 59.622 58.000 -0.439 0.000 1.248 332 F CB -0.800 37.783 39.000 -0.694 0.000 0.999 332 F HN 0.192 nan 8.300 nan 0.000 0.475 333 D N 0.053 120.452 120.400 -0.002 0.000 2.144 333 D HA -0.196 4.444 4.640 -0.000 0.000 0.199 333 D C 1.733 178.048 176.300 0.026 0.000 0.984 333 D CA 1.606 55.623 54.000 0.028 0.000 0.834 333 D CB -0.543 40.294 40.800 0.063 0.000 0.955 333 D HN 0.355 nan 8.370 nan 0.000 0.465 334 D N -0.117 120.296 120.400 0.022 0.000 2.123 334 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 334 D C 1.685 178.094 176.300 0.182 0.000 0.976 334 D CA 0.738 54.816 54.000 0.131 0.000 0.831 334 D CB 0.158 41.082 40.800 0.206 0.000 0.974 334 D HN -0.101 nan 8.370 nan 0.000 0.469 335 N N 0.095 118.814 118.700 0.032 0.000 2.166 335 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 335 N C 1.833 177.373 175.510 0.050 0.000 1.019 335 N CA 0.675 53.734 53.050 0.014 0.000 0.856 335 N CB -0.182 38.234 38.487 -0.119 0.000 0.993 335 N HN 0.389 nan 8.380 nan 0.000 0.426 336 I N 0.590 121.174 120.570 0.022 0.000 2.315 336 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 336 I C 2.112 178.260 176.117 0.051 0.000 1.117 336 I CA 0.847 62.176 61.300 0.049 0.000 1.404 336 I CB -0.222 37.808 38.000 0.049 0.000 1.071 336 I HN 0.056 nan 8.210 nan 0.000 0.419 337 A N -0.241 122.593 122.820 0.023 0.000 2.067 337 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 337 A C 1.643 179.128 177.584 -0.166 0.000 1.158 337 A CA 1.329 53.323 52.037 -0.071 0.000 0.661 337 A CB -0.895 18.034 19.000 -0.119 0.000 0.801 337 A HN 0.486 nan 8.150 nan 0.000 0.452 338 H N -0.960 118.117 119.070 0.012 0.000 2.538 338 H HA 0.417 4.973 4.556 -0.000 0.000 0.286 338 H C 0.185 175.515 175.328 0.004 0.000 1.035 338 H CA -0.284 55.768 56.048 0.006 0.000 1.169 338 H CB -0.108 29.653 29.762 -0.001 0.000 1.417 338 H HN 0.336 nan 8.280 nan 0.000 0.567 339 L N 0.251 121.522 121.223 0.081 0.000 2.468 339 L HA 0.087 4.427 4.340 -0.000 0.000 0.254 339 L C 0.564 177.447 176.870 0.021 0.000 1.171 339 L CA -0.706 54.164 54.840 0.050 0.000 0.809 339 L CB 0.580 42.670 42.059 0.052 0.000 1.155 339 L HN 0.232 nan 8.230 nan 0.000 0.473 340 D N 0.285 120.683 120.400 -0.004 0.000 2.364 340 D HA -0.055 4.585 4.640 -0.000 0.000 0.236 340 D C 0.778 177.068 176.300 -0.016 0.000 1.221 340 D CA 0.163 54.154 54.000 -0.016 0.000 0.891 340 D CB 0.683 41.460 40.800 -0.039 0.000 1.190 340 D HN 0.397 nan 8.370 nan 0.000 0.449 341 K N 0.471 120.862 120.400 -0.016 0.000 2.097 341 K HA -0.120 4.199 4.320 -0.000 0.000 0.206 341 K C 1.747 178.335 176.600 -0.020 0.000 1.049 341 K CA 0.609 56.887 56.287 -0.016 0.000 0.933 341 K CB -0.079 32.411 32.500 -0.017 0.000 0.717 341 K HN 0.195 nan 8.250 nan 0.000 0.442 342 V N 1.292 121.188 119.914 -0.030 0.000 2.379 342 V HA -0.205 3.914 4.120 -0.000 0.000 0.245 342 V C 1.607 177.670 176.094 -0.051 0.000 1.044 342 V CA 1.814 64.093 62.300 -0.036 0.000 1.036 342 V CB -0.121 31.678 31.823 -0.040 0.000 0.664 342 V HN 0.358 nan 8.190 nan 0.000 0.453 343 E N -0.236 119.905 120.200 -0.097 0.000 2.072 343 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 343 E C 2.190 178.792 176.600 0.002 0.000 0.985 343 E CA 1.451 57.745 56.400 -0.176 0.000 0.801 343 E CB -0.171 29.346 29.700 -0.304 0.000 0.750 343 E HN 0.546 nan 8.360 nan 0.000 0.452 344 L N 0.563 121.802 121.223 0.028 0.000 2.141 344 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 344 L C 2.591 179.522 176.870 0.102 0.000 1.094 344 L CA 0.739 55.627 54.840 0.080 0.000 0.763 344 L CB -0.182 41.906 42.059 0.049 0.000 0.908 344 L HN 0.030 nan 8.230 nan 0.000 0.437 345 R N 0.059 120.591 120.500 0.054 0.000 2.092 345 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 345 R C 2.251 178.611 176.300 0.101 0.000 1.119 345 R CA 1.395 57.523 56.100 0.047 0.000 0.970 345 R CB -0.549 29.748 30.300 -0.006 0.000 0.864 345 R HN 0.256 nan 8.270 nan 0.000 0.440 346 Q N 0.446 120.300 119.800 0.091 0.000 2.079 346 Q HA -0.095 4.245 4.340 -0.000 0.000 0.200 346 Q C 2.000 178.080 176.000 0.133 0.000 0.974 346 Q CA 1.666 57.533 55.803 0.108 0.000 0.840 346 Q CB -0.134 28.676 28.738 0.120 0.000 0.898 346 Q HN 0.476 nan 8.270 nan 0.000 0.430 347 L N -0.368 120.970 121.223 0.192 0.000 2.141 347 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 347 L C 2.522 179.529 176.870 0.227 0.000 1.094 347 L CA 1.319 56.288 54.840 0.214 0.000 0.763 347 L CB -0.532 41.701 42.059 0.291 0.000 0.908 347 L HN 0.365 nan 8.230 nan 0.000 0.437 348 H N 0.641 119.779 119.070 0.113 0.000 2.270 348 H HA -0.153 4.402 4.556 -0.000 0.000 0.299 348 H C 2.285 177.649 175.328 0.061 0.000 1.077 348 H CA 1.769 57.875 56.048 0.097 0.000 1.294 348 H CB 0.199 29.999 29.762 0.062 0.000 1.371 348 H HN 0.061 nan 8.280 nan 0.000 0.491 349 K N 0.099 120.624 120.400 0.209 0.000 2.103 349 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 349 K C 2.454 179.031 176.600 -0.040 0.000 1.048 349 K CA 1.369 57.713 56.287 0.096 0.000 0.930 349 K CB -0.125 32.425 32.500 0.084 0.000 0.716 349 K HN 0.279 nan 8.250 nan 0.000 0.444 350 R N 0.182 120.613 120.500 -0.116 0.000 2.080 350 R HA -0.184 4.156 4.340 -0.000 0.000 0.236 350 R C 1.599 177.619 176.300 -0.468 0.000 1.137 350 R CA 1.819 57.710 56.100 -0.349 0.000 0.943 350 R CB -0.141 29.828 30.300 -0.553 0.000 0.846 350 R HN 0.231 nan 8.270 nan 0.000 0.431 351 Y N -0.145 120.090 120.300 -0.108 0.000 2.500 351 Y HA 0.082 4.632 4.550 0.000 0.000 0.270 351 Y C 2.411 178.222 175.900 -0.149 0.000 1.134 351 Y CA 0.630 58.639 58.100 -0.152 0.000 1.293 351 Y CB 0.286 38.645 38.460 -0.168 0.000 1.063 351 Y HN 0.211 nan 8.280 nan 0.000 0.534 352 S N -0.723 114.936 115.700 -0.068 0.000 2.474 352 S HA -0.178 4.292 4.470 -0.000 0.000 0.235 352 S C 1.999 176.583 174.600 -0.026 0.000 0.997 352 S CA 1.039 59.177 58.200 -0.104 0.000 0.949 352 S CB -0.788 62.298 63.200 -0.191 0.000 0.766 352 S HN 0.460 nan 8.310 nan 0.000 0.517 353 S N 1.596 117.284 115.700 -0.019 0.000 2.453 353 S HA -0.007 4.463 4.470 -0.000 0.000 0.231 353 S C 1.692 176.316 174.600 0.039 0.000 1.005 353 S CA 0.704 58.906 58.200 0.004 0.000 0.949 353 S CB -0.605 62.586 63.200 -0.015 0.000 0.774 353 S HN 1.004 nan 8.310 nan 0.000 0.510 354 V N -1.384 118.563 119.914 0.054 0.000 3.548 354 V HA 0.555 4.674 4.120 -0.000 0.000 0.279 354 V C 0.300 176.512 176.094 0.197 0.000 1.446 354 V CA 0.085 62.464 62.300 0.131 0.000 1.023 354 V CB 0.004 31.864 31.823 0.061 0.000 0.820 354 V HN 0.562 nan 8.190 nan 0.000 0.438 355 V N -2.102 117.881 119.914 0.114 0.000 2.925 355 V HA 0.586 4.705 4.120 -0.000 0.000 0.311 355 V C 0.823 176.941 176.094 0.040 0.000 1.104 355 V CA -0.599 61.764 62.300 0.104 0.000 0.954 355 V CB 2.056 33.932 31.823 0.087 0.000 1.022 355 V HN 0.131 nan 8.190 nan 0.000 0.427 356 L N 0.547 121.794 121.223 0.039 0.000 2.093 356 L HA 0.156 4.496 4.340 -0.000 0.000 0.208 356 L C 1.043 177.917 176.870 0.006 0.000 1.085 356 L CA 1.696 56.549 54.840 0.022 0.000 0.755 356 L CB 0.006 42.081 42.059 0.027 0.000 0.904 356 L HN 0.879 nan 8.230 nan 0.000 0.435 357 D N -0.734 119.667 120.400 0.002 0.000 2.517 357 D HA 0.142 4.782 4.640 -0.000 0.000 0.301 357 D C -1.529 174.755 176.300 -0.027 0.000 1.202 357 D CA -2.009 51.992 54.000 0.001 0.000 0.910 357 D CB 0.757 41.568 40.800 0.018 0.000 1.021 357 D HN -0.067 nan 8.370 nan 0.000 0.499 358 P HA -0.119 nan 4.420 nan 0.000 0.216 358 P C 0.719 178.001 177.300 -0.030 0.000 1.150 358 P CA 0.846 63.896 63.100 -0.083 0.000 0.837 358 P CB 0.541 32.129 31.700 -0.186 0.000 0.786 359 D N -0.138 120.283 120.400 0.035 0.000 2.221 359 D HA -0.087 4.553 4.640 -0.000 0.000 0.204 359 D C 1.053 177.372 176.300 0.031 0.000 0.982 359 D CA 1.244 55.292 54.000 0.080 0.000 0.857 359 D CB -0.128 40.748 40.800 0.128 0.000 0.934 359 D HN 0.365 nan 8.370 nan 0.000 0.475 363 F N 1.975 121.849 119.950 -0.126 0.000 2.120 363 F HA -0.187 4.340 4.527 -0.000 0.000 0.300 363 F C 1.828 177.524 175.800 -0.173 0.000 1.095 363 F CA 1.734 59.645 58.000 -0.148 0.000 1.249 363 F CB -0.039 38.914 39.000 -0.078 0.000 0.995 363 F HN 0.678 nan 8.300 nan 0.000 0.480 364 I N 0.646 121.135 120.570 -0.134 0.000 2.248 364 I HA -0.327 3.843 4.170 -0.000 0.000 0.248 364 I C 1.983 177.901 176.117 -0.332 0.000 1.107 364 I CA 1.920 63.102 61.300 -0.197 0.000 1.373 364 I CB -0.674 37.302 38.000 -0.040 0.000 1.055 364 I HN 0.127 nan 8.210 nan 0.000 0.418 365 D N -0.209 120.018 120.400 -0.289 0.000 2.194 365 D HA -0.079 4.561 4.640 -0.000 0.000 0.204 365 D C 2.325 178.330 176.300 -0.491 0.000 0.964 365 D CA 0.727 54.538 54.000 -0.315 0.000 0.846 365 D CB -0.136 40.557 40.800 -0.178 0.000 0.962 365 D HN 0.404 nan 8.370 nan 0.000 0.490 366 R N 0.396 120.564 120.500 -0.554 0.000 2.081 366 R HA -0.015 4.325 4.340 -0.000 0.000 0.235 366 R C 2.566 178.544 176.300 -0.537 0.000 1.131 366 R CA 0.487 56.214 56.100 -0.621 0.000 0.960 366 R CB -0.352 29.588 30.300 -0.599 0.000 0.856 366 R HN 0.177 nan 8.270 nan 0.000 0.436 367 L N 0.070 120.889 121.223 -0.673 0.000 2.013 367 L HA -0.322 4.018 4.340 -0.000 0.000 0.212 367 L C 2.884 179.435 176.870 -0.530 0.000 1.073 367 L CA 1.334 55.850 54.840 -0.540 0.000 0.753 367 L CB -0.558 41.237 42.059 -0.440 0.000 0.890 367 L HN 0.397 nan 8.230 nan 0.000 0.432 368 C N -0.303 118.492 119.300 -0.843 0.000 2.453 368 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 368 C C 3.120 177.895 174.990 -0.358 0.000 1.262 368 C CA 0.740 59.229 59.018 -0.882 0.000 1.718 368 C CB -0.781 26.421 27.740 -0.897 0.000 2.031 368 C HN 0.570 nan 8.230 nan 0.000 0.480 369 A N 0.393 122.941 122.820 -0.454 0.000 1.902 369 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 369 A C 1.848 179.304 177.584 -0.213 0.000 1.181 369 A CA 2.267 54.003 52.037 -0.501 0.000 0.623 369 A CB -0.740 17.679 19.000 -0.969 0.000 0.818 369 A HN 0.667 nan 8.150 nan 0.000 0.443 370 D N 0.099 120.393 120.400 -0.178 0.000 2.144 370 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 370 D C 2.440 178.733 176.300 -0.012 0.000 0.978 370 D CA 1.663 55.622 54.000 -0.067 0.000 0.833 370 D CB -0.420 40.324 40.800 -0.093 0.000 0.961 370 D HN 0.595 nan 8.370 nan 0.000 0.470 371 S N 0.180 115.777 115.700 -0.171 0.000 2.400 371 S HA -0.118 4.351 4.470 -0.000 0.000 0.232 371 S C 1.493 176.042 174.600 -0.085 0.000 1.025 371 S CA 0.732 58.752 58.200 -0.299 0.000 0.993 371 S CB 0.021 62.753 63.200 -0.780 0.000 0.808 371 S HN 0.030 nan 8.310 nan 0.000 0.478 372 R N 0.962 121.438 120.500 -0.041 0.000 2.767 372 R HA 0.404 4.743 4.340 -0.000 0.000 0.377 372 R C 0.073 176.378 176.300 0.009 0.000 1.151 372 R CA 0.123 56.230 56.100 0.011 0.000 1.046 372 R CB -0.654 29.666 30.300 0.033 0.000 1.404 372 R HN 0.400 nan 8.270 nan 0.000 0.580 373 S N 1.388 117.096 115.700 0.014 0.000 3.549 373 S HA -0.189 4.281 4.470 -0.000 0.000 0.366 373 S C 1.195 175.775 174.600 -0.033 0.000 1.012 373 S CA 0.707 58.913 58.200 0.011 0.000 1.141 373 S CB -1.059 62.152 63.200 0.018 0.000 0.910 373 S HN 0.513 nan 8.310 nan 0.000 0.471 374 I N -2.698 117.833 120.570 -0.065 0.000 4.701 374 I HA -0.383 3.787 4.170 -0.000 0.000 0.046 374 I C 2.245 178.330 176.117 -0.054 0.000 0.626 374 I CA 2.306 63.545 61.300 -0.101 0.000 0.723 374 I CB -2.418 35.488 38.000 -0.156 0.000 0.675 374 I HN 0.564 nan 8.210 nan 0.000 0.157 375 G N 1.358 110.135 108.800 -0.039 0.000 2.475 375 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.220 375 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.220 375 G C 1.370 176.261 174.900 -0.016 0.000 1.125 375 G CA 1.310 46.397 45.100 -0.022 0.000 0.755 375 G HN 0.454 nan 8.290 nan 0.000 0.565 376 L N -0.328 120.891 121.223 -0.006 0.000 2.741 376 L HA 0.305 4.645 4.340 -0.000 0.000 0.237 376 L C 1.801 178.673 176.870 0.003 0.000 1.178 376 L CA -0.543 54.295 54.840 -0.005 0.000 0.973 376 L CB -0.010 42.055 42.059 0.011 0.000 1.255 376 L HN 0.157 nan 8.230 nan 0.000 0.498 377 Y N 0.745 120.927 120.300 -0.197 0.000 2.193 377 Y HA -0.289 4.261 4.550 -0.000 0.000 0.285 377 Y C 2.037 177.797 175.900 -0.233 0.000 1.166 377 Y CA 1.706 59.650 58.100 -0.260 0.000 1.181 377 Y CB -0.399 37.832 38.460 -0.381 0.000 0.976 377 Y HN 0.361 nan 8.280 nan 0.000 0.520 378 H N -1.459 117.498 119.070 -0.189 0.000 2.547 378 H HA 0.086 4.642 4.556 -0.000 0.000 0.266 378 H C 1.040 176.207 175.328 -0.268 0.000 0.988 378 H CA 0.937 56.797 56.048 -0.315 0.000 1.147 378 H CB 0.105 29.722 29.762 -0.241 0.000 1.365 378 H HN 0.352 nan 8.280 nan 0.000 0.589 379 T N -2.529 111.953 114.554 -0.119 0.000 3.231 379 T HA 0.550 4.900 4.350 -0.000 0.000 0.292 379 T C 0.715 175.434 174.700 0.032 0.000 1.001 379 T CA -0.271 61.750 62.100 -0.131 0.000 0.920 379 T CB 0.183 68.865 68.868 -0.311 0.000 1.140 379 T HN 0.263 nan 8.240 nan 0.000 0.525 380 A N 0.653 123.481 122.820 0.014 0.000 2.280 380 A HA 0.884 5.204 4.320 -0.000 0.000 0.268 380 A C 1.015 178.673 177.584 0.123 0.000 1.111 380 A CA 0.164 52.248 52.037 0.078 0.000 0.814 380 A CB -0.455 18.594 19.000 0.083 0.000 1.093 380 A HN 1.716 nan 8.150 nan 0.000 0.498 381 G N -1.993 106.931 108.800 0.206 0.000 2.570 381 G HA2 0.345 4.305 3.960 -0.000 0.000 0.686 381 G HA3 0.345 4.305 3.960 -0.000 0.000 0.686 381 G C -0.884 174.155 174.900 0.231 0.000 1.257 381 G CA -0.276 44.987 45.100 0.272 0.000 0.846 381 G HN 1.691 nan 8.290 nan 0.000 0.627 382 L N 1.318 122.669 121.223 0.214 0.000 2.417 382 L HA 0.653 4.993 4.340 -0.000 0.000 0.268 382 L C 1.604 178.556 176.870 0.136 0.000 1.158 382 L CA 0.656 55.586 54.840 0.151 0.000 0.819 382 L CB 1.159 43.281 42.059 0.104 0.000 1.112 382 L HN 1.677 nan 8.230 nan 0.000 0.458 383 S N 1.427 117.203 115.700 0.126 0.000 2.558 383 S HA -0.030 4.439 4.470 -0.000 0.000 0.287 383 S C 1.360 176.026 174.600 0.110 0.000 1.321 383 S CA 0.162 58.434 58.200 0.119 0.000 1.048 383 S CB 0.261 63.536 63.200 0.124 0.000 0.844 383 S HN 0.903 nan 8.310 nan 0.000 0.512 384 T N -0.272 114.347 114.554 0.109 0.000 2.821 384 T HA 0.017 4.367 4.350 -0.000 0.000 0.267 384 T C -1.077 173.694 174.700 0.118 0.000 1.046 384 T CA 1.007 63.170 62.100 0.106 0.000 1.139 384 T CB -1.857 67.073 68.868 0.102 0.000 0.871 384 T HN 0.555 nan 8.240 nan 0.000 0.454 385 P HA -0.048 nan 4.420 nan 0.000 0.216 385 P C 1.826 179.071 177.300 -0.091 0.000 1.150 385 P CA 1.210 64.441 63.100 0.219 0.000 0.837 385 P CB -0.155 31.772 31.700 0.379 0.000 0.786 386 Q N -0.691 119.122 119.800 0.022 0.000 2.079 386 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 386 Q C 2.373 178.251 176.000 -0.204 0.000 0.974 386 Q CA 1.273 57.029 55.803 -0.079 0.000 0.840 386 Q CB -0.403 28.401 28.738 0.111 0.000 0.898 386 Q HN 0.404 nan 8.270 nan 0.000 0.430 387 Q N -0.158 119.590 119.800 -0.087 0.000 2.124 387 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 387 Q C 0.763 176.662 176.000 -0.168 0.000 0.977 387 Q CA 0.445 56.200 55.803 -0.080 0.000 0.850 387 Q CB 0.099 28.852 28.738 0.024 0.000 0.901 387 Q HN 0.273 nan 8.270 nan 0.000 0.429 391 A N 1.606 124.161 122.820 -0.443 0.000 1.902 391 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 391 A C 2.129 179.453 177.584 -0.433 0.000 1.181 391 A CA 1.246 53.089 52.037 -0.324 0.000 0.623 391 A CB -0.556 18.296 19.000 -0.247 0.000 0.818 391 A HN 0.144 nan 8.150 nan 0.000 0.443 392 L N -2.160 118.698 121.223 -0.608 0.000 2.072 392 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 392 L C 2.445 179.072 176.870 -0.404 0.000 1.079 392 L CA 1.021 55.554 54.840 -0.512 0.000 0.752 392 L CB -0.574 41.140 42.059 -0.574 0.000 0.906 392 L HN 0.324 nan 8.230 nan 0.000 0.436 393 F N 0.229 119.800 119.950 -0.633 0.000 2.171 393 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 393 F C 2.029 177.440 175.800 -0.649 0.000 1.090 393 F CA 0.254 57.759 58.000 -0.825 0.000 1.293 393 F CB -0.874 37.238 39.000 -1.480 0.000 1.013 393 F HN -0.072 nan 8.300 nan 0.000 0.486 397 H N 1.834 121.037 119.070 0.221 0.000 2.307 397 H HA 0.376 4.932 4.556 -0.000 0.000 0.303 397 H C 2.084 177.518 175.328 0.177 0.000 1.073 397 H CA 1.904 58.118 56.048 0.277 0.000 1.338 397 H CB -0.486 29.591 29.762 0.525 0.000 1.389 397 H HN 0.327 nan 8.280 nan 0.000 0.503 398 L N -0.014 121.267 121.223 0.096 0.000 2.129 398 L HA -0.193 4.146 4.340 -0.000 0.000 0.212 398 L C 2.327 179.022 176.870 -0.292 0.000 1.087 398 L CA 1.048 55.834 54.840 -0.091 0.000 0.757 398 L CB -0.348 41.623 42.059 -0.148 0.000 0.896 398 L HN 0.363 nan 8.230 nan 0.000 0.434 399 L N -0.869 120.203 121.223 -0.251 0.000 2.313 399 L HA -0.073 4.267 4.340 -0.000 0.000 0.214 399 L C 1.933 178.781 176.870 -0.037 0.000 1.119 399 L CA 1.393 56.138 54.840 -0.158 0.000 0.809 399 L CB -0.262 41.773 42.059 -0.039 0.000 0.933 399 L HN 0.432 nan 8.230 nan 0.000 0.449 400 T N -5.199 109.322 114.554 -0.054 0.000 3.144 400 T HA 0.127 4.477 4.350 -0.000 0.000 0.290 400 T C 0.649 175.298 174.700 -0.085 0.000 0.966 400 T CA -0.027 62.056 62.100 -0.029 0.000 0.907 400 T CB -0.032 68.849 68.868 0.022 0.000 1.152 400 T HN 0.151 nan 8.240 nan 0.000 0.532 401 S N 2.159 117.732 115.700 -0.211 0.000 2.573 401 S HA 0.514 4.983 4.470 -0.000 0.000 0.277 401 S C 0.428 174.983 174.600 -0.074 0.000 1.346 401 S CA 0.108 58.149 58.200 -0.265 0.000 1.034 401 S CB 0.706 63.629 63.200 -0.462 0.000 0.879 401 S HN 0.810 nan 8.310 nan 0.000 0.528 402 T N -1.831 112.708 114.554 -0.026 0.000 2.716 402 T HA 0.539 4.889 4.350 -0.000 0.000 0.286 402 T C -0.113 174.604 174.700 0.028 0.000 1.052 402 T CA -0.596 61.508 62.100 0.008 0.000 1.024 402 T CB 0.414 69.287 68.868 0.009 0.000 1.349 402 T HN 0.909 nan 8.240 nan 0.000 0.525 403 N N 0.012 118.728 118.700 0.026 0.000 2.707 403 N HA -0.163 4.576 4.740 -0.000 0.000 0.253 403 N C 1.126 176.661 175.510 0.041 0.000 0.998 403 N CA 2.252 55.320 53.050 0.030 0.000 0.751 403 N CB -1.399 37.105 38.487 0.028 0.000 0.920 403 N HN 1.932 nan 8.380 nan 0.000 0.539 404 G N -1.899 106.926 108.800 0.042 0.000 2.184 404 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.264 404 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.264 404 G C 1.457 176.398 174.900 0.068 0.000 0.975 404 G CA 0.976 46.107 45.100 0.052 0.000 0.642 404 G HN 1.830 nan 8.290 nan 0.000 0.536 405 G N -1.909 106.938 108.800 0.078 0.000 2.480 405 G HA2 -0.032 3.927 3.960 -0.000 0.000 0.193 405 G HA3 -0.032 3.927 3.960 -0.000 0.000 0.193 405 G C 1.337 176.362 174.900 0.209 0.000 1.004 405 G CA 1.074 46.252 45.100 0.130 0.000 0.696 405 G HN 1.318 nan 8.290 nan 0.000 0.478 406 S N 0.835 116.610 115.700 0.125 0.000 2.383 406 S HA 0.074 4.543 4.470 -0.000 0.000 0.229 406 S C 0.849 175.522 174.600 0.123 0.000 1.030 406 S CA 1.635 59.895 58.200 0.101 0.000 1.002 406 S CB -0.082 63.161 63.200 0.073 0.000 0.829 406 S HN 0.661 nan 8.310 nan 0.000 0.467 407 D N 0.788 121.265 120.400 0.129 0.000 2.384 407 D HA 0.631 5.271 4.640 -0.000 0.000 0.250 407 D C -0.495 175.898 176.300 0.156 0.000 1.029 407 D CA -0.517 53.545 54.000 0.103 0.000 0.990 407 D CB 1.254 42.076 40.800 0.036 0.000 1.175 407 D HN 0.301 nan 8.370 nan 0.000 0.532 408 D N -3.040 117.429 120.400 0.116 0.000 2.671 408 D HA 0.254 4.894 4.640 -0.000 0.000 0.273 408 D C -2.626 173.715 176.300 0.068 0.000 1.264 408 D CA -1.185 52.873 54.000 0.097 0.000 0.788 408 D CB 1.099 42.004 40.800 0.175 0.000 1.324 408 D HN -0.058 nan 8.370 nan 0.000 0.424 409 P HA -0.097 nan 4.420 nan 0.000 0.218 409 P C 0.993 178.321 177.300 0.046 0.000 1.148 409 P CA 1.075 64.202 63.100 0.044 0.000 0.822 409 P CB -0.099 31.633 31.700 0.053 0.000 0.784 410 Y N 0.244 120.529 120.300 -0.025 0.000 2.220 410 Y HA -0.101 4.449 4.550 -0.000 0.000 0.291 410 Y C 2.058 177.869 175.900 -0.149 0.000 1.129 410 Y CA 1.270 59.333 58.100 -0.063 0.000 1.161 410 Y CB -0.920 37.534 38.460 -0.010 0.000 0.997 410 Y HN -0.207 nan 8.280 nan 0.000 0.522 411 I N 0.267 120.723 120.570 -0.190 0.000 2.286 411 I HA -0.316 3.853 4.170 -0.000 0.000 0.248 411 I C 1.766 177.674 176.117 -0.348 0.000 1.115 411 I CA 1.620 62.707 61.300 -0.355 0.000 1.392 411 I CB -0.422 37.477 38.000 -0.169 0.000 1.065 411 I HN 0.210 nan 8.210 nan 0.000 0.418 412 D N 0.881 121.155 120.400 -0.209 0.000 2.178 412 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 412 D C 2.227 178.391 176.300 -0.227 0.000 0.980 412 D CA 1.291 55.187 54.000 -0.173 0.000 0.842 412 D CB -0.124 40.619 40.800 -0.095 0.000 0.948 412 D HN 0.359 nan 8.370 nan 0.000 0.472 413 I N 0.968 121.367 120.570 -0.286 0.000 2.286 413 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 413 I C 2.444 178.275 176.117 -0.476 0.000 1.104 413 I CA 0.822 61.927 61.300 -0.325 0.000 1.397 413 I CB -0.120 37.711 38.000 -0.282 0.000 1.072 413 I HN -0.086 nan 8.210 nan 0.000 0.417 414 A N 0.900 123.310 122.820 -0.683 0.000 1.902 414 A HA -0.189 4.130 4.320 -0.000 0.000 0.217 414 A C 2.386 179.708 177.584 -0.437 0.000 1.181 414 A CA 1.412 52.979 52.037 -0.783 0.000 0.623 414 A CB -0.539 17.906 19.000 -0.924 0.000 0.818 414 A HN 0.295 nan 8.150 nan 0.000 0.443 415 R N -0.704 119.596 120.500 -0.334 0.000 2.096 415 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 415 R C 2.265 178.490 176.300 -0.124 0.000 1.127 415 R CA 1.672 57.697 56.100 -0.126 0.000 0.968 415 R CB -0.217 30.008 30.300 -0.125 0.000 0.861 415 R HN 0.504 nan 8.270 nan 0.000 0.440 416 K N 0.453 120.739 120.400 -0.189 0.000 2.103 416 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 416 K C 1.951 178.434 176.600 -0.194 0.000 1.052 416 K CA 0.629 56.816 56.287 -0.167 0.000 0.945 416 K CB -0.059 32.346 32.500 -0.157 0.000 0.722 416 K HN -0.025 nan 8.250 nan 0.000 0.443 417 L N 0.649 121.711 121.223 -0.267 0.000 1.994 417 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 417 L C 2.045 178.752 176.870 -0.271 0.000 1.071 417 L CA 1.738 56.405 54.840 -0.289 0.000 0.745 417 L CB -0.594 41.203 42.059 -0.437 0.000 0.892 417 L HN 0.152 nan 8.230 nan 0.000 0.431 418 V N -3.816 115.934 119.914 -0.274 0.000 2.515 418 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 418 V C 2.450 178.440 176.094 -0.174 0.000 1.058 418 V CA 1.839 63.996 62.300 -0.238 0.000 1.064 418 V CB -1.220 30.475 31.823 -0.213 0.000 0.675 418 V HN 0.515 nan 8.190 nan 0.000 0.461 419 S N 0.258 115.856 115.700 -0.169 0.000 2.387 419 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 419 S C 2.001 176.485 174.600 -0.194 0.000 1.026 419 S CA 1.560 59.587 58.200 -0.288 0.000 0.972 419 S CB -0.325 62.707 63.200 -0.280 0.000 0.814 419 S HN 0.786 nan 8.310 nan 0.000 0.477 420 E N 1.449 121.552 120.200 -0.163 0.000 2.072 420 E HA -0.012 4.338 4.350 -0.000 0.000 0.190 420 E C 2.169 178.691 176.600 -0.130 0.000 0.982 420 E CA 1.288 57.614 56.400 -0.123 0.000 0.803 420 E CB -0.214 29.419 29.700 -0.113 0.000 0.755 420 E HN 0.474 nan 8.360 nan 0.000 0.453 421 R N -1.082 119.276 120.500 -0.237 0.000 2.092 421 R HA -0.121 4.219 4.340 -0.000 0.000 0.231 421 R C 2.288 178.383 176.300 -0.342 0.000 1.119 421 R CA 1.357 57.172 56.100 -0.475 0.000 0.970 421 R CB -0.521 29.189 30.300 -0.983 0.000 0.864 421 R HN 0.289 nan 8.270 nan 0.000 0.440 422 Y N 2.073 122.196 120.300 -0.295 0.000 2.145 422 Y HA -0.226 4.323 4.550 -0.000 0.000 0.286 422 Y C 1.687 177.622 175.900 0.060 0.000 1.145 422 Y CA 1.712 59.765 58.100 -0.078 0.000 1.148 422 Y CB -0.117 38.270 38.460 -0.121 0.000 0.981 422 Y HN -0.024 nan 8.280 nan 0.000 0.507 423 D N -0.100 120.374 120.400 0.124 0.000 2.117 423 D HA -0.188 4.452 4.640 -0.000 0.000 0.197 423 D C 2.075 178.389 176.300 0.023 0.000 0.987 423 D CA 1.442 55.475 54.000 0.055 0.000 0.829 423 D CB -0.413 40.396 40.800 0.016 0.000 0.961 423 D HN 0.369 nan 8.370 nan 0.000 0.460 424 Q N 0.172 119.978 119.800 0.010 0.000 2.061 424 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 424 Q C 2.080 178.101 176.000 0.036 0.000 0.984 424 Q CA 0.836 56.656 55.803 0.030 0.000 0.846 424 Q CB -0.503 28.268 28.738 0.055 0.000 0.902 424 Q HN 0.228 nan 8.270 nan 0.000 0.421 425 L N -0.536 120.706 121.223 0.032 0.000 1.989 425 L HA -0.209 4.130 4.340 -0.000 0.000 0.211 425 L C 1.834 178.611 176.870 -0.155 0.000 1.071 425 L CA 2.174 56.994 54.840 -0.034 0.000 0.749 425 L CB -0.685 41.329 42.059 -0.075 0.000 0.890 425 L HN 0.357 nan 8.230 nan 0.000 0.431 426 H N -0.706 118.257 119.070 -0.179 0.000 2.357 426 H HA -0.103 4.453 4.556 -0.000 0.000 0.301 426 H C 1.910 177.187 175.328 -0.085 0.000 1.082 426 H CA 1.650 57.593 56.048 -0.175 0.000 1.342 426 H CB -0.156 29.426 29.762 -0.300 0.000 1.389 426 H HN 0.384 nan 8.280 nan 0.000 0.511 427 D N 0.831 121.263 120.400 0.052 0.000 2.117 427 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 427 D C 1.307 177.614 176.300 0.013 0.000 0.987 427 D CA 1.020 55.037 54.000 0.029 0.000 0.829 427 D CB -0.527 40.286 40.800 0.022 0.000 0.961 427 D HN 0.376 nan 8.370 nan 0.000 0.460 431 A N 1.409 124.254 122.820 0.043 0.000 2.304 431 A HA 0.835 5.154 4.320 -0.000 0.000 0.301 431 A C -2.304 175.377 177.584 0.162 0.000 1.132 431 A CA -1.418 50.672 52.037 0.087 0.000 0.819 431 A CB 0.166 19.186 19.000 0.033 0.000 1.094 431 A HN 0.036 nan 8.150 nan 0.000 0.492 432 P HA 0.263 nan 4.420 nan 0.000 0.276 432 P C -0.878 176.472 177.300 0.084 0.000 1.230 432 P CA 0.045 63.205 63.100 0.099 0.000 0.776 432 P CB 0.648 32.398 31.700 0.083 0.000 0.888 433 K N 1.406 121.815 120.400 0.014 0.000 2.166 433 K HA 0.402 4.722 4.320 -0.000 0.000 0.245 433 K C -0.483 176.164 176.600 0.077 0.000 0.967 433 K CA -0.733 55.531 56.287 -0.039 0.000 0.863 433 K CB 1.116 33.605 32.500 -0.017 0.000 1.107 433 K HN 0.352 nan 8.250 nan 0.000 0.436 434 D N 1.927 122.415 120.400 0.147 0.000 2.441 434 D HA 0.075 4.715 4.640 -0.000 0.000 0.231 434 D C -0.389 175.965 176.300 0.091 0.000 1.073 434 D CA -0.233 53.825 54.000 0.095 0.000 0.850 434 D CB 0.921 41.767 40.800 0.078 0.000 1.062 434 D HN 0.330 nan 8.370 nan 0.000 0.524 435 E N 2.407 122.652 120.200 0.074 0.000 2.496 435 E HA 0.122 4.472 4.350 -0.000 0.000 0.202 435 E C 0.018 176.646 176.600 0.046 0.000 1.021 435 E CA -0.135 56.315 56.400 0.083 0.000 1.015 435 E CB 0.513 30.235 29.700 0.036 0.000 1.102 435 E HN 0.397 nan 8.360 nan 0.000 0.452 436 T N 1.069 115.630 114.554 0.011 0.000 2.868 436 T HA -0.019 4.331 4.350 -0.000 0.000 0.292 436 T C 1.044 175.720 174.700 -0.040 0.000 1.028 436 T CA -0.288 61.801 62.100 -0.018 0.000 1.059 436 T CB 1.077 69.932 68.868 -0.022 0.000 0.991 436 T HN 0.012 nan 8.240 nan 0.000 0.531 437 D N 0.648 121.032 120.400 -0.027 0.000 2.350 437 D HA -0.089 4.551 4.640 -0.000 0.000 0.216 437 D C 1.833 178.119 176.300 -0.023 0.000 0.968 437 D CA 1.054 55.042 54.000 -0.020 0.000 0.894 437 D CB -0.049 40.746 40.800 -0.008 0.000 0.909 437 D HN 0.653 nan 8.370 nan 0.000 0.520 438 T N -3.456 111.077 114.554 -0.035 0.000 3.069 438 T HA 0.104 4.454 4.350 -0.000 0.000 0.252 438 T C 0.719 175.372 174.700 -0.079 0.000 1.053 438 T CA -0.635 61.455 62.100 -0.016 0.000 0.964 438 T CB -0.012 68.868 68.868 0.019 0.000 1.005 438 T HN -0.092 nan 8.240 nan 0.000 0.532 439 N N 2.325 120.904 118.700 -0.202 0.000 2.426 439 N HA 0.155 4.895 4.740 -0.000 0.000 0.275 439 N C 1.229 176.407 175.510 -0.554 0.000 1.019 439 N CA 0.181 52.999 53.050 -0.386 0.000 0.941 439 N CB 2.053 40.230 38.487 -0.515 0.000 1.123 439 N HN 0.372 nan 8.380 nan 0.000 0.486 440 T N 0.321 114.666 114.554 -0.348 0.000 3.023 440 T HA -0.033 4.316 4.350 -0.000 0.000 0.266 440 T C 0.331 174.892 174.700 -0.232 0.000 1.093 440 T CA 0.976 62.963 62.100 -0.188 0.000 1.129 440 T CB -0.427 68.397 68.868 -0.074 0.000 0.899 440 T HN 0.840 nan 8.240 nan 0.000 0.491 441 H N -2.132 116.816 119.070 -0.203 0.000 3.047 441 H HA -0.220 4.336 4.556 -0.000 0.000 0.263 441 H C 0.592 175.817 175.328 -0.172 0.000 1.168 441 H CA 0.887 56.744 56.048 -0.320 0.000 1.152 441 H CB -2.389 27.089 29.762 -0.473 0.000 1.278 441 H HN 0.499 nan 8.280 nan 0.000 0.339 442 Y N -0.172 119.960 120.300 -0.279 0.000 2.220 442 Y HA 0.017 4.567 4.550 -0.000 0.000 0.291 442 Y C 0.573 176.140 175.900 -0.556 0.000 1.129 442 Y CA 1.174 58.951 58.100 -0.539 0.000 1.161 442 Y CB 0.443 38.360 38.460 -0.905 0.000 0.997 442 Y HN 0.188 nan 8.280 nan 0.000 0.522 443 Y N -1.290 119.086 120.300 0.126 0.000 2.598 443 Y HA 0.510 5.060 4.550 -0.000 0.000 0.340 443 Y C -0.176 175.854 175.900 0.217 0.000 1.038 443 Y CA -1.275 56.925 58.100 0.167 0.000 1.100 443 Y CB 1.754 40.308 38.460 0.156 0.000 1.281 443 Y HN -0.272 nan 8.280 nan 0.000 0.488 444 S N 1.298 117.239 115.700 0.401 0.000 2.548 444 S HA 0.790 5.260 4.470 -0.000 0.000 0.286 444 S C -1.435 173.300 174.600 0.224 0.000 1.098 444 S CA -0.939 57.473 58.200 0.352 0.000 0.930 444 S CB 1.609 65.038 63.200 0.382 0.000 1.070 444 S HN 0.536 nan 8.310 nan 0.000 0.480 445 L N 2.470 123.805 121.223 0.187 0.000 2.343 445 L HA 0.588 4.928 4.340 -0.000 0.000 0.278 445 L C -1.233 175.688 176.870 0.084 0.000 0.996 445 L CA -0.496 54.405 54.840 0.101 0.000 0.831 445 L CB 1.116 43.222 42.059 0.079 0.000 1.232 445 L HN 0.625 nan 8.230 nan 0.000 0.413 446 I N 2.318 122.900 120.570 0.019 0.000 2.418 446 I HA 0.210 4.380 4.170 -0.000 0.000 0.287 446 I C -0.407 175.682 176.117 -0.047 0.000 1.008 446 I CA -0.549 60.747 61.300 -0.006 0.000 1.104 446 I CB 2.058 40.013 38.000 -0.075 0.000 1.264 446 I HN 0.449 nan 8.210 nan 0.000 0.438 447 D N 6.980 127.357 120.400 -0.038 0.000 2.359 447 D HA 0.115 4.754 4.640 -0.000 0.000 0.250 447 D C 1.024 177.267 176.300 -0.095 0.000 1.264 447 D CA -0.013 53.934 54.000 -0.089 0.000 0.911 447 D CB 0.825 41.599 40.800 -0.043 0.000 1.056 447 D HN 0.295 nan 8.370 nan 0.000 0.499 448 I N 4.164 124.619 120.570 -0.191 0.000 2.439 448 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 448 I C 1.492 177.567 176.117 -0.070 0.000 1.139 448 I CA 0.742 61.946 61.300 -0.161 0.000 1.438 448 I CB -0.924 36.892 38.000 -0.306 0.000 1.085 448 I HN 0.479 nan 8.210 nan 0.000 0.427 449 Y N 1.150 121.308 120.300 -0.238 0.000 2.163 449 Y HA -0.178 4.372 4.550 -0.000 0.000 0.288 449 Y C 2.840 178.667 175.900 -0.122 0.000 1.136 449 Y CA 1.231 59.190 58.100 -0.236 0.000 1.147 449 Y CB -1.193 37.118 38.460 -0.249 0.000 0.987 449 Y HN 0.192 nan 8.280 nan 0.000 0.509 450 R N 0.024 120.574 120.500 0.083 0.000 2.096 450 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 450 R C 2.110 178.439 176.300 0.049 0.000 1.127 450 R CA 1.169 57.299 56.100 0.050 0.000 0.968 450 R CB -0.597 29.723 30.300 0.034 0.000 0.861 450 R HN 0.264 nan 8.270 nan 0.000 0.440 451 L N 0.735 121.986 121.223 0.047 0.000 2.046 451 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 451 L C 2.321 179.252 176.870 0.101 0.000 1.077 451 L CA 2.105 56.978 54.840 0.055 0.000 0.747 451 L CB -0.739 41.350 42.059 0.049 0.000 0.896 451 L HN 0.326 nan 8.230 nan 0.000 0.432 452 A N -1.238 121.681 122.820 0.165 0.000 1.972 452 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 452 A C 2.324 180.107 177.584 0.332 0.000 1.169 452 A CA 1.721 53.968 52.037 0.349 0.000 0.635 452 A CB -0.576 18.594 19.000 0.284 0.000 0.810 452 A HN 0.588 nan 8.150 nan 0.000 0.446 453 E N -0.105 120.189 120.200 0.157 0.000 2.046 453 E HA -0.202 4.148 4.350 -0.000 0.000 0.190 453 E C 2.084 178.730 176.600 0.075 0.000 0.982 453 E CA 1.267 57.737 56.400 0.117 0.000 0.800 453 E CB -0.154 29.576 29.700 0.051 0.000 0.756 453 E HN 0.610 nan 8.360 nan 0.000 0.449 454 K N 0.502 120.923 120.400 0.036 0.000 2.063 454 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 454 K C 2.082 178.633 176.600 -0.081 0.000 1.048 454 K CA 1.673 57.953 56.287 -0.010 0.000 0.928 454 K CB -0.106 32.389 32.500 -0.009 0.000 0.713 454 K HN 0.184 nan 8.250 nan 0.000 0.442 455 I N -0.761 119.715 120.570 -0.157 0.000 2.333 455 I HA -0.180 3.989 4.170 -0.000 0.000 0.246 455 I C 1.184 176.925 176.117 -0.625 0.000 1.106 455 I CA 0.959 61.985 61.300 -0.457 0.000 1.411 455 I CB 0.040 37.610 38.000 -0.716 0.000 1.082 455 I HN 0.131 nan 8.210 nan 0.000 0.420 456 Y N 0.498 120.765 120.300 -0.054 0.000 2.500 456 Y HA 0.500 5.050 4.550 -0.000 0.000 0.246 456 Y C 1.022 176.959 175.900 0.060 0.000 1.146 456 Y CA -0.032 57.982 58.100 -0.142 0.000 1.230 456 Y CB 0.372 38.601 38.460 -0.385 0.000 1.214 456 Y HN 0.147 nan 8.280 nan 0.000 0.526 457 G N 0.644 109.564 108.800 0.201 0.000 2.663 457 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 457 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 457 G C 0.332 175.333 174.900 0.167 0.000 1.288 457 G CA -0.400 44.801 45.100 0.169 0.000 0.836 457 G HN 0.173 nan 8.290 nan 0.000 0.584 458 K N 0.130 120.590 120.400 0.101 0.000 2.097 458 K HA -0.056 4.263 4.320 -0.000 0.000 0.206 458 K C 2.307 178.924 176.600 0.029 0.000 1.049 458 K CA 1.829 58.144 56.287 0.046 0.000 0.933 458 K CB -0.050 32.470 32.500 0.033 0.000 0.717 458 K HN 0.644 nan 8.250 nan 0.000 0.442 459 E N 0.270 120.524 120.200 0.090 0.000 2.058 459 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 459 E C 1.880 178.421 176.600 -0.097 0.000 0.997 459 E CA 1.281 57.738 56.400 0.096 0.000 0.801 459 E CB -0.201 29.660 29.700 0.269 0.000 0.746 459 E HN 0.233 nan 8.360 nan 0.000 0.450 460 F N 1.996 121.751 119.950 -0.323 0.000 2.134 460 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 460 F C 2.425 178.054 175.800 -0.286 0.000 1.097 460 F CA 1.494 59.111 58.000 -0.638 0.000 1.264 460 F CB -0.178 38.664 39.000 -0.264 0.000 1.001 460 F HN -0.207 nan 8.300 nan 0.000 0.479 461 R N 0.395 120.712 120.500 -0.305 0.000 2.096 461 R HA -0.203 4.137 4.340 -0.000 0.000 0.240 461 R C 1.866 177.887 176.300 -0.466 0.000 1.139 461 R CA 2.331 58.187 56.100 -0.407 0.000 0.952 461 R CB -0.712 29.474 30.300 -0.190 0.000 0.854 461 R HN 0.257 nan 8.270 nan 0.000 0.436 462 D N -0.580 119.647 120.400 -0.289 0.000 2.117 462 D HA -0.197 4.442 4.640 -0.000 0.000 0.197 462 D C 1.606 177.770 176.300 -0.226 0.000 0.987 462 D CA 1.248 55.110 54.000 -0.231 0.000 0.829 462 D CB -0.552 40.186 40.800 -0.104 0.000 0.961 462 D HN 0.359 nan 8.370 nan 0.000 0.460 463 Y N 1.062 121.151 120.300 -0.351 0.000 2.181 463 Y HA -0.202 4.348 4.550 0.000 0.000 0.288 463 Y C 2.140 177.836 175.900 -0.340 0.000 1.146 463 Y CA 1.122 59.058 58.100 -0.273 0.000 1.164 463 Y CB -0.388 37.893 38.460 -0.298 0.000 0.982 463 Y HN -0.048 nan 8.280 nan 0.000 0.515 464 L N -0.005 120.924 121.223 -0.490 0.000 1.994 464 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 464 L C 2.337 178.867 176.870 -0.567 0.000 1.071 464 L CA 2.685 57.172 54.840 -0.589 0.000 0.745 464 L CB -1.252 40.277 42.059 -0.884 0.000 0.892 464 L HN 0.290 nan 8.230 nan 0.000 0.431 465 T N -0.309 113.779 114.554 -0.776 0.000 2.720 465 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 465 T C 1.753 176.222 174.700 -0.384 0.000 1.037 465 T CA 1.653 63.261 62.100 -0.820 0.000 1.144 465 T CB -0.452 67.949 68.868 -0.777 0.000 0.864 465 T HN 0.384 nan 8.240 nan 0.000 0.444 466 N N 2.486 120.991 118.700 -0.325 0.000 2.188 466 N HA -0.083 4.657 4.740 -0.000 0.000 0.184 466 N C 0.492 175.883 175.510 -0.198 0.000 1.018 466 N CA 1.071 53.989 53.050 -0.220 0.000 0.858 466 N CB -0.142 38.232 38.487 -0.189 0.000 0.989 466 N HN 0.592 nan 8.380 nan 0.000 0.426 467 N N -1.213 117.331 118.700 -0.261 0.000 2.610 467 N HA 0.113 4.853 4.740 -0.000 0.000 0.307 467 N C -1.358 174.090 175.510 -0.103 0.000 1.813 467 N CA -0.598 52.337 53.050 -0.191 0.000 0.901 467 N CB -0.800 37.538 38.487 -0.248 0.000 1.354 467 N HN 0.018 nan 8.380 nan 0.000 0.491 468 F N 1.223 121.042 119.950 -0.219 0.000 2.408 468 F HA 0.526 5.053 4.527 -0.000 0.000 0.344 468 F C -0.429 175.301 175.800 -0.116 0.000 1.112 468 F CA -0.507 57.386 58.000 -0.179 0.000 1.096 468 F CB 1.074 39.961 39.000 -0.189 0.000 1.129 468 F HN -0.003 nan 8.300 nan 0.000 0.486 469 E N 5.813 125.675 120.200 -0.563 0.000 2.165 469 E HA 0.140 4.490 4.350 -0.000 0.000 0.266 469 E C 0.222 176.443 176.600 -0.631 0.000 0.889 469 E CA -0.336 55.819 56.400 -0.408 0.000 0.756 469 E CB 1.855 31.443 29.700 -0.186 0.000 1.131 469 E HN 0.834 nan 8.360 nan 0.000 0.411 470 Q N 0.991 120.496 119.800 -0.492 0.000 2.050 470 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 470 Q C 1.797 177.829 176.000 0.054 0.000 0.980 470 Q CA 1.290 56.847 55.803 -0.409 0.000 0.840 470 Q CB 0.106 28.478 28.738 -0.609 0.000 0.898 470 Q HN 0.291 nan 8.270 nan 0.000 0.424 471 V N 1.464 121.388 119.914 0.018 0.000 2.343 471 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 471 V C 1.904 178.051 176.094 0.088 0.000 1.051 471 V CA 2.128 64.478 62.300 0.084 0.000 1.036 471 V CB -0.603 31.240 31.823 0.034 0.000 0.654 471 V HN 0.417 nan 8.190 nan 0.000 0.451 472 D N -0.500 119.924 120.400 0.040 0.000 2.117 472 D HA -0.237 4.403 4.640 -0.000 0.000 0.197 472 D C 1.927 178.295 176.300 0.113 0.000 0.987 472 D CA 1.341 55.370 54.000 0.048 0.000 0.829 472 D CB -0.209 40.604 40.800 0.021 0.000 0.961 472 D HN 0.394 nan 8.370 nan 0.000 0.460 473 F N 0.614 120.567 119.950 0.005 0.000 2.134 473 F HA -0.036 4.490 4.527 -0.001 0.000 0.299 473 F C 1.924 177.826 175.800 0.170 0.000 1.097 473 F CA 1.218 59.301 58.000 0.138 0.000 1.264 473 F CB -0.181 38.898 39.000 0.132 0.000 1.001 473 F HN -0.016 nan 8.300 nan 0.000 0.479 474 L N -0.234 121.163 121.223 0.290 0.000 2.093 474 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 474 L C 2.410 179.288 176.870 0.014 0.000 1.085 474 L CA 0.946 55.873 54.840 0.144 0.000 0.755 474 L CB -0.720 41.488 42.059 0.248 0.000 0.904 474 L HN 0.237 nan 8.230 nan 0.000 0.435 475 L N -0.392 120.847 121.223 0.027 0.000 2.093 475 L HA -0.188 4.151 4.340 -0.000 0.000 0.208 475 L C 2.575 179.415 176.870 -0.049 0.000 1.085 475 L CA 1.270 56.106 54.840 -0.006 0.000 0.755 475 L CB -0.402 41.661 42.059 0.007 0.000 0.904 475 L HN 0.206 nan 8.230 nan 0.000 0.435 476 K N -0.192 120.161 120.400 -0.079 0.000 2.097 476 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 476 K C 2.022 178.529 176.600 -0.156 0.000 1.050 476 K CA 1.021 57.238 56.287 -0.116 0.000 0.938 476 K CB -0.166 32.252 32.500 -0.136 0.000 0.718 476 K HN 0.080 nan 8.250 nan 0.000 0.442 477 L N 0.960 122.047 121.223 -0.227 0.000 2.056 477 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 477 L C 2.195 178.991 176.870 -0.124 0.000 1.078 477 L CA 1.602 56.312 54.840 -0.215 0.000 0.749 477 L CB -0.514 41.379 42.059 -0.275 0.000 0.901 477 L HN 0.102 nan 8.230 nan 0.000 0.433 478 A N -0.985 121.780 122.820 -0.091 0.000 1.933 478 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 478 A C 2.309 179.859 177.584 -0.057 0.000 1.175 478 A CA 1.719 53.718 52.037 -0.062 0.000 0.628 478 A CB -0.704 18.273 19.000 -0.038 0.000 0.814 478 A HN 0.600 nan 8.150 nan 0.000 0.444 479 E N 0.114 120.278 120.200 -0.059 0.000 2.110 479 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 479 E C 1.741 178.310 176.600 -0.051 0.000 0.988 479 E CA 1.319 57.689 56.400 -0.050 0.000 0.804 479 E CB -0.087 29.583 29.700 -0.050 0.000 0.745 479 E HN 0.580 nan 8.360 nan 0.000 0.458 480 K N -0.008 120.355 120.400 -0.063 0.000 2.283 480 K HA -0.040 4.279 4.320 -0.000 0.000 0.202 480 K C 1.268 177.837 176.600 -0.052 0.000 1.048 480 K CA 0.654 56.907 56.287 -0.056 0.000 0.948 480 K CB 0.041 32.502 32.500 -0.065 0.000 0.742 480 K HN 0.152 nan 8.250 nan 0.000 0.458 481 N N -0.049 118.616 118.700 -0.057 0.000 2.236 481 N HA 0.010 4.750 4.740 -0.000 0.000 0.196 481 N C 0.623 176.106 175.510 -0.045 0.000 1.114 481 N CA 0.616 53.633 53.050 -0.056 0.000 0.859 481 N CB 1.270 39.715 38.487 -0.070 0.000 0.982 481 N HN 0.286 nan 8.380 nan 0.000 0.493 482 G N 1.224 110.001 108.800 -0.039 0.000 2.198 482 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 482 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 482 G C 0.158 175.040 174.900 -0.030 0.000 1.025 482 G CA 0.865 45.946 45.100 -0.031 0.000 0.769 482 G HN 0.310 nan 8.290 nan 0.000 0.507 483 V N -3.971 115.923 119.914 -0.034 0.000 3.046 483 V HA 0.801 4.921 4.120 -0.000 0.000 0.316 483 V C 1.289 177.368 176.094 -0.024 0.000 1.104 483 V CA -0.279 62.004 62.300 -0.029 0.000 1.006 483 V CB 1.563 33.365 31.823 -0.036 0.000 1.058 483 V HN 0.239 nan 8.190 nan 0.000 0.440 484 V N 0.910 120.814 119.914 -0.017 0.000 2.307 484 V HA 0.090 4.210 4.120 -0.000 0.000 0.245 484 V C 0.540 176.630 176.094 -0.007 0.000 1.045 484 V CA 1.957 64.251 62.300 -0.010 0.000 1.024 484 V CB -0.292 31.528 31.823 -0.004 0.000 0.651 484 V HN 0.734 nan 8.190 nan 0.000 0.449 485 L N -0.858 120.361 121.223 -0.007 0.000 2.588 485 L HA 0.475 4.815 4.340 -0.000 0.000 0.263 485 L C -0.789 176.073 176.870 -0.014 0.000 0.935 485 L CA -0.228 54.612 54.840 0.000 0.000 0.891 485 L CB 1.996 44.068 42.059 0.022 0.000 1.318 485 L HN -0.119 nan 8.230 nan 0.000 0.409 486 V N 3.062 122.959 119.914 -0.028 0.000 2.521 486 V HA 0.178 4.297 4.120 -0.000 0.000 0.286 486 V C -0.053 176.006 176.094 -0.058 0.000 1.034 486 V CA -0.241 62.023 62.300 -0.061 0.000 1.045 486 V CB 1.067 32.834 31.823 -0.092 0.000 0.974 486 V HN 0.786 nan 8.190 nan 0.000 0.480 487 D N 3.659 124.011 120.400 -0.081 0.000 2.295 487 D HA 0.515 5.155 4.640 -0.000 0.000 0.248 487 D C 0.868 177.022 176.300 -0.244 0.000 1.154 487 D CA 1.029 54.974 54.000 -0.091 0.000 0.857 487 D CB 0.947 41.716 40.800 -0.053 0.000 1.117 487 D HN 0.848 nan 8.370 nan 0.000 0.468 488 G N 2.166 110.673 108.800 -0.488 0.000 2.184 488 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.206 488 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.206 488 G C -0.267 174.073 174.900 -0.934 0.000 0.995 488 G CA 0.069 44.514 45.100 -1.092 0.000 0.651 488 G HN 0.606 nan 8.290 nan 0.000 0.511 489 V N 0.272 119.972 119.914 -0.358 0.000 2.487 489 V HA 0.933 5.053 4.120 -0.000 0.000 0.298 489 V C 0.702 176.932 176.094 0.227 0.000 1.028 489 V CA 0.358 62.637 62.300 -0.035 0.000 0.860 489 V CB 1.228 33.013 31.823 -0.064 0.000 0.991 489 V HN 1.156 nan 8.190 nan 0.000 0.427 490 G N 2.991 111.942 108.800 0.252 0.000 2.694 490 G HA2 0.706 4.666 3.960 -0.000 0.000 0.246 490 G HA3 0.706 4.666 3.960 -0.000 0.000 0.246 490 G C -1.894 172.818 174.900 -0.313 0.000 1.205 490 G CA -0.405 44.761 45.100 0.110 0.000 0.891 490 G HN 0.338 nan 8.290 nan 0.000 0.515 491 F N -0.016 119.992 119.950 0.096 0.000 2.588 491 F HA 0.695 5.221 4.527 -0.000 0.000 0.314 491 F C 0.925 176.701 175.800 -0.039 0.000 1.069 491 F CA -0.040 57.976 58.000 0.026 0.000 0.931 491 F CB 2.193 41.201 39.000 0.014 0.000 1.260 491 F HN 0.717 nan 8.300 nan 0.000 0.465 492 G N 0.106 108.996 108.800 0.150 0.000 2.510 492 G HA2 0.464 4.424 3.960 -0.000 0.000 0.280 492 G HA3 0.464 4.424 3.960 -0.000 0.000 0.280 492 G C 0.648 175.564 174.900 0.027 0.000 1.386 492 G CA -0.120 45.003 45.100 0.039 0.000 1.047 492 G HN 0.837 nan 8.290 nan 0.000 0.527 493 A N -1.047 121.766 122.820 -0.011 0.000 1.970 493 A HA 0.180 4.500 4.320 -0.000 0.000 0.216 493 A C 1.372 178.941 177.584 -0.024 0.000 1.170 493 A CA 0.873 52.896 52.037 -0.023 0.000 0.645 493 A CB -0.207 18.776 19.000 -0.028 0.000 0.816 493 A HN 0.508 nan 8.150 nan 0.000 0.447 494 K N 1.038 121.423 120.400 -0.024 0.000 2.185 494 K HA 0.340 4.660 4.320 -0.000 0.000 0.271 494 K C -2.671 173.879 176.600 -0.082 0.000 1.013 494 K CA -2.059 54.203 56.287 -0.043 0.000 0.943 494 K CB 0.417 32.892 32.500 -0.041 0.000 0.998 494 K HN 0.136 nan 8.250 nan 0.000 0.468 495 P HA -0.020 nan 4.420 nan 0.000 0.271 495 P C 0.434 177.427 177.300 -0.512 0.000 1.216 495 P CA 0.311 63.314 63.100 -0.162 0.000 0.771 495 P CB 0.689 32.403 31.700 0.023 0.000 0.864 496 G N 1.988 110.261 108.800 -0.879 0.000 2.155 496 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 496 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 496 G C 0.016 174.543 174.900 -0.623 0.000 0.983 496 G CA 0.478 44.676 45.100 -1.502 0.000 0.676 496 G HN 0.823 nan 8.290 nan 0.000 0.528 497 E N 0.138 120.217 120.200 -0.201 0.000 2.092 497 E HA 0.611 4.960 4.350 -0.000 0.000 0.271 497 E C 0.074 176.715 176.600 0.069 0.000 0.919 497 E CA -1.258 55.102 56.400 -0.067 0.000 0.760 497 E CB 1.375 31.043 29.700 -0.053 0.000 1.106 497 E HN 0.193 nan 8.360 nan 0.000 0.408 498 L N 3.746 124.925 121.223 -0.074 0.000 2.453 498 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 498 L C -0.074 176.726 176.870 -0.117 0.000 1.182 498 L CA 0.490 55.165 54.840 -0.275 0.000 0.858 498 L CB 0.550 42.487 42.059 -0.205 0.000 1.120 498 L HN 0.687 nan 8.230 nan 0.000 0.474 499 R N 4.271 124.707 120.500 -0.106 0.000 2.393 499 R HA 0.694 5.034 4.340 -0.000 0.000 0.315 499 R C -1.888 174.568 176.300 0.260 0.000 0.952 499 R CA -0.603 55.556 56.100 0.097 0.000 0.842 499 R CB 1.231 31.581 30.300 0.083 0.000 1.163 499 R HN 0.537 nan 8.270 nan 0.000 0.450 500 V N 2.686 122.765 119.914 0.275 0.000 2.656 500 V HA 0.353 4.473 4.120 -0.000 0.000 0.307 500 V C -0.382 175.906 176.094 0.322 0.000 1.051 500 V CA -0.801 61.629 62.300 0.217 0.000 0.893 500 V CB 1.959 33.845 31.823 0.104 0.000 0.999 500 V HN 0.810 nan 8.190 nan 0.000 0.426 501 S N 2.283 118.053 115.700 0.117 0.000 2.438 501 S HA 0.335 4.804 4.470 -0.000 0.000 0.293 501 S C 0.417 175.009 174.600 -0.013 0.000 1.141 501 S CA -0.463 57.792 58.200 0.091 0.000 1.080 501 S CB 1.277 64.465 63.200 -0.019 0.000 0.978 501 S HN 0.728 nan 8.310 nan 0.000 0.479 502 Q N 3.428 123.107 119.800 -0.203 0.000 2.373 502 Q HA 0.355 4.695 4.340 -0.000 0.000 0.206 502 Q C 1.456 177.282 176.000 -0.289 0.000 0.942 502 Q CA 0.586 56.192 55.803 -0.328 0.000 0.953 502 Q CB 0.175 28.668 28.738 -0.407 0.000 1.022 502 Q HN 0.777 nan 8.270 nan 0.000 0.502 503 A N -0.411 122.217 122.820 -0.320 0.000 2.063 503 A HA 0.035 4.355 4.320 -0.000 0.000 0.211 503 A C 1.417 178.981 177.584 -0.033 0.000 1.177 503 A CA 0.614 52.533 52.037 -0.196 0.000 0.759 503 A CB 0.174 18.907 19.000 -0.445 0.000 0.857 503 A HN 0.275 nan 8.150 nan 0.000 0.468 504 N N -0.547 118.146 118.700 -0.011 0.000 2.368 504 N HA 0.203 4.943 4.740 -0.000 0.000 0.176 504 N C 0.202 175.715 175.510 0.005 0.000 1.021 504 N CA 0.556 53.590 53.050 -0.027 0.000 0.888 504 N CB 0.029 38.446 38.487 -0.117 0.000 0.995 504 N HN 0.383 nan 8.380 nan 0.000 0.437 505 L N 0.411 121.675 121.223 0.069 0.000 2.322 505 L HA 0.531 4.871 4.340 -0.000 0.000 0.269 505 L C -2.321 174.634 176.870 0.140 0.000 1.012 505 L CA -2.385 52.448 54.840 -0.011 0.000 0.815 505 L CB 1.470 43.334 42.059 -0.325 0.000 1.295 505 L HN -0.229 nan 8.230 nan 0.000 0.438 506 P HA 0.019 nan 4.420 nan 0.000 0.267 506 P C 0.496 177.919 177.300 0.204 0.000 1.200 506 P CA 0.053 63.219 63.100 0.109 0.000 0.772 506 P CB 0.497 32.222 31.700 0.042 0.000 0.855 507 T N 0.974 115.649 114.554 0.202 0.000 2.737 507 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 507 T C 1.467 176.295 174.700 0.213 0.000 1.040 507 T CA 1.544 63.781 62.100 0.228 0.000 1.142 507 T CB -0.465 68.452 68.868 0.082 0.000 0.861 507 T HN 0.617 nan 8.240 nan 0.000 0.456 508 E N 1.652 121.914 120.200 0.104 0.000 2.204 508 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 508 E C 1.196 177.806 176.600 0.018 0.000 0.990 508 E CA 1.198 57.630 56.400 0.053 0.000 0.821 508 E CB -0.459 29.255 29.700 0.023 0.000 0.750 508 E HN 0.410 nan 8.360 nan 0.000 0.477 509 D N 0.314 120.692 120.400 -0.038 0.000 2.264 509 D HA -0.083 4.557 4.640 -0.000 0.000 0.208 509 D C 1.561 177.703 176.300 -0.263 0.000 0.966 509 D CA 0.695 54.584 54.000 -0.185 0.000 0.864 509 D CB -0.391 40.221 40.800 -0.313 0.000 0.933 509 D HN 0.317 nan 8.370 nan 0.000 0.499 510 Y N 1.140 121.414 120.300 -0.042 0.000 2.163 510 Y HA -0.080 4.470 4.550 -0.000 0.000 0.288 510 Y C 2.519 178.387 175.900 -0.053 0.000 1.136 510 Y CA 1.138 59.206 58.100 -0.053 0.000 1.147 510 Y CB -0.486 37.944 38.460 -0.050 0.000 0.987 510 Y HN -0.055 nan 8.280 nan 0.000 0.509 511 A N -0.394 122.478 122.820 0.086 0.000 1.969 511 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 511 A C 2.130 179.714 177.584 -0.000 0.000 1.169 511 A CA 1.354 53.411 52.037 0.035 0.000 0.635 511 A CB -0.935 18.084 19.000 0.031 0.000 0.810 511 A HN 0.418 nan 8.150 nan 0.000 0.445 512 L N 0.016 121.225 121.223 -0.022 0.000 2.017 512 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 512 L C 2.147 178.986 176.870 -0.052 0.000 1.073 512 L CA 1.643 56.459 54.840 -0.040 0.000 0.745 512 L CB -0.433 41.593 42.059 -0.056 0.000 0.894 512 L HN 0.326 nan 8.230 nan 0.000 0.432 513 I N -0.035 120.483 120.570 -0.087 0.000 2.163 513 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 513 I C 2.556 178.652 176.117 -0.036 0.000 1.085 513 I CA 1.634 62.882 61.300 -0.087 0.000 1.347 513 I CB -2.113 35.802 38.000 -0.141 0.000 1.044 513 I HN 0.422 nan 8.210 nan 0.000 0.408 514 G N 0.277 109.061 108.800 -0.027 0.000 2.418 514 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 514 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 514 G C 1.963 176.871 174.900 0.014 0.000 1.158 514 G CA 1.101 46.193 45.100 -0.013 0.000 0.771 514 G HN 0.299 nan 8.290 nan 0.000 0.545 515 K N 0.078 120.483 120.400 0.007 0.000 2.097 515 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 515 K C 2.799 179.418 176.600 0.030 0.000 1.049 515 K CA 1.867 58.165 56.287 0.018 0.000 0.933 515 K CB -0.429 32.075 32.500 0.008 0.000 0.717 515 K HN 0.672 nan 8.250 nan 0.000 0.442 516 Q N -0.623 119.185 119.800 0.014 0.000 2.230 516 Q HA 0.010 4.350 4.340 -0.000 0.000 0.202 516 Q C 2.103 178.137 176.000 0.056 0.000 0.963 516 Q CA 1.375 57.186 55.803 0.013 0.000 0.866 516 Q CB -0.007 28.712 28.738 -0.032 0.000 0.931 516 Q HN 0.255 nan 8.270 nan 0.000 0.452 517 V N 0.948 120.919 119.914 0.094 0.000 2.427 517 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 517 V C 2.063 178.309 176.094 0.254 0.000 1.051 517 V CA 1.372 63.804 62.300 0.220 0.000 1.048 517 V CB -0.367 31.602 31.823 0.242 0.000 0.666 517 V HN 0.364 nan 8.190 nan 0.000 0.456 518 L N -0.440 120.887 121.223 0.173 0.000 2.093 518 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 518 L C 2.546 179.539 176.870 0.204 0.000 1.085 518 L CA 1.606 56.555 54.840 0.182 0.000 0.755 518 L CB -0.596 41.529 42.059 0.109 0.000 0.904 518 L HN 0.376 nan 8.230 nan 0.000 0.435 519 E N 0.295 120.585 120.200 0.149 0.000 2.058 519 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 519 E C 2.340 179.043 176.600 0.172 0.000 0.997 519 E CA 1.152 57.630 56.400 0.130 0.000 0.801 519 E CB -0.130 29.612 29.700 0.070 0.000 0.746 519 E HN 0.416 nan 8.360 nan 0.000 0.450 520 L N 0.570 121.918 121.223 0.208 0.000 2.046 520 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 520 L C 2.439 179.646 176.870 0.562 0.000 1.077 520 L CA 0.859 55.878 54.840 0.298 0.000 0.747 520 L CB -0.355 41.880 42.059 0.294 0.000 0.896 520 L HN 0.186 nan 8.230 nan 0.000 0.432 521 L N -0.203 121.370 121.223 0.582 0.000 2.083 521 L HA -0.249 4.090 4.340 -0.000 0.000 0.209 521 L C 2.711 179.839 176.870 0.430 0.000 1.083 521 L CA 1.359 56.587 54.840 0.648 0.000 0.752 521 L CB -0.488 41.927 42.059 0.593 0.000 0.899 521 L HN 0.273 nan 8.230 nan 0.000 0.433 522 K N 0.490 121.077 120.400 0.312 0.000 2.057 522 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 522 K C 1.910 178.576 176.600 0.111 0.000 1.049 522 K CA 1.505 57.887 56.287 0.158 0.000 0.931 522 K CB 0.064 32.691 32.500 0.210 0.000 0.714 522 K HN 0.339 nan 8.250 nan 0.000 0.440 523 E N -0.612 119.670 120.200 0.137 0.000 2.077 523 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 523 E C 1.902 178.557 176.600 0.092 0.000 0.989 523 E CA 1.394 57.829 56.400 0.058 0.000 0.800 523 E CB -0.152 29.535 29.700 -0.021 0.000 0.746 523 E HN 0.357 nan 8.360 nan 0.000 0.452 524 Y N -0.622 119.820 120.300 0.237 0.000 2.224 524 Y HA -0.259 4.291 4.550 -0.000 0.000 0.289 524 Y C 2.228 178.307 175.900 0.298 0.000 1.146 524 Y CA 1.573 59.901 58.100 0.380 0.000 1.182 524 Y CB -0.436 38.389 38.460 0.608 0.000 0.983 524 Y HN 0.171 nan 8.280 nan 0.000 0.524 525 Y N 0.896 121.132 120.300 -0.107 0.000 2.200 525 Y HA -0.180 4.370 4.550 -0.000 0.000 0.290 525 Y C 2.060 177.805 175.900 -0.258 0.000 1.137 525 Y CA 1.682 59.336 58.100 -0.742 0.000 1.163 525 Y CB -0.302 37.113 38.460 -1.742 0.000 0.988 525 Y HN 0.146 nan 8.280 nan 0.000 0.518 526 E N -0.036 120.059 120.200 -0.175 0.000 2.110 526 E HA -0.247 4.102 4.350 -0.000 0.000 0.193 526 E C 2.081 178.578 176.600 -0.171 0.000 0.988 526 E CA 1.316 57.612 56.400 -0.174 0.000 0.804 526 E CB -0.125 29.555 29.700 -0.033 0.000 0.745 526 E HN 0.625 nan 8.360 nan 0.000 0.458 527 E N 0.264 120.434 120.200 -0.051 0.000 2.072 527 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 527 E C 1.856 178.428 176.600 -0.047 0.000 0.985 527 E CA 0.639 57.041 56.400 0.003 0.000 0.801 527 E CB -0.112 29.659 29.700 0.117 0.000 0.750 527 E HN 0.183 nan 8.360 nan 0.000 0.452 528 F N 2.056 121.843 119.950 -0.272 0.000 2.043 528 F HA -0.256 4.271 4.527 -0.000 0.000 0.297 528 F C 1.979 177.480 175.800 -0.499 0.000 1.121 528 F CA 1.641 59.250 58.000 -0.652 0.000 1.199 528 F CB -0.212 38.349 39.000 -0.731 0.000 0.968 528 F HN -0.128 nan 8.300 nan 0.000 0.478 529 K N 0.227 120.131 120.400 -0.826 0.000 2.097 529 K HA -0.214 4.106 4.320 -0.000 0.000 0.206 529 K C 2.112 178.435 176.600 -0.460 0.000 1.049 529 K CA 1.500 57.319 56.287 -0.781 0.000 0.933 529 K CB -0.750 31.339 32.500 -0.684 0.000 0.717 529 K HN 0.378 nan 8.250 nan 0.000 0.442 530 Q N 1.259 120.870 119.800 -0.315 0.000 2.096 530 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 530 Q C 0.187 176.083 176.000 -0.172 0.000 0.982 530 Q CA 1.445 57.133 55.803 -0.191 0.000 0.850 530 Q CB -0.124 28.541 28.738 -0.121 0.000 0.901 530 Q HN 0.262 nan 8.270 nan 0.000 0.422 531 N N 0.000 118.589 118.700 -0.185 0.000 1.763 531 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 531 N CA 0.000 52.969 53.050 -0.134 0.000 0.885 531 N CB 0.000 38.453 38.487 -0.056 0.000 1.341 531 N HN 0.000 nan 8.380 nan 0.000 0.667