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 3hvr_1_A DATA FIRST_RESID 3 DATA SEQUENCE HLGKTEVFLN RFALRPLNPE ELRPWRLEVV LDPPPGREEV YPLLAQVARR DATA SEQUENCE AGGVTVRMGD GLASWSPPEV LVLEGTLARM GQTYAYRLYP KGRRPLDPKD DATA SEQUENCE PGERSVLSAL ARRLLQERLR RLEGVWVEGL AVYRREHARG PGWRVLGGAV DATA SEQUENCE LDLWVSDSGA FLLEVDPAYR ILCEMSLEAW LAQGHPLPKR VRNAYDRRTW DATA SEQUENCE ELLRLGEEDP KELPLPXXLS LLDYHASKGR LQGREGGRVA WVADXXXXXK DATA SEQUENCE PIPHXTGLLV PVLTLEDXXX XXXXXXLSLP WEERRRRTRE IASWIGRRLG DATA SEQUENCE LGTPEAVRAQ AYRLSIPKLM GRRAVSKPAD ALRVGFYRAQ ETALALLRLD DATA SEQUENCE GAQGWPEFLR RALLRAFGAS GASLRLHTLH AHPSQGLAFR EALRKAKEEG DATA SEQUENCE VQAVLVLTPP MAWEDRNRLK ALLLREGLPS QILNVPLREE ERHRWENALL DATA SEQUENCE GLLAKAGLQV VALSGAYPAE LAVGFDAGGR ESFRFGGAAC AVGGXXXHLL DATA SEQUENCE WTLPEAQAGE RIPQEVVWDL LEETLWAFRR KAGRLPSRVL LLRDGRVPQD DATA SEQUENCE EFALALEALA REGIAYDLVS VRKSGGGRVY PVQGRLADGL YVPLEDKTFL DATA SEQUENCE LLTVHXXXRG TPRPLKLVHE AGDTPLEALA HQIFHLTRLY PASGFAFPRL DATA SEQUENCE PAPLHLADRL VKEVGRLGIR HLKEVDREKL FFV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.372 175.328 0.073 0.000 0.993 3 H CA 0.000 56.070 56.048 0.037 0.000 1.023 3 H CB 0.000 29.758 29.762 -0.006 0.000 1.292 4 L N 3.280 124.556 121.223 0.088 0.000 2.697 4 L HA 0.521 4.859 4.340 -0.002 0.000 0.239 4 L C 0.957 177.963 176.870 0.225 0.000 1.430 4 L CA 0.006 54.971 54.840 0.208 0.000 1.193 4 L CB -2.147 40.032 42.059 0.201 0.000 1.516 4 L HN 0.810 nan 8.230 nan 0.000 0.439 5 G N 1.292 110.173 108.800 0.133 0.000 2.635 5 G HA2 -0.101 3.857 3.960 -0.002 0.000 0.289 5 G HA3 -0.101 3.857 3.960 -0.002 0.000 0.289 5 G C 0.496 175.409 174.900 0.022 0.000 0.705 5 G CA -0.241 44.898 45.100 0.066 0.000 2.034 5 G HN 0.693 nan 8.290 nan 0.000 0.519 6 K N 1.475 121.870 120.400 -0.009 0.000 2.382 6 K HA 0.369 4.687 4.320 -0.002 0.000 0.275 6 K C 0.266 176.744 176.600 -0.203 0.000 1.009 6 K CA 0.116 56.277 56.287 -0.211 0.000 0.970 6 K CB 0.474 32.853 32.500 -0.203 0.000 0.934 6 K HN 0.369 nan 8.250 nan 0.000 0.479 7 T N 2.091 116.472 114.554 -0.289 0.000 2.669 7 T HA 0.314 4.663 4.350 -0.002 0.000 0.283 7 T C -1.380 173.180 174.700 -0.233 0.000 1.019 7 T CA -0.878 61.100 62.100 -0.203 0.000 1.039 7 T CB 1.331 70.107 68.868 -0.154 0.000 1.374 7 T HN 0.613 nan 8.240 nan 0.000 0.523 8 E N -0.068 120.021 120.200 -0.185 0.000 2.294 8 E HA 0.614 4.963 4.350 -0.002 0.000 0.272 8 E C -1.902 174.566 176.600 -0.220 0.000 0.896 8 E CA -0.571 55.719 56.400 -0.183 0.000 0.802 8 E CB 1.432 31.045 29.700 -0.144 0.000 1.267 8 E HN 0.715 nan 8.360 nan 0.000 0.406 9 V N 3.604 123.391 119.914 -0.212 0.000 2.709 9 V HA 0.661 4.780 4.120 -0.002 0.000 0.308 9 V C -0.670 175.317 176.094 -0.178 0.000 1.062 9 V CA -0.997 61.137 62.300 -0.277 0.000 0.901 9 V CB 1.141 32.873 31.823 -0.152 0.000 1.003 9 V HN 0.473 nan 8.190 nan 0.000 0.425 10 F N 4.192 124.156 119.950 0.023 0.000 2.379 10 F HA 0.876 5.402 4.527 -0.002 0.000 0.332 10 F C -0.260 175.546 175.800 0.011 0.000 1.096 10 F CA -2.578 55.418 58.000 -0.007 0.000 1.105 10 F CB 0.363 39.342 39.000 -0.035 0.000 1.189 10 F HN 0.468 nan 8.300 nan 0.000 0.515 11 L N 0.646 121.995 121.223 0.211 0.000 2.400 11 L HA 0.514 4.853 4.340 -0.002 0.000 0.264 11 L C 0.627 177.513 176.870 0.026 0.000 1.061 11 L CA -0.959 53.940 54.840 0.098 0.000 0.799 11 L CB 0.359 42.440 42.059 0.038 0.000 1.240 11 L HN 0.613 nan 8.230 nan 0.000 0.461 12 N N -0.292 118.454 118.700 0.077 0.000 2.581 12 N HA 0.037 4.776 4.740 -0.002 0.000 0.230 12 N C -0.282 175.253 175.510 0.042 0.000 1.310 12 N CA 0.050 53.173 53.050 0.122 0.000 0.886 12 N CB -0.541 38.120 38.487 0.290 0.000 1.205 12 N HN 0.651 nan 8.380 nan 0.000 0.488 13 R N -0.533 119.861 120.500 -0.177 0.000 2.856 13 R HA 0.618 4.957 4.340 -0.002 0.000 0.258 13 R C -0.903 175.085 176.300 -0.519 0.000 1.066 13 R CA -0.634 55.409 56.100 -0.095 0.000 1.045 13 R CB 0.994 31.317 30.300 0.039 0.000 1.178 13 R HN 0.051 nan 8.270 nan 0.000 0.499 14 F N -0.363 119.551 119.950 -0.060 0.000 2.596 14 F HA 0.453 4.978 4.527 -0.002 0.000 0.311 14 F C -0.363 175.377 175.800 -0.101 0.000 1.116 14 F CA -0.927 57.028 58.000 -0.075 0.000 0.957 14 F CB 2.025 40.979 39.000 -0.076 0.000 1.250 14 F HN 0.536 nan 8.300 nan 0.000 0.444 15 A N 4.231 127.102 122.820 0.084 0.000 2.301 15 A HA 0.867 5.186 4.320 -0.002 0.000 0.298 15 A C -0.883 176.731 177.584 0.049 0.000 1.185 15 A CA -0.279 51.775 52.037 0.027 0.000 0.830 15 A CB 0.402 19.409 19.000 0.011 0.000 1.112 15 A HN 0.778 nan 8.150 nan 0.000 0.508 16 L N 1.206 122.454 121.223 0.042 0.000 2.230 16 L HA 0.593 4.932 4.340 -0.002 0.000 0.255 16 L C 0.665 177.580 176.870 0.075 0.000 1.039 16 L CA -1.421 53.458 54.840 0.064 0.000 0.846 16 L CB 1.362 43.470 42.059 0.082 0.000 1.419 16 L HN 0.971 nan 8.230 nan 0.000 0.435 17 R N 0.366 120.920 120.500 0.090 0.000 2.538 17 R HA 0.063 4.402 4.340 -0.002 0.000 0.273 17 R C -2.579 173.736 176.300 0.025 0.000 0.967 17 R CA -0.860 55.278 56.100 0.063 0.000 1.101 17 R CB -0.706 29.638 30.300 0.073 0.000 0.908 17 R HN 0.137 nan 8.270 nan 0.000 0.411 18 P HA 0.013 nan 4.420 nan 0.000 0.271 18 P C -0.583 176.586 177.300 -0.218 0.000 1.216 18 P CA -0.414 62.591 63.100 -0.157 0.000 0.771 18 P CB 0.431 32.071 31.700 -0.100 0.000 0.864 19 L N 3.150 124.126 121.223 -0.412 0.000 2.593 19 L HA -0.056 4.283 4.340 -0.002 0.000 0.287 19 L C 1.283 178.033 176.870 -0.200 0.000 1.243 19 L CA 0.927 55.535 54.840 -0.387 0.000 0.890 19 L CB -0.860 40.958 42.059 -0.403 0.000 1.134 19 L HN 0.492 nan 8.230 nan 0.000 0.502 20 N N 3.445 122.043 118.700 -0.169 0.000 2.445 20 N HA 0.321 5.059 4.740 -0.002 0.000 0.264 20 N C -2.138 173.289 175.510 -0.140 0.000 1.227 20 N CA -1.354 51.617 53.050 -0.132 0.000 0.963 20 N CB 0.058 38.477 38.487 -0.114 0.000 1.188 20 N HN 0.246 nan 8.380 nan 0.000 0.491 21 P HA -0.203 nan 4.420 nan 0.000 0.217 21 P C 0.772 178.005 177.300 -0.113 0.000 1.151 21 P CA 1.476 64.520 63.100 -0.093 0.000 0.849 21 P CB 0.131 31.786 31.700 -0.076 0.000 0.787 22 E N -0.172 119.945 120.200 -0.138 0.000 2.072 22 E HA -0.167 4.182 4.350 -0.002 0.000 0.191 22 E C 1.837 178.310 176.600 -0.212 0.000 0.985 22 E CA 1.102 57.408 56.400 -0.157 0.000 0.801 22 E CB -0.565 29.056 29.700 -0.132 0.000 0.750 22 E HN 0.490 nan 8.360 nan 0.000 0.452 23 E N 0.322 120.312 120.200 -0.350 0.000 2.418 23 E HA -0.038 4.311 4.350 -0.002 0.000 0.197 23 E C 1.854 178.486 176.600 0.053 0.000 1.026 23 E CA 0.193 56.243 56.400 -0.583 0.000 0.862 23 E CB 0.035 29.168 29.700 -0.946 0.000 0.799 23 E HN 0.174 nan 8.360 nan 0.000 0.518 24 L N 0.082 121.303 121.223 -0.003 0.000 2.509 24 L HA 0.075 4.414 4.340 -0.002 0.000 0.222 24 L C 0.903 177.808 176.870 0.058 0.000 1.123 24 L CA 0.356 55.231 54.840 0.059 0.000 0.856 24 L CB 0.230 42.283 42.059 -0.011 0.000 0.985 24 L HN -0.115 nan 8.230 nan 0.000 0.456 25 R N 0.275 120.782 120.500 0.012 0.000 3.194 25 R HA 0.273 4.612 4.340 -0.002 0.000 0.306 25 R C -2.446 173.815 176.300 -0.065 0.000 1.347 25 R CA -1.743 54.326 56.100 -0.052 0.000 1.540 25 R CB 0.253 30.466 30.300 -0.145 0.000 1.352 25 R HN -0.042 nan 8.270 nan 0.000 0.621 26 P HA -0.093 nan 4.420 nan 0.000 0.269 26 P C -0.658 176.682 177.300 0.066 0.000 1.209 26 P CA -0.096 63.142 63.100 0.230 0.000 0.776 26 P CB 0.492 32.321 31.700 0.215 0.000 0.876 27 W N 0.827 122.222 121.300 0.159 0.000 2.303 27 W HA 0.423 5.082 4.660 -0.002 0.000 0.318 27 W C 1.270 177.830 176.519 0.069 0.000 1.362 27 W CA 0.116 57.521 57.345 0.100 0.000 1.234 27 W CB -0.245 29.272 29.460 0.096 0.000 1.248 27 W HN 0.246 nan 8.180 nan 0.000 0.546 28 R N 2.109 122.764 120.500 0.258 0.000 2.368 28 R HA 0.902 5.240 4.340 -0.002 0.000 0.302 28 R C -0.795 175.615 176.300 0.183 0.000 1.002 28 R CA -0.118 56.083 56.100 0.170 0.000 0.929 28 R CB 0.028 30.392 30.300 0.107 0.000 1.073 28 R HN 0.969 nan 8.270 nan 0.000 0.464 29 L N -0.561 120.747 121.223 0.140 0.000 2.350 29 L HA 1.074 5.413 4.340 -0.002 0.000 0.260 29 L C 0.295 177.239 176.870 0.122 0.000 1.015 29 L CA -0.596 54.326 54.840 0.137 0.000 0.821 29 L CB 1.048 43.174 42.059 0.112 0.000 1.370 29 L HN 1.344 nan 8.230 nan 0.000 0.416 30 E N 0.178 120.476 120.200 0.164 0.000 2.221 30 E HA 0.786 5.135 4.350 -0.002 0.000 0.268 30 E C -0.857 175.867 176.600 0.205 0.000 0.933 30 E CA -0.236 56.260 56.400 0.159 0.000 0.809 30 E CB 1.796 31.581 29.700 0.142 0.000 1.190 30 E HN 1.903 nan 8.360 nan 0.000 0.406 31 V N 0.722 120.728 119.914 0.155 0.000 2.409 31 V HA 0.586 4.705 4.120 -0.002 0.000 0.291 31 V C -0.324 175.870 176.094 0.167 0.000 1.020 31 V CA -0.920 61.474 62.300 0.156 0.000 0.848 31 V CB 1.381 33.254 31.823 0.082 0.000 0.990 31 V HN 0.629 nan 8.190 nan 0.000 0.430 32 V N 5.175 125.222 119.914 0.222 0.000 2.235 32 V HA 0.457 4.576 4.120 -0.002 0.000 0.266 32 V C 0.318 176.507 176.094 0.158 0.000 1.055 32 V CA -0.256 62.159 62.300 0.191 0.000 0.844 32 V CB 1.121 33.112 31.823 0.280 0.000 1.097 32 V HN 0.854 nan 8.190 nan 0.000 0.453 33 L N 1.268 122.566 121.223 0.125 0.000 2.261 33 L HA 0.900 5.239 4.340 -0.002 0.000 0.289 33 L C 0.189 177.105 176.870 0.078 0.000 1.059 33 L CA 0.356 55.265 54.840 0.115 0.000 0.816 33 L CB 0.115 42.239 42.059 0.108 0.000 1.191 33 L HN 0.768 nan 8.230 nan 0.000 0.431 34 D N 3.710 124.150 120.400 0.067 0.000 2.502 34 D HA 0.711 5.350 4.640 -0.002 0.000 0.249 34 D C -2.892 173.430 176.300 0.036 0.000 1.092 34 D CA -1.517 52.510 54.000 0.045 0.000 0.839 34 D CB 1.562 42.386 40.800 0.040 0.000 1.264 34 D HN 0.645 nan 8.370 nan 0.000 0.511 35 P HA 0.324 nan 4.420 nan 0.000 0.271 35 P C -2.533 174.786 177.300 0.033 0.000 1.216 35 P CA -0.975 62.142 63.100 0.028 0.000 0.776 35 P CB 0.266 31.980 31.700 0.022 0.000 0.881 36 P HA 0.138 nan 4.420 nan 0.000 0.264 36 P C -2.136 175.179 177.300 0.025 0.000 1.193 36 P CA -0.543 62.575 63.100 0.029 0.000 0.763 36 P CB -0.832 30.882 31.700 0.024 0.000 0.810 37 P HA 0.227 nan 4.420 nan 0.000 0.273 37 P C 0.390 177.699 177.300 0.015 0.000 1.250 37 P CA -0.222 62.890 63.100 0.021 0.000 0.793 37 P CB 0.485 32.198 31.700 0.021 0.000 1.011 38 G N -0.035 108.772 108.800 0.012 0.000 2.537 38 G HA2 0.115 4.074 3.960 -0.002 0.000 0.273 38 G HA3 0.115 4.074 3.960 -0.002 0.000 0.273 38 G C 0.655 175.559 174.900 0.007 0.000 1.189 38 G CA -0.616 44.490 45.100 0.009 0.000 0.881 38 G HN 0.366 nan 8.290 nan 0.000 0.535 39 R N 0.131 120.634 120.500 0.006 0.000 2.200 39 R HA -0.025 4.314 4.340 -0.002 0.000 0.234 39 R C 2.477 178.779 176.300 0.003 0.000 1.127 39 R CA 1.727 57.829 56.100 0.004 0.000 0.989 39 R CB -0.004 30.297 30.300 0.003 0.000 0.869 39 R HN 0.689 nan 8.270 nan 0.000 0.459 40 E N 0.791 120.993 120.200 0.003 0.000 2.307 40 E HA 0.038 4.386 4.350 -0.002 0.000 0.195 40 E C 0.933 177.534 176.600 0.002 0.000 0.975 40 E CA 0.837 57.238 56.400 0.001 0.000 0.878 40 E CB 0.022 29.723 29.700 0.001 0.000 0.845 40 E HN 0.555 nan 8.360 nan 0.000 0.488 41 E N 0.351 120.553 120.200 0.004 0.000 2.282 41 E HA 0.573 4.921 4.350 -0.002 0.000 0.247 41 E C 0.593 177.196 176.600 0.005 0.000 1.113 41 E CA 0.195 56.598 56.400 0.004 0.000 1.095 41 E CB 0.114 29.818 29.700 0.007 0.000 1.328 41 E HN 0.270 nan 8.360 nan 0.000 0.463 42 V N -0.596 119.319 119.914 0.001 0.000 3.449 42 V HA 0.116 4.235 4.120 -0.002 0.000 0.208 42 V C 2.616 178.707 176.094 -0.005 0.000 1.269 42 V CA 1.121 63.421 62.300 0.001 0.000 1.301 42 V CB -0.828 30.996 31.823 0.002 0.000 1.306 42 V HN 0.827 nan 8.190 nan 0.000 0.531 43 Y N 0.879 121.175 120.300 -0.007 0.000 2.096 43 Y HA -0.241 4.308 4.550 -0.002 0.000 0.278 43 Y C 0.545 176.436 175.900 -0.014 0.000 1.192 43 Y CA 2.980 61.074 58.100 -0.011 0.000 1.143 43 Y CB -3.017 35.436 38.460 -0.010 0.000 0.963 43 Y HN 0.484 nan 8.280 nan 0.000 0.505 44 P HA -0.006 nan 4.420 nan 0.000 0.225 44 P C 1.818 179.108 177.300 -0.015 0.000 1.156 44 P CA 1.211 64.303 63.100 -0.013 0.000 0.787 44 P CB -0.031 31.664 31.700 -0.009 0.000 0.802 45 L N -0.929 120.286 121.223 -0.013 0.000 2.130 45 L HA 0.080 4.419 4.340 -0.002 0.000 0.200 45 L C 2.182 179.033 176.870 -0.032 0.000 1.075 45 L CA 0.727 55.558 54.840 -0.014 0.000 0.768 45 L CB -0.686 41.372 42.059 -0.000 0.000 0.933 45 L HN -0.171 nan 8.230 nan 0.000 0.451 46 L N -0.155 121.052 121.223 -0.027 0.000 2.261 46 L HA -0.178 4.161 4.340 -0.002 0.000 0.216 46 L C 2.225 179.061 176.870 -0.057 0.000 1.114 46 L CA 1.484 56.300 54.840 -0.039 0.000 0.777 46 L CB -0.221 41.826 42.059 -0.021 0.000 0.910 46 L HN 0.328 nan 8.230 nan 0.000 0.440 47 A N -0.339 122.452 122.820 -0.048 0.000 1.984 47 A HA -0.138 4.181 4.320 -0.002 0.000 0.214 47 A C 2.160 179.707 177.584 -0.062 0.000 1.173 47 A CA 0.814 52.821 52.037 -0.051 0.000 0.673 47 A CB -0.366 18.612 19.000 -0.036 0.000 0.830 47 A HN 0.712 nan 8.150 nan 0.000 0.453 48 Q N -0.396 119.368 119.800 -0.061 0.000 2.451 48 Q HA 0.087 4.426 4.340 -0.002 0.000 0.206 48 Q C 1.039 176.972 176.000 -0.111 0.000 0.947 48 Q CA 1.137 56.902 55.803 -0.063 0.000 0.937 48 Q CB -0.098 28.618 28.738 -0.037 0.000 1.025 48 Q HN 0.262 nan 8.270 nan 0.000 0.511 49 V N 0.867 120.682 119.914 -0.164 0.000 2.446 49 V HA -0.083 4.036 4.120 -0.002 0.000 0.244 49 V C 2.454 178.365 176.094 -0.305 0.000 1.039 49 V CA 1.455 63.554 62.300 -0.334 0.000 1.045 49 V CB -0.482 31.120 31.823 -0.369 0.000 0.681 49 V HN 0.544 nan 8.190 nan 0.000 0.459 50 A N 0.716 123.428 122.820 -0.180 0.000 1.877 50 A HA -0.252 4.067 4.320 -0.002 0.000 0.216 50 A C 2.538 180.062 177.584 -0.100 0.000 1.186 50 A CA 2.666 54.628 52.037 -0.125 0.000 0.620 50 A CB -0.797 18.153 19.000 -0.084 0.000 0.822 50 A HN 0.488 nan 8.150 nan 0.000 0.443 51 R N -0.157 120.292 120.500 -0.084 0.000 2.117 51 R HA -0.171 4.168 4.340 -0.002 0.000 0.243 51 R C 2.206 178.475 176.300 -0.053 0.000 1.143 51 R CA 2.357 58.425 56.100 -0.055 0.000 0.968 51 R CB -1.020 29.255 30.300 -0.042 0.000 0.863 51 R HN 0.592 nan 8.270 nan 0.000 0.444 52 R N 0.188 120.635 120.500 -0.088 0.000 2.148 52 R HA 0.203 4.542 4.340 -0.002 0.000 0.223 52 R C 2.297 178.574 176.300 -0.038 0.000 1.088 52 R CA 1.423 57.488 56.100 -0.060 0.000 0.985 52 R CB -0.656 29.587 30.300 -0.094 0.000 0.880 52 R HN 0.458 nan 8.270 nan 0.000 0.451 53 A N -0.226 122.538 122.820 -0.093 0.000 2.168 53 A HA 0.314 4.633 4.320 -0.002 0.000 0.215 53 A C 1.002 178.580 177.584 -0.010 0.000 1.152 53 A CA 0.835 52.846 52.037 -0.043 0.000 0.716 53 A CB -0.842 18.110 19.000 -0.080 0.000 0.794 53 A HN 0.631 nan 8.150 nan 0.000 0.465 54 G N -2.534 106.259 108.800 -0.013 0.000 2.795 54 G HA2 0.409 4.368 3.960 -0.002 0.000 0.664 54 G HA3 0.409 4.368 3.960 -0.002 0.000 0.664 54 G C 0.877 175.776 174.900 -0.001 0.000 1.381 54 G CA -0.066 45.032 45.100 -0.002 0.000 0.853 54 G HN 2.447 nan 8.290 nan 0.000 0.545 55 G N -2.439 106.367 108.800 0.010 0.000 2.894 55 G HA2 0.371 4.329 3.960 -0.002 0.000 0.247 55 G HA3 0.371 4.329 3.960 -0.002 0.000 0.247 55 G C 0.785 175.707 174.900 0.036 0.000 1.442 55 G CA 1.001 46.117 45.100 0.027 0.000 0.897 55 G HN 2.537 nan 8.290 nan 0.000 0.550 56 V N 0.557 120.516 119.914 0.076 0.000 2.149 56 V HA 0.639 4.758 4.120 -0.002 0.000 0.245 56 V C 1.188 177.299 176.094 0.029 0.000 1.349 56 V CA 1.497 63.842 62.300 0.075 0.000 1.289 56 V CB -0.410 31.518 31.823 0.175 0.000 1.401 56 V HN 1.849 nan 8.190 nan 0.000 0.501 57 T N 0.568 115.114 114.554 -0.013 0.000 2.887 57 T HA 0.905 5.254 4.350 -0.002 0.000 0.288 57 T C -0.448 174.208 174.700 -0.074 0.000 1.021 57 T CA 0.175 62.250 62.100 -0.042 0.000 1.000 57 T CB 1.463 70.322 68.868 -0.015 0.000 1.034 57 T HN 1.627 nan 8.240 nan 0.000 0.467 58 V N 0.683 120.540 119.914 -0.096 0.000 3.145 58 V HA 1.022 5.141 4.120 -0.002 0.000 0.311 58 V C 0.450 176.505 176.094 -0.065 0.000 1.238 58 V CA -1.372 60.874 62.300 -0.090 0.000 1.066 58 V CB 0.927 32.676 31.823 -0.124 0.000 1.144 58 V HN 1.334 nan 8.190 nan 0.000 0.465 59 R N 0.841 121.308 120.500 -0.055 0.000 2.297 59 R HA 0.776 5.114 4.340 -0.002 0.000 0.308 59 R C -0.548 175.732 176.300 -0.032 0.000 1.029 59 R CA 0.147 56.223 56.100 -0.040 0.000 0.929 59 R CB 0.765 31.044 30.300 -0.035 0.000 1.046 59 R HN 1.346 nan 8.270 nan 0.000 0.461 60 M N 3.272 122.860 119.600 -0.019 0.000 2.325 60 M HA 0.434 4.913 4.480 -0.002 0.000 0.305 60 M C 0.966 177.265 176.300 -0.002 0.000 1.047 60 M CA 0.304 55.598 55.300 -0.010 0.000 0.981 60 M CB 0.506 33.106 32.600 0.001 0.000 1.307 60 M HN 1.365 nan 8.290 nan 0.000 0.418 61 G N 1.582 110.379 108.800 -0.005 0.000 2.634 61 G HA2 -0.426 3.533 3.960 -0.002 0.000 0.318 61 G HA3 -0.426 3.533 3.960 -0.002 0.000 0.318 61 G C 0.428 175.328 174.900 0.001 0.000 1.207 61 G CA 0.715 45.814 45.100 -0.001 0.000 0.987 61 G HN 0.885 nan 8.290 nan 0.000 0.547 62 D N 1.380 121.784 120.400 0.007 0.000 2.370 62 D HA 0.577 5.215 4.640 -0.002 0.000 0.230 62 D C 1.107 177.417 176.300 0.017 0.000 1.143 62 D CA 1.443 55.450 54.000 0.010 0.000 0.834 62 D CB -0.108 40.699 40.800 0.012 0.000 0.944 62 D HN 1.542 nan 8.370 nan 0.000 0.504 63 G N -2.046 106.763 108.800 0.016 0.000 2.815 63 G HA2 0.807 4.766 3.960 -0.002 0.000 0.305 63 G HA3 0.807 4.766 3.960 -0.002 0.000 0.305 63 G C -0.953 173.954 174.900 0.013 0.000 1.277 63 G CA 0.269 45.384 45.100 0.025 0.000 0.795 63 G HN 1.088 nan 8.290 nan 0.000 0.528 64 L N -1.777 119.460 121.223 0.023 0.000 2.319 64 L HA 1.021 5.359 4.340 -0.002 0.000 0.267 64 L C 0.193 177.082 176.870 0.031 0.000 1.011 64 L CA -0.725 54.121 54.840 0.010 0.000 0.818 64 L CB 1.175 43.233 42.059 -0.001 0.000 1.316 64 L HN 2.066 nan 8.230 nan 0.000 0.432 65 A N 0.822 123.649 122.820 0.012 0.000 2.398 65 A HA 0.850 5.169 4.320 -0.002 0.000 0.301 65 A C -0.284 177.310 177.584 0.018 0.000 1.041 65 A CA -0.018 52.037 52.037 0.030 0.000 0.711 65 A CB 1.462 20.456 19.000 -0.011 0.000 1.240 65 A HN 1.911 nan 8.150 nan 0.000 0.420 66 S N 0.954 116.733 115.700 0.132 0.000 2.568 66 S HA 0.683 5.152 4.470 -0.002 0.000 0.293 66 S C -1.246 173.595 174.600 0.401 0.000 1.089 66 S CA -0.269 58.034 58.200 0.171 0.000 0.945 66 S CB 0.751 64.050 63.200 0.165 0.000 1.077 66 S HN 0.684 nan 8.310 nan 0.000 0.485 67 W N 2.513 123.935 121.300 0.203 0.000 2.616 67 W HA 0.510 5.169 4.660 -0.002 0.000 0.419 67 W C -0.258 176.385 176.519 0.207 0.000 0.835 67 W CA -0.891 56.596 57.345 0.236 0.000 2.483 67 W CB -0.632 28.920 29.460 0.153 0.000 1.289 67 W HN 0.498 nan 8.180 nan 0.000 0.755 68 S N 0.266 116.178 115.700 0.354 0.000 2.572 68 S HA 0.407 4.876 4.470 -0.002 0.000 0.274 68 S C -2.736 171.715 174.600 -0.248 0.000 1.150 68 S CA -1.172 57.086 58.200 0.097 0.000 0.944 68 S CB 2.586 65.820 63.200 0.057 0.000 1.071 68 S HN -0.293 nan 8.310 nan 0.000 0.479 69 P HA 0.121 nan 4.420 nan 0.000 0.261 69 P C -1.961 174.995 177.300 -0.574 0.000 1.183 69 P CA -0.794 61.868 63.100 -0.731 0.000 0.761 69 P CB -0.001 31.497 31.700 -0.336 0.000 0.785 70 P HA -0.215 nan 4.420 nan 0.000 0.218 70 P C 0.787 177.947 177.300 -0.233 0.000 1.150 70 P CA 1.510 64.388 63.100 -0.369 0.000 0.841 70 P CB -0.073 31.427 31.700 -0.333 0.000 0.784 71 E N -1.214 118.841 120.200 -0.241 0.000 2.516 71 E HA -0.044 4.305 4.350 -0.002 0.000 0.199 71 E C 1.158 177.693 176.600 -0.108 0.000 1.069 71 E CA 0.489 56.802 56.400 -0.144 0.000 0.876 71 E CB -0.448 29.178 29.700 -0.123 0.000 0.843 71 E HN 0.256 nan 8.360 nan 0.000 0.530 72 V N -2.844 116.999 119.914 -0.118 0.000 3.166 72 V HA 0.353 4.472 4.120 -0.002 0.000 0.332 72 V C 0.061 176.119 176.094 -0.059 0.000 1.434 72 V CA -0.437 61.819 62.300 -0.074 0.000 1.121 72 V CB -0.379 31.407 31.823 -0.062 0.000 1.062 72 V HN -0.043 nan 8.190 nan 0.000 0.489 73 L N 0.037 121.218 121.223 -0.069 0.000 2.332 73 L HA 0.629 4.968 4.340 -0.002 0.000 0.269 73 L C -0.043 176.816 176.870 -0.019 0.000 1.016 73 L CA -1.195 53.620 54.840 -0.041 0.000 0.809 73 L CB 2.207 44.236 42.059 -0.050 0.000 1.280 73 L HN -0.059 nan 8.230 nan 0.000 0.447 74 V N 2.615 122.539 119.914 0.017 0.000 2.222 74 V HA 0.048 4.166 4.120 -0.002 0.000 0.253 74 V C 1.390 177.547 176.094 0.105 0.000 1.210 74 V CA -0.017 62.313 62.300 0.051 0.000 1.079 74 V CB 0.353 32.230 31.823 0.090 0.000 1.265 74 V HN 0.712 nan 8.190 nan 0.000 0.494 75 L N 2.416 123.660 121.223 0.035 0.000 2.551 75 L HA 0.269 4.608 4.340 -0.002 0.000 0.228 75 L C 0.943 177.829 176.870 0.026 0.000 1.153 75 L CA 1.383 56.243 54.840 0.033 0.000 0.851 75 L CB -1.124 40.900 42.059 -0.059 0.000 0.959 75 L HN 0.735 nan 8.230 nan 0.000 0.451 76 E N -1.731 118.445 120.200 -0.041 0.000 2.340 76 E HA 0.722 5.071 4.350 -0.002 0.000 0.273 76 E C 0.104 176.428 176.600 -0.460 0.000 0.891 76 E CA -0.163 56.070 56.400 -0.278 0.000 0.757 76 E CB 2.047 31.612 29.700 -0.224 0.000 1.231 76 E HN 0.360 nan 8.360 nan 0.000 0.439 77 G N 0.252 108.442 108.800 -1.016 0.000 2.392 77 G HA2 0.414 4.373 3.960 -0.002 0.000 0.260 77 G HA3 0.414 4.373 3.960 -0.002 0.000 0.260 77 G C -1.390 173.066 174.900 -0.740 0.000 1.226 77 G CA -0.104 44.551 45.100 -0.742 0.000 0.913 77 G HN 0.445 nan 8.290 nan 0.000 0.483 78 T N -1.746 112.681 114.554 -0.212 0.000 3.483 78 T HA 0.691 5.040 4.350 -0.002 0.000 0.329 78 T C -0.728 174.070 174.700 0.162 0.000 1.014 78 T CA 0.624 62.721 62.100 -0.005 0.000 1.056 78 T CB 0.062 68.902 68.868 -0.047 0.000 1.090 78 T HN 2.055 nan 8.240 nan 0.000 0.460 79 L N 2.897 124.263 121.223 0.238 0.000 2.334 79 L HA 1.064 5.402 4.340 -0.002 0.000 0.275 79 L C 0.498 177.420 176.870 0.086 0.000 1.036 79 L CA -0.710 54.220 54.840 0.150 0.000 0.807 79 L CB 0.553 42.685 42.059 0.123 0.000 1.231 79 L HN 1.218 nan 8.230 nan 0.000 0.438 80 A N 1.955 124.809 122.820 0.057 0.000 2.330 80 A HA 1.001 5.319 4.320 -0.002 0.000 0.313 80 A C 0.146 177.748 177.584 0.030 0.000 1.124 80 A CA -0.083 51.978 52.037 0.040 0.000 0.774 80 A CB 0.910 19.930 19.000 0.033 0.000 1.198 80 A HN 2.382 nan 8.150 nan 0.000 0.465 81 R N 1.337 121.853 120.500 0.026 0.000 2.510 81 R HA 0.810 5.149 4.340 -0.002 0.000 0.294 81 R C 0.281 176.591 176.300 0.017 0.000 1.056 81 R CA 0.414 56.525 56.100 0.019 0.000 0.918 81 R CB -0.042 30.267 30.300 0.015 0.000 1.187 81 R HN 2.783 nan 8.270 nan 0.000 0.437 82 M N 0.408 120.017 119.600 0.015 0.000 2.298 82 M HA 0.131 4.610 4.480 -0.002 0.000 0.196 82 M C 1.604 177.914 176.300 0.016 0.000 0.531 82 M CA 2.271 57.580 55.300 0.015 0.000 0.459 82 M CB -2.599 30.008 32.600 0.012 0.000 1.279 82 M HN 3.080 nan 8.290 nan 0.000 0.915 83 G N -3.322 105.488 108.800 0.017 0.000 4.365 83 G HA2 0.413 4.372 3.960 -0.002 0.000 0.214 83 G HA3 0.413 4.372 3.960 -0.002 0.000 0.214 83 G C 1.118 176.028 174.900 0.017 0.000 1.450 83 G CA 1.502 46.612 45.100 0.017 0.000 0.937 83 G HN 3.061 nan 8.290 nan 0.000 0.625 84 Q N 1.027 120.837 119.800 0.017 0.000 2.286 84 Q HA 0.580 4.919 4.340 -0.002 0.000 0.290 84 Q C 0.649 176.663 176.000 0.022 0.000 1.049 84 Q CA 1.815 57.629 55.803 0.018 0.000 0.923 84 Q CB -0.686 28.063 28.738 0.018 0.000 1.183 84 Q HN 2.388 nan 8.270 nan 0.000 0.383 85 T N 0.802 115.369 114.554 0.022 0.000 3.262 85 T HA 0.571 4.920 4.350 -0.002 0.000 0.374 85 T C 0.105 174.823 174.700 0.030 0.000 1.504 85 T CA 0.118 62.234 62.100 0.026 0.000 1.158 85 T CB -0.874 68.006 68.868 0.020 0.000 1.157 85 T HN 1.320 nan 8.240 nan 0.000 0.644 86 Y N 0.747 121.073 120.300 0.042 0.000 2.346 86 Y HA 0.694 5.242 4.550 -0.002 0.000 0.330 86 Y C 0.610 176.550 175.900 0.068 0.000 1.178 86 Y CA -1.869 56.261 58.100 0.050 0.000 1.331 86 Y CB 0.198 38.691 38.460 0.056 0.000 1.253 86 Y HN 1.066 nan 8.280 nan 0.000 0.529 87 A N 3.091 125.939 122.820 0.046 0.000 2.312 87 A HA 0.714 5.033 4.320 -0.002 0.000 0.326 87 A C -0.505 177.116 177.584 0.062 0.000 1.172 87 A CA -0.388 51.656 52.037 0.012 0.000 0.821 87 A CB 0.026 18.999 19.000 -0.045 0.000 1.166 87 A HN 1.650 nan 8.150 nan 0.000 0.493 88 Y N 0.435 120.736 120.300 0.003 0.000 2.654 88 Y HA 0.917 5.465 4.550 -0.002 0.000 0.327 88 Y C -0.170 175.724 175.900 -0.009 0.000 1.122 88 Y CA -1.565 56.538 58.100 0.006 0.000 1.227 88 Y CB 1.190 39.652 38.460 0.003 0.000 1.370 88 Y HN 0.648 nan 8.280 nan 0.000 0.528 89 R N 1.662 122.316 120.500 0.256 0.000 2.792 89 R HA 0.372 4.711 4.340 -0.002 0.000 0.285 89 R C -2.653 173.688 176.300 0.068 0.000 1.207 89 R CA -0.371 55.760 56.100 0.052 0.000 1.091 89 R CB 0.390 30.677 30.300 -0.021 0.000 1.263 89 R HN 0.727 nan 8.270 nan 0.000 0.403 90 L N 4.845 126.068 121.223 -0.001 0.000 2.334 90 L HA 0.511 4.850 4.340 -0.002 0.000 0.277 90 L C -0.469 176.272 176.870 -0.216 0.000 1.075 90 L CA -0.552 54.289 54.840 0.002 0.000 0.804 90 L CB 0.626 42.715 42.059 0.050 0.000 1.174 90 L HN 0.629 nan 8.230 nan 0.000 0.438 91 Y N 1.277 121.615 120.300 0.062 0.000 2.338 91 Y HA 0.489 5.037 4.550 -0.002 0.000 0.333 91 Y C -1.699 174.238 175.900 0.061 0.000 0.968 91 Y CA -1.406 56.725 58.100 0.052 0.000 1.123 91 Y CB 1.306 39.794 38.460 0.047 0.000 1.165 91 Y HN 0.551 nan 8.280 nan 0.000 0.452 92 P HA 0.387 nan 4.420 nan 0.000 0.271 92 P C -0.362 177.052 177.300 0.191 0.000 1.233 92 P CA 0.064 63.264 63.100 0.167 0.000 0.764 92 P CB 0.086 31.859 31.700 0.121 0.000 0.825 93 K N 2.822 123.335 120.400 0.188 0.000 3.253 93 K HA 0.666 4.984 4.320 -0.002 0.000 0.174 93 K C 0.677 177.355 176.600 0.131 0.000 1.071 93 K CA 0.389 56.763 56.287 0.145 0.000 0.836 93 K CB 0.037 32.607 32.500 0.115 0.000 0.922 93 K HN 1.513 nan 8.250 nan 0.000 0.565 94 G N 0.885 109.780 108.800 0.159 0.000 2.660 94 G HA2 -0.100 3.859 3.960 -0.002 0.000 0.215 94 G HA3 -0.100 3.859 3.960 -0.002 0.000 0.215 94 G C -0.755 174.186 174.900 0.068 0.000 1.345 94 G CA -0.462 44.699 45.100 0.103 0.000 0.877 94 G HN 0.849 nan 8.290 nan 0.000 0.549 95 R N -0.585 119.892 120.500 -0.038 0.000 2.510 95 R HA 0.729 5.067 4.340 -0.002 0.000 0.287 95 R C 0.057 176.309 176.300 -0.080 0.000 1.084 95 R CA -0.213 55.813 56.100 -0.125 0.000 0.934 95 R CB 1.654 31.736 30.300 -0.364 0.000 1.201 95 R HN 1.099 nan 8.270 nan 0.000 0.431 96 R N 2.761 123.237 120.500 -0.040 0.000 2.393 96 R HA 0.537 4.875 4.340 -0.002 0.000 0.310 96 R C -2.731 173.556 176.300 -0.021 0.000 0.968 96 R CA -1.985 54.102 56.100 -0.023 0.000 0.867 96 R CB -0.012 30.288 30.300 0.000 0.000 1.124 96 R HN 0.329 nan 8.270 nan 0.000 0.450 97 P HA 0.312 nan 4.420 nan 0.000 0.271 97 P C -0.986 176.317 177.300 0.006 0.000 1.216 97 P CA -0.410 62.682 63.100 -0.014 0.000 0.771 97 P CB 0.756 32.444 31.700 -0.021 0.000 0.864 98 L N 3.124 124.361 121.223 0.023 0.000 2.334 98 L HA 0.470 4.809 4.340 -0.002 0.000 0.273 98 L C 0.091 176.976 176.870 0.025 0.000 1.013 98 L CA -0.119 54.740 54.840 0.031 0.000 0.816 98 L CB 1.378 43.471 42.059 0.055 0.000 1.278 98 L HN 0.248 nan 8.230 nan 0.000 0.431 99 D N 2.869 123.281 120.400 0.021 0.000 2.441 99 D HA 0.401 5.040 4.640 -0.002 0.000 0.231 99 D C -1.991 174.321 176.300 0.021 0.000 1.073 99 D CA -1.968 52.041 54.000 0.015 0.000 0.850 99 D CB 2.002 42.807 40.800 0.009 0.000 1.062 99 D HN 0.157 nan 8.370 nan 0.000 0.524 100 P HA -0.134 nan 4.420 nan 0.000 0.219 100 P C 1.076 178.392 177.300 0.027 0.000 1.146 100 P CA 0.874 63.990 63.100 0.028 0.000 0.808 100 P CB 0.314 32.022 31.700 0.014 0.000 0.779 101 K N -0.474 119.936 120.400 0.018 0.000 2.209 101 K HA -0.084 4.234 4.320 -0.002 0.000 0.204 101 K C 0.830 177.441 176.600 0.019 0.000 1.048 101 K CA 0.788 57.085 56.287 0.017 0.000 0.940 101 K CB -0.845 31.661 32.500 0.010 0.000 0.729 101 K HN 0.312 nan 8.250 nan 0.000 0.451 102 D N 0.124 120.536 120.400 0.019 0.000 2.256 102 D HA 0.095 4.734 4.640 -0.002 0.000 0.250 102 D C -1.686 174.627 176.300 0.022 0.000 1.093 102 D CA -1.385 52.625 54.000 0.017 0.000 0.882 102 D CB 2.276 43.085 40.800 0.014 0.000 1.185 102 D HN -0.100 nan 8.370 nan 0.000 0.437 103 P HA -0.071 nan 4.420 nan 0.000 0.214 103 P C 1.288 178.598 177.300 0.016 0.000 1.162 103 P CA 2.045 65.156 63.100 0.019 0.000 0.879 103 P CB -0.258 31.450 31.700 0.013 0.000 0.786 104 G N -0.902 107.905 108.800 0.012 0.000 2.418 104 G HA2 -0.098 3.860 3.960 -0.002 0.000 0.217 104 G HA3 -0.098 3.860 3.960 -0.002 0.000 0.217 104 G C 1.712 176.618 174.900 0.011 0.000 1.158 104 G CA 1.808 46.913 45.100 0.009 0.000 0.771 104 G HN 0.570 nan 8.290 nan 0.000 0.545 105 E N 0.916 121.126 120.200 0.015 0.000 2.028 105 E HA -0.111 4.237 4.350 -0.002 0.000 0.191 105 E C 2.355 178.971 176.600 0.027 0.000 0.988 105 E CA 1.460 57.871 56.400 0.019 0.000 0.799 105 E CB -0.711 29.001 29.700 0.020 0.000 0.755 105 E HN 0.561 nan 8.360 nan 0.000 0.447 106 R N 0.858 121.380 120.500 0.036 0.000 2.170 106 R HA -0.176 4.162 4.340 -0.002 0.000 0.242 106 R C 2.605 178.939 176.300 0.055 0.000 1.145 106 R CA 2.115 58.248 56.100 0.055 0.000 0.984 106 R CB -0.523 29.815 30.300 0.064 0.000 0.869 106 R HN 0.529 nan 8.270 nan 0.000 0.455 107 S N -0.130 115.589 115.700 0.033 0.000 2.370 107 S HA -0.160 4.309 4.470 -0.002 0.000 0.226 107 S C 2.014 176.620 174.600 0.010 0.000 1.033 107 S CA 1.414 59.627 58.200 0.020 0.000 1.011 107 S CB -0.779 62.424 63.200 0.004 0.000 0.852 107 S HN 0.281 nan 8.310 nan 0.000 0.457 108 V N 1.595 121.507 119.914 -0.004 0.000 2.591 108 V HA 0.111 4.229 4.120 -0.002 0.000 0.249 108 V C 2.194 178.244 176.094 -0.072 0.000 1.053 108 V CA 1.128 63.405 62.300 -0.039 0.000 1.068 108 V CB -0.627 31.172 31.823 -0.041 0.000 0.689 108 V HN 0.591 nan 8.190 nan 0.000 0.462 109 L N 0.224 121.436 121.223 -0.019 0.000 2.042 109 L HA -0.143 4.196 4.340 -0.002 0.000 0.210 109 L C 2.722 179.608 176.870 0.027 0.000 1.076 109 L CA 2.064 56.905 54.840 0.002 0.000 0.749 109 L CB -0.850 41.283 42.059 0.122 0.000 0.893 109 L HN 0.336 nan 8.230 nan 0.000 0.432 110 S N -0.131 115.629 115.700 0.099 0.000 2.399 110 S HA -0.143 4.325 4.470 -0.002 0.000 0.231 110 S C 2.171 176.825 174.600 0.091 0.000 1.022 110 S CA 1.061 59.368 58.200 0.179 0.000 0.983 110 S CB -0.242 63.093 63.200 0.226 0.000 0.803 110 S HN 0.499 nan 8.310 nan 0.000 0.480 111 A N 1.801 124.619 122.820 -0.004 0.000 1.858 111 A HA -0.028 4.291 4.320 -0.002 0.000 0.216 111 A C 2.095 179.603 177.584 -0.126 0.000 1.190 111 A CA 1.210 53.216 52.037 -0.051 0.000 0.617 111 A CB -0.822 18.134 19.000 -0.074 0.000 0.827 111 A HN 0.450 nan 8.150 nan 0.000 0.443 112 L N -0.721 120.323 121.223 -0.299 0.000 2.079 112 L HA -0.237 4.101 4.340 -0.002 0.000 0.210 112 L C 3.082 179.754 176.870 -0.329 0.000 1.081 112 L CA 1.113 55.606 54.840 -0.577 0.000 0.752 112 L CB -0.585 40.586 42.059 -1.481 0.000 0.896 112 L HN 0.464 nan 8.230 nan 0.000 0.433 113 A N 0.396 123.167 122.820 -0.082 0.000 1.902 113 A HA -0.220 4.098 4.320 -0.002 0.000 0.217 113 A C 2.713 180.359 177.584 0.103 0.000 1.181 113 A CA 2.142 54.312 52.037 0.223 0.000 0.623 113 A CB -0.742 18.521 19.000 0.439 0.000 0.818 113 A HN 0.397 nan 8.150 nan 0.000 0.443 114 R N -1.163 119.384 120.500 0.079 0.000 2.075 114 R HA -0.067 4.272 4.340 -0.002 0.000 0.232 114 R C 2.555 178.872 176.300 0.028 0.000 1.126 114 R CA 2.451 58.589 56.100 0.063 0.000 0.963 114 R CB -1.758 28.583 30.300 0.068 0.000 0.858 114 R HN 0.758 nan 8.270 nan 0.000 0.435 115 R N 0.820 121.321 120.500 0.002 0.000 2.120 115 R HA 0.177 4.515 4.340 -0.002 0.000 0.234 115 R C 2.427 178.745 176.300 0.029 0.000 1.123 115 R CA 1.591 57.690 56.100 -0.002 0.000 0.975 115 R CB -1.335 28.942 30.300 -0.038 0.000 0.866 115 R HN 0.657 nan 8.270 nan 0.000 0.446 116 L N -0.305 120.955 121.223 0.063 0.000 1.994 116 L HA -0.107 4.232 4.340 -0.002 0.000 0.208 116 L C 2.566 179.449 176.870 0.021 0.000 1.071 116 L CA 1.972 56.871 54.840 0.100 0.000 0.745 116 L CB -0.323 41.853 42.059 0.194 0.000 0.892 116 L HN 0.393 nan 8.230 nan 0.000 0.431 117 L N -0.027 121.192 121.223 -0.007 0.000 2.079 117 L HA -0.275 4.064 4.340 -0.002 0.000 0.210 117 L C 2.480 179.348 176.870 -0.003 0.000 1.081 117 L CA 1.868 56.691 54.840 -0.028 0.000 0.752 117 L CB -0.591 41.455 42.059 -0.022 0.000 0.896 117 L HN 0.416 nan 8.230 nan 0.000 0.433 118 Q N -1.209 118.598 119.800 0.012 0.000 2.062 118 Q HA -0.132 4.207 4.340 -0.002 0.000 0.196 118 Q C 2.018 178.029 176.000 0.018 0.000 0.967 118 Q CA 1.206 57.019 55.803 0.018 0.000 0.832 118 Q CB -0.135 28.614 28.738 0.019 0.000 0.899 118 Q HN 0.453 nan 8.270 nan 0.000 0.442 119 E N 0.592 120.804 120.200 0.019 0.000 2.268 119 E HA -0.105 4.244 4.350 -0.002 0.000 0.195 119 E C 1.732 178.340 176.600 0.014 0.000 0.995 119 E CA 0.808 57.221 56.400 0.021 0.000 0.836 119 E CB 0.143 29.863 29.700 0.033 0.000 0.763 119 E HN 0.263 nan 8.360 nan 0.000 0.491 120 R N -0.437 120.064 120.500 0.002 0.000 2.206 120 R HA 0.196 4.535 4.340 -0.002 0.000 0.198 120 R C 2.417 178.706 176.300 -0.019 0.000 0.986 120 R CA 0.030 56.119 56.100 -0.018 0.000 1.029 120 R CB 0.166 30.439 30.300 -0.046 0.000 0.966 120 R HN 0.111 nan 8.270 nan 0.000 0.487 121 L N 1.049 122.272 121.223 -0.001 0.000 2.131 121 L HA -0.089 4.250 4.340 -0.002 0.000 0.206 121 L C 2.577 179.476 176.870 0.048 0.000 1.087 121 L CA 1.084 55.943 54.840 0.030 0.000 0.767 121 L CB -0.303 41.785 42.059 0.048 0.000 0.917 121 L HN 0.185 nan 8.230 nan 0.000 0.441 122 R N 1.554 122.076 120.500 0.036 0.000 2.120 122 R HA -0.176 4.162 4.340 -0.002 0.000 0.234 122 R C 1.546 177.868 176.300 0.037 0.000 1.123 122 R CA 1.284 57.408 56.100 0.040 0.000 0.975 122 R CB -0.582 29.737 30.300 0.032 0.000 0.866 122 R HN 0.406 nan 8.270 nan 0.000 0.446 123 R N 1.262 121.777 120.500 0.024 0.000 3.351 123 R HA 0.318 4.657 4.340 -0.002 0.000 0.296 123 R C -0.566 175.744 176.300 0.016 0.000 1.427 123 R CA -0.223 55.888 56.100 0.018 0.000 1.257 123 R CB 0.101 30.405 30.300 0.007 0.000 1.378 123 R HN 0.128 nan 8.270 nan 0.000 0.610 124 L N 0.839 122.085 121.223 0.038 0.000 2.331 124 L HA 0.312 4.651 4.340 -0.002 0.000 0.275 124 L C 0.421 177.337 176.870 0.076 0.000 1.022 124 L CA -0.959 53.913 54.840 0.053 0.000 0.812 124 L CB 2.057 44.173 42.059 0.096 0.000 1.257 124 L HN 0.145 nan 8.230 nan 0.000 0.435 125 E N 1.165 121.410 120.200 0.075 0.000 2.526 125 E HA 0.006 4.355 4.350 -0.002 0.000 0.198 125 E C 1.137 177.796 176.600 0.098 0.000 1.091 125 E CA 0.290 56.734 56.400 0.073 0.000 0.880 125 E CB 0.010 29.745 29.700 0.059 0.000 0.873 125 E HN 0.765 nan 8.360 nan 0.000 0.527 126 G N 0.204 109.088 108.800 0.140 0.000 2.913 126 G HA2 0.331 4.290 3.960 -0.002 0.000 0.145 126 G HA3 0.331 4.290 3.960 -0.002 0.000 0.145 126 G C 0.628 175.583 174.900 0.091 0.000 1.801 126 G CA 0.538 45.721 45.100 0.138 0.000 1.033 126 G HN 0.285 nan 8.290 nan 0.000 0.495 127 V N -3.260 116.709 119.914 0.092 0.000 3.329 127 V HA 0.669 4.787 4.120 -0.002 0.000 0.308 127 V C 0.924 177.083 176.094 0.108 0.000 1.375 127 V CA -0.426 61.926 62.300 0.088 0.000 1.015 127 V CB -0.237 31.638 31.823 0.086 0.000 1.155 127 V HN 1.356 nan 8.190 nan 0.000 0.479 128 W N -1.168 120.207 121.300 0.125 0.000 2.186 128 W HA 0.472 5.131 4.660 -0.002 0.000 0.355 128 W C -0.027 176.603 176.519 0.186 0.000 1.293 128 W CA 0.719 58.150 57.345 0.143 0.000 1.316 128 W CB -0.459 29.079 29.460 0.129 0.000 1.212 128 W HN 1.174 nan 8.180 nan 0.000 0.610 129 V N 2.096 122.101 119.914 0.151 0.000 2.670 129 V HA 0.435 4.554 4.120 -0.002 0.000 0.258 129 V C 0.145 176.309 176.094 0.117 0.000 0.906 129 V CA -0.688 61.683 62.300 0.119 0.000 0.887 129 V CB 0.008 31.875 31.823 0.074 0.000 1.059 129 V HN 1.124 nan 8.190 nan 0.000 0.484 130 E N 1.949 122.259 120.200 0.184 0.000 1.814 130 E HA 0.561 4.910 4.350 -0.002 0.000 0.264 130 E C 1.251 177.910 176.600 0.099 0.000 1.179 130 E CA 0.834 57.320 56.400 0.144 0.000 0.972 130 E CB 0.318 30.130 29.700 0.186 0.000 1.077 130 E HN 1.684 nan 8.360 nan 0.000 0.417 131 G N 0.966 109.803 108.800 0.062 0.000 2.559 131 G HA2 -0.266 3.692 3.960 -0.002 0.000 0.282 131 G HA3 -0.266 3.692 3.960 -0.002 0.000 0.282 131 G C 0.824 175.744 174.900 0.033 0.000 1.177 131 G CA 0.251 45.376 45.100 0.042 0.000 0.960 131 G HN 0.998 nan 8.290 nan 0.000 0.540 132 L N 2.822 124.062 121.223 0.028 0.000 2.591 132 L HA 0.661 4.999 4.340 -0.002 0.000 0.228 132 L C 1.893 178.756 176.870 -0.012 0.000 1.133 132 L CA 1.319 56.170 54.840 0.019 0.000 0.880 132 L CB -0.591 41.485 42.059 0.028 0.000 1.033 132 L HN 0.956 nan 8.230 nan 0.000 0.450 133 A N -0.980 121.826 122.820 -0.022 0.000 2.256 133 A HA 0.796 5.115 4.320 -0.002 0.000 0.318 133 A C -0.620 176.830 177.584 -0.223 0.000 1.103 133 A CA -0.403 51.547 52.037 -0.144 0.000 0.860 133 A CB 1.352 20.305 19.000 -0.079 0.000 1.182 133 A HN -0.109 nan 8.150 nan 0.000 0.501 134 V N 0.207 119.786 119.914 -0.558 0.000 2.852 134 V HA 0.382 4.501 4.120 -0.002 0.000 0.300 134 V C -2.019 173.637 176.094 -0.730 0.000 1.205 134 V CA -0.287 61.769 62.300 -0.408 0.000 0.940 134 V CB 1.839 33.551 31.823 -0.186 0.000 1.047 134 V HN 0.784 nan 8.190 nan 0.000 0.429 135 Y N 3.639 123.914 120.300 -0.042 0.000 2.332 135 Y HA 0.650 5.199 4.550 -0.002 0.000 0.326 135 Y C 0.930 176.775 175.900 -0.092 0.000 0.978 135 Y CA -0.268 57.794 58.100 -0.063 0.000 1.205 135 Y CB 1.666 40.114 38.460 -0.019 0.000 1.131 135 Y HN 0.689 nan 8.280 nan 0.000 0.462 136 R N 3.235 123.691 120.500 -0.073 0.000 2.048 136 R HA 0.142 4.481 4.340 -0.002 0.000 0.224 136 R C 1.206 177.469 176.300 -0.063 0.000 1.163 136 R CA 1.633 57.633 56.100 -0.167 0.000 0.956 136 R CB -0.392 29.668 30.300 -0.400 0.000 0.849 136 R HN 0.787 nan 8.270 nan 0.000 0.435 137 R N -0.270 120.213 120.500 -0.029 0.000 2.748 137 R HA 0.553 4.892 4.340 -0.002 0.000 0.220 137 R C -0.886 175.462 176.300 0.079 0.000 1.404 137 R CA -0.540 55.569 56.100 0.015 0.000 1.039 137 R CB 0.769 31.074 30.300 0.009 0.000 1.904 137 R HN 0.337 nan 8.270 nan 0.000 0.529 138 E N -0.505 119.750 120.200 0.091 0.000 2.260 138 E HA 0.144 4.493 4.350 -0.002 0.000 0.266 138 E C -0.435 176.265 176.600 0.166 0.000 0.887 138 E CA -0.524 55.953 56.400 0.127 0.000 0.777 138 E CB 1.804 31.549 29.700 0.075 0.000 1.205 138 E HN 0.591 nan 8.360 nan 0.000 0.414 139 H N 2.112 121.271 119.070 0.148 0.000 2.482 139 H HA 0.262 4.816 4.556 -0.002 0.000 0.286 139 H C -0.291 175.106 175.328 0.115 0.000 1.017 139 H CA 0.999 57.134 56.048 0.146 0.000 1.322 139 H CB 0.598 30.472 29.762 0.187 0.000 1.426 139 H HN 0.551 nan 8.280 nan 0.000 0.546 140 A N -0.917 122.022 122.820 0.198 0.000 2.599 140 A HA 0.611 4.930 4.320 -0.002 0.000 0.294 140 A C -0.553 177.121 177.584 0.151 0.000 1.055 140 A CA -0.037 52.121 52.037 0.202 0.000 0.683 140 A CB 0.749 20.008 19.000 0.430 0.000 1.278 140 A HN 0.342 nan 8.150 nan 0.000 0.412 141 R N 0.837 121.306 120.500 -0.052 0.000 2.638 141 R HA 0.619 4.958 4.340 -0.002 0.000 0.269 141 R C 0.517 176.470 176.300 -0.580 0.000 1.393 141 R CA 0.378 56.340 56.100 -0.230 0.000 1.531 141 R CB 0.302 30.527 30.300 -0.124 0.000 1.327 141 R HN 2.340 nan 8.270 nan 0.000 0.709 142 G N 0.544 108.475 108.800 -1.448 0.000 2.716 142 G HA2 0.464 4.423 3.960 -0.002 0.000 0.251 142 G HA3 0.464 4.423 3.960 -0.002 0.000 0.251 142 G C -1.530 172.688 174.900 -1.136 0.000 1.224 142 G CA -0.099 43.959 45.100 -1.738 0.000 0.891 142 G HN 0.586 nan 8.290 nan 0.000 0.561 143 P HA 0.514 nan 4.420 nan 0.000 0.273 143 P C 0.794 177.967 177.300 -0.212 0.000 1.428 143 P CA 0.996 63.910 63.100 -0.311 0.000 0.995 143 P CB -0.282 31.343 31.700 -0.126 0.000 1.286 144 G N 1.513 110.213 108.800 -0.167 0.000 2.316 144 G HA2 -0.098 3.861 3.960 -0.002 0.000 0.203 144 G HA3 -0.098 3.861 3.960 -0.002 0.000 0.203 144 G C 0.138 175.163 174.900 0.208 0.000 0.999 144 G CA 0.133 45.290 45.100 0.095 0.000 0.649 144 G HN 0.774 nan 8.290 nan 0.000 0.489 145 W N -0.264 121.098 121.300 0.102 0.000 2.950 145 W HA 0.859 5.518 4.660 -0.002 0.000 0.340 145 W C -0.270 176.271 176.519 0.037 0.000 1.139 145 W CA -1.031 56.352 57.345 0.063 0.000 1.188 145 W CB 0.905 30.413 29.460 0.081 0.000 1.426 145 W HN 0.806 nan 8.180 nan 0.000 0.531 146 R N 0.895 121.587 120.500 0.320 0.000 2.538 146 R HA 0.630 4.969 4.340 -0.002 0.000 0.292 146 R C -1.930 174.518 176.300 0.246 0.000 1.008 146 R CA -0.804 55.425 56.100 0.215 0.000 0.896 146 R CB 1.405 31.746 30.300 0.069 0.000 1.187 146 R HN 0.539 nan 8.270 nan 0.000 0.440 147 V N 3.394 123.482 119.914 0.290 0.000 2.275 147 V HA 0.682 4.801 4.120 -0.002 0.000 0.272 147 V C 0.656 176.869 176.094 0.198 0.000 1.028 147 V CA -0.526 61.901 62.300 0.211 0.000 0.810 147 V CB 0.778 32.731 31.823 0.215 0.000 1.043 147 V HN 0.958 nan 8.190 nan 0.000 0.453 148 L N 3.328 124.618 121.223 0.111 0.000 2.375 148 L HA 1.061 5.400 4.340 -0.002 0.000 0.271 148 L C 0.752 177.764 176.870 0.238 0.000 1.107 148 L CA 0.027 54.938 54.840 0.118 0.000 0.806 148 L CB 0.996 43.040 42.059 -0.026 0.000 1.146 148 L HN 0.771 nan 8.230 nan 0.000 0.447 149 G N -0.070 108.915 108.800 0.309 0.000 2.481 149 G HA2 0.883 4.842 3.960 -0.002 0.000 0.315 149 G HA3 0.883 4.842 3.960 -0.002 0.000 0.315 149 G C -0.141 174.875 174.900 0.194 0.000 1.231 149 G CA -0.197 45.059 45.100 0.260 0.000 0.968 149 G HN 1.615 nan 8.290 nan 0.000 0.482 150 G N -1.367 107.428 108.800 -0.009 0.000 2.682 150 G HA2 0.834 4.793 3.960 -0.002 0.000 0.290 150 G HA3 0.834 4.793 3.960 -0.002 0.000 0.290 150 G C -1.268 173.425 174.900 -0.346 0.000 1.425 150 G CA 0.101 45.014 45.100 -0.312 0.000 0.807 150 G HN 1.434 nan 8.290 nan 0.000 0.482 151 A N -0.710 121.878 122.820 -0.386 0.000 2.380 151 A HA 0.836 5.155 4.320 -0.002 0.000 0.315 151 A C -0.938 176.486 177.584 -0.268 0.000 1.101 151 A CA -0.606 51.283 52.037 -0.248 0.000 0.771 151 A CB 2.013 20.905 19.000 -0.179 0.000 1.287 151 A HN 1.256 nan 8.150 nan 0.000 0.436 152 V N 2.300 122.125 119.914 -0.147 0.000 2.459 152 V HA 0.573 4.692 4.120 -0.002 0.000 0.295 152 V C -0.259 175.822 176.094 -0.023 0.000 1.029 152 V CA -0.200 62.045 62.300 -0.093 0.000 0.874 152 V CB 1.061 32.861 31.823 -0.037 0.000 0.985 152 V HN 0.766 nan 8.190 nan 0.000 0.438 153 L N 3.252 124.475 121.223 0.000 0.000 2.309 153 L HA 0.825 5.164 4.340 -0.002 0.000 0.261 153 L C -1.224 175.702 176.870 0.094 0.000 1.021 153 L CA -0.659 54.208 54.840 0.045 0.000 0.823 153 L CB 2.406 44.477 42.059 0.019 0.000 1.366 153 L HN 0.564 nan 8.230 nan 0.000 0.423 154 D N 1.036 121.529 120.400 0.154 0.000 2.803 154 D HA 0.460 5.099 4.640 -0.002 0.000 0.218 154 D C -1.957 174.494 176.300 0.252 0.000 1.245 154 D CA -0.316 53.824 54.000 0.234 0.000 0.821 154 D CB 2.393 43.390 40.800 0.328 0.000 1.626 154 D HN 0.304 nan 8.370 nan 0.000 0.487 155 L N 4.903 126.268 121.223 0.237 0.000 2.406 155 L HA 0.634 4.973 4.340 -0.002 0.000 0.270 155 L C -1.644 175.400 176.870 0.290 0.000 0.982 155 L CA -0.444 54.468 54.840 0.120 0.000 0.843 155 L CB 0.758 42.820 42.059 0.004 0.000 1.225 155 L HN 0.701 nan 8.230 nan 0.000 0.412 156 W N 5.252 126.654 121.300 0.170 0.000 3.207 156 W HA 0.809 5.468 4.660 -0.002 0.000 0.326 156 W C -1.588 175.067 176.519 0.227 0.000 1.190 156 W CA -0.994 56.456 57.345 0.174 0.000 1.011 156 W CB 0.560 30.081 29.460 0.102 0.000 1.511 156 W HN 0.116 nan 8.180 nan 0.000 0.606 157 V N 2.459 122.615 119.914 0.405 0.000 2.547 157 V HA 0.520 4.639 4.120 -0.002 0.000 0.299 157 V C 0.482 176.738 176.094 0.270 0.000 1.040 157 V CA -0.479 61.940 62.300 0.198 0.000 0.913 157 V CB 0.803 32.717 31.823 0.151 0.000 0.992 157 V HN 0.772 nan 8.190 nan 0.000 0.449 158 S N 1.973 117.742 115.700 0.115 0.000 2.590 158 S HA 0.317 4.786 4.470 -0.002 0.000 0.282 158 S C 0.615 175.272 174.600 0.095 0.000 1.136 158 S CA -0.318 57.973 58.200 0.151 0.000 1.030 158 S CB 0.777 64.029 63.200 0.086 0.000 1.195 158 S HN 0.672 nan 8.310 nan 0.000 0.506 159 D N 1.413 121.860 120.400 0.079 0.000 2.103 159 D HA -0.054 4.585 4.640 -0.002 0.000 0.199 159 D C 2.241 178.554 176.300 0.023 0.000 0.978 159 D CA 1.679 55.709 54.000 0.051 0.000 0.829 159 D CB -1.031 39.798 40.800 0.048 0.000 0.981 159 D HN 0.616 nan 8.370 nan 0.000 0.464 160 S N -0.204 115.503 115.700 0.012 0.000 2.474 160 S HA 0.164 4.632 4.470 -0.002 0.000 0.235 160 S C 1.805 176.385 174.600 -0.033 0.000 0.997 160 S CA 0.746 58.941 58.200 -0.009 0.000 0.949 160 S CB -0.179 63.015 63.200 -0.010 0.000 0.766 160 S HN 0.472 nan 8.310 nan 0.000 0.517 161 G N 0.502 109.276 108.800 -0.043 0.000 2.167 161 G HA2 0.139 4.098 3.960 -0.002 0.000 0.194 161 G HA3 0.139 4.098 3.960 -0.002 0.000 0.194 161 G C -0.095 174.694 174.900 -0.185 0.000 1.027 161 G CA -0.262 44.782 45.100 -0.093 0.000 0.717 161 G HN 1.161 nan 8.290 nan 0.000 0.501 162 A N -0.228 122.495 122.820 -0.162 0.000 2.337 162 A HA 0.854 5.173 4.320 -0.002 0.000 0.329 162 A C 0.097 177.559 177.584 -0.204 0.000 1.146 162 A CA -0.814 51.100 52.037 -0.206 0.000 0.800 162 A CB 0.862 19.804 19.000 -0.096 0.000 1.220 162 A HN 0.679 nan 8.150 nan 0.000 0.472 163 F N 0.900 120.811 119.950 -0.065 0.000 2.602 163 F HA 0.208 4.733 4.527 -0.002 0.000 0.367 163 F C 0.468 176.121 175.800 -0.244 0.000 1.126 163 F CA 0.817 58.745 58.000 -0.120 0.000 1.321 163 F CB 0.415 39.370 39.000 -0.075 0.000 1.094 163 F HN 0.301 nan 8.300 nan 0.000 0.594 164 L N 4.968 126.017 121.223 -0.290 0.000 2.356 164 L HA 0.432 4.771 4.340 -0.002 0.000 0.277 164 L C -0.975 175.473 176.870 -0.704 0.000 0.996 164 L CA -0.691 53.760 54.840 -0.649 0.000 0.822 164 L CB 1.851 43.153 42.059 -1.262 0.000 1.256 164 L HN 0.477 nan 8.230 nan 0.000 0.413 165 L N 4.691 125.712 121.223 -0.338 0.000 2.342 165 L HA 0.448 4.786 4.340 -0.002 0.000 0.276 165 L C -0.578 176.316 176.870 0.041 0.000 0.997 165 L CA -0.180 54.577 54.840 -0.139 0.000 0.838 165 L CB 1.774 43.800 42.059 -0.055 0.000 1.224 165 L HN 0.725 nan 8.230 nan 0.000 0.416 166 E N 4.219 124.485 120.200 0.110 0.000 2.146 166 E HA 0.473 4.822 4.350 -0.002 0.000 0.282 166 E C -1.472 175.264 176.600 0.227 0.000 0.989 166 E CA -0.545 56.020 56.400 0.274 0.000 0.799 166 E CB 1.623 31.604 29.700 0.468 0.000 1.088 166 E HN 0.484 nan 8.360 nan 0.000 0.397 167 V N 4.053 124.123 119.914 0.260 0.000 2.581 167 V HA 0.406 4.524 4.120 -0.002 0.000 0.303 167 V C -0.555 175.635 176.094 0.160 0.000 1.041 167 V CA -0.714 61.686 62.300 0.168 0.000 0.907 167 V CB 1.920 33.820 31.823 0.129 0.000 0.994 167 V HN 0.715 nan 8.190 nan 0.000 0.442 168 D N 3.689 124.137 120.400 0.080 0.000 2.452 168 D HA 0.376 5.015 4.640 -0.002 0.000 0.226 168 D C -2.965 173.332 176.300 -0.006 0.000 1.366 168 D CA -1.220 52.822 54.000 0.069 0.000 0.986 168 D CB 2.630 43.476 40.800 0.077 0.000 1.420 168 D HN 0.210 nan 8.370 nan 0.000 0.583 169 P HA 0.405 nan 4.420 nan 0.000 0.266 169 P C -1.222 175.994 177.300 -0.141 0.000 1.193 169 P CA -0.105 62.918 63.100 -0.128 0.000 0.770 169 P CB 0.811 32.431 31.700 -0.134 0.000 0.836 170 A N 2.198 124.885 122.820 -0.222 0.000 2.577 170 A HA 0.593 4.912 4.320 -0.002 0.000 0.297 170 A C -1.737 175.780 177.584 -0.112 0.000 1.060 170 A CA -0.466 51.496 52.037 -0.125 0.000 0.697 170 A CB 0.632 19.627 19.000 -0.008 0.000 1.281 170 A HN 0.342 nan 8.150 nan 0.000 0.402 171 Y N 0.327 120.693 120.300 0.110 0.000 2.519 171 Y HA 0.837 5.386 4.550 -0.002 0.000 0.324 171 Y C 0.625 176.587 175.900 0.104 0.000 1.214 171 Y CA -0.312 57.852 58.100 0.108 0.000 1.260 171 Y CB 1.456 39.907 38.460 -0.016 0.000 1.311 171 Y HN 0.790 nan 8.280 nan 0.000 0.505 172 R N 1.015 121.618 120.500 0.172 0.000 2.604 172 R HA 0.555 4.894 4.340 -0.002 0.000 0.281 172 R C -2.224 174.052 176.300 -0.041 0.000 1.020 172 R CA -0.431 55.641 56.100 -0.046 0.000 0.899 172 R CB 0.874 30.917 30.300 -0.428 0.000 1.205 172 R HN 0.692 nan 8.270 nan 0.000 0.450 173 I N 4.885 125.433 120.570 -0.037 0.000 2.306 173 I HA 0.524 4.693 4.170 -0.002 0.000 0.288 173 I C -0.286 175.811 176.117 -0.032 0.000 1.036 173 I CA -0.503 60.785 61.300 -0.021 0.000 1.221 173 I CB 1.277 39.251 38.000 -0.044 0.000 1.385 173 I HN 0.441 nan 8.210 nan 0.000 0.472 174 L N 5.968 127.187 121.223 -0.006 0.000 2.362 174 L HA 0.820 5.159 4.340 -0.002 0.000 0.275 174 L C -0.053 176.838 176.870 0.035 0.000 0.998 174 L CA -0.797 54.032 54.840 -0.019 0.000 0.820 174 L CB 1.193 43.221 42.059 -0.053 0.000 1.270 174 L HN 0.930 nan 8.230 nan 0.000 0.415 175 C N 0.383 119.687 119.300 0.006 0.000 2.562 175 C HA 0.911 5.370 4.460 -0.002 0.000 0.332 175 C C 1.001 175.994 174.990 0.004 0.000 1.201 175 C CA -0.236 58.803 59.018 0.035 0.000 1.803 175 C CB 1.366 29.104 27.740 -0.005 0.000 2.328 175 C HN 0.988 nan 8.230 nan 0.000 0.500 176 E N 0.709 120.927 120.200 0.030 0.000 2.175 176 E HA 0.192 4.540 4.350 -0.002 0.000 0.195 176 E C 0.294 176.915 176.600 0.034 0.000 0.934 176 E CA 0.238 56.651 56.400 0.021 0.000 0.870 176 E CB -0.213 29.499 29.700 0.019 0.000 0.838 176 E HN 0.690 nan 8.360 nan 0.000 0.474 177 M N 1.343 120.990 119.600 0.078 0.000 2.246 177 M HA -0.001 4.478 4.480 -0.002 0.000 0.327 177 M C 0.565 176.919 176.300 0.089 0.000 1.090 177 M CA 0.300 55.670 55.300 0.117 0.000 1.087 177 M CB 0.646 33.383 32.600 0.228 0.000 1.587 177 M HN -0.035 nan 8.290 nan 0.000 0.444 178 S N 1.805 117.559 115.700 0.089 0.000 2.606 178 S HA 0.401 4.870 4.470 -0.002 0.000 0.257 178 S C 1.156 175.813 174.600 0.095 0.000 1.327 178 S CA -0.128 58.109 58.200 0.063 0.000 0.984 178 S CB 0.427 63.661 63.200 0.056 0.000 0.941 178 S HN 0.750 nan 8.310 nan 0.000 0.576 179 L N 0.497 121.750 121.223 0.051 0.000 2.622 179 L HA 0.365 4.704 4.340 -0.002 0.000 0.233 179 L C 2.179 179.132 176.870 0.139 0.000 1.156 179 L CA 2.002 56.885 54.840 0.072 0.000 0.866 179 L CB -2.608 39.459 42.059 0.014 0.000 0.980 179 L HN 0.997 nan 8.230 nan 0.000 0.448 180 E N -1.459 118.818 120.200 0.129 0.000 2.357 180 E HA 0.431 4.779 4.350 -0.002 0.000 0.202 180 E C 2.343 179.023 176.600 0.134 0.000 0.855 180 E CA 1.172 57.640 56.400 0.114 0.000 1.048 180 E CB -0.529 29.208 29.700 0.062 0.000 1.037 180 E HN 0.950 nan 8.360 nan 0.000 0.499 181 A N -0.431 122.469 122.820 0.134 0.000 1.969 181 A HA 0.015 4.334 4.320 -0.002 0.000 0.218 181 A C 2.049 179.744 177.584 0.185 0.000 1.169 181 A CA 1.529 53.641 52.037 0.126 0.000 0.635 181 A CB -0.766 18.296 19.000 0.103 0.000 0.810 181 A HN 0.709 nan 8.150 nan 0.000 0.445 182 W N 0.249 121.575 121.300 0.043 0.000 2.476 182 W HA 0.020 4.678 4.660 -0.002 0.000 0.281 182 W C 2.252 178.857 176.519 0.143 0.000 1.230 182 W CA 2.290 59.667 57.345 0.054 0.000 1.287 182 W CB 0.162 29.610 29.460 -0.019 0.000 1.108 182 W HN 0.257 nan 8.180 nan 0.000 0.567 183 L N 0.065 121.483 121.223 0.325 0.000 2.240 183 L HA 0.287 4.626 4.340 -0.002 0.000 0.211 183 L C 2.155 179.055 176.870 0.050 0.000 1.106 183 L CA 2.135 57.081 54.840 0.177 0.000 0.793 183 L CB -2.003 40.191 42.059 0.226 0.000 0.927 183 L HN 0.210 nan 8.230 nan 0.000 0.446 184 A N -1.568 121.288 122.820 0.061 0.000 2.021 184 A HA -0.053 4.266 4.320 -0.002 0.000 0.216 184 A C 2.210 179.786 177.584 -0.013 0.000 1.163 184 A CA 1.175 53.223 52.037 0.020 0.000 0.676 184 A CB -0.234 18.785 19.000 0.032 0.000 0.818 184 A HN 0.659 nan 8.150 nan 0.000 0.453 185 Q N -0.345 119.456 119.800 0.002 0.000 2.364 185 Q HA 0.097 4.436 4.340 -0.002 0.000 0.209 185 Q C 0.860 176.763 176.000 -0.163 0.000 0.977 185 Q CA 1.168 56.960 55.803 -0.018 0.000 0.885 185 Q CB -0.356 28.428 28.738 0.076 0.000 0.941 185 Q HN 1.072 nan 8.270 nan 0.000 0.464 186 G N 0.023 108.693 108.800 -0.217 0.000 2.754 186 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.215 186 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.215 186 G C -1.143 173.368 174.900 -0.649 0.000 1.121 186 G CA -0.202 44.690 45.100 -0.347 0.000 0.954 186 G HN 0.445 nan 8.290 nan 0.000 0.511 187 H N -0.368 118.427 119.070 -0.458 0.000 2.679 187 H HA 0.594 5.149 4.556 -0.002 0.000 0.360 187 H C -2.193 172.941 175.328 -0.324 0.000 1.105 187 H CA -1.536 54.147 56.048 -0.608 0.000 1.196 187 H CB 1.598 30.396 29.762 -1.607 0.000 1.636 187 H HN 0.212 nan 8.280 nan 0.000 0.531 188 P HA 0.089 nan 4.420 nan 0.000 0.270 188 P C -0.487 176.980 177.300 0.280 0.000 1.227 188 P CA -0.457 62.712 63.100 0.115 0.000 0.788 188 P CB 0.404 32.170 31.700 0.110 0.000 0.926 189 L N 2.085 123.443 121.223 0.226 0.000 2.433 189 L HA 0.318 4.656 4.340 -0.002 0.000 0.275 189 L C -1.496 175.504 176.870 0.217 0.000 1.128 189 L CA -1.376 53.612 54.840 0.247 0.000 0.875 189 L CB -1.758 40.395 42.059 0.157 0.000 1.171 189 L HN 0.392 nan 8.230 nan 0.000 0.463 190 P HA 0.437 nan 4.420 nan 0.000 0.270 190 P C 0.942 178.275 177.300 0.054 0.000 1.227 190 P CA 0.513 63.657 63.100 0.074 0.000 0.788 190 P CB 0.417 32.056 31.700 -0.101 0.000 0.926 191 K N -1.029 119.389 120.400 0.030 0.000 2.374 191 K HA 0.413 4.732 4.320 -0.002 0.000 0.196 191 K C 1.061 177.672 176.600 0.020 0.000 1.023 191 K CA 1.051 57.357 56.287 0.033 0.000 1.103 191 K CB -0.317 32.202 32.500 0.030 0.000 0.848 191 K HN 0.717 nan 8.250 nan 0.000 0.528 192 R N -0.449 120.046 120.500 -0.008 0.000 2.533 192 R HA 0.808 5.147 4.340 -0.002 0.000 0.288 192 R C -0.747 175.534 176.300 -0.031 0.000 1.039 192 R CA 0.020 56.113 56.100 -0.012 0.000 0.909 192 R CB 0.116 30.394 30.300 -0.037 0.000 1.195 192 R HN 0.939 nan 8.270 nan 0.000 0.438 193 V N -0.437 119.491 119.914 0.024 0.000 2.735 193 V HA 1.004 5.123 4.120 -0.002 0.000 0.310 193 V C 0.151 176.285 176.094 0.067 0.000 1.061 193 V CA -0.738 61.579 62.300 0.027 0.000 0.913 193 V CB 1.755 33.616 31.823 0.063 0.000 1.005 193 V HN 1.483 nan 8.190 nan 0.000 0.428 194 R N 2.466 122.972 120.500 0.011 0.000 2.409 194 R HA 0.779 5.118 4.340 -0.002 0.000 0.313 194 R C 0.162 176.457 176.300 -0.007 0.000 0.953 194 R CA 0.004 56.096 56.100 -0.012 0.000 0.849 194 R CB 0.009 30.266 30.300 -0.073 0.000 1.171 194 R HN 2.340 nan 8.270 nan 0.000 0.458 195 N N 0.627 119.335 118.700 0.014 0.000 2.357 195 N HA 0.358 5.097 4.740 -0.002 0.000 0.257 195 N C 1.304 176.721 175.510 -0.156 0.000 1.250 195 N CA 0.358 53.341 53.050 -0.111 0.000 0.862 195 N CB 0.974 39.278 38.487 -0.305 0.000 1.066 195 N HN 1.427 nan 8.380 nan 0.000 0.468 196 A N 0.618 123.388 122.820 -0.083 0.000 2.218 196 A HA 0.180 4.499 4.320 -0.002 0.000 0.209 196 A C 1.564 179.188 177.584 0.067 0.000 1.168 196 A CA 1.146 53.179 52.037 -0.007 0.000 0.804 196 A CB -0.476 18.541 19.000 0.029 0.000 0.834 196 A HN 1.077 nan 8.150 nan 0.000 0.482 197 Y N -1.639 118.707 120.300 0.076 0.000 2.490 197 Y HA 0.372 4.921 4.550 -0.002 0.000 0.285 197 Y C 0.983 176.933 175.900 0.083 0.000 1.117 197 Y CA 0.125 58.277 58.100 0.087 0.000 1.262 197 Y CB -0.280 38.257 38.460 0.128 0.000 1.043 197 Y HN 0.301 nan 8.280 nan 0.000 0.553 198 D N 0.052 120.361 120.400 -0.152 0.000 2.947 198 D HA 0.583 5.222 4.640 -0.002 0.000 0.211 198 D C 1.129 177.372 176.300 -0.095 0.000 1.326 198 D CA 0.536 54.483 54.000 -0.089 0.000 1.095 198 D CB 0.541 41.232 40.800 -0.182 0.000 1.206 198 D HN -0.077 nan 8.370 nan 0.000 0.619 199 R N -1.561 118.873 120.500 -0.110 0.000 2.471 199 R HA 0.504 4.843 4.340 -0.002 0.000 0.326 199 R C 0.693 176.906 176.300 -0.145 0.000 0.875 199 R CA 0.731 56.771 56.100 -0.100 0.000 1.102 199 R CB -1.385 28.877 30.300 -0.063 0.000 1.749 199 R HN 0.558 nan 8.270 nan 0.000 0.487 200 R N 0.953 121.331 120.500 -0.203 0.000 2.594 200 R HA 0.623 4.962 4.340 -0.002 0.000 0.272 200 R C 0.759 176.795 176.300 -0.439 0.000 1.074 200 R CA 0.581 56.483 56.100 -0.330 0.000 1.105 200 R CB -0.192 29.864 30.300 -0.407 0.000 1.008 200 R HN 0.956 nan 8.270 nan 0.000 0.472 201 T N -2.042 112.215 114.554 -0.495 0.000 2.949 201 T HA 0.813 5.162 4.350 -0.002 0.000 0.287 201 T C -0.591 173.723 174.700 -0.643 0.000 1.034 201 T CA -0.742 61.105 62.100 -0.421 0.000 1.018 201 T CB 1.152 69.901 68.868 -0.198 0.000 1.135 201 T HN 0.714 nan 8.240 nan 0.000 0.532 202 W N -1.705 119.564 121.300 -0.052 0.000 3.017 202 W HA 0.618 5.277 4.660 -0.002 0.000 0.341 202 W C -0.038 176.466 176.519 -0.026 0.000 1.180 202 W CA -0.735 56.592 57.345 -0.030 0.000 1.097 202 W CB 0.744 30.192 29.460 -0.020 0.000 1.468 202 W HN 0.852 nan 8.180 nan 0.000 0.584 203 E N 0.575 120.931 120.200 0.261 0.000 2.261 203 E HA 0.541 4.889 4.350 -0.002 0.000 0.239 203 E C -0.067 176.615 176.600 0.136 0.000 0.991 203 E CA -0.516 55.968 56.400 0.141 0.000 0.847 203 E CB -0.400 29.357 29.700 0.095 0.000 1.223 203 E HN 0.926 nan 8.360 nan 0.000 0.446 204 L N 2.858 124.153 121.223 0.121 0.000 2.810 204 L HA 0.230 4.569 4.340 -0.002 0.000 0.279 204 L C 1.458 178.386 176.870 0.097 0.000 1.144 204 L CA 0.818 55.715 54.840 0.096 0.000 0.998 204 L CB -1.339 40.763 42.059 0.071 0.000 1.342 204 L HN 0.812 nan 8.230 nan 0.000 0.473 205 L N 2.210 123.502 121.223 0.115 0.000 2.145 205 L HA 0.237 4.576 4.340 -0.002 0.000 0.201 205 L C 1.601 178.542 176.870 0.118 0.000 1.075 205 L CA 1.253 56.160 54.840 0.111 0.000 0.773 205 L CB -0.200 41.928 42.059 0.115 0.000 0.936 205 L HN 0.994 nan 8.230 nan 0.000 0.451 206 R N -1.605 118.990 120.500 0.160 0.000 2.835 206 R HA 0.477 4.816 4.340 -0.002 0.000 0.271 206 R C -1.446 174.955 176.300 0.168 0.000 1.013 206 R CA -0.990 55.206 56.100 0.160 0.000 0.876 206 R CB 1.104 31.507 30.300 0.171 0.000 1.348 206 R HN -0.194 nan 8.270 nan 0.000 0.453 207 L N 0.597 121.907 121.223 0.144 0.000 2.343 207 L HA 0.576 4.915 4.340 -0.002 0.000 0.275 207 L C 0.485 177.443 176.870 0.147 0.000 1.056 207 L CA -0.826 54.067 54.840 0.089 0.000 0.804 207 L CB 1.763 43.856 42.059 0.057 0.000 1.203 207 L HN 0.897 nan 8.230 nan 0.000 0.440 208 G N -0.003 108.792 108.800 -0.008 0.000 2.325 208 G HA2 0.420 4.379 3.960 -0.002 0.000 0.298 208 G HA3 0.420 4.379 3.960 -0.002 0.000 0.298 208 G C 0.245 175.183 174.900 0.064 0.000 1.134 208 G CA -0.158 44.955 45.100 0.022 0.000 0.876 208 G HN 0.780 nan 8.290 nan 0.000 0.452 209 E N 0.413 120.705 120.200 0.153 0.000 2.351 209 E HA 0.519 4.867 4.350 -0.002 0.000 0.236 209 E C 0.594 177.243 176.600 0.080 0.000 1.341 209 E CA 0.441 56.898 56.400 0.095 0.000 1.579 209 E CB -0.605 29.153 29.700 0.097 0.000 1.393 209 E HN 1.044 nan 8.360 nan 0.000 0.438 210 E N 0.158 120.386 120.200 0.047 0.000 2.359 210 E HA 0.561 4.910 4.350 -0.002 0.000 0.266 210 E C -1.011 175.580 176.600 -0.014 0.000 0.920 210 E CA -0.497 55.920 56.400 0.028 0.000 0.788 210 E CB 1.233 30.957 29.700 0.040 0.000 1.279 210 E HN 0.288 nan 8.360 nan 0.000 0.438 211 D N 0.807 121.202 120.400 -0.008 0.000 2.256 211 D HA 0.522 5.161 4.640 -0.002 0.000 0.250 211 D C -0.624 175.656 176.300 -0.032 0.000 1.093 211 D CA -0.599 53.391 54.000 -0.017 0.000 0.882 211 D CB 1.688 42.486 40.800 -0.003 0.000 1.185 211 D HN 0.333 nan 8.370 nan 0.000 0.437 212 P HA -0.207 nan 4.420 nan 0.000 0.213 212 P C 1.320 178.609 177.300 -0.019 0.000 1.170 212 P CA 3.099 66.173 63.100 -0.043 0.000 0.898 212 P CB -0.339 31.339 31.700 -0.037 0.000 0.787 213 K N -1.170 119.225 120.400 -0.008 0.000 2.097 213 K HA 0.068 4.386 4.320 -0.002 0.000 0.205 213 K C 2.003 178.605 176.600 0.004 0.000 1.050 213 K CA 2.337 58.625 56.287 0.002 0.000 0.938 213 K CB -1.567 30.934 32.500 0.003 0.000 0.718 213 K HN 0.558 nan 8.250 nan 0.000 0.442 214 E N -0.281 119.921 120.200 0.003 0.000 2.403 214 E HA 0.565 4.913 4.350 -0.002 0.000 0.188 214 E C 0.661 177.267 176.600 0.011 0.000 1.056 214 E CA 0.361 56.766 56.400 0.008 0.000 0.892 214 E CB -1.259 28.447 29.700 0.010 0.000 1.049 214 E HN 0.908 nan 8.360 nan 0.000 0.465 215 L N -0.261 120.963 121.223 0.003 0.000 2.305 215 L HA 0.863 5.202 4.340 -0.002 0.000 0.281 215 L C -1.284 175.595 176.870 0.015 0.000 1.085 215 L CA -1.335 53.507 54.840 0.003 0.000 0.813 215 L CB 0.729 42.767 42.059 -0.035 0.000 1.157 215 L HN 0.215 nan 8.230 nan 0.000 0.436 216 P HA 0.586 nan 4.420 nan 0.000 0.291 216 P C -0.451 176.871 177.300 0.037 0.000 1.340 216 P CA -0.239 62.883 63.100 0.036 0.000 0.799 216 P CB 0.767 32.492 31.700 0.042 0.000 0.917 217 L N 4.968 126.207 121.223 0.026 0.000 2.472 217 L HA 0.802 5.140 4.340 -0.002 0.000 0.256 217 L C -0.192 176.695 176.870 0.028 0.000 1.111 217 L CA -0.590 54.259 54.840 0.016 0.000 0.800 217 L CB 0.536 42.596 42.059 0.001 0.000 1.286 217 L HN 0.383 nan 8.230 nan 0.000 0.479 222 S N -0.443 115.286 115.700 0.049 0.000 2.499 222 S HA 0.851 5.320 4.470 -0.002 0.000 0.279 222 S C 1.521 176.156 174.600 0.058 0.000 1.219 222 S CA 0.428 58.653 58.200 0.041 0.000 1.062 222 S CB 0.542 63.759 63.200 0.029 0.000 0.978 222 S HN 2.598 nan 8.310 nan 0.000 0.489 223 L N 2.457 123.700 121.223 0.032 0.000 1.997 223 L HA -0.020 4.319 4.340 -0.002 0.000 0.216 223 L C 3.171 180.103 176.870 0.103 0.000 1.074 223 L CA 3.252 58.111 54.840 0.033 0.000 0.763 223 L CB -2.120 39.918 42.059 -0.034 0.000 0.890 223 L HN 1.390 nan 8.230 nan 0.000 0.434 224 L N -0.704 120.558 121.223 0.064 0.000 2.362 224 L HA 0.146 4.485 4.340 -0.002 0.000 0.219 224 L C 2.350 179.273 176.870 0.087 0.000 1.134 224 L CA 2.938 57.821 54.840 0.073 0.000 0.807 224 L CB -2.394 39.681 42.059 0.027 0.000 0.927 224 L HN 0.803 nan 8.230 nan 0.000 0.447 225 D N -2.572 117.874 120.400 0.076 0.000 2.271 225 D HA -0.119 4.520 4.640 -0.002 0.000 0.206 225 D C 1.943 178.270 176.300 0.045 0.000 0.967 225 D CA 0.815 54.844 54.000 0.047 0.000 0.867 225 D CB -0.498 40.319 40.800 0.027 0.000 0.960 225 D HN 0.785 nan 8.370 nan 0.000 0.509 226 Y N 0.574 120.834 120.300 -0.067 0.000 2.070 226 Y HA -0.232 4.317 4.550 -0.002 0.000 0.280 226 Y C 2.579 178.346 175.900 -0.221 0.000 1.148 226 Y CA 2.212 60.214 58.100 -0.163 0.000 1.125 226 Y CB -0.053 38.263 38.460 -0.241 0.000 0.975 226 Y HN 0.324 nan 8.280 nan 0.000 0.492 227 H N -0.415 118.804 119.070 0.248 0.000 2.521 227 H HA -0.006 4.548 4.556 -0.002 0.000 0.286 227 H C 2.112 177.410 175.328 -0.050 0.000 1.034 227 H CA 0.828 56.914 56.048 0.063 0.000 1.278 227 H CB -0.140 29.649 29.762 0.044 0.000 1.386 227 H HN 0.564 nan 8.280 nan 0.000 0.567 228 A N 0.927 123.783 122.820 0.059 0.000 1.874 228 A HA -0.042 4.277 4.320 -0.002 0.000 0.214 228 A C 2.796 180.348 177.584 -0.053 0.000 1.189 228 A CA 1.443 53.484 52.037 0.007 0.000 0.615 228 A CB -0.841 18.167 19.000 0.014 0.000 0.830 228 A HN 0.473 nan 8.150 nan 0.000 0.443 229 S N -0.094 115.546 115.700 -0.101 0.000 2.399 229 S HA -0.024 4.445 4.470 -0.002 0.000 0.231 229 S C 1.983 176.482 174.600 -0.169 0.000 1.022 229 S CA 2.290 60.408 58.200 -0.137 0.000 0.983 229 S CB -0.634 62.461 63.200 -0.176 0.000 0.803 229 S HN 0.773 nan 8.310 nan 0.000 0.480 230 K N 0.763 121.022 120.400 -0.234 0.000 2.551 230 K HA 0.473 4.791 4.320 -0.002 0.000 0.192 230 K C 1.536 178.059 176.600 -0.130 0.000 1.027 230 K CA 0.815 56.965 56.287 -0.228 0.000 1.059 230 K CB -1.634 30.659 32.500 -0.346 0.000 0.831 230 K HN 1.670 nan 8.250 nan 0.000 0.508 231 G N 0.688 109.436 108.800 -0.088 0.000 2.203 231 G HA2 -0.332 3.626 3.960 -0.002 0.000 0.263 231 G HA3 -0.332 3.626 3.960 -0.002 0.000 0.263 231 G C 1.135 176.019 174.900 -0.025 0.000 1.012 231 G CA 0.656 45.729 45.100 -0.045 0.000 0.749 231 G HN 0.631 nan 8.290 nan 0.000 0.512 232 R N -1.030 119.451 120.500 -0.033 0.000 2.210 232 R HA 0.325 4.664 4.340 -0.002 0.000 0.203 232 R C 2.518 178.840 176.300 0.036 0.000 1.010 232 R CA 1.084 57.185 56.100 0.001 0.000 1.008 232 R CB -0.077 30.188 30.300 -0.059 0.000 0.923 232 R HN 0.805 nan 8.270 nan 0.000 0.469 233 L N 0.959 122.199 121.223 0.028 0.000 2.805 233 L HA 0.385 4.723 4.340 -0.002 0.000 0.237 233 L C 0.651 177.532 176.870 0.019 0.000 1.252 233 L CA 0.331 55.189 54.840 0.029 0.000 1.064 233 L CB -1.235 40.843 42.059 0.033 0.000 1.361 233 L HN 0.223 nan 8.230 nan 0.000 0.474 234 Q N -1.056 118.755 119.800 0.018 0.000 2.282 234 Q HA 0.603 4.941 4.340 -0.002 0.000 0.260 234 Q C 1.232 177.243 176.000 0.019 0.000 0.964 234 Q CA 0.031 55.843 55.803 0.014 0.000 0.880 234 Q CB 1.189 29.933 28.738 0.008 0.000 1.286 234 Q HN 2.093 nan 8.270 nan 0.000 0.445 235 G N -1.188 107.621 108.800 0.015 0.000 2.162 235 G HA2 0.160 4.119 3.960 -0.002 0.000 0.260 235 G HA3 0.160 4.119 3.960 -0.002 0.000 0.260 235 G C 0.502 175.414 174.900 0.019 0.000 0.976 235 G CA 1.360 46.470 45.100 0.017 0.000 0.655 235 G HN 1.897 nan 8.290 nan 0.000 0.533 236 R N -1.796 118.716 120.500 0.020 0.000 2.962 236 R HA 1.068 5.406 4.340 -0.002 0.000 0.256 236 R C -0.210 176.099 176.300 0.015 0.000 1.199 236 R CA 1.111 57.223 56.100 0.020 0.000 1.012 236 R CB 0.342 30.658 30.300 0.027 0.000 1.289 236 R HN 1.953 nan 8.270 nan 0.000 0.462 237 E N -0.263 119.944 120.200 0.012 0.000 2.528 237 E HA 0.529 4.877 4.350 -0.002 0.000 0.277 237 E C 0.261 176.861 176.600 -0.000 0.000 0.980 237 E CA -0.462 55.942 56.400 0.007 0.000 0.796 237 E CB 0.891 30.595 29.700 0.007 0.000 1.427 237 E HN 1.820 nan 8.360 nan 0.000 0.394 238 G N 1.076 109.872 108.800 -0.007 0.000 2.225 238 G HA2 0.428 4.386 3.960 -0.002 0.000 0.245 238 G HA3 0.428 4.386 3.960 -0.002 0.000 0.245 238 G C 0.940 175.824 174.900 -0.026 0.000 1.249 238 G CA 0.618 45.702 45.100 -0.027 0.000 0.919 238 G HN 0.909 nan 8.290 nan 0.000 0.486 239 G N 1.537 110.318 108.800 -0.031 0.000 3.152 239 G HA2 0.580 4.539 3.960 -0.002 0.000 0.157 239 G HA3 0.580 4.539 3.960 -0.002 0.000 0.157 239 G C 0.860 175.735 174.900 -0.041 0.000 1.786 239 G CA 0.503 45.588 45.100 -0.025 0.000 1.055 239 G HN 0.972 nan 8.290 nan 0.000 0.528 240 R N -1.635 118.839 120.500 -0.043 0.000 2.517 240 R HA 0.770 5.109 4.340 -0.002 0.000 0.250 240 R C 0.710 176.946 176.300 -0.107 0.000 1.213 240 R CA 0.053 56.117 56.100 -0.060 0.000 1.146 240 R CB -0.946 29.330 30.300 -0.040 0.000 1.279 240 R HN 1.491 nan 8.270 nan 0.000 0.597 241 V N -1.911 117.916 119.914 -0.144 0.000 3.385 241 V HA 0.755 4.873 4.120 -0.002 0.000 0.301 241 V C 0.723 176.658 176.094 -0.266 0.000 1.082 241 V CA -0.236 61.910 62.300 -0.257 0.000 1.085 241 V CB 0.951 32.569 31.823 -0.342 0.000 1.152 241 V HN 1.875 nan 8.190 nan 0.000 0.465 242 A N 1.003 123.579 122.820 -0.407 0.000 2.518 242 A HA 0.540 4.859 4.320 -0.002 0.000 0.295 242 A C -1.488 175.876 177.584 -0.366 0.000 1.052 242 A CA -0.350 51.514 52.037 -0.289 0.000 0.824 242 A CB 0.304 19.204 19.000 -0.167 0.000 1.325 242 A HN 0.966 nan 8.150 nan 0.000 0.394 243 W N 3.090 124.349 121.300 -0.069 0.000 2.247 243 W HA 0.487 5.146 4.660 -0.002 0.000 0.394 243 W C 0.753 177.219 176.519 -0.088 0.000 0.939 243 W CA 0.179 57.475 57.345 -0.082 0.000 1.548 243 W CB 0.831 30.263 29.460 -0.046 0.000 1.610 243 W HN 0.888 nan 8.180 nan 0.000 0.336 244 V N 2.572 122.490 119.914 0.006 0.000 3.441 244 V HA 0.746 4.865 4.120 -0.002 0.000 0.300 244 V C 0.437 176.585 176.094 0.089 0.000 1.091 244 V CA -0.444 61.843 62.300 -0.023 0.000 1.099 244 V CB 0.718 32.320 31.823 -0.368 0.000 1.138 244 V HN 0.463 nan 8.190 nan 0.000 0.471 245 A N 0.942 123.887 122.820 0.209 0.000 2.539 245 A HA 0.632 4.950 4.320 -0.002 0.000 0.296 245 A C -0.481 177.319 177.584 0.360 0.000 1.073 245 A CA -0.251 51.923 52.037 0.227 0.000 0.700 245 A CB 1.315 20.401 19.000 0.144 0.000 1.296 245 A HN 1.003 nan 8.150 nan 0.000 0.405 253 P HA 0.795 nan 4.420 nan 0.000 0.272 253 P C -0.139 177.273 177.300 0.187 0.000 1.254 253 P CA 0.182 63.319 63.100 0.062 0.000 0.795 253 P CB 0.668 32.241 31.700 -0.211 0.000 1.022 254 I N -3.546 117.240 120.570 0.359 0.000 2.702 254 I HA 0.621 4.790 4.170 -0.002 0.000 0.287 254 I C -2.662 173.464 176.117 0.015 0.000 1.342 254 I CA -1.703 59.706 61.300 0.182 0.000 1.063 254 I CB 0.730 38.684 38.000 -0.078 0.000 1.331 254 I HN 0.536 nan 8.210 nan 0.000 0.427 255 P HA 0.653 nan 4.420 nan 0.000 0.268 255 P C -0.264 176.779 177.300 -0.428 0.000 1.208 255 P CA 1.746 64.473 63.100 -0.622 0.000 0.777 255 P CB 0.248 31.616 31.700 -0.553 0.000 0.875 259 G N 0.574 109.350 108.800 -0.040 0.000 2.887 259 G HA2 0.456 4.415 3.960 -0.002 0.000 0.211 259 G HA3 0.456 4.415 3.960 -0.002 0.000 0.211 259 G C 1.467 176.361 174.900 -0.009 0.000 1.152 259 G CA 0.747 45.839 45.100 -0.014 0.000 0.769 259 G HN 0.965 nan 8.290 nan 0.000 0.541 260 L N -0.314 120.890 121.223 -0.032 0.000 2.408 260 L HA 0.780 5.118 4.340 -0.002 0.000 0.215 260 L C 1.682 178.555 176.870 0.006 0.000 1.081 260 L CA 0.940 55.785 54.840 0.009 0.000 0.840 260 L CB -1.370 40.680 42.059 -0.016 0.000 1.002 260 L HN 0.412 nan 8.230 nan 0.000 0.468 261 L N -0.706 120.499 121.223 -0.029 0.000 2.436 261 L HA 0.871 5.209 4.340 -0.002 0.000 0.265 261 L C 0.318 177.176 176.870 -0.021 0.000 1.168 261 L CA -0.008 54.819 54.840 -0.022 0.000 0.815 261 L CB -0.206 41.833 42.059 -0.034 0.000 1.109 261 L HN 1.273 nan 8.230 nan 0.000 0.462 262 V N 1.143 121.038 119.914 -0.032 0.000 2.914 262 V HA 0.943 5.062 4.120 -0.002 0.000 0.314 262 V C -2.122 173.904 176.094 -0.114 0.000 1.084 262 V CA -1.536 60.723 62.300 -0.067 0.000 0.963 262 V CB 1.977 33.762 31.823 -0.064 0.000 1.025 262 V HN 1.139 nan 8.190 nan 0.000 0.432 263 P HA 0.787 nan 4.420 nan 0.000 0.284 263 P C -0.603 176.528 177.300 -0.281 0.000 1.258 263 P CA 0.456 63.361 63.100 -0.324 0.000 0.824 263 P CB 1.488 32.776 31.700 -0.686 0.000 1.038 264 V N 1.554 121.327 119.914 -0.236 0.000 2.275 264 V HA 0.648 4.767 4.120 -0.002 0.000 0.272 264 V C 0.554 176.533 176.094 -0.192 0.000 1.028 264 V CA -0.803 61.389 62.300 -0.180 0.000 0.810 264 V CB 0.312 32.066 31.823 -0.116 0.000 1.043 264 V HN 0.833 nan 8.190 nan 0.000 0.453 265 L N 3.641 124.738 121.223 -0.211 0.000 2.416 265 L HA 0.961 5.300 4.340 -0.002 0.000 0.272 265 L C 0.828 177.629 176.870 -0.115 0.000 1.161 265 L CA 0.936 55.667 54.840 -0.183 0.000 0.845 265 L CB -0.174 41.785 42.059 -0.167 0.000 1.119 265 L HN 1.463 nan 8.230 nan 0.000 0.464 266 T N 0.540 115.039 114.554 -0.092 0.000 3.579 266 T HA 0.544 4.892 4.350 -0.002 0.000 0.182 266 T C 1.859 176.520 174.700 -0.065 0.000 0.819 266 T CA 1.563 63.620 62.100 -0.071 0.000 0.959 266 T CB -0.865 67.972 68.868 -0.052 0.000 1.037 266 T HN 1.838 nan 8.240 nan 0.000 0.303 267 L N 1.928 123.128 121.223 -0.039 0.000 2.141 267 L HA 0.614 4.953 4.340 -0.002 0.000 0.209 267 L C 1.844 178.694 176.870 -0.034 0.000 1.094 267 L CA 2.370 57.194 54.840 -0.027 0.000 0.763 267 L CB -2.249 39.812 42.059 0.004 0.000 0.908 267 L HN 0.996 nan 8.230 nan 0.000 0.437 268 E N -0.368 119.823 120.200 -0.015 0.000 2.405 268 E HA 0.482 4.831 4.350 -0.002 0.000 0.253 268 E C 0.625 177.133 176.600 -0.153 0.000 1.257 268 E CA 1.133 57.544 56.400 0.018 0.000 0.960 268 E CB -0.815 29.007 29.700 0.205 0.000 1.077 268 E HN 2.355 nan 8.360 nan 0.000 0.512 280 S N 1.046 116.759 115.700 0.021 0.000 2.580 280 S HA 1.042 5.511 4.470 -0.002 0.000 0.274 280 S C 0.561 175.236 174.600 0.124 0.000 1.329 280 S CA 0.202 58.455 58.200 0.088 0.000 1.036 280 S CB 0.754 64.002 63.200 0.081 0.000 0.919 280 S HN 2.572 nan 8.310 nan 0.000 0.515 281 L N 2.148 123.470 121.223 0.165 0.000 2.360 281 L HA 0.807 5.146 4.340 -0.002 0.000 0.276 281 L C -0.798 176.154 176.870 0.137 0.000 1.121 281 L CA -1.067 53.862 54.840 0.148 0.000 0.845 281 L CB -0.620 41.511 42.059 0.121 0.000 1.143 281 L HN 0.893 nan 8.230 nan 0.000 0.452 282 P HA 0.064 nan 4.420 nan 0.000 0.265 282 P C 0.845 178.249 177.300 0.173 0.000 1.187 282 P CA 0.942 64.136 63.100 0.157 0.000 0.766 282 P CB 0.021 31.798 31.700 0.128 0.000 0.820 283 W N 3.260 124.618 121.300 0.096 0.000 2.290 283 W HA -0.276 4.383 4.660 -0.002 0.000 0.328 283 W C 2.089 178.683 176.519 0.126 0.000 1.272 283 W CA 3.927 61.352 57.345 0.135 0.000 1.262 283 W CB -0.792 28.742 29.460 0.124 0.000 1.151 283 W HN 0.498 nan 8.180 nan 0.000 0.473 284 E N 0.480 120.082 120.200 -0.997 0.000 2.158 284 E HA -0.155 4.193 4.350 -0.002 0.000 0.191 284 E C 1.791 178.040 176.600 -0.586 0.000 0.982 284 E CA 1.391 56.970 56.400 -1.367 0.000 0.823 284 E CB -1.030 27.784 29.700 -1.477 0.000 0.766 284 E HN 0.688 nan 8.360 nan 0.000 0.468 285 E N -0.685 119.332 120.200 -0.306 0.000 2.511 285 E HA -0.052 4.296 4.350 -0.002 0.000 0.196 285 E C 2.066 178.580 176.600 -0.143 0.000 1.066 285 E CA 0.491 56.790 56.400 -0.168 0.000 0.871 285 E CB -0.001 29.665 29.700 -0.058 0.000 0.863 285 E HN 0.473 nan 8.360 nan 0.000 0.520 286 R N 0.439 120.834 120.500 -0.174 0.000 2.105 286 R HA -0.005 4.333 4.340 -0.002 0.000 0.214 286 R C 2.314 178.460 176.300 -0.256 0.000 1.091 286 R CA 0.710 56.742 56.100 -0.114 0.000 1.007 286 R CB -0.036 30.291 30.300 0.045 0.000 0.912 286 R HN 0.064 nan 8.270 nan 0.000 0.450 287 R N -0.018 120.145 120.500 -0.561 0.000 2.189 287 R HA -0.076 4.263 4.340 -0.002 0.000 0.223 287 R C 2.098 178.151 176.300 -0.412 0.000 1.092 287 R CA 1.169 56.748 56.100 -0.870 0.000 0.989 287 R CB -0.409 29.099 30.300 -1.322 0.000 0.876 287 R HN 0.147 nan 8.270 nan 0.000 0.457 288 R N 0.749 121.065 120.500 -0.307 0.000 2.057 288 R HA 0.022 4.361 4.340 -0.002 0.000 0.229 288 R C 2.082 178.292 176.300 -0.150 0.000 1.136 288 R CA 1.116 57.099 56.100 -0.196 0.000 0.952 288 R CB 0.074 30.273 30.300 -0.167 0.000 0.848 288 R HN 0.116 nan 8.270 nan 0.000 0.430 289 R N -0.183 120.233 120.500 -0.141 0.000 2.189 289 R HA -0.037 4.302 4.340 -0.002 0.000 0.223 289 R C 1.972 178.201 176.300 -0.118 0.000 1.092 289 R CA 1.309 57.335 56.100 -0.122 0.000 0.989 289 R CB -0.791 29.441 30.300 -0.114 0.000 0.876 289 R HN 0.304 nan 8.270 nan 0.000 0.457 290 T N 1.718 116.211 114.554 -0.101 0.000 2.777 290 T HA -0.103 4.246 4.350 -0.002 0.000 0.266 290 T C 1.856 176.516 174.700 -0.066 0.000 1.040 290 T CA 1.569 63.654 62.100 -0.025 0.000 1.141 290 T CB -0.034 68.878 68.868 0.073 0.000 0.868 290 T HN 0.460 nan 8.240 nan 0.000 0.444 291 R N 1.575 122.032 120.500 -0.071 0.000 2.093 291 R HA 0.112 4.450 4.340 -0.002 0.000 0.224 291 R C 2.050 178.219 176.300 -0.220 0.000 1.101 291 R CA 1.091 57.097 56.100 -0.157 0.000 0.979 291 R CB -0.384 29.895 30.300 -0.035 0.000 0.877 291 R HN 0.383 nan 8.270 nan 0.000 0.441 292 E N 1.274 121.389 120.200 -0.143 0.000 2.051 292 E HA -0.134 4.215 4.350 -0.002 0.000 0.192 292 E C 2.022 178.569 176.600 -0.087 0.000 0.991 292 E CA 1.133 57.471 56.400 -0.104 0.000 0.799 292 E CB -0.063 29.579 29.700 -0.096 0.000 0.748 292 E HN 0.250 nan 8.360 nan 0.000 0.449 293 I N 1.217 121.708 120.570 -0.131 0.000 2.361 293 I HA -0.228 3.941 4.170 -0.002 0.000 0.251 293 I C 2.408 178.489 176.117 -0.061 0.000 1.133 293 I CA 1.061 62.304 61.300 -0.095 0.000 1.413 293 I CB -1.459 36.456 38.000 -0.142 0.000 1.073 293 I HN 0.035 nan 8.210 nan 0.000 0.424 294 A N 0.521 123.173 122.820 -0.280 0.000 1.855 294 A HA -0.146 4.173 4.320 -0.002 0.000 0.215 294 A C 2.576 180.003 177.584 -0.261 0.000 1.191 294 A CA 1.889 53.653 52.037 -0.456 0.000 0.613 294 A CB -0.876 17.388 19.000 -1.227 0.000 0.829 294 A HN 0.388 nan 8.150 nan 0.000 0.442 295 S N -1.661 113.914 115.700 -0.208 0.000 2.387 295 S HA -0.237 4.232 4.470 -0.002 0.000 0.230 295 S C 1.523 176.107 174.600 -0.027 0.000 1.035 295 S CA 1.623 59.761 58.200 -0.102 0.000 1.014 295 S CB -0.472 62.690 63.200 -0.063 0.000 0.836 295 S HN 0.776 nan 8.310 nan 0.000 0.466 296 W N 2.004 123.209 121.300 -0.159 0.000 2.409 296 W HA -0.013 4.646 4.660 -0.002 0.000 0.299 296 W C 2.415 178.861 176.519 -0.121 0.000 1.203 296 W CA 1.392 58.663 57.345 -0.122 0.000 1.298 296 W CB -0.428 28.965 29.460 -0.113 0.000 1.127 296 W HN 0.192 nan 8.180 nan 0.000 0.528 297 I N 0.343 120.938 120.570 0.042 0.000 2.761 297 I HA 0.209 4.377 4.170 -0.002 0.000 0.261 297 I C 2.032 178.019 176.117 -0.216 0.000 1.198 297 I CA 2.047 63.274 61.300 -0.122 0.000 1.482 297 I CB -1.668 36.343 38.000 0.019 0.000 1.100 297 I HN 0.225 nan 8.210 nan 0.000 0.445 298 G N -1.046 107.642 108.800 -0.185 0.000 2.595 298 G HA2 -0.011 3.947 3.960 -0.002 0.000 0.213 298 G HA3 -0.011 3.947 3.960 -0.002 0.000 0.213 298 G C 1.848 176.641 174.900 -0.178 0.000 1.141 298 G CA 0.565 45.565 45.100 -0.167 0.000 0.806 298 G HN 0.467 nan 8.290 nan 0.000 0.530 299 R N 0.891 121.266 120.500 -0.209 0.000 2.075 299 R HA 0.125 4.463 4.340 -0.002 0.000 0.226 299 R C 2.211 178.351 176.300 -0.267 0.000 1.114 299 R CA 0.526 56.505 56.100 -0.203 0.000 0.972 299 R CB -0.250 29.944 30.300 -0.177 0.000 0.869 299 R HN 0.219 nan 8.270 nan 0.000 0.437 300 R N -0.200 120.046 120.500 -0.423 0.000 2.276 300 R HA 0.057 4.396 4.340 -0.002 0.000 0.196 300 R C 1.112 177.210 176.300 -0.337 0.000 0.961 300 R CA 0.221 56.046 56.100 -0.459 0.000 1.024 300 R CB 0.218 30.029 30.300 -0.816 0.000 0.940 300 R HN 0.070 nan 8.270 nan 0.000 0.480 301 L N -0.480 120.567 121.223 -0.293 0.000 2.693 301 L HA 0.319 4.658 4.340 -0.002 0.000 0.235 301 L C 0.417 177.185 176.870 -0.169 0.000 1.127 301 L CA 0.391 55.099 54.840 -0.221 0.000 0.914 301 L CB 0.575 42.500 42.059 -0.224 0.000 1.193 301 L HN 0.277 nan 8.230 nan 0.000 0.502 302 G N 0.776 109.482 108.800 -0.156 0.000 2.367 302 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.295 302 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.295 302 G C 0.519 175.364 174.900 -0.092 0.000 1.019 302 G CA 0.640 45.673 45.100 -0.111 0.000 1.224 302 G HN 0.359 nan 8.290 nan 0.000 0.510 303 L N -0.187 120.979 121.223 -0.095 0.000 3.016 303 L HA 0.494 4.833 4.340 -0.002 0.000 0.267 303 L C 1.461 178.316 176.870 -0.024 0.000 1.182 303 L CA 0.189 54.997 54.840 -0.053 0.000 0.997 303 L CB 0.069 42.065 42.059 -0.104 0.000 1.354 303 L HN 1.333 nan 8.230 nan 0.000 0.569 304 G N 0.323 109.096 108.800 -0.045 0.000 2.702 304 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.586 304 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.586 304 G C -0.301 174.575 174.900 -0.040 0.000 1.321 304 G CA -0.709 44.371 45.100 -0.033 0.000 0.870 304 G HN -0.073 nan 8.290 nan 0.000 0.529 305 T N 3.385 117.923 114.554 -0.028 0.000 2.752 305 T HA 0.497 4.846 4.350 -0.002 0.000 0.295 305 T C -1.911 172.784 174.700 -0.008 0.000 0.923 305 T CA -0.056 62.028 62.100 -0.026 0.000 1.112 305 T CB 0.935 69.794 68.868 -0.016 0.000 0.884 305 T HN 0.537 nan 8.240 nan 0.000 0.525 306 P HA 0.324 nan 4.420 nan 0.000 0.266 306 P C -0.254 177.120 177.300 0.124 0.000 1.215 306 P CA 0.086 63.207 63.100 0.036 0.000 0.763 306 P CB 0.218 31.848 31.700 -0.116 0.000 0.806 307 E N 2.612 122.896 120.200 0.139 0.000 2.103 307 E HA 0.528 4.877 4.350 -0.002 0.000 0.254 307 E C 0.325 176.967 176.600 0.070 0.000 0.940 307 E CA -0.855 55.600 56.400 0.092 0.000 0.771 307 E CB 0.345 30.072 29.700 0.045 0.000 1.153 307 E HN 0.644 nan 8.360 nan 0.000 0.428 308 A N 1.763 124.600 122.820 0.029 0.000 2.580 308 A HA 0.341 4.659 4.320 -0.002 0.000 0.244 308 A C 0.829 178.258 177.584 -0.259 0.000 1.045 308 A CA 0.547 52.341 52.037 -0.406 0.000 0.761 308 A CB 0.049 18.671 19.000 -0.630 0.000 0.962 308 A HN 1.613 nan 8.150 nan 0.000 0.512 309 V N 3.644 123.395 119.914 -0.271 0.000 2.470 309 V HA 0.604 4.722 4.120 -0.002 0.000 0.276 309 V C 0.690 176.801 176.094 0.029 0.000 1.040 309 V CA 0.513 62.766 62.300 -0.078 0.000 1.008 309 V CB 0.167 31.959 31.823 -0.053 0.000 0.990 309 V HN 1.360 nan 8.190 nan 0.000 0.477 310 R N 4.450 125.012 120.500 0.104 0.000 2.596 310 R HA 0.957 5.295 4.340 -0.002 0.000 0.267 310 R C 0.007 176.345 176.300 0.062 0.000 1.026 310 R CA -0.247 55.951 56.100 0.164 0.000 1.087 310 R CB 1.548 31.962 30.300 0.191 0.000 1.132 310 R HN 2.192 nan 8.270 nan 0.000 0.531 311 A N 0.925 123.757 122.820 0.020 0.000 2.609 311 A HA 0.623 4.942 4.320 -0.002 0.000 0.291 311 A C -1.369 176.167 177.584 -0.080 0.000 1.096 311 A CA -0.654 51.372 52.037 -0.019 0.000 0.684 311 A CB 1.822 20.819 19.000 -0.006 0.000 1.282 311 A HN 0.968 nan 8.150 nan 0.000 0.412 312 Q N 1.033 120.767 119.800 -0.110 0.000 2.241 312 Q HA 0.748 5.087 4.340 -0.002 0.000 0.254 312 Q C -0.204 175.606 176.000 -0.317 0.000 0.917 312 Q CA 0.026 55.694 55.803 -0.225 0.000 0.919 312 Q CB 1.404 29.999 28.738 -0.239 0.000 1.237 312 Q HN 1.221 nan 8.270 nan 0.000 0.434 313 A N 2.739 125.314 122.820 -0.408 0.000 2.373 313 A HA 0.840 5.159 4.320 -0.002 0.000 0.291 313 A C -1.412 175.780 177.584 -0.653 0.000 1.171 313 A CA -0.728 51.097 52.037 -0.353 0.000 0.922 313 A CB 1.120 20.015 19.000 -0.175 0.000 1.400 313 A HN 0.705 nan 8.150 nan 0.000 0.474 314 Y N -0.836 119.435 120.300 -0.048 0.000 2.330 314 Y HA 0.469 5.018 4.550 -0.002 0.000 0.324 314 Y C 0.021 175.928 175.900 0.012 0.000 1.093 314 Y CA -0.596 57.513 58.100 0.015 0.000 1.103 314 Y CB 1.550 40.079 38.460 0.115 0.000 1.183 314 Y HN 0.801 nan 8.280 nan 0.000 0.433 315 R N 2.965 123.520 120.500 0.092 0.000 2.449 315 R HA 0.396 4.735 4.340 -0.002 0.000 0.296 315 R C -1.341 174.982 176.300 0.039 0.000 1.047 315 R CA 0.302 56.415 56.100 0.021 0.000 1.018 315 R CB 0.131 30.433 30.300 0.004 0.000 0.962 315 R HN 0.771 nan 8.270 nan 0.000 0.428 316 L N 2.789 123.971 121.223 -0.069 0.000 2.352 316 L HA 0.406 4.745 4.340 -0.002 0.000 0.269 316 L C 0.077 176.963 176.870 0.028 0.000 1.034 316 L CA -0.987 53.828 54.840 -0.041 0.000 0.806 316 L CB 1.989 43.925 42.059 -0.204 0.000 1.244 316 L HN 0.750 nan 8.230 nan 0.000 0.447 317 S N 1.708 117.533 115.700 0.208 0.000 2.552 317 S HA 0.202 4.671 4.470 -0.002 0.000 0.289 317 S C 0.053 174.828 174.600 0.292 0.000 1.304 317 S CA -0.369 58.000 58.200 0.282 0.000 1.063 317 S CB 0.000 63.459 63.200 0.431 0.000 0.848 317 S HN 0.259 nan 8.310 nan 0.000 0.499 318 I N 4.264 124.963 120.570 0.215 0.000 2.618 318 I HA 0.105 4.274 4.170 -0.002 0.000 0.284 318 I C -1.974 174.272 176.117 0.215 0.000 1.146 318 I CA -1.811 59.593 61.300 0.173 0.000 1.425 318 I CB 0.094 38.163 38.000 0.115 0.000 1.383 318 I HN 0.345 nan 8.210 nan 0.000 0.562 319 P HA 0.115 nan 4.420 nan 0.000 0.271 319 P C -0.448 176.926 177.300 0.124 0.000 1.216 319 P CA -0.182 62.994 63.100 0.127 0.000 0.771 319 P CB 0.413 31.949 31.700 -0.272 0.000 0.864 320 K N 1.683 122.186 120.400 0.171 0.000 2.363 320 K HA 0.537 4.856 4.320 -0.002 0.000 0.240 320 K C 0.249 176.886 176.600 0.062 0.000 1.169 320 K CA -0.332 56.011 56.287 0.093 0.000 1.131 320 K CB -0.944 31.607 32.500 0.083 0.000 1.771 320 K HN 0.616 nan 8.250 nan 0.000 0.380 321 L N 1.340 122.579 121.223 0.027 0.000 2.416 321 L HA 0.856 5.195 4.340 -0.002 0.000 0.272 321 L C 0.457 177.353 176.870 0.043 0.000 1.161 321 L CA -0.375 54.473 54.840 0.013 0.000 0.845 321 L CB 0.294 42.349 42.059 -0.005 0.000 1.119 321 L HN 0.875 nan 8.230 nan 0.000 0.464 322 M N 3.091 122.725 119.600 0.057 0.000 2.183 322 M HA 0.575 5.054 4.480 -0.002 0.000 0.277 322 M C 0.762 177.177 176.300 0.193 0.000 0.995 322 M CA -0.079 55.289 55.300 0.114 0.000 0.969 322 M CB 1.557 34.244 32.600 0.145 0.000 1.659 322 M HN 0.953 nan 8.290 nan 0.000 0.462 323 G N 2.540 111.423 108.800 0.138 0.000 2.937 323 G HA2 0.040 3.999 3.960 -0.002 0.000 0.160 323 G HA3 0.040 3.999 3.960 -0.002 0.000 0.160 323 G C 0.672 175.657 174.900 0.143 0.000 1.863 323 G CA 0.144 45.339 45.100 0.158 0.000 0.941 323 G HN 0.783 nan 8.290 nan 0.000 0.419 324 R N -0.526 119.986 120.500 0.021 0.000 2.127 324 R HA 0.143 4.482 4.340 -0.002 0.000 0.217 324 R C 0.593 176.880 176.300 -0.022 0.000 1.074 324 R CA 0.422 56.500 56.100 -0.037 0.000 0.991 324 R CB 0.098 30.354 30.300 -0.074 0.000 0.895 324 R HN 0.253 nan 8.270 nan 0.000 0.450 325 R N -0.381 120.114 120.500 -0.007 0.000 2.744 325 R HA 0.401 4.740 4.340 -0.002 0.000 0.279 325 R C -0.949 175.364 176.300 0.023 0.000 0.977 325 R CA -0.622 55.479 56.100 0.002 0.000 0.906 325 R CB 1.905 32.197 30.300 -0.014 0.000 1.197 325 R HN 0.113 nan 8.270 nan 0.000 0.463 326 A N 1.449 124.288 122.820 0.032 0.000 2.615 326 A HA 0.214 4.533 4.320 -0.002 0.000 0.230 326 A C 0.008 177.611 177.584 0.032 0.000 1.062 326 A CA 0.272 52.333 52.037 0.041 0.000 0.758 326 A CB 0.343 19.366 19.000 0.038 0.000 0.995 326 A HN 0.509 nan 8.150 nan 0.000 0.511 327 V N 1.199 121.137 119.914 0.039 0.000 3.147 327 V HA 0.511 4.630 4.120 -0.002 0.000 0.299 327 V C 0.764 176.891 176.094 0.056 0.000 1.302 327 V CA 0.262 62.583 62.300 0.036 0.000 1.015 327 V CB 1.946 33.782 31.823 0.022 0.000 1.086 327 V HN 1.647 nan 8.190 nan 0.000 0.437 328 S N 3.111 118.851 115.700 0.065 0.000 2.446 328 S HA 0.221 4.689 4.470 -0.002 0.000 0.225 328 S C 0.424 175.137 174.600 0.188 0.000 1.016 328 S CA 0.775 59.039 58.200 0.106 0.000 0.943 328 S CB -0.212 63.044 63.200 0.094 0.000 0.786 328 S HN 1.111 nan 8.310 nan 0.000 0.508 329 K N -0.471 120.001 120.400 0.120 0.000 2.562 329 K HA 0.403 4.721 4.320 -0.002 0.000 0.267 329 K C -3.255 173.329 176.600 -0.026 0.000 0.938 329 K CA -1.861 54.487 56.287 0.102 0.000 0.840 329 K CB 1.211 33.673 32.500 -0.063 0.000 1.390 329 K HN -0.281 nan 8.250 nan 0.000 0.428 330 P HA -0.276 nan 4.420 nan 0.000 0.217 330 P C 1.216 178.421 177.300 -0.158 0.000 1.148 330 P CA 2.355 65.422 63.100 -0.056 0.000 0.834 330 P CB 0.063 31.731 31.700 -0.053 0.000 0.783 331 A N -0.236 122.360 122.820 -0.372 0.000 1.933 331 A HA -0.204 4.115 4.320 -0.002 0.000 0.218 331 A C 1.891 179.327 177.584 -0.248 0.000 1.175 331 A CA 1.874 53.609 52.037 -0.504 0.000 0.628 331 A CB -1.278 16.907 19.000 -1.359 0.000 0.814 331 A HN 0.105 nan 8.150 nan 0.000 0.444 332 D N 0.070 120.366 120.400 -0.173 0.000 2.350 332 D HA 0.050 4.689 4.640 -0.002 0.000 0.216 332 D C 1.857 178.101 176.300 -0.094 0.000 0.968 332 D CA 0.998 54.946 54.000 -0.088 0.000 0.894 332 D CB -0.205 40.570 40.800 -0.042 0.000 0.909 332 D HN 0.463 nan 8.370 nan 0.000 0.520 333 A N 0.123 122.884 122.820 -0.099 0.000 2.172 333 A HA -0.035 4.284 4.320 -0.002 0.000 0.216 333 A C 2.142 179.538 177.584 -0.314 0.000 1.154 333 A CA 0.405 52.359 52.037 -0.140 0.000 0.701 333 A CB -0.423 18.568 19.000 -0.015 0.000 0.789 333 A HN 0.225 nan 8.150 nan 0.000 0.465 334 L N -0.556 120.550 121.223 -0.195 0.000 2.313 334 L HA -0.051 4.288 4.340 -0.002 0.000 0.214 334 L C 2.520 179.288 176.870 -0.170 0.000 1.119 334 L CA 0.809 55.538 54.840 -0.185 0.000 0.809 334 L CB -0.177 41.874 42.059 -0.013 0.000 0.933 334 L HN 0.458 nan 8.230 nan 0.000 0.449 335 R N -1.291 119.131 120.500 -0.130 0.000 2.365 335 R HA 0.149 4.488 4.340 -0.002 0.000 0.223 335 R C 1.315 177.548 176.300 -0.112 0.000 0.899 335 R CA 0.424 56.471 56.100 -0.088 0.000 1.059 335 R CB -0.130 30.149 30.300 -0.036 0.000 1.086 335 R HN 0.165 nan 8.270 nan 0.000 0.522 336 V N 0.173 119.992 119.914 -0.158 0.000 3.212 336 V HA 0.334 4.452 4.120 -0.002 0.000 0.244 336 V C 0.935 176.910 176.094 -0.198 0.000 1.151 336 V CA 0.989 63.206 62.300 -0.137 0.000 1.119 336 V CB 0.326 32.091 31.823 -0.096 0.000 0.838 336 V HN 0.670 nan 8.190 nan 0.000 0.470 337 G N -0.158 108.430 108.800 -0.353 0.000 2.406 337 G HA2 0.047 4.006 3.960 -0.002 0.000 0.680 337 G HA3 0.047 4.006 3.960 -0.002 0.000 0.680 337 G C -1.020 173.602 174.900 -0.464 0.000 1.338 337 G CA -0.942 43.875 45.100 -0.471 0.000 0.941 337 G HN 0.005 nan 8.290 nan 0.000 0.633 338 F N -0.464 119.414 119.950 -0.119 0.000 2.380 338 F HA 0.583 5.109 4.527 -0.002 0.000 0.321 338 F C 1.465 177.255 175.800 -0.016 0.000 1.103 338 F CA -0.376 57.578 58.000 -0.077 0.000 1.067 338 F CB 0.849 39.758 39.000 -0.152 0.000 1.265 338 F HN 0.604 nan 8.300 nan 0.000 0.517 339 Y N 1.212 121.594 120.300 0.136 0.000 2.263 339 Y HA 0.134 4.683 4.550 -0.002 0.000 0.292 339 Y C 1.353 177.273 175.900 0.034 0.000 1.130 339 Y CA 1.660 59.790 58.100 0.051 0.000 1.179 339 Y CB 0.147 38.629 38.460 0.035 0.000 0.998 339 Y HN 0.431 nan 8.280 nan 0.000 0.532 340 R N -0.071 120.523 120.500 0.156 0.000 3.033 340 R HA 0.711 5.050 4.340 -0.002 0.000 0.236 340 R C -1.016 175.316 176.300 0.054 0.000 1.774 340 R CA 0.022 56.152 56.100 0.050 0.000 1.401 340 R CB -0.777 29.583 30.300 0.100 0.000 1.539 340 R HN 0.440 nan 8.270 nan 0.000 0.618 341 A N 1.048 123.889 122.820 0.035 0.000 2.309 341 A HA 0.708 5.026 4.320 -0.002 0.000 0.290 341 A C 0.614 178.220 177.584 0.036 0.000 1.206 341 A CA 0.396 52.423 52.037 -0.017 0.000 0.850 341 A CB 0.332 19.287 19.000 -0.075 0.000 1.118 341 A HN 1.533 nan 8.150 nan 0.000 0.523 342 Q N 1.145 120.984 119.800 0.065 0.000 2.193 342 Q HA 0.661 5.000 4.340 -0.002 0.000 0.246 342 Q C 0.290 176.388 176.000 0.163 0.000 0.959 342 Q CA -0.142 55.714 55.803 0.088 0.000 0.904 342 Q CB -0.085 28.686 28.738 0.054 0.000 1.238 342 Q HN 1.791 nan 8.270 nan 0.000 0.469 343 E N 0.078 120.352 120.200 0.124 0.000 2.465 343 E HA 0.461 4.810 4.350 -0.002 0.000 0.260 343 E C 0.166 176.820 176.600 0.091 0.000 0.980 343 E CA 0.518 56.989 56.400 0.119 0.000 0.927 343 E CB 0.348 30.086 29.700 0.063 0.000 0.934 343 E HN 1.062 nan 8.360 nan 0.000 0.459 344 T N -0.609 113.980 114.554 0.059 0.000 2.885 344 T HA 0.679 5.027 4.350 -0.002 0.000 0.322 344 T C -1.629 173.013 174.700 -0.096 0.000 1.387 344 T CA 0.318 62.419 62.100 0.003 0.000 1.041 344 T CB 1.330 70.235 68.868 0.062 0.000 1.287 344 T HN 1.405 nan 8.240 nan 0.000 0.491 345 A N 3.456 126.248 122.820 -0.047 0.000 2.356 345 A HA 0.824 5.143 4.320 -0.002 0.000 0.310 345 A C -1.390 176.199 177.584 0.008 0.000 1.075 345 A CA -0.540 51.487 52.037 -0.016 0.000 0.746 345 A CB 0.910 19.977 19.000 0.110 0.000 1.221 345 A HN 0.649 nan 8.150 nan 0.000 0.443 346 L N 0.884 122.127 121.223 0.034 0.000 2.335 346 L HA 0.935 5.274 4.340 -0.002 0.000 0.268 346 L C 0.664 177.671 176.870 0.229 0.000 1.016 346 L CA -0.051 54.850 54.840 0.102 0.000 0.805 346 L CB 1.486 43.618 42.059 0.122 0.000 1.311 346 L HN 0.924 nan 8.230 nan 0.000 0.456 347 A N 0.338 123.306 122.820 0.247 0.000 2.479 347 A HA 0.848 5.167 4.320 -0.002 0.000 0.296 347 A C -1.833 175.849 177.584 0.164 0.000 1.121 347 A CA -0.448 51.741 52.037 0.253 0.000 0.743 347 A CB 1.571 20.609 19.000 0.063 0.000 1.323 347 A HN 0.505 nan 8.150 nan 0.000 0.415 348 L N 0.644 121.851 121.223 -0.028 0.000 2.365 348 L HA 0.822 5.160 4.340 -0.002 0.000 0.273 348 L C -1.525 175.168 176.870 -0.295 0.000 1.000 348 L CA -0.649 53.916 54.840 -0.459 0.000 0.819 348 L CB 1.668 43.069 42.059 -1.097 0.000 1.284 348 L HN 0.670 nan 8.230 nan 0.000 0.418 349 L N 5.010 126.069 121.223 -0.272 0.000 2.415 349 L HA 0.570 4.909 4.340 -0.002 0.000 0.268 349 L C -0.961 175.794 176.870 -0.192 0.000 0.984 349 L CA -0.225 54.511 54.840 -0.172 0.000 0.853 349 L CB 1.207 43.221 42.059 -0.075 0.000 1.215 349 L HN 0.603 nan 8.230 nan 0.000 0.419 350 R N 5.359 125.751 120.500 -0.179 0.000 2.207 350 R HA 0.435 4.774 4.340 -0.002 0.000 0.334 350 R C 0.296 176.531 176.300 -0.109 0.000 1.013 350 R CA -0.381 55.630 56.100 -0.148 0.000 0.858 350 R CB 1.052 31.270 30.300 -0.136 0.000 1.094 350 R HN 0.728 nan 8.270 nan 0.000 0.457 351 L N 2.304 123.454 121.223 -0.120 0.000 2.628 351 L HA 0.054 4.392 4.340 -0.002 0.000 0.229 351 L C 0.720 177.582 176.870 -0.013 0.000 1.137 351 L CA 0.004 54.775 54.840 -0.116 0.000 0.909 351 L CB -0.521 41.435 42.059 -0.173 0.000 1.137 351 L HN 0.657 nan 8.230 nan 0.000 0.470 352 D N -0.598 119.788 120.400 -0.023 0.000 2.481 352 D HA 0.128 4.766 4.640 -0.002 0.000 0.283 352 D C 1.243 177.548 176.300 0.008 0.000 1.192 352 D CA 0.175 54.171 54.000 -0.007 0.000 1.100 352 D CB 0.117 40.902 40.800 -0.024 0.000 1.166 352 D HN -0.110 nan 8.370 nan 0.000 0.584 353 G N -0.229 108.570 108.800 -0.002 0.000 2.499 353 G HA2 0.263 4.222 3.960 -0.002 0.000 0.213 353 G HA3 0.263 4.222 3.960 -0.002 0.000 0.213 353 G C 0.791 175.692 174.900 0.001 0.000 1.230 353 G CA 1.092 46.193 45.100 0.002 0.000 0.813 353 G HN 0.741 nan 8.290 nan 0.000 0.542 354 A N -0.745 122.070 122.820 -0.009 0.000 2.366 354 A HA 0.552 4.871 4.320 -0.002 0.000 0.250 354 A C 0.253 177.827 177.584 -0.016 0.000 1.099 354 A CA 0.064 52.096 52.037 -0.008 0.000 0.794 354 A CB 0.394 19.387 19.000 -0.011 0.000 1.056 354 A HN 0.481 nan 8.150 nan 0.000 0.499 355 Q N -0.560 119.239 119.800 -0.002 0.000 2.399 355 Q HA 0.530 4.868 4.340 -0.002 0.000 0.276 355 Q C -0.191 175.805 176.000 -0.007 0.000 1.098 355 Q CA -0.087 55.717 55.803 0.003 0.000 0.827 355 Q CB 1.896 30.680 28.738 0.076 0.000 1.386 355 Q HN 2.339 nan 8.270 nan 0.000 0.443 356 G N 1.332 110.115 108.800 -0.029 0.000 2.722 356 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.686 356 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.686 356 G C -1.219 173.668 174.900 -0.020 0.000 1.282 356 G CA -0.394 44.721 45.100 0.025 0.000 0.817 356 G HN 0.595 nan 8.290 nan 0.000 0.605 357 W N 1.729 122.972 121.300 -0.095 0.000 2.231 357 W HA 0.439 5.097 4.660 -0.002 0.000 0.341 357 W C -1.217 175.197 176.519 -0.175 0.000 1.298 357 W CA -0.356 56.902 57.345 -0.144 0.000 1.266 357 W CB -0.234 29.137 29.460 -0.147 0.000 1.172 357 W HN 0.559 nan 8.180 nan 0.000 0.568 358 P HA 0.109 nan 4.420 nan 0.000 0.269 358 P C 0.954 178.131 177.300 -0.206 0.000 1.209 358 P CA 0.527 63.508 63.100 -0.198 0.000 0.776 358 P CB 0.539 31.932 31.700 -0.512 0.000 0.876 359 E N 2.261 122.413 120.200 -0.080 0.000 2.070 359 E HA -0.244 4.105 4.350 -0.002 0.000 0.197 359 E C 1.547 178.111 176.600 -0.059 0.000 1.004 359 E CA 2.260 58.649 56.400 -0.019 0.000 0.805 359 E CB -1.680 28.059 29.700 0.064 0.000 0.744 359 E HN 0.681 nan 8.360 nan 0.000 0.451 360 F N 0.182 120.053 119.950 -0.132 0.000 2.163 360 F HA 0.249 4.775 4.527 -0.002 0.000 0.297 360 F C 2.811 178.457 175.800 -0.257 0.000 1.094 360 F CA 1.447 59.323 58.000 -0.206 0.000 1.290 360 F CB -0.966 37.839 39.000 -0.324 0.000 1.017 360 F HN 0.255 nan 8.300 nan 0.000 0.483 361 L N 0.963 121.591 121.223 -0.992 0.000 2.187 361 L HA -0.025 4.314 4.340 -0.002 0.000 0.213 361 L C 2.626 179.407 176.870 -0.148 0.000 1.100 361 L CA 2.515 57.042 54.840 -0.522 0.000 0.765 361 L CB -1.776 39.992 42.059 -0.486 0.000 0.904 361 L HN 0.535 nan 8.230 nan 0.000 0.437 362 R N -0.706 119.695 120.500 -0.166 0.000 2.066 362 R HA -0.024 4.314 4.340 -0.002 0.000 0.224 362 R C 2.865 179.107 176.300 -0.096 0.000 1.122 362 R CA 1.688 57.680 56.100 -0.180 0.000 0.974 362 R CB -0.330 29.857 30.300 -0.188 0.000 0.871 362 R HN 0.515 nan 8.270 nan 0.000 0.435 363 R N 0.628 121.106 120.500 -0.037 0.000 2.103 363 R HA -0.056 4.283 4.340 -0.002 0.000 0.242 363 R C 2.270 178.615 176.300 0.076 0.000 1.142 363 R CA 1.881 57.996 56.100 0.024 0.000 0.960 363 R CB -1.664 28.671 30.300 0.059 0.000 0.858 363 R HN 0.536 nan 8.270 nan 0.000 0.439 364 A N 0.374 123.271 122.820 0.128 0.000 1.969 364 A HA 0.116 4.434 4.320 -0.002 0.000 0.218 364 A C 2.464 180.172 177.584 0.207 0.000 1.169 364 A CA 1.370 53.550 52.037 0.239 0.000 0.635 364 A CB -0.189 19.091 19.000 0.467 0.000 0.810 364 A HN 0.469 nan 8.150 nan 0.000 0.445 365 L N -0.845 120.464 121.223 0.143 0.000 2.095 365 L HA -0.045 4.293 4.340 -0.002 0.000 0.204 365 L C 2.429 179.406 176.870 0.178 0.000 1.080 365 L CA 0.624 55.566 54.840 0.170 0.000 0.759 365 L CB -0.353 41.718 42.059 0.020 0.000 0.914 365 L HN 0.357 nan 8.230 nan 0.000 0.439 366 L N -0.329 120.930 121.223 0.059 0.000 2.093 366 L HA -0.217 4.122 4.340 -0.002 0.000 0.208 366 L C 3.341 180.274 176.870 0.104 0.000 1.085 366 L CA 1.321 56.193 54.840 0.053 0.000 0.755 366 L CB -0.997 41.050 42.059 -0.020 0.000 0.904 366 L HN 0.245 nan 8.230 nan 0.000 0.435 367 R N 0.671 121.224 120.500 0.089 0.000 2.082 367 R HA -0.112 4.227 4.340 -0.002 0.000 0.234 367 R C 2.413 178.742 176.300 0.048 0.000 1.136 367 R CA 1.813 57.952 56.100 0.064 0.000 0.935 367 R CB -1.726 28.612 30.300 0.063 0.000 0.842 367 R HN 0.452 nan 8.270 nan 0.000 0.430 368 A N -0.303 122.556 122.820 0.065 0.000 1.917 368 A HA -0.026 4.293 4.320 -0.002 0.000 0.219 368 A C 2.279 179.813 177.584 -0.082 0.000 1.182 368 A CA 1.652 53.642 52.037 -0.078 0.000 0.633 368 A CB -0.562 18.446 19.000 0.013 0.000 0.819 368 A HN 0.581 nan 8.150 nan 0.000 0.448 369 F N -0.057 119.929 119.950 0.059 0.000 2.615 369 F HA 0.132 4.657 4.527 -0.002 0.000 0.297 369 F C 2.419 178.235 175.800 0.027 0.000 1.124 369 F CA 0.537 58.593 58.000 0.094 0.000 1.451 369 F CB -0.355 38.703 39.000 0.097 0.000 1.103 369 F HN 0.278 nan 8.300 nan 0.000 0.569 370 G N -0.175 108.711 108.800 0.143 0.000 2.434 370 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.214 370 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.214 370 G C 1.966 176.870 174.900 0.007 0.000 1.202 370 G CA 0.827 45.966 45.100 0.065 0.000 0.788 370 G HN 0.384 nan 8.290 nan 0.000 0.539 371 A N 1.115 123.910 122.820 -0.041 0.000 1.873 371 A HA 0.008 4.326 4.320 -0.002 0.000 0.218 371 A C 2.904 180.425 177.584 -0.105 0.000 1.193 371 A CA 3.238 55.223 52.037 -0.088 0.000 0.629 371 A CB -1.292 17.623 19.000 -0.143 0.000 0.826 371 A HN 0.876 nan 8.150 nan 0.000 0.447 372 S N -2.126 113.478 115.700 -0.160 0.000 2.387 372 S HA 0.186 4.655 4.470 -0.002 0.000 0.230 372 S C 2.347 176.919 174.600 -0.047 0.000 1.035 372 S CA 2.499 60.618 58.200 -0.135 0.000 1.014 372 S CB -0.650 62.443 63.200 -0.178 0.000 0.836 372 S HN 2.165 nan 8.310 nan 0.000 0.466 373 G N -0.824 107.976 108.800 -0.001 0.000 2.254 373 G HA2 0.178 4.137 3.960 -0.002 0.000 0.225 373 G HA3 0.178 4.137 3.960 -0.002 0.000 0.225 373 G C 0.443 175.390 174.900 0.078 0.000 1.003 373 G CA 0.442 45.559 45.100 0.028 0.000 0.622 373 G HN 1.676 nan 8.290 nan 0.000 0.507 374 A N 0.278 123.174 122.820 0.127 0.000 2.371 374 A HA 0.755 5.073 4.320 -0.002 0.000 0.257 374 A C 0.718 178.495 177.584 0.323 0.000 1.089 374 A CA 1.122 53.289 52.037 0.217 0.000 0.794 374 A CB 0.901 20.059 19.000 0.264 0.000 1.029 374 A HN 1.560 nan 8.150 nan 0.000 0.488 375 S N 0.052 115.868 115.700 0.194 0.000 2.585 375 S HA 0.621 5.090 4.470 -0.002 0.000 0.277 375 S C -0.560 174.036 174.600 -0.006 0.000 1.241 375 S CA -0.460 57.798 58.200 0.097 0.000 1.041 375 S CB 0.327 63.547 63.200 0.034 0.000 0.987 375 S HN 1.490 nan 8.310 nan 0.000 0.512 376 L N 3.373 124.492 121.223 -0.174 0.000 2.409 376 L HA 0.789 5.128 4.340 -0.002 0.000 0.262 376 L C -1.177 175.526 176.870 -0.279 0.000 0.992 376 L CA -0.595 54.010 54.840 -0.391 0.000 0.817 376 L CB 1.987 43.457 42.059 -0.982 0.000 1.350 376 L HN 0.659 nan 8.230 nan 0.000 0.411 377 R N 4.180 124.540 120.500 -0.233 0.000 2.451 377 R HA 0.607 4.946 4.340 -0.002 0.000 0.307 377 R C -1.434 174.738 176.300 -0.214 0.000 0.965 377 R CA -0.920 55.051 56.100 -0.215 0.000 0.865 377 R CB 1.587 31.796 30.300 -0.151 0.000 1.174 377 R HN 0.461 nan 8.270 nan 0.000 0.455 378 L N 4.267 125.287 121.223 -0.339 0.000 2.331 378 L HA 0.307 4.646 4.340 -0.002 0.000 0.278 378 L C 0.837 177.601 176.870 -0.176 0.000 1.106 378 L CA 0.352 54.984 54.840 -0.346 0.000 0.824 378 L CB 0.130 41.657 42.059 -0.886 0.000 1.142 378 L HN 0.560 nan 8.230 nan 0.000 0.443 379 H N 1.601 120.738 119.070 0.112 0.000 2.713 379 H HA 0.600 5.155 4.556 -0.002 0.000 0.340 379 H C -0.585 174.899 175.328 0.259 0.000 1.271 379 H CA -0.537 55.596 56.048 0.140 0.000 1.306 379 H CB 2.287 32.091 29.762 0.070 0.000 1.839 379 H HN 0.426 nan 8.280 nan 0.000 0.627 380 T N 1.926 116.612 114.554 0.219 0.000 3.011 380 T HA 0.233 4.582 4.350 -0.002 0.000 0.303 380 T C -0.066 174.520 174.700 -0.190 0.000 0.997 380 T CA -0.710 61.374 62.100 -0.027 0.000 1.007 380 T CB 0.968 69.746 68.868 -0.150 0.000 1.017 380 T HN 0.235 nan 8.240 nan 0.000 0.443 381 L N 4.181 125.300 121.223 -0.174 0.000 2.369 381 L HA 0.258 4.597 4.340 -0.002 0.000 0.279 381 L C 0.692 177.448 176.870 -0.191 0.000 1.108 381 L CA -0.371 54.397 54.840 -0.120 0.000 0.852 381 L CB 0.196 42.228 42.059 -0.045 0.000 1.169 381 L HN 0.687 nan 8.230 nan 0.000 0.452 382 H N 3.791 122.900 119.070 0.065 0.000 2.638 382 H HA 0.449 5.004 4.556 -0.002 0.000 0.293 382 H C 0.103 175.493 175.328 0.103 0.000 1.316 382 H CA -0.056 56.034 56.048 0.069 0.000 1.099 382 H CB 0.325 30.119 29.762 0.053 0.000 1.515 382 H HN 0.688 nan 8.280 nan 0.000 0.505 383 A N 0.400 123.351 122.820 0.219 0.000 2.483 383 A HA 0.570 4.889 4.320 -0.002 0.000 0.286 383 A C -1.076 176.697 177.584 0.316 0.000 1.207 383 A CA -0.618 51.604 52.037 0.309 0.000 0.764 383 A CB 2.596 21.833 19.000 0.396 0.000 1.341 383 A HN 0.486 nan 8.150 nan 0.000 0.428 384 H N -0.730 118.418 119.070 0.130 0.000 2.974 384 H HA 0.331 4.886 4.556 -0.002 0.000 0.366 384 H C -2.445 172.477 175.328 -0.676 0.000 1.155 384 H CA -1.344 54.560 56.048 -0.240 0.000 1.186 384 H CB 2.572 32.258 29.762 -0.127 0.000 1.799 384 H HN 0.250 nan 8.280 nan 0.000 0.541 385 P HA -0.154 nan 4.420 nan 0.000 0.216 385 P C 1.313 178.463 177.300 -0.251 0.000 1.154 385 P CA 1.614 64.109 63.100 -1.008 0.000 0.865 385 P CB 0.280 31.568 31.700 -0.686 0.000 0.789 386 S N -0.836 114.909 115.700 0.074 0.000 2.469 386 S HA -0.175 4.294 4.470 -0.002 0.000 0.238 386 S C 1.761 176.373 174.600 0.020 0.000 0.998 386 S CA 0.919 59.144 58.200 0.042 0.000 0.957 386 S CB -0.756 62.441 63.200 -0.004 0.000 0.764 386 S HN 0.390 nan 8.310 nan 0.000 0.514 387 Q N 0.274 120.102 119.800 0.048 0.000 2.291 387 Q HA 0.101 4.440 4.340 -0.002 0.000 0.205 387 Q C 1.694 177.746 176.000 0.087 0.000 0.970 387 Q CA 0.601 56.448 55.803 0.074 0.000 0.876 387 Q CB -0.220 28.598 28.738 0.133 0.000 0.935 387 Q HN 0.594 nan 8.270 nan 0.000 0.455 388 G N 0.621 109.478 108.800 0.095 0.000 2.554 388 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.253 388 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.253 388 G C 0.431 175.425 174.900 0.156 0.000 1.172 388 G CA 0.085 45.246 45.100 0.102 0.000 0.950 388 G HN 0.236 nan 8.290 nan 0.000 0.557 389 L N 1.780 123.066 121.223 0.105 0.000 2.291 389 L HA 0.258 4.597 4.340 -0.002 0.000 0.214 389 L C 3.363 180.284 176.870 0.084 0.000 1.120 389 L CA 1.598 56.491 54.840 0.088 0.000 0.799 389 L CB -0.530 41.561 42.059 0.053 0.000 0.925 389 L HN 0.770 nan 8.230 nan 0.000 0.446 390 A N 0.035 122.915 122.820 0.100 0.000 1.978 390 A HA -0.269 4.050 4.320 -0.002 0.000 0.220 390 A C 2.148 179.808 177.584 0.126 0.000 1.170 390 A CA 1.520 53.614 52.037 0.093 0.000 0.636 390 A CB -0.722 18.335 19.000 0.095 0.000 0.810 390 A HN 0.432 nan 8.150 nan 0.000 0.448 391 F N 0.430 120.391 119.950 0.018 0.000 2.186 391 F HA -0.062 4.464 4.527 -0.002 0.000 0.299 391 F C 2.240 178.039 175.800 -0.002 0.000 1.090 391 F CA 1.663 59.670 58.000 0.012 0.000 1.307 391 F CB -0.254 38.753 39.000 0.012 0.000 1.019 391 F HN 0.214 nan 8.300 nan 0.000 0.489 392 R N 0.381 120.827 120.500 -0.090 0.000 2.115 392 R HA -0.190 4.149 4.340 -0.002 0.000 0.230 392 R C 2.247 178.433 176.300 -0.191 0.000 1.111 392 R CA 1.723 57.706 56.100 -0.195 0.000 0.976 392 R CB -0.396 29.878 30.300 -0.044 0.000 0.870 392 R HN 0.487 nan 8.270 nan 0.000 0.445 393 E N -0.250 119.884 120.200 -0.110 0.000 2.208 393 E HA -0.089 4.260 4.350 -0.002 0.000 0.193 393 E C 1.648 178.183 176.600 -0.109 0.000 0.988 393 E CA 0.875 57.224 56.400 -0.085 0.000 0.828 393 E CB -0.012 29.667 29.700 -0.035 0.000 0.763 393 E HN 0.439 nan 8.360 nan 0.000 0.478 394 A N 0.869 123.604 122.820 -0.142 0.000 1.978 394 A HA -0.151 4.168 4.320 -0.002 0.000 0.220 394 A C 2.083 179.543 177.584 -0.206 0.000 1.170 394 A CA 1.170 53.122 52.037 -0.141 0.000 0.636 394 A CB -0.504 18.421 19.000 -0.126 0.000 0.810 394 A HN 0.340 nan 8.150 nan 0.000 0.448 395 L N -1.706 119.330 121.223 -0.312 0.000 2.049 395 L HA -0.071 4.268 4.340 -0.002 0.000 0.203 395 L C 2.741 179.508 176.870 -0.171 0.000 1.074 395 L CA 1.257 55.932 54.840 -0.275 0.000 0.749 395 L CB -0.592 41.260 42.059 -0.346 0.000 0.907 395 L HN 0.377 nan 8.230 nan 0.000 0.439 396 R N 0.955 121.369 120.500 -0.143 0.000 2.119 396 R HA -0.229 4.110 4.340 -0.002 0.000 0.246 396 R C 2.253 178.503 176.300 -0.083 0.000 1.146 396 R CA 1.835 57.877 56.100 -0.096 0.000 0.962 396 R CB -0.061 30.195 30.300 -0.073 0.000 0.863 396 R HN 0.329 nan 8.270 nan 0.000 0.442 397 K N -0.663 119.688 120.400 -0.082 0.000 2.103 397 K HA -0.045 4.274 4.320 -0.002 0.000 0.204 397 K C 2.078 178.628 176.600 -0.082 0.000 1.052 397 K CA 1.100 57.349 56.287 -0.062 0.000 0.945 397 K CB -0.062 32.415 32.500 -0.039 0.000 0.722 397 K HN 0.193 nan 8.250 nan 0.000 0.443 398 A N 1.894 124.646 122.820 -0.113 0.000 1.858 398 A HA -0.235 4.083 4.320 -0.002 0.000 0.216 398 A C 2.061 179.535 177.584 -0.183 0.000 1.190 398 A CA 1.901 53.839 52.037 -0.165 0.000 0.617 398 A CB -0.431 18.471 19.000 -0.164 0.000 0.827 398 A HN 0.122 nan 8.150 nan 0.000 0.443 399 K N 0.307 120.624 120.400 -0.138 0.000 2.044 399 K HA -0.218 4.100 4.320 -0.002 0.000 0.210 399 K C 1.982 178.526 176.600 -0.094 0.000 1.049 399 K CA 2.221 58.441 56.287 -0.111 0.000 0.927 399 K CB -0.396 32.052 32.500 -0.087 0.000 0.713 399 K HN 0.612 nan 8.250 nan 0.000 0.443 400 E N 0.333 120.486 120.200 -0.079 0.000 2.160 400 E HA -0.215 4.134 4.350 -0.002 0.000 0.195 400 E C 1.249 177.817 176.600 -0.054 0.000 0.991 400 E CA 1.388 57.754 56.400 -0.056 0.000 0.810 400 E CB -0.023 29.651 29.700 -0.044 0.000 0.742 400 E HN 0.465 nan 8.360 nan 0.000 0.466 401 E N -1.265 118.889 120.200 -0.077 0.000 2.511 401 E HA 0.005 4.354 4.350 -0.002 0.000 0.196 401 E C 0.864 177.418 176.600 -0.077 0.000 1.066 401 E CA 0.400 56.764 56.400 -0.059 0.000 0.871 401 E CB 0.409 30.075 29.700 -0.056 0.000 0.863 401 E HN 0.507 nan 8.360 nan 0.000 0.520 402 G N 0.713 109.450 108.800 -0.105 0.000 2.192 402 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.193 402 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.193 402 G C 0.343 175.176 174.900 -0.113 0.000 0.999 402 G CA -0.072 44.980 45.100 -0.079 0.000 0.659 402 G HN 0.115 nan 8.290 nan 0.000 0.503 403 V N 0.928 120.719 119.914 -0.204 0.000 2.763 403 V HA 0.247 4.366 4.120 -0.002 0.000 0.306 403 V C 1.348 177.387 176.094 -0.092 0.000 1.059 403 V CA 1.291 63.480 62.300 -0.184 0.000 1.138 403 V CB 1.482 33.156 31.823 -0.248 0.000 0.940 403 V HN 0.515 nan 8.190 nan 0.000 0.489 404 Q N 2.354 122.124 119.800 -0.050 0.000 2.369 404 Q HA 0.516 4.855 4.340 -0.002 0.000 0.254 404 Q C 0.279 176.274 176.000 -0.008 0.000 0.858 404 Q CA 0.598 56.387 55.803 -0.024 0.000 0.961 404 Q CB 1.364 30.097 28.738 -0.009 0.000 1.119 404 Q HN 0.882 nan 8.270 nan 0.000 0.538 405 A N 0.470 123.290 122.820 0.000 0.000 2.606 405 A HA 0.669 4.987 4.320 -0.002 0.000 0.293 405 A C -1.820 175.780 177.584 0.025 0.000 1.082 405 A CA -0.561 51.484 52.037 0.013 0.000 0.685 405 A CB 2.071 21.086 19.000 0.025 0.000 1.284 405 A HN 0.014 nan 8.150 nan 0.000 0.408 406 V N 1.862 121.785 119.914 0.015 0.000 2.638 406 V HA 0.745 4.864 4.120 -0.002 0.000 0.306 406 V C -1.443 174.647 176.094 -0.006 0.000 1.052 406 V CA -0.734 61.571 62.300 0.009 0.000 0.885 406 V CB 1.444 33.253 31.823 -0.024 0.000 0.999 406 V HN 1.384 nan 8.190 nan 0.000 0.424 407 L N 7.462 128.668 121.223 -0.028 0.000 2.276 407 L HA 0.663 5.001 4.340 -0.002 0.000 0.286 407 L C -0.564 176.219 176.870 -0.146 0.000 1.061 407 L CA 0.286 55.082 54.840 -0.072 0.000 0.807 407 L CB 1.540 43.548 42.059 -0.085 0.000 1.177 407 L HN 0.544 nan 8.230 nan 0.000 0.429 408 V N 7.276 127.126 119.914 -0.106 0.000 2.293 408 V HA 0.306 4.425 4.120 -0.002 0.000 0.275 408 V C 0.152 176.175 176.094 -0.118 0.000 1.021 408 V CA -0.487 61.743 62.300 -0.118 0.000 0.815 408 V CB 1.069 32.840 31.823 -0.085 0.000 1.025 408 V HN 0.604 nan 8.190 nan 0.000 0.448 409 L N 5.018 126.149 121.223 -0.154 0.000 2.312 409 L HA 0.503 4.842 4.340 -0.002 0.000 0.287 409 L C 0.350 177.159 176.870 -0.101 0.000 1.091 409 L CA 0.460 55.225 54.840 -0.125 0.000 0.846 409 L CB 0.971 42.934 42.059 -0.161 0.000 1.219 409 L HN 0.697 nan 8.230 nan 0.000 0.439 410 T N 4.156 118.665 114.554 -0.076 0.000 2.993 410 T HA 0.453 4.802 4.350 -0.002 0.000 0.312 410 T C -2.724 171.947 174.700 -0.049 0.000 1.115 410 T CA -1.652 60.407 62.100 -0.068 0.000 1.027 410 T CB 2.020 70.837 68.868 -0.085 0.000 1.116 410 T HN 0.068 nan 8.240 nan 0.000 0.464 411 P HA 0.177 nan 4.420 nan 0.000 0.267 411 P C -2.577 174.700 177.300 -0.037 0.000 1.201 411 P CA -0.709 62.375 63.100 -0.027 0.000 0.775 411 P CB -0.433 31.255 31.700 -0.019 0.000 0.854 412 P HA -0.069 nan 4.420 nan 0.000 0.255 412 P C -0.091 177.175 177.300 -0.057 0.000 1.151 412 P CA 1.270 64.340 63.100 -0.050 0.000 0.767 412 P CB -0.086 31.593 31.700 -0.035 0.000 0.736 413 M N 2.302 121.852 119.600 -0.084 0.000 2.219 413 M HA 0.525 5.004 4.480 -0.002 0.000 0.280 413 M C 0.755 177.005 176.300 -0.083 0.000 1.189 413 M CA -0.744 54.509 55.300 -0.079 0.000 1.010 413 M CB 0.803 33.347 32.600 -0.095 0.000 1.422 413 M HN 0.213 nan 8.290 nan 0.000 0.504 414 A N -0.403 122.392 122.820 -0.042 0.000 2.293 414 A HA 0.257 4.575 4.320 -0.002 0.000 0.302 414 A C 0.071 177.668 177.584 0.021 0.000 1.119 414 A CA -0.527 51.515 52.037 0.008 0.000 0.823 414 A CB 0.080 19.113 19.000 0.054 0.000 1.097 414 A HN 1.028 nan 8.150 nan 0.000 0.491 415 W N 0.033 121.334 121.300 0.002 0.000 2.304 415 W HA -0.202 4.457 4.660 -0.002 0.000 0.315 415 W C 2.649 179.167 176.519 -0.001 0.000 1.233 415 W CA 2.981 60.327 57.345 0.002 0.000 1.261 415 W CB -0.168 29.295 29.460 0.006 0.000 1.150 415 W HN 0.944 nan 8.180 nan 0.000 0.494 416 E N 0.111 120.459 120.200 0.247 0.000 2.047 416 E HA -0.211 4.138 4.350 -0.002 0.000 0.191 416 E C 1.386 178.034 176.600 0.080 0.000 0.987 416 E CA 1.847 58.334 56.400 0.144 0.000 0.799 416 E CB -1.076 28.686 29.700 0.103 0.000 0.752 416 E HN 0.287 nan 8.360 nan 0.000 0.449 417 D N -0.282 120.147 120.400 0.048 0.000 2.178 417 D HA -0.133 4.506 4.640 -0.002 0.000 0.202 417 D C 2.005 178.294 176.300 -0.018 0.000 0.974 417 D CA 1.048 55.051 54.000 0.004 0.000 0.841 417 D CB -0.237 40.555 40.800 -0.013 0.000 0.953 417 D HN 0.256 nan 8.370 nan 0.000 0.478 418 R N 1.171 121.658 120.500 -0.022 0.000 2.070 418 R HA -0.104 4.234 4.340 -0.002 0.000 0.232 418 R C 1.552 177.836 176.300 -0.026 0.000 1.138 418 R CA 1.143 57.207 56.100 -0.059 0.000 0.936 418 R CB -0.450 29.766 30.300 -0.141 0.000 0.839 418 R HN 0.099 nan 8.270 nan 0.000 0.429 419 N N 0.924 119.644 118.700 0.033 0.000 2.149 419 N HA -0.142 4.597 4.740 -0.002 0.000 0.188 419 N C 1.929 177.421 175.510 -0.030 0.000 1.019 419 N CA 1.108 54.179 53.050 0.034 0.000 0.857 419 N CB -0.395 38.155 38.487 0.105 0.000 0.997 419 N HN 0.271 nan 8.380 nan 0.000 0.426 420 R N 0.194 120.684 120.500 -0.015 0.000 2.080 420 R HA -0.111 4.228 4.340 -0.002 0.000 0.236 420 R C 2.059 178.324 176.300 -0.058 0.000 1.137 420 R CA 1.035 57.114 56.100 -0.035 0.000 0.943 420 R CB -0.676 29.618 30.300 -0.009 0.000 0.846 420 R HN 0.165 nan 8.270 nan 0.000 0.431 421 L N 1.596 122.791 121.223 -0.046 0.000 2.017 421 L HA -0.158 4.180 4.340 -0.002 0.000 0.208 421 L C 1.966 178.809 176.870 -0.044 0.000 1.073 421 L CA 1.873 56.693 54.840 -0.033 0.000 0.745 421 L CB -0.397 41.631 42.059 -0.051 0.000 0.894 421 L HN -0.069 nan 8.230 nan 0.000 0.432 422 K N 0.185 120.547 120.400 -0.064 0.000 2.020 422 K HA -0.111 4.207 4.320 -0.002 0.000 0.212 422 K C 2.143 178.655 176.600 -0.147 0.000 1.050 422 K CA 1.726 57.968 56.287 -0.075 0.000 0.929 422 K CB -1.106 31.364 32.500 -0.049 0.000 0.714 422 K HN 0.482 nan 8.250 nan 0.000 0.443 423 A N 1.198 123.868 122.820 -0.250 0.000 1.930 423 A HA -0.131 4.188 4.320 -0.002 0.000 0.217 423 A C 2.193 179.546 177.584 -0.385 0.000 1.175 423 A CA 1.260 52.957 52.037 -0.567 0.000 0.627 423 A CB -0.491 17.925 19.000 -0.974 0.000 0.815 423 A HN 0.248 nan 8.150 nan 0.000 0.443 424 L N 0.146 121.261 121.223 -0.180 0.000 1.994 424 L HA -0.122 4.216 4.340 -0.002 0.000 0.208 424 L C 2.251 179.095 176.870 -0.043 0.000 1.071 424 L CA 1.832 56.641 54.840 -0.051 0.000 0.745 424 L CB -0.658 41.426 42.059 0.041 0.000 0.892 424 L HN 0.402 nan 8.230 nan 0.000 0.431 425 L N -1.260 119.936 121.223 -0.045 0.000 2.046 425 L HA -0.230 4.109 4.340 -0.002 0.000 0.208 425 L C 2.594 179.421 176.870 -0.072 0.000 1.077 425 L CA 0.902 55.707 54.840 -0.058 0.000 0.747 425 L CB -0.948 41.086 42.059 -0.042 0.000 0.896 425 L HN 0.301 nan 8.230 nan 0.000 0.432 426 L N -0.021 121.143 121.223 -0.098 0.000 2.081 426 L HA -0.190 4.149 4.340 -0.002 0.000 0.212 426 L C 2.646 179.481 176.870 -0.058 0.000 1.080 426 L CA 1.640 56.410 54.840 -0.117 0.000 0.754 426 L CB -0.828 41.109 42.059 -0.203 0.000 0.893 426 L HN 0.145 nan 8.230 nan 0.000 0.433 427 R N -0.798 119.690 120.500 -0.019 0.000 2.285 427 R HA -0.084 4.254 4.340 -0.002 0.000 0.213 427 R C 1.193 177.487 176.300 -0.010 0.000 1.068 427 R CA 0.490 56.605 56.100 0.025 0.000 1.004 427 R CB 0.053 30.400 30.300 0.078 0.000 0.873 427 R HN 0.296 nan 8.270 nan 0.000 0.467 428 E N -0.960 119.217 120.200 -0.038 0.000 2.498 428 E HA 0.101 4.450 4.350 -0.002 0.000 0.203 428 E C 0.645 177.216 176.600 -0.047 0.000 1.013 428 E CA 0.305 56.674 56.400 -0.052 0.000 0.927 428 E CB 1.282 30.930 29.700 -0.086 0.000 1.012 428 E HN 0.404 nan 8.360 nan 0.000 0.482 429 G N 1.535 110.312 108.800 -0.038 0.000 2.149 429 G HA2 -0.260 3.698 3.960 -0.002 0.000 0.235 429 G HA3 -0.260 3.698 3.960 -0.002 0.000 0.235 429 G C 0.062 174.948 174.900 -0.023 0.000 1.018 429 G CA 0.188 45.275 45.100 -0.023 0.000 0.728 429 G HN 0.191 nan 8.290 nan 0.000 0.508 430 L N 0.676 121.876 121.223 -0.039 0.000 2.366 430 L HA 0.380 4.718 4.340 -0.002 0.000 0.266 430 L C -2.118 174.739 176.870 -0.021 0.000 1.010 430 L CA -2.220 52.601 54.840 -0.032 0.000 0.879 430 L CB 1.891 43.916 42.059 -0.056 0.000 1.228 430 L HN -0.140 nan 8.230 nan 0.000 0.439 431 P HA 0.075 nan 4.420 nan 0.000 0.269 431 P C -0.759 176.550 177.300 0.015 0.000 1.217 431 P CA -0.038 63.085 63.100 0.038 0.000 0.783 431 P CB 0.753 32.501 31.700 0.081 0.000 0.898 432 S N -0.020 115.690 115.700 0.016 0.000 2.575 432 S HA 0.538 5.006 4.470 -0.002 0.000 0.278 432 S C -1.215 173.385 174.600 0.001 0.000 1.139 432 S CA -0.818 57.382 58.200 0.000 0.000 0.954 432 S CB 1.660 64.853 63.200 -0.013 0.000 1.054 432 S HN 0.313 nan 8.310 nan 0.000 0.483 433 Q N 2.541 122.341 119.800 0.000 0.000 2.348 433 Q HA 0.580 4.919 4.340 -0.002 0.000 0.265 433 Q C -1.251 174.745 176.000 -0.007 0.000 0.998 433 Q CA -0.451 55.355 55.803 0.004 0.000 0.831 433 Q CB 0.629 29.382 28.738 0.024 0.000 1.251 433 Q HN 0.794 nan 8.270 nan 0.000 0.456 434 I N 4.108 124.668 120.570 -0.017 0.000 2.472 434 I HA 0.321 4.489 4.170 -0.002 0.000 0.290 434 I C -0.619 175.491 176.117 -0.011 0.000 1.016 434 I CA -0.900 60.380 61.300 -0.033 0.000 1.348 434 I CB 0.983 38.948 38.000 -0.057 0.000 1.417 434 I HN 0.531 nan 8.210 nan 0.000 0.521 435 L N 6.672 127.886 121.223 -0.016 0.000 2.470 435 L HA 0.463 4.802 4.340 -0.002 0.000 0.268 435 L C -0.878 175.992 176.870 -0.000 0.000 0.964 435 L CA -0.468 54.382 54.840 0.016 0.000 0.839 435 L CB 1.634 43.719 42.059 0.044 0.000 1.276 435 L HN 0.403 nan 8.230 nan 0.000 0.403 436 N N 3.411 122.121 118.700 0.016 0.000 2.442 436 N HA 0.152 4.890 4.740 -0.002 0.000 0.265 436 N C 1.201 176.720 175.510 0.017 0.000 1.138 436 N CA -0.129 52.924 53.050 0.005 0.000 0.956 436 N CB 1.927 40.418 38.487 0.007 0.000 1.067 436 N HN 0.552 nan 8.380 nan 0.000 0.474 437 V N 3.739 123.651 119.914 -0.004 0.000 2.380 437 V HA -0.158 3.961 4.120 -0.002 0.000 0.251 437 V C -1.300 174.806 176.094 0.020 0.000 1.063 437 V CA 1.350 63.648 62.300 -0.003 0.000 1.055 437 V CB -1.111 30.700 31.823 -0.019 0.000 0.657 437 V HN 0.669 nan 8.190 nan 0.000 0.455 438 P HA 0.223 nan 4.420 nan 0.000 0.245 438 P C -0.542 176.793 177.300 0.059 0.000 1.670 438 P CA 0.840 63.960 63.100 0.034 0.000 1.146 438 P CB -0.510 31.206 31.700 0.026 0.000 1.954 439 L N 0.699 121.968 121.223 0.078 0.000 2.342 439 L HA 0.982 5.321 4.340 -0.002 0.000 0.271 439 L C 0.421 177.360 176.870 0.116 0.000 1.008 439 L CA -1.207 53.711 54.840 0.130 0.000 0.818 439 L CB 1.217 43.378 42.059 0.171 0.000 1.296 439 L HN 0.217 nan 8.230 nan 0.000 0.427 440 R N 0.479 121.036 120.500 0.095 0.000 2.673 440 R HA 0.580 4.919 4.340 -0.002 0.000 0.281 440 R C 0.583 176.758 176.300 -0.207 0.000 0.991 440 R CA 0.151 56.227 56.100 -0.040 0.000 0.896 440 R CB 0.323 30.613 30.300 -0.016 0.000 1.201 440 R HN 0.985 nan 8.270 nan 0.000 0.457 441 E N 1.101 120.920 120.200 -0.635 0.000 2.108 441 E HA -0.232 4.116 4.350 -0.002 0.000 0.203 441 E C 0.958 177.508 176.600 -0.084 0.000 1.022 441 E CA 2.001 57.866 56.400 -0.892 0.000 0.823 441 E CB 0.374 29.630 29.700 -0.741 0.000 0.744 441 E HN 0.795 nan 8.360 nan 0.000 0.456 442 E N 0.879 121.046 120.200 -0.055 0.000 2.438 442 E HA -0.078 4.271 4.350 -0.002 0.000 0.192 442 E C -0.051 176.569 176.600 0.034 0.000 1.110 442 E CA 0.386 56.790 56.400 0.006 0.000 0.893 442 E CB -0.149 29.535 29.700 -0.027 0.000 0.990 442 E HN 0.276 nan 8.360 nan 0.000 0.490 443 E N 0.521 120.813 120.200 0.154 0.000 2.434 443 E HA 0.135 4.483 4.350 -0.002 0.000 0.243 443 E C 1.622 178.178 176.600 -0.073 0.000 1.250 443 E CA 0.049 56.518 56.400 0.115 0.000 1.568 443 E CB 0.218 30.047 29.700 0.216 0.000 1.435 443 E HN 0.368 nan 8.360 nan 0.000 0.432 444 R N 0.329 120.645 120.500 -0.307 0.000 2.179 444 R HA -0.292 4.047 4.340 -0.002 0.000 0.238 444 R C 1.632 177.430 176.300 -0.836 0.000 1.119 444 R CA 2.598 58.228 56.100 -0.784 0.000 0.915 444 R CB -1.833 28.058 30.300 -0.683 0.000 0.870 444 R HN 0.479 nan 8.270 nan 0.000 0.432 445 H N -0.231 118.540 119.070 -0.499 0.000 2.321 445 H HA -0.099 4.456 4.556 -0.002 0.000 0.295 445 H C 2.535 177.758 175.328 -0.176 0.000 1.102 445 H CA 1.686 57.441 56.048 -0.488 0.000 1.266 445 H CB 0.036 29.430 29.762 -0.613 0.000 1.363 445 H HN 0.311 nan 8.280 nan 0.000 0.492 446 R N 0.832 121.318 120.500 -0.023 0.000 2.148 446 R HA -0.183 4.156 4.340 -0.002 0.000 0.230 446 R C 2.349 178.738 176.300 0.148 0.000 1.120 446 R CA 2.069 58.223 56.100 0.090 0.000 0.902 446 R CB -0.968 29.429 30.300 0.162 0.000 0.839 446 R HN 0.672 nan 8.270 nan 0.000 0.431 447 W N 0.590 121.986 121.300 0.160 0.000 2.584 447 W HA 0.041 4.699 4.660 -0.002 0.000 0.264 447 W C 1.240 177.877 176.519 0.197 0.000 1.264 447 W CA 0.150 57.603 57.345 0.181 0.000 1.306 447 W CB -0.615 28.991 29.460 0.244 0.000 1.110 447 W HN 0.234 nan 8.180 nan 0.000 0.606 448 E N 1.290 121.362 120.200 -0.213 0.000 2.106 448 E HA -0.189 4.159 4.350 -0.002 0.000 0.192 448 E C 1.953 178.617 176.600 0.107 0.000 0.984 448 E CA 1.383 57.719 56.400 -0.107 0.000 0.806 448 E CB -0.105 29.484 29.700 -0.185 0.000 0.750 448 E HN 0.010 nan 8.360 nan 0.000 0.458 449 N N -0.030 118.771 118.700 0.167 0.000 2.216 449 N HA -0.069 4.670 4.740 -0.002 0.000 0.183 449 N C 1.467 177.058 175.510 0.137 0.000 1.017 449 N CA 1.097 54.239 53.050 0.155 0.000 0.861 449 N CB -0.285 38.317 38.487 0.192 0.000 0.986 449 N HN 0.188 nan 8.380 nan 0.000 0.428 450 A N 0.639 123.564 122.820 0.176 0.000 1.908 450 A HA -0.119 4.199 4.320 -0.002 0.000 0.218 450 A C 2.042 179.726 177.584 0.168 0.000 1.181 450 A CA 1.094 53.234 52.037 0.171 0.000 0.627 450 A CB -0.594 18.539 19.000 0.221 0.000 0.818 450 A HN 0.149 nan 8.150 nan 0.000 0.445 451 L N -0.428 120.927 121.223 0.220 0.000 2.027 451 L HA -0.100 4.239 4.340 -0.002 0.000 0.206 451 L C 2.542 179.500 176.870 0.146 0.000 1.074 451 L CA 1.429 56.401 54.840 0.221 0.000 0.745 451 L CB -1.021 41.218 42.059 0.299 0.000 0.898 451 L HN 0.373 nan 8.230 nan 0.000 0.433 452 L N -1.035 120.255 121.223 0.112 0.000 2.042 452 L HA -0.198 4.141 4.340 -0.002 0.000 0.210 452 L C 2.469 179.334 176.870 -0.009 0.000 1.076 452 L CA 1.491 56.357 54.840 0.044 0.000 0.749 452 L CB -1.234 40.828 42.059 0.005 0.000 0.893 452 L HN 0.435 nan 8.230 nan 0.000 0.432 453 G N -0.355 108.452 108.800 0.011 0.000 2.408 453 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.217 453 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.217 453 G C 1.657 176.548 174.900 -0.016 0.000 1.150 453 G CA 0.405 45.494 45.100 -0.018 0.000 0.776 453 G HN 0.243 nan 8.290 nan 0.000 0.542 454 L N -0.149 121.092 121.223 0.030 0.000 2.017 454 L HA 0.043 4.382 4.340 -0.002 0.000 0.208 454 L C 2.877 179.754 176.870 0.012 0.000 1.073 454 L CA 0.957 55.821 54.840 0.040 0.000 0.745 454 L CB -0.161 41.956 42.059 0.097 0.000 0.894 454 L HN 0.206 nan 8.230 nan 0.000 0.432 455 L N -0.588 120.636 121.223 0.002 0.000 2.046 455 L HA -0.186 4.153 4.340 -0.002 0.000 0.208 455 L C 2.817 179.621 176.870 -0.111 0.000 1.077 455 L CA 1.077 55.881 54.840 -0.060 0.000 0.747 455 L CB -0.752 41.221 42.059 -0.143 0.000 0.896 455 L HN 0.308 nan 8.230 nan 0.000 0.432 456 A N 0.319 123.068 122.820 -0.118 0.000 1.908 456 A HA -0.233 4.085 4.320 -0.002 0.000 0.218 456 A C 2.298 179.814 177.584 -0.113 0.000 1.181 456 A CA 1.790 53.745 52.037 -0.137 0.000 0.627 456 A CB -0.359 18.532 19.000 -0.181 0.000 0.818 456 A HN 0.364 nan 8.150 nan 0.000 0.445 457 K N -0.369 119.975 120.400 -0.093 0.000 2.217 457 K HA 0.073 4.392 4.320 -0.002 0.000 0.202 457 K C 2.139 178.733 176.600 -0.012 0.000 1.051 457 K CA 0.827 57.077 56.287 -0.062 0.000 0.952 457 K CB -0.235 32.239 32.500 -0.042 0.000 0.736 457 K HN 0.441 nan 8.250 nan 0.000 0.453 458 A N 0.759 123.570 122.820 -0.015 0.000 1.969 458 A HA 0.042 4.361 4.320 -0.002 0.000 0.218 458 A C 1.624 179.207 177.584 -0.001 0.000 1.169 458 A CA 1.521 53.560 52.037 0.002 0.000 0.635 458 A CB -0.293 18.715 19.000 0.012 0.000 0.810 458 A HN 0.433 nan 8.150 nan 0.000 0.445 459 G N -2.745 106.041 108.800 -0.022 0.000 2.164 459 G HA2 -0.051 3.908 3.960 -0.002 0.000 0.154 459 G HA3 -0.051 3.908 3.960 -0.002 0.000 0.154 459 G C -0.254 174.625 174.900 -0.035 0.000 1.014 459 G CA -0.071 45.017 45.100 -0.020 0.000 0.683 459 G HN 0.296 nan 8.290 nan 0.000 0.500 460 L N 1.074 122.250 121.223 -0.078 0.000 2.375 460 L HA 0.511 4.850 4.340 -0.002 0.000 0.271 460 L C 0.848 177.649 176.870 -0.115 0.000 1.107 460 L CA -0.076 54.687 54.840 -0.129 0.000 0.806 460 L CB 1.213 43.091 42.059 -0.302 0.000 1.146 460 L HN 0.274 nan 8.230 nan 0.000 0.447 461 Q N 2.136 121.908 119.800 -0.046 0.000 2.441 461 Q HA 0.179 4.518 4.340 -0.002 0.000 0.234 461 Q C 0.832 176.844 176.000 0.020 0.000 1.078 461 Q CA -0.393 55.415 55.803 0.009 0.000 0.907 461 Q CB 1.175 29.980 28.738 0.112 0.000 1.269 461 Q HN 0.527 nan 8.270 nan 0.000 0.502 462 V N 2.115 122.010 119.914 -0.031 0.000 2.237 462 V HA -0.153 3.966 4.120 -0.002 0.000 0.245 462 V C 1.023 177.231 176.094 0.190 0.000 1.046 462 V CA 1.556 63.919 62.300 0.105 0.000 1.007 462 V CB -0.443 31.411 31.823 0.052 0.000 0.638 462 V HN 0.657 nan 8.190 nan 0.000 0.445 463 V N -3.691 116.258 119.914 0.058 0.000 3.102 463 V HA 1.021 5.140 4.120 -0.002 0.000 0.312 463 V C -0.592 175.379 176.094 -0.206 0.000 1.135 463 V CA -0.361 61.943 62.300 0.007 0.000 1.022 463 V CB 1.622 33.456 31.823 0.017 0.000 1.056 463 V HN 0.434 nan 8.190 nan 0.000 0.436 464 A N 1.741 124.333 122.820 -0.380 0.000 2.552 464 A HA 0.925 5.243 4.320 -0.002 0.000 0.288 464 A C -1.402 176.009 177.584 -0.288 0.000 1.193 464 A CA -0.916 50.764 52.037 -0.594 0.000 0.713 464 A CB 1.685 19.720 19.000 -1.609 0.000 1.305 464 A HN 1.020 nan 8.150 nan 0.000 0.424 465 L N 1.022 122.125 121.223 -0.200 0.000 2.313 465 L HA 0.648 4.987 4.340 -0.002 0.000 0.283 465 L C 0.609 177.515 176.870 0.061 0.000 1.013 465 L CA -0.290 54.541 54.840 -0.015 0.000 0.816 465 L CB 1.715 43.800 42.059 0.043 0.000 1.236 465 L HN 0.924 nan 8.230 nan 0.000 0.419 466 S N 2.381 118.127 115.700 0.076 0.000 2.410 466 S HA 0.789 5.258 4.470 -0.002 0.000 0.304 466 S C 0.254 174.850 174.600 -0.007 0.000 1.095 466 S CA -0.021 58.214 58.200 0.057 0.000 1.089 466 S CB 0.825 64.060 63.200 0.060 0.000 0.968 466 S HN 0.825 nan 8.310 nan 0.000 0.480 467 G N 0.210 108.953 108.800 -0.096 0.000 2.320 467 G HA2 0.673 4.632 3.960 -0.002 0.000 0.297 467 G HA3 0.673 4.632 3.960 -0.002 0.000 0.297 467 G C -1.208 173.372 174.900 -0.533 0.000 1.344 467 G CA 0.051 44.940 45.100 -0.352 0.000 0.851 467 G HN 1.556 nan 8.290 nan 0.000 0.567 468 A N -0.053 122.376 122.820 -0.653 0.000 2.258 468 A HA 0.847 5.166 4.320 -0.002 0.000 0.316 468 A C -1.207 176.013 177.584 -0.607 0.000 1.279 468 A CA -0.417 51.342 52.037 -0.464 0.000 0.876 468 A CB 0.283 19.132 19.000 -0.252 0.000 1.170 468 A HN 0.833 nan 8.150 nan 0.000 0.520 469 Y N 2.380 122.679 120.300 -0.001 0.000 2.462 469 Y HA 0.430 4.979 4.550 -0.002 0.000 0.346 469 Y C -1.537 174.372 175.900 0.015 0.000 0.976 469 Y CA -1.917 56.194 58.100 0.019 0.000 1.044 469 Y CB 1.837 40.305 38.460 0.013 0.000 1.230 469 Y HN 0.565 nan 8.280 nan 0.000 0.455 470 P HA -0.113 nan 4.420 nan 0.000 0.216 470 P C -0.240 177.109 177.300 0.081 0.000 1.150 470 P CA 1.197 64.351 63.100 0.089 0.000 0.837 470 P CB 0.283 32.029 31.700 0.077 0.000 0.786 471 A N -0.528 122.354 122.820 0.103 0.000 2.337 471 A HA 0.318 4.637 4.320 -0.002 0.000 0.329 471 A C 0.844 178.476 177.584 0.081 0.000 1.146 471 A CA -0.494 51.583 52.037 0.066 0.000 0.800 471 A CB 1.074 20.104 19.000 0.051 0.000 1.220 471 A HN -0.063 nan 8.150 nan 0.000 0.472 472 E N 0.269 120.492 120.200 0.038 0.000 2.276 472 E HA 0.063 4.412 4.350 -0.002 0.000 0.193 472 E C -0.458 176.206 176.600 0.106 0.000 0.983 472 E CA 0.298 56.756 56.400 0.097 0.000 0.861 472 E CB 0.311 30.056 29.700 0.076 0.000 0.817 472 E HN 0.494 nan 8.360 nan 0.000 0.485 473 L N 0.246 121.451 121.223 -0.031 0.000 2.365 473 L HA 0.565 4.904 4.340 -0.002 0.000 0.273 473 L C -1.503 175.393 176.870 0.044 0.000 1.000 473 L CA -0.725 54.124 54.840 0.015 0.000 0.819 473 L CB 1.777 43.764 42.059 -0.120 0.000 1.284 473 L HN -0.170 nan 8.230 nan 0.000 0.418 474 A N 5.201 128.061 122.820 0.066 0.000 2.332 474 A HA 0.727 5.046 4.320 -0.002 0.000 0.300 474 A C -1.131 176.493 177.584 0.067 0.000 1.153 474 A CA -0.293 51.780 52.037 0.059 0.000 0.764 474 A CB 1.206 20.221 19.000 0.025 0.000 1.174 474 A HN 1.086 nan 8.150 nan 0.000 0.467 475 V N 0.378 120.346 119.914 0.090 0.000 2.715 475 V HA 1.012 5.130 4.120 -0.002 0.000 0.310 475 V C 0.143 176.272 176.094 0.058 0.000 1.054 475 V CA -0.079 62.239 62.300 0.029 0.000 0.928 475 V CB 1.548 33.366 31.823 -0.007 0.000 1.007 475 V HN 1.337 nan 8.190 nan 0.000 0.437 476 G N 2.709 111.460 108.800 -0.082 0.000 2.495 476 G HA2 0.745 4.704 3.960 -0.002 0.000 0.318 476 G HA3 0.745 4.704 3.960 -0.002 0.000 0.318 476 G C -1.651 173.168 174.900 -0.135 0.000 1.257 476 G CA -0.595 44.528 45.100 0.039 0.000 0.962 476 G HN 0.585 nan 8.290 nan 0.000 0.483 477 F N 0.821 120.838 119.950 0.111 0.000 2.495 477 F HA 0.588 5.113 4.527 -0.003 0.000 0.327 477 F C 0.090 175.933 175.800 0.073 0.000 1.103 477 F CA -0.858 57.207 58.000 0.108 0.000 0.949 477 F CB 2.665 41.774 39.000 0.181 0.000 1.142 477 F HN 0.424 nan 8.300 nan 0.000 0.457 478 D N 0.632 121.142 120.400 0.182 0.000 2.904 478 D HA 0.839 5.478 4.640 -0.002 0.000 0.290 478 D C -1.565 174.798 176.300 0.105 0.000 1.180 478 D CA -0.639 53.430 54.000 0.115 0.000 1.065 478 D CB 2.168 42.991 40.800 0.039 0.000 1.386 478 D HN 0.640 nan 8.370 nan 0.000 0.599 479 A N -0.443 122.419 122.820 0.069 0.000 2.488 479 A HA 0.694 5.013 4.320 -0.002 0.000 0.298 479 A C 0.373 177.992 177.584 0.058 0.000 1.044 479 A CA -0.146 51.934 52.037 0.072 0.000 0.693 479 A CB 1.254 20.289 19.000 0.058 0.000 1.272 479 A HN 0.520 nan 8.150 nan 0.000 0.402 480 G N 0.437 109.296 108.800 0.099 0.000 2.443 480 G HA2 0.527 4.485 3.960 -0.002 0.000 0.286 480 G HA3 0.527 4.485 3.960 -0.002 0.000 0.286 480 G C 0.537 175.457 174.900 0.034 0.000 1.393 480 G CA 0.492 45.661 45.100 0.114 0.000 1.080 480 G HN 1.776 nan 8.290 nan 0.000 0.566 481 G N -4.348 104.459 108.800 0.012 0.000 2.731 481 G HA2 0.749 4.708 3.960 -0.002 0.000 0.309 481 G HA3 0.749 4.708 3.960 -0.002 0.000 0.309 481 G C 0.287 175.121 174.900 -0.111 0.000 1.273 481 G CA 1.165 46.235 45.100 -0.051 0.000 0.798 481 G HN 1.852 nan 8.290 nan 0.000 0.509 482 R N -2.068 118.361 120.500 -0.119 0.000 3.988 482 R HA 0.123 4.462 4.340 -0.002 0.000 0.345 482 R C 1.439 177.608 176.300 -0.218 0.000 0.241 482 R CA 3.156 59.165 56.100 -0.152 0.000 1.136 482 R CB -2.173 28.041 30.300 -0.144 0.000 1.014 482 R HN 2.714 nan 8.270 nan 0.000 0.555 483 E N 0.098 120.100 120.200 -0.329 0.000 2.435 483 E HA 0.589 4.938 4.350 -0.002 0.000 0.256 483 E C 2.212 178.541 176.600 -0.451 0.000 1.245 483 E CA 1.320 57.485 56.400 -0.391 0.000 0.989 483 E CB -0.472 28.955 29.700 -0.456 0.000 0.983 483 E HN 2.324 nan 8.360 nan 0.000 0.480 484 S N -0.832 114.741 115.700 -0.213 0.000 2.462 484 S HA 0.194 4.663 4.470 -0.002 0.000 0.243 484 S C 0.640 175.224 174.600 -0.026 0.000 1.003 484 S CA 1.688 59.861 58.200 -0.045 0.000 0.970 484 S CB -0.926 62.323 63.200 0.082 0.000 0.762 484 S HN 0.929 nan 8.310 nan 0.000 0.510 485 F N -1.024 118.869 119.950 -0.094 0.000 2.579 485 F HA 0.858 5.385 4.527 -0.000 0.000 0.324 485 F C -0.092 175.587 175.800 -0.201 0.000 1.058 485 F CA -1.745 56.163 58.000 -0.154 0.000 0.944 485 F CB 1.391 40.269 39.000 -0.204 0.000 1.245 485 F HN -0.166 nan 8.300 nan 0.000 0.477 486 R N 0.387 120.836 120.500 -0.085 0.000 2.960 486 R HA 0.638 4.977 4.340 -0.002 0.000 0.249 486 R C -1.938 174.224 176.300 -0.231 0.000 1.192 486 R CA -1.040 54.975 56.100 -0.142 0.000 1.035 486 R CB 1.672 31.948 30.300 -0.040 0.000 1.234 486 R HN 0.606 nan 8.270 nan 0.000 0.493 487 F N 0.062 120.062 119.950 0.083 0.000 2.445 487 F HA 0.353 4.879 4.527 -0.002 0.000 0.348 487 F C 0.742 176.576 175.800 0.055 0.000 1.125 487 F CA -0.606 57.447 58.000 0.087 0.000 0.983 487 F CB 1.983 41.030 39.000 0.078 0.000 1.198 487 F HN 0.579 nan 8.300 nan 0.000 0.436 488 G N 1.638 110.556 108.800 0.197 0.000 2.364 488 G HA2 0.497 4.456 3.960 -0.002 0.000 0.267 488 G HA3 0.497 4.456 3.960 -0.002 0.000 0.267 488 G C -0.132 174.866 174.900 0.163 0.000 1.233 488 G CA -0.225 44.967 45.100 0.154 0.000 0.885 488 G HN 0.925 nan 8.290 nan 0.000 0.490 489 G N -0.428 108.448 108.800 0.127 0.000 2.696 489 G HA2 0.869 4.828 3.960 -0.002 0.000 0.295 489 G HA3 0.869 4.828 3.960 -0.002 0.000 0.295 489 G C -1.019 173.869 174.900 -0.021 0.000 1.398 489 G CA 0.067 45.205 45.100 0.065 0.000 0.920 489 G HN 1.309 nan 8.290 nan 0.000 0.492 490 A N -0.626 122.127 122.820 -0.111 0.000 2.566 490 A HA 1.053 5.372 4.320 -0.002 0.000 0.292 490 A C -0.618 176.861 177.584 -0.176 0.000 1.112 490 A CA -0.224 51.610 52.037 -0.339 0.000 0.707 490 A CB 1.864 20.397 19.000 -0.778 0.000 1.302 490 A HN 2.420 nan 8.150 nan 0.000 0.409 491 A N -0.692 122.017 122.820 -0.184 0.000 2.456 491 A HA 0.641 4.960 4.320 -0.002 0.000 0.288 491 A C 0.042 177.620 177.584 -0.011 0.000 1.042 491 A CA 0.048 52.074 52.037 -0.018 0.000 0.738 491 A CB -0.082 18.961 19.000 0.071 0.000 1.266 491 A HN 2.457 nan 8.150 nan 0.000 0.407 492 C N 1.070 120.386 119.300 0.026 0.000 2.633 492 C HA 0.846 5.305 4.460 -0.002 0.000 0.345 492 C C 0.962 176.006 174.990 0.090 0.000 1.384 492 C CA 0.411 59.462 59.018 0.055 0.000 2.418 492 C CB -0.053 27.736 27.740 0.081 0.000 2.425 492 C HN 2.065 nan 8.230 nan 0.000 0.705 493 A N 1.055 123.941 122.820 0.109 0.000 2.745 493 A HA 0.708 5.027 4.320 -0.002 0.000 0.301 493 A C -0.267 177.415 177.584 0.163 0.000 1.188 493 A CA 0.514 52.619 52.037 0.114 0.000 0.746 493 A CB -0.088 18.953 19.000 0.068 0.000 1.207 493 A HN 2.636 nan 8.150 nan 0.000 0.432 494 V N 1.665 121.709 119.914 0.217 0.000 2.540 494 V HA 0.495 4.614 4.120 -0.002 0.000 0.297 494 V C 1.153 177.331 176.094 0.140 0.000 1.024 494 V CA 1.203 63.666 62.300 0.272 0.000 1.105 494 V CB -0.298 31.696 31.823 0.285 0.000 0.938 494 V HN 2.569 nan 8.190 nan 0.000 0.482 495 G N 3.496 112.484 108.800 0.312 0.000 2.797 495 G HA2 0.286 4.244 3.960 -0.002 0.000 0.686 495 G HA3 0.286 4.244 3.960 -0.002 0.000 0.686 495 G C 0.438 175.420 174.900 0.137 0.000 1.452 495 G CA -0.021 45.209 45.100 0.217 0.000 0.986 495 G HN 2.452 nan 8.290 nan 0.000 0.595 501 L N 2.002 123.323 121.223 0.163 0.000 2.334 501 L HA 0.739 5.078 4.340 -0.002 0.000 0.272 501 L C -0.724 176.211 176.870 0.108 0.000 1.020 501 L CA -1.118 53.797 54.840 0.126 0.000 0.812 501 L CB 1.597 43.721 42.059 0.108 0.000 1.264 501 L HN 0.490 nan 8.230 nan 0.000 0.439 502 L N -0.982 120.310 121.223 0.115 0.000 2.671 502 L HA 0.627 4.966 4.340 -0.002 0.000 0.259 502 L C -1.206 175.760 176.870 0.160 0.000 1.021 502 L CA -0.747 54.136 54.840 0.073 0.000 0.871 502 L CB 1.430 43.445 42.059 -0.072 0.000 1.472 502 L HN 0.696 nan 8.230 nan 0.000 0.410 503 W N -0.210 121.158 121.300 0.114 0.000 2.736 503 W HA 0.902 5.560 4.660 -0.003 0.000 0.355 503 W C -0.945 175.625 176.519 0.083 0.000 1.102 503 W CA -0.295 57.116 57.345 0.111 0.000 1.164 503 W CB 1.095 30.691 29.460 0.227 0.000 1.422 503 W HN 0.832 nan 8.180 nan 0.000 0.572 504 T N -0.707 114.064 114.554 0.361 0.000 2.940 504 T HA 0.458 4.807 4.350 -0.002 0.000 0.288 504 T C -0.447 174.525 174.700 0.454 0.000 1.045 504 T CA -1.018 61.201 62.100 0.200 0.000 1.018 504 T CB 1.963 70.874 68.868 0.072 0.000 1.151 504 T HN 0.532 nan 8.240 nan 0.000 0.529 505 L N 2.562 123.956 121.223 0.286 0.000 2.433 505 L HA 0.304 4.642 4.340 -0.002 0.000 0.275 505 L C -2.060 174.935 176.870 0.209 0.000 1.128 505 L CA -1.401 53.626 54.840 0.311 0.000 0.875 505 L CB 0.406 42.579 42.059 0.190 0.000 1.171 505 L HN 0.607 nan 8.230 nan 0.000 0.463 506 P HA 0.157 nan 4.420 nan 0.000 0.274 506 P C -1.091 176.339 177.300 0.217 0.000 1.260 506 P CA -0.230 62.975 63.100 0.176 0.000 0.793 506 P CB 0.631 32.410 31.700 0.131 0.000 1.048 507 E N 0.044 120.395 120.200 0.252 0.000 2.241 507 E HA 0.562 4.910 4.350 -0.002 0.000 0.263 507 E C -1.328 175.407 176.600 0.225 0.000 0.882 507 E CA -0.838 55.693 56.400 0.217 0.000 0.769 507 E CB 0.887 30.657 29.700 0.118 0.000 1.185 507 E HN 0.432 nan 8.360 nan 0.000 0.415 508 A N 5.039 127.961 122.820 0.169 0.000 2.488 508 A HA 0.439 4.757 4.320 -0.002 0.000 0.249 508 A C -0.103 177.398 177.584 -0.138 0.000 1.083 508 A CA 0.022 51.925 52.037 -0.223 0.000 0.768 508 A CB 0.076 18.817 19.000 -0.432 0.000 1.017 508 A HN 0.688 nan 8.150 nan 0.000 0.496 509 Q N 1.330 121.054 119.800 -0.126 0.000 2.587 509 Q HA 0.745 5.083 4.340 -0.002 0.000 0.293 509 Q C 0.325 176.309 176.000 -0.027 0.000 1.083 509 Q CA -0.397 55.372 55.803 -0.056 0.000 0.792 509 Q CB 1.752 30.480 28.738 -0.017 0.000 1.484 509 Q HN 0.582 nan 8.270 nan 0.000 0.446 510 A N 0.569 123.380 122.820 -0.015 0.000 1.898 510 A HA 0.311 4.630 4.320 -0.002 0.000 0.214 510 A C 0.960 178.551 177.584 0.012 0.000 1.183 510 A CA 1.639 53.680 52.037 0.007 0.000 0.622 510 A CB -0.628 18.368 19.000 -0.007 0.000 0.824 510 A HN 0.814 nan 8.150 nan 0.000 0.444 511 G N -1.528 107.272 108.800 -0.000 0.000 3.291 511 G HA2 0.399 4.358 3.960 -0.002 0.000 0.173 511 G HA3 0.399 4.358 3.960 -0.002 0.000 0.173 511 G C 0.418 175.316 174.900 -0.002 0.000 1.099 511 G CA 0.695 45.792 45.100 -0.004 0.000 0.794 511 G HN 0.151 nan 8.290 nan 0.000 0.651 512 E N -0.300 119.901 120.200 0.000 0.000 2.307 512 E HA 0.083 4.432 4.350 -0.002 0.000 0.195 512 E C 1.338 177.946 176.600 0.014 0.000 0.975 512 E CA -0.201 56.204 56.400 0.009 0.000 0.878 512 E CB 0.063 29.768 29.700 0.008 0.000 0.845 512 E HN 0.335 nan 8.360 nan 0.000 0.488 513 R N 1.309 121.812 120.500 0.005 0.000 2.484 513 R HA 0.109 4.448 4.340 -0.002 0.000 0.293 513 R C -0.538 175.757 176.300 -0.007 0.000 1.023 513 R CA -0.049 56.050 56.100 -0.001 0.000 1.037 513 R CB 0.185 30.480 30.300 -0.007 0.000 0.951 513 R HN 0.180 nan 8.270 nan 0.000 0.418 514 I N 8.037 128.595 120.570 -0.020 0.000 2.325 514 I HA 0.221 4.390 4.170 -0.002 0.000 0.291 514 I C -1.790 174.290 176.117 -0.060 0.000 1.019 514 I CA -2.529 58.753 61.300 -0.029 0.000 1.302 514 I CB 1.481 39.460 38.000 -0.035 0.000 1.401 514 I HN 0.513 nan 8.210 nan 0.000 0.485 515 P HA -0.115 nan 4.420 nan 0.000 0.264 515 P C 0.327 177.592 177.300 -0.059 0.000 1.173 515 P CA 0.302 63.381 63.100 -0.036 0.000 0.761 515 P CB 0.536 32.227 31.700 -0.015 0.000 0.794 516 Q N 1.933 121.700 119.800 -0.055 0.000 2.167 516 Q HA -0.198 4.140 4.340 -0.002 0.000 0.202 516 Q C 1.648 177.635 176.000 -0.022 0.000 0.970 516 Q CA 1.249 57.007 55.803 -0.074 0.000 0.855 516 Q CB 0.095 28.799 28.738 -0.057 0.000 0.911 516 Q HN 0.532 nan 8.270 nan 0.000 0.438 517 E N -0.715 119.500 120.200 0.026 0.000 2.385 517 E HA -0.050 4.299 4.350 -0.002 0.000 0.194 517 E C 1.752 178.409 176.600 0.095 0.000 1.013 517 E CA 0.453 56.918 56.400 0.108 0.000 0.866 517 E CB -0.040 29.716 29.700 0.094 0.000 0.832 517 E HN 0.168 nan 8.360 nan 0.000 0.500 518 V N 1.328 121.264 119.914 0.038 0.000 2.379 518 V HA -0.177 3.942 4.120 -0.002 0.000 0.245 518 V C 2.585 178.706 176.094 0.046 0.000 1.044 518 V CA 1.208 63.528 62.300 0.033 0.000 1.036 518 V CB -0.226 31.612 31.823 0.026 0.000 0.664 518 V HN 0.095 nan 8.190 nan 0.000 0.453 519 V N -0.396 119.511 119.914 -0.011 0.000 2.287 519 V HA -0.317 3.802 4.120 -0.002 0.000 0.248 519 V C 2.089 178.257 176.094 0.123 0.000 1.053 519 V CA 2.602 64.867 62.300 -0.059 0.000 1.027 519 V CB -0.655 30.848 31.823 -0.533 0.000 0.646 519 V HN 0.805 nan 8.190 nan 0.000 0.447 520 W N 1.073 122.325 121.300 -0.080 0.000 2.333 520 W HA -0.236 4.422 4.660 -0.003 0.000 0.316 520 W C 2.214 178.755 176.519 0.036 0.000 1.215 520 W CA 1.841 59.174 57.345 -0.019 0.000 1.278 520 W CB -0.233 29.203 29.460 -0.038 0.000 1.154 520 W HN 0.321 nan 8.180 nan 0.000 0.486 521 D N 0.967 121.200 120.400 -0.277 0.000 2.123 521 D HA -0.207 4.432 4.640 -0.002 0.000 0.196 521 D C 2.303 178.455 176.300 -0.246 0.000 0.992 521 D CA 1.755 55.524 54.000 -0.384 0.000 0.833 521 D CB -0.835 39.867 40.800 -0.163 0.000 0.954 521 D HN 0.254 nan 8.370 nan 0.000 0.455 522 L N 0.022 121.203 121.223 -0.069 0.000 2.012 522 L HA -0.188 4.151 4.340 -0.002 0.000 0.210 522 L C 2.406 179.270 176.870 -0.009 0.000 1.073 522 L CA 0.585 55.427 54.840 0.003 0.000 0.748 522 L CB -0.376 41.754 42.059 0.118 0.000 0.891 522 L HN 0.117 nan 8.230 nan 0.000 0.431 523 L N 0.266 121.529 121.223 0.066 0.000 2.017 523 L HA -0.228 4.111 4.340 -0.002 0.000 0.208 523 L C 2.477 179.285 176.870 -0.103 0.000 1.073 523 L CA 1.864 56.774 54.840 0.117 0.000 0.745 523 L CB -0.753 41.513 42.059 0.345 0.000 0.894 523 L HN 0.286 nan 8.230 nan 0.000 0.432 524 E N -0.804 119.101 120.200 -0.492 0.000 2.097 524 E HA -0.273 4.076 4.350 -0.002 0.000 0.196 524 E C 1.884 178.388 176.600 -0.160 0.000 1.000 524 E CA 1.454 57.529 56.400 -0.541 0.000 0.804 524 E CB 0.000 29.131 29.700 -0.948 0.000 0.740 524 E HN 0.507 nan 8.360 nan 0.000 0.454 525 E N -0.214 119.905 120.200 -0.135 0.000 2.118 525 E HA -0.176 4.172 4.350 -0.002 0.000 0.195 525 E C 2.309 178.950 176.600 0.068 0.000 0.992 525 E CA 1.864 58.253 56.400 -0.018 0.000 0.804 525 E CB -0.515 29.159 29.700 -0.043 0.000 0.741 525 E HN 0.557 nan 8.360 nan 0.000 0.458 526 T N -0.919 113.666 114.554 0.051 0.000 2.857 526 T HA -0.006 4.343 4.350 -0.002 0.000 0.266 526 T C 2.250 177.045 174.700 0.159 0.000 1.048 526 T CA 0.440 62.596 62.100 0.092 0.000 1.139 526 T CB -0.413 68.496 68.868 0.068 0.000 0.874 526 T HN 0.029 nan 8.240 nan 0.000 0.455 527 L N -0.905 120.414 121.223 0.160 0.000 1.989 527 L HA -0.026 4.312 4.340 -0.002 0.000 0.211 527 L C 2.789 179.829 176.870 0.284 0.000 1.071 527 L CA 1.766 56.730 54.840 0.206 0.000 0.749 527 L CB -0.531 41.666 42.059 0.230 0.000 0.890 527 L HN 0.443 nan 8.230 nan 0.000 0.431 528 W N 0.098 121.426 121.300 0.047 0.000 2.425 528 W HA -0.142 4.518 4.660 -0.000 0.000 0.277 528 W C 2.380 178.930 176.519 0.052 0.000 1.231 528 W CA 1.041 58.412 57.345 0.043 0.000 1.248 528 W CB 0.132 29.586 29.460 -0.010 0.000 1.117 528 W HN 0.212 nan 8.180 nan 0.000 0.568 529 A N -0.067 122.855 122.820 0.170 0.000 1.873 529 A HA -0.231 4.088 4.320 -0.002 0.000 0.215 529 A C 1.732 179.348 177.584 0.054 0.000 1.186 529 A CA 1.424 53.502 52.037 0.070 0.000 0.616 529 A CB -1.475 17.565 19.000 0.067 0.000 0.823 529 A HN 0.315 nan 8.150 nan 0.000 0.442 530 F N 0.664 120.606 119.950 -0.014 0.000 2.095 530 F HA -0.196 4.329 4.527 -0.002 0.000 0.298 530 F C 2.465 178.216 175.800 -0.082 0.000 1.104 530 F CA 2.093 60.088 58.000 -0.008 0.000 1.232 530 F CB -0.096 38.917 39.000 0.022 0.000 0.987 530 F HN 0.161 nan 8.300 nan 0.000 0.475 531 R N 1.249 121.788 120.500 0.064 0.000 2.105 531 R HA -0.171 4.168 4.340 -0.002 0.000 0.239 531 R C 2.241 178.360 176.300 -0.301 0.000 1.135 531 R CA 1.700 57.680 56.100 -0.201 0.000 0.967 531 R CB -0.630 29.306 30.300 -0.607 0.000 0.861 531 R HN 0.333 nan 8.270 nan 0.000 0.442 532 R N 0.076 120.404 120.500 -0.286 0.000 2.092 532 R HA -0.053 4.286 4.340 -0.002 0.000 0.231 532 R C 2.246 178.438 176.300 -0.180 0.000 1.119 532 R CA 1.131 57.097 56.100 -0.223 0.000 0.970 532 R CB -0.042 30.160 30.300 -0.164 0.000 0.864 532 R HN 0.130 nan 8.270 nan 0.000 0.440 533 K N 0.476 120.761 120.400 -0.192 0.000 2.005 533 K HA 0.077 4.396 4.320 -0.002 0.000 0.206 533 K C 1.475 177.953 176.600 -0.203 0.000 1.044 533 K CA 0.947 57.144 56.287 -0.149 0.000 0.942 533 K CB -0.426 32.059 32.500 -0.025 0.000 0.727 533 K HN 0.064 nan 8.250 nan 0.000 0.439 534 A N 0.343 122.935 122.820 -0.380 0.000 2.372 534 A HA 0.481 4.800 4.320 -0.002 0.000 0.271 534 A C 1.080 178.553 177.584 -0.185 0.000 1.470 534 A CA 0.391 52.242 52.037 -0.311 0.000 0.827 534 A CB -0.220 18.503 19.000 -0.463 0.000 1.405 534 A HN 0.342 nan 8.150 nan 0.000 0.536 535 G N -0.961 107.773 108.800 -0.111 0.000 3.993 535 G HA2 0.494 4.453 3.960 -0.002 0.000 0.294 535 G HA3 0.494 4.453 3.960 -0.002 0.000 0.294 535 G C 0.035 174.907 174.900 -0.048 0.000 1.043 535 G CA 0.072 45.123 45.100 -0.082 0.000 0.839 535 G HN 0.916 nan 8.290 nan 0.000 0.516 536 R N -0.653 119.840 120.500 -0.012 0.000 2.664 536 R HA 0.353 4.691 4.340 -0.002 0.000 0.260 536 R C -1.303 175.102 176.300 0.176 0.000 1.062 536 R CA -1.018 55.118 56.100 0.060 0.000 0.902 536 R CB 0.482 30.835 30.300 0.088 0.000 1.258 536 R HN -0.032 nan 8.270 nan 0.000 0.465 537 L N 2.013 123.304 121.223 0.114 0.000 2.483 537 L HA 0.250 4.588 4.340 -0.002 0.000 0.276 537 L C -1.783 175.130 176.870 0.071 0.000 1.213 537 L CA -1.650 53.263 54.840 0.122 0.000 0.843 537 L CB 0.076 42.199 42.059 0.106 0.000 1.107 537 L HN 0.445 nan 8.230 nan 0.000 0.487 538 P HA 0.038 nan 4.420 nan 0.000 0.270 538 P C 0.168 177.387 177.300 -0.136 0.000 1.223 538 P CA -0.318 62.517 63.100 -0.443 0.000 0.785 538 P CB 0.747 31.969 31.700 -0.797 0.000 0.923 539 S N 1.376 117.023 115.700 -0.089 0.000 2.388 539 S HA 0.047 4.516 4.470 -0.002 0.000 0.223 539 S C 0.711 175.295 174.600 -0.026 0.000 1.034 539 S CA 0.415 58.600 58.200 -0.025 0.000 0.963 539 S CB 0.001 63.201 63.200 -0.000 0.000 0.827 539 S HN 0.450 nan 8.310 nan 0.000 0.481 540 R N 0.541 121.014 120.500 -0.045 0.000 2.604 540 R HA 0.570 4.909 4.340 -0.002 0.000 0.281 540 R C -1.909 174.381 176.300 -0.016 0.000 1.020 540 R CA -0.624 55.469 56.100 -0.012 0.000 0.899 540 R CB 2.269 32.569 30.300 0.000 0.000 1.205 540 R HN 0.265 nan 8.270 nan 0.000 0.450 541 V N 1.730 121.671 119.914 0.045 0.000 2.680 541 V HA 0.605 4.724 4.120 -0.002 0.000 0.309 541 V C -1.079 175.071 176.094 0.094 0.000 1.052 541 V CA -1.133 61.203 62.300 0.059 0.000 0.908 541 V CB 1.681 33.559 31.823 0.093 0.000 1.001 541 V HN 0.605 nan 8.190 nan 0.000 0.431 542 L N 5.338 126.607 121.223 0.076 0.000 2.262 542 L HA 0.664 5.003 4.340 -0.002 0.000 0.288 542 L C -0.827 176.101 176.870 0.097 0.000 1.035 542 L CA -0.417 54.464 54.840 0.068 0.000 0.820 542 L CB 0.586 42.672 42.059 0.045 0.000 1.204 542 L HN 0.695 nan 8.230 nan 0.000 0.424 543 L N 6.577 127.848 121.223 0.079 0.000 2.272 543 L HA 0.482 4.820 4.340 -0.002 0.000 0.289 543 L C -0.515 176.378 176.870 0.039 0.000 1.032 543 L CA 0.074 54.989 54.840 0.125 0.000 0.810 543 L CB 1.270 43.344 42.059 0.026 0.000 1.205 543 L HN 0.456 nan 8.230 nan 0.000 0.422 544 L N 4.303 125.627 121.223 0.168 0.000 2.316 544 L HA 0.578 4.916 4.340 -0.002 0.000 0.280 544 L C -0.005 176.986 176.870 0.203 0.000 1.006 544 L CA -0.600 54.306 54.840 0.109 0.000 0.836 544 L CB 1.433 43.551 42.059 0.099 0.000 1.221 544 L HN 0.515 nan 8.230 nan 0.000 0.418 545 R N 2.229 122.775 120.500 0.077 0.000 2.346 545 R HA 0.208 4.546 4.340 -0.002 0.000 0.311 545 R C -1.006 175.351 176.300 0.095 0.000 0.983 545 R CA -0.651 55.534 56.100 0.142 0.000 0.880 545 R CB 1.728 32.063 30.300 0.057 0.000 1.100 545 R HN 0.557 nan 8.270 nan 0.000 0.453 546 D N 2.508 122.983 120.400 0.125 0.000 2.339 546 D HA 0.352 4.991 4.640 -0.002 0.000 0.256 546 D C 0.527 176.858 176.300 0.052 0.000 1.214 546 D CA 1.381 55.426 54.000 0.074 0.000 0.877 546 D CB 0.567 41.410 40.800 0.072 0.000 1.111 546 D HN 0.769 nan 8.370 nan 0.000 0.478 547 G N 2.173 110.987 108.800 0.024 0.000 2.693 547 G HA2 0.131 4.090 3.960 -0.002 0.000 0.226 547 G HA3 0.131 4.090 3.960 -0.002 0.000 0.226 547 G C 0.111 175.016 174.900 0.007 0.000 1.354 547 G CA -0.151 44.955 45.100 0.011 0.000 0.873 547 G HN 0.883 nan 8.290 nan 0.000 0.562 548 R N -1.160 119.341 120.500 0.002 0.000 2.623 548 R HA 0.756 5.095 4.340 -0.002 0.000 0.271 548 R C 0.850 177.161 176.300 0.017 0.000 1.043 548 R CA 1.087 57.186 56.100 -0.002 0.000 1.083 548 R CB -0.287 30.009 30.300 -0.007 0.000 0.974 548 R HN 2.455 nan 8.270 nan 0.000 0.436 549 V N 3.195 123.117 119.914 0.014 0.000 2.270 549 V HA 0.468 4.587 4.120 -0.002 0.000 0.263 549 V C -1.899 174.224 176.094 0.048 0.000 1.066 549 V CA -2.278 60.051 62.300 0.048 0.000 0.857 549 V CB 0.653 32.487 31.823 0.019 0.000 1.099 549 V HN 0.849 nan 8.190 nan 0.000 0.476 550 P HA 0.267 nan 4.420 nan 0.000 0.263 550 P C 0.446 177.764 177.300 0.029 0.000 1.162 550 P CA 1.133 64.249 63.100 0.026 0.000 0.758 550 P CB 0.210 31.921 31.700 0.019 0.000 0.773 551 Q N 2.904 122.713 119.800 0.015 0.000 2.520 551 Q HA -0.052 4.287 4.340 -0.002 0.000 0.320 551 Q C 0.803 176.811 176.000 0.014 0.000 1.104 551 Q CA 0.993 56.804 55.803 0.013 0.000 1.062 551 Q CB -1.140 27.601 28.738 0.004 0.000 1.005 551 Q HN 0.670 nan 8.270 nan 0.000 0.390 552 D N 0.767 121.181 120.400 0.024 0.000 3.068 552 D HA -0.200 4.439 4.640 -0.002 0.000 0.218 552 D C 0.951 177.254 176.300 0.005 0.000 1.145 552 D CA 1.266 55.276 54.000 0.015 0.000 0.896 552 D CB -1.102 39.697 40.800 -0.002 0.000 1.105 552 D HN 1.057 nan 8.370 nan 0.000 0.423 553 E N -0.427 119.787 120.200 0.024 0.000 2.482 553 E HA -0.055 4.294 4.350 -0.002 0.000 0.196 553 E C 1.182 177.668 176.600 -0.191 0.000 1.047 553 E CA 0.537 56.901 56.400 -0.061 0.000 0.869 553 E CB -0.074 29.595 29.700 -0.052 0.000 0.836 553 E HN 0.300 nan 8.360 nan 0.000 0.520 554 F N -0.058 119.818 119.950 -0.123 0.000 2.698 554 F HA 0.489 5.015 4.527 -0.001 0.000 0.304 554 F C 1.768 177.475 175.800 -0.155 0.000 1.108 554 F CA -0.056 57.846 58.000 -0.163 0.000 1.263 554 F CB 0.734 39.609 39.000 -0.208 0.000 1.013 554 F HN 0.141 nan 8.300 nan 0.000 0.532 555 A N 0.487 123.305 122.820 -0.004 0.000 1.841 555 A HA -0.196 4.123 4.320 -0.002 0.000 0.216 555 A C 2.164 179.688 177.584 -0.100 0.000 1.199 555 A CA 1.634 53.645 52.037 -0.044 0.000 0.621 555 A CB -0.930 18.046 19.000 -0.041 0.000 0.835 555 A HN 0.410 nan 8.150 nan 0.000 0.445 556 L N -0.877 120.275 121.223 -0.119 0.000 2.079 556 L HA -0.195 4.143 4.340 -0.002 0.000 0.210 556 L C 2.850 179.536 176.870 -0.307 0.000 1.081 556 L CA 1.382 56.108 54.840 -0.190 0.000 0.752 556 L CB -0.370 41.610 42.059 -0.131 0.000 0.896 556 L HN 0.465 nan 8.230 nan 0.000 0.433 557 A N 0.005 122.720 122.820 -0.174 0.000 1.845 557 A HA -0.204 4.115 4.320 -0.002 0.000 0.215 557 A C 2.111 179.563 177.584 -0.219 0.000 1.195 557 A CA 1.714 53.695 52.037 -0.093 0.000 0.616 557 A CB -0.809 18.232 19.000 0.068 0.000 0.832 557 A HN 0.460 nan 8.150 nan 0.000 0.443 558 L N -0.767 120.324 121.223 -0.220 0.000 2.141 558 L HA -0.151 4.187 4.340 -0.002 0.000 0.209 558 L C 2.648 179.367 176.870 -0.251 0.000 1.094 558 L CA 1.028 55.614 54.840 -0.424 0.000 0.763 558 L CB -0.695 41.019 42.059 -0.575 0.000 0.908 558 L HN 0.419 nan 8.230 nan 0.000 0.437 559 E N 0.607 120.679 120.200 -0.213 0.000 2.065 559 E HA -0.293 4.056 4.350 -0.002 0.000 0.201 559 E C 2.241 178.710 176.600 -0.219 0.000 1.016 559 E CA 1.782 58.078 56.400 -0.174 0.000 0.818 559 E CB -0.153 29.426 29.700 -0.201 0.000 0.749 559 E HN 0.503 nan 8.360 nan 0.000 0.453 560 A N 1.317 123.865 122.820 -0.452 0.000 1.845 560 A HA -0.170 4.149 4.320 -0.002 0.000 0.215 560 A C 2.450 179.904 177.584 -0.217 0.000 1.195 560 A CA 1.388 53.094 52.037 -0.552 0.000 0.616 560 A CB -0.970 17.111 19.000 -1.532 0.000 0.832 560 A HN 0.202 nan 8.150 nan 0.000 0.443 561 L N -0.650 120.499 121.223 -0.124 0.000 2.064 561 L HA -0.339 4.000 4.340 -0.002 0.000 0.216 561 L C 3.097 180.066 176.870 0.165 0.000 1.077 561 L CA 1.380 56.302 54.840 0.137 0.000 0.766 561 L CB -0.711 41.494 42.059 0.243 0.000 0.890 561 L HN 0.506 nan 8.230 nan 0.000 0.435 562 A N 0.342 123.261 122.820 0.165 0.000 1.849 562 A HA -0.264 4.055 4.320 -0.002 0.000 0.217 562 A C 2.304 179.928 177.584 0.066 0.000 1.202 562 A CA 2.099 54.221 52.037 0.142 0.000 0.629 562 A CB -0.665 18.414 19.000 0.131 0.000 0.834 562 A HN 0.367 nan 8.150 nan 0.000 0.447 563 R N -0.686 119.829 120.500 0.025 0.000 2.115 563 R HA -0.165 4.173 4.340 -0.002 0.000 0.239 563 R C 2.273 178.603 176.300 0.049 0.000 1.133 563 R CA 2.068 58.180 56.100 0.020 0.000 0.935 563 R CB -1.013 29.281 30.300 -0.010 0.000 0.853 563 R HN 0.659 nan 8.270 nan 0.000 0.433 564 E N 0.624 120.868 120.200 0.073 0.000 2.510 564 E HA 0.009 4.358 4.350 -0.002 0.000 0.202 564 E C 1.347 178.007 176.600 0.100 0.000 1.072 564 E CA 0.875 57.342 56.400 0.112 0.000 0.883 564 E CB -1.021 28.785 29.700 0.177 0.000 0.818 564 E HN 0.602 nan 8.360 nan 0.000 0.548 565 G N -0.479 108.368 108.800 0.078 0.000 2.162 565 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.260 565 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.260 565 G C 0.446 175.379 174.900 0.056 0.000 0.976 565 G CA 0.474 45.608 45.100 0.058 0.000 0.655 565 G HN 1.246 nan 8.290 nan 0.000 0.533 566 I N 0.813 121.434 120.570 0.086 0.000 2.331 566 I HA 0.828 4.997 4.170 -0.002 0.000 0.292 566 I C 0.422 176.592 176.117 0.088 0.000 0.998 566 I CA -0.646 60.702 61.300 0.080 0.000 1.267 566 I CB 1.159 39.221 38.000 0.102 0.000 1.386 566 I HN 0.618 nan 8.210 nan 0.000 0.476 567 A N 6.857 129.686 122.820 0.015 0.000 2.271 567 A HA 0.725 5.044 4.320 -0.002 0.000 0.288 567 A C -0.965 176.622 177.584 0.004 0.000 1.094 567 A CA -0.116 51.864 52.037 -0.095 0.000 0.828 567 A CB 0.294 19.213 19.000 -0.135 0.000 1.091 567 A HN 0.966 nan 8.150 nan 0.000 0.493 568 Y N -2.104 118.212 120.300 0.027 0.000 2.689 568 Y HA 0.752 5.301 4.550 -0.002 0.000 0.333 568 Y C -1.528 174.375 175.900 0.005 0.000 1.190 568 Y CA -1.431 56.682 58.100 0.022 0.000 1.063 568 Y CB 1.339 39.819 38.460 0.034 0.000 1.294 568 Y HN 0.522 nan 8.280 nan 0.000 0.466 569 D N 1.419 121.978 120.400 0.264 0.000 2.891 569 D HA 0.378 5.017 4.640 -0.002 0.000 0.224 569 D C -1.672 174.589 176.300 -0.065 0.000 1.321 569 D CA -0.318 53.725 54.000 0.072 0.000 0.929 569 D CB 2.363 43.137 40.800 -0.042 0.000 1.551 569 D HN 0.701 nan 8.370 nan 0.000 0.574 570 L N 2.504 123.626 121.223 -0.168 0.000 2.322 570 L HA 0.777 5.115 4.340 -0.002 0.000 0.279 570 L C -1.168 175.523 176.870 -0.297 0.000 1.036 570 L CA -0.784 53.876 54.840 -0.301 0.000 0.807 570 L CB 1.342 43.161 42.059 -0.400 0.000 1.226 570 L HN 0.226 nan 8.230 nan 0.000 0.433 571 V N 2.475 122.243 119.914 -0.243 0.000 2.610 571 V HA 0.167 4.286 4.120 -0.002 0.000 0.298 571 V C -0.194 175.832 176.094 -0.113 0.000 1.067 571 V CA -0.625 61.586 62.300 -0.148 0.000 0.894 571 V CB 1.806 33.582 31.823 -0.079 0.000 1.015 571 V HN 0.760 nan 8.190 nan 0.000 0.432 572 S N 3.396 119.040 115.700 -0.093 0.000 2.481 572 S HA 0.292 4.761 4.470 -0.002 0.000 0.282 572 S C 0.049 174.610 174.600 -0.065 0.000 1.243 572 S CA -0.157 58.003 58.200 -0.068 0.000 1.078 572 S CB 0.692 63.858 63.200 -0.057 0.000 0.916 572 S HN 0.500 nan 8.310 nan 0.000 0.495 573 V N 6.977 126.867 119.914 -0.039 0.000 2.318 573 V HA 0.335 4.453 4.120 -0.002 0.000 0.271 573 V C 0.286 176.361 176.094 -0.032 0.000 1.030 573 V CA -0.467 61.808 62.300 -0.041 0.000 0.844 573 V CB 0.488 32.305 31.823 -0.010 0.000 1.015 573 V HN 0.701 nan 8.190 nan 0.000 0.460 574 R N 3.954 124.423 120.500 -0.052 0.000 2.387 574 R HA 0.464 4.802 4.340 -0.002 0.000 0.314 574 R C 0.295 176.574 176.300 -0.034 0.000 0.958 574 R CA -0.703 55.374 56.100 -0.038 0.000 0.846 574 R CB 2.057 32.328 30.300 -0.048 0.000 1.147 574 R HN 0.583 nan 8.270 nan 0.000 0.447 575 K N 1.313 121.704 120.400 -0.017 0.000 2.067 575 K HA 0.041 4.359 4.320 -0.002 0.000 0.203 575 K C 1.179 177.773 176.600 -0.010 0.000 1.048 575 K CA 1.013 57.294 56.287 -0.010 0.000 0.954 575 K CB 0.119 32.620 32.500 0.002 0.000 0.737 575 K HN 0.668 nan 8.250 nan 0.000 0.444 576 S N 0.422 116.117 115.700 -0.009 0.000 2.565 576 S HA 0.488 4.957 4.470 -0.002 0.000 0.274 576 S C 0.980 175.568 174.600 -0.018 0.000 1.309 576 S CA -0.039 58.156 58.200 -0.008 0.000 1.043 576 S CB 0.436 63.633 63.200 -0.005 0.000 0.939 576 S HN 0.430 nan 8.310 nan 0.000 0.504 577 G N 0.855 109.646 108.800 -0.015 0.000 2.179 577 G HA2 -0.050 3.909 3.960 -0.002 0.000 0.220 577 G HA3 -0.050 3.909 3.960 -0.002 0.000 0.220 577 G C 0.982 175.866 174.900 -0.026 0.000 0.990 577 G CA 0.427 45.512 45.100 -0.025 0.000 0.646 577 G HN 1.696 nan 8.290 nan 0.000 0.517 578 G N 0.355 109.141 108.800 -0.022 0.000 2.920 578 G HA2 0.518 4.477 3.960 -0.002 0.000 0.208 578 G HA3 0.518 4.477 3.960 -0.002 0.000 0.208 578 G C 1.651 176.544 174.900 -0.011 0.000 1.159 578 G CA 1.514 46.600 45.100 -0.024 0.000 0.784 578 G HN 1.933 nan 8.290 nan 0.000 0.535 579 G N 0.265 109.068 108.800 0.005 0.000 2.574 579 G HA2 -0.264 3.694 3.960 -0.002 0.000 0.295 579 G HA3 -0.264 3.694 3.960 -0.002 0.000 0.295 579 G C 0.047 174.938 174.900 -0.015 0.000 1.300 579 G CA 0.280 45.392 45.100 0.020 0.000 0.944 579 G HN 0.657 nan 8.290 nan 0.000 0.551 580 R N -2.093 118.380 120.500 -0.044 0.000 2.875 580 R HA 0.844 5.183 4.340 -0.002 0.000 0.251 580 R C -0.506 175.613 176.300 -0.302 0.000 1.123 580 R CA -0.654 55.324 56.100 -0.204 0.000 1.064 580 R CB 1.809 31.952 30.300 -0.261 0.000 1.205 580 R HN 0.846 nan 8.270 nan 0.000 0.503 581 V N 2.082 121.678 119.914 -0.530 0.000 2.671 581 V HA 0.348 4.466 4.120 -0.002 0.000 0.292 581 V C -1.716 174.158 176.094 -0.366 0.000 1.115 581 V CA -0.744 61.352 62.300 -0.340 0.000 0.918 581 V CB 1.298 33.042 31.823 -0.131 0.000 1.036 581 V HN 0.590 nan 8.190 nan 0.000 0.445 582 Y N 5.232 125.644 120.300 0.185 0.000 2.429 582 Y HA 0.689 5.238 4.550 -0.002 0.000 0.342 582 Y C -2.366 173.547 175.900 0.021 0.000 1.004 582 Y CA -3.215 55.017 58.100 0.220 0.000 1.075 582 Y CB 1.635 40.285 38.460 0.317 0.000 1.214 582 Y HN 0.396 nan 8.280 nan 0.000 0.455 583 P HA 0.088 nan 4.420 nan 0.000 0.275 583 P C 0.644 177.801 177.300 -0.237 0.000 1.228 583 P CA -0.204 62.873 63.100 -0.039 0.000 0.786 583 P CB 1.282 33.034 31.700 0.086 0.000 0.927 584 V N 0.636 120.293 119.914 -0.428 0.000 2.332 584 V HA -0.164 3.954 4.120 -0.002 0.000 0.248 584 V C 0.963 176.990 176.094 -0.111 0.000 1.055 584 V CA 2.068 64.098 62.300 -0.450 0.000 1.038 584 V CB -0.797 30.831 31.823 -0.326 0.000 0.651 584 V HN 0.658 nan 8.190 nan 0.000 0.450 585 Q N -2.590 117.183 119.800 -0.045 0.000 2.545 585 Q HA 0.508 4.847 4.340 -0.002 0.000 0.273 585 Q C -0.511 175.517 176.000 0.047 0.000 0.975 585 Q CA 0.467 56.293 55.803 0.038 0.000 0.876 585 Q CB 1.633 30.390 28.738 0.031 0.000 1.472 585 Q HN 0.641 nan 8.270 nan 0.000 0.389 586 G N 0.066 108.922 108.800 0.093 0.000 2.582 586 G HA2 0.361 4.320 3.960 -0.002 0.000 0.222 586 G HA3 0.361 4.320 3.960 -0.002 0.000 0.222 586 G C -0.818 174.120 174.900 0.064 0.000 1.311 586 G CA 0.053 45.193 45.100 0.066 0.000 0.915 586 G HN 1.095 nan 8.290 nan 0.000 0.528 587 R N -1.365 119.126 120.500 -0.014 0.000 2.615 587 R HA 0.944 5.283 4.340 -0.002 0.000 0.270 587 R C 0.939 177.180 176.300 -0.098 0.000 1.081 587 R CA 0.878 56.914 56.100 -0.107 0.000 1.154 587 R CB -0.406 29.826 30.300 -0.115 0.000 1.063 587 R HN 2.473 nan 8.270 nan 0.000 0.519 588 L N 1.167 122.283 121.223 -0.178 0.000 2.278 588 L HA 0.793 5.131 4.340 -0.002 0.000 0.287 588 L C 0.998 177.805 176.870 -0.104 0.000 1.072 588 L CA -0.664 54.107 54.840 -0.116 0.000 0.819 588 L CB 0.005 41.985 42.059 -0.131 0.000 1.176 588 L HN 1.434 nan 8.230 nan 0.000 0.435 589 A N 2.608 125.386 122.820 -0.070 0.000 2.371 589 A HA 0.505 4.824 4.320 -0.002 0.000 0.257 589 A C 0.254 177.808 177.584 -0.049 0.000 1.089 589 A CA -0.065 51.938 52.037 -0.056 0.000 0.794 589 A CB 0.141 19.111 19.000 -0.049 0.000 1.029 589 A HN 1.035 nan 8.150 nan 0.000 0.488 590 D N 0.533 120.915 120.400 -0.030 0.000 2.295 590 D HA 0.448 5.086 4.640 -0.002 0.000 0.248 590 D C 0.764 177.021 176.300 -0.071 0.000 1.154 590 D CA 1.319 55.317 54.000 -0.003 0.000 0.857 590 D CB 0.299 41.134 40.800 0.058 0.000 1.117 590 D HN 1.246 nan 8.370 nan 0.000 0.468 591 G N 3.175 111.895 108.800 -0.134 0.000 2.392 591 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.215 591 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.215 591 G C -0.555 174.131 174.900 -0.357 0.000 1.097 591 G CA -0.592 44.196 45.100 -0.519 0.000 0.840 591 G HN 0.447 nan 8.290 nan 0.000 0.492 592 L N 0.679 121.825 121.223 -0.128 0.000 2.331 592 L HA 0.518 4.857 4.340 -0.002 0.000 0.278 592 L C 0.391 177.323 176.870 0.103 0.000 1.106 592 L CA -1.224 53.604 54.840 -0.021 0.000 0.824 592 L CB 0.522 42.570 42.059 -0.018 0.000 1.142 592 L HN 0.347 nan 8.230 nan 0.000 0.443 593 Y N 4.551 124.880 120.300 0.048 0.000 2.434 593 Y HA 0.508 5.056 4.550 -0.002 0.000 0.341 593 Y C -0.636 175.396 175.900 0.221 0.000 0.965 593 Y CA -1.307 56.876 58.100 0.139 0.000 1.205 593 Y CB 0.845 39.355 38.460 0.083 0.000 1.121 593 Y HN 0.239 nan 8.280 nan 0.000 0.507 594 V N 9.643 129.545 119.914 -0.020 0.000 2.257 594 V HA 0.329 4.448 4.120 -0.002 0.000 0.269 594 V C -2.328 173.689 176.094 -0.128 0.000 1.040 594 V CA -2.015 60.211 62.300 -0.125 0.000 0.813 594 V CB 0.424 32.237 31.823 -0.018 0.000 1.065 594 V HN 0.678 nan 8.190 nan 0.000 0.457 595 P HA 0.245 nan 4.420 nan 0.000 0.268 595 P C -0.148 177.168 177.300 0.026 0.000 1.204 595 P CA 0.391 63.427 63.100 -0.107 0.000 0.768 595 P CB 0.953 32.539 31.700 -0.189 0.000 0.842 596 L N 0.659 121.948 121.223 0.110 0.000 2.798 596 L HA 0.537 4.875 4.340 -0.002 0.000 0.230 596 L C 1.735 178.660 176.870 0.091 0.000 1.868 596 L CA -1.062 53.830 54.840 0.086 0.000 2.126 596 L CB -0.894 41.215 42.059 0.084 0.000 2.569 596 L HN 0.244 nan 8.230 nan 0.000 0.592 597 E N 0.774 121.023 120.200 0.082 0.000 3.108 597 E HA -0.104 4.245 4.350 -0.002 0.000 0.359 597 E C -0.436 176.211 176.600 0.079 0.000 1.488 597 E CA 0.756 57.199 56.400 0.071 0.000 1.861 597 E CB -0.865 28.871 29.700 0.060 0.000 0.909 597 E HN 0.640 nan 8.360 nan 0.000 0.559 598 D N -0.386 120.051 120.400 0.062 0.000 2.350 598 D HA 0.242 4.880 4.640 -0.002 0.000 0.249 598 D C -0.352 175.993 176.300 0.074 0.000 1.119 598 D CA -0.058 53.975 54.000 0.055 0.000 0.886 598 D CB 1.057 41.875 40.800 0.030 0.000 1.195 598 D HN 0.599 nan 8.370 nan 0.000 0.437 599 K N -0.333 120.118 120.400 0.084 0.000 3.257 599 K HA -0.185 4.134 4.320 -0.002 0.000 0.270 599 K C -0.504 176.223 176.600 0.212 0.000 0.984 599 K CA 1.022 57.386 56.287 0.128 0.000 0.739 599 K CB -1.724 30.814 32.500 0.062 0.000 1.351 599 K HN 0.799 nan 8.250 nan 0.000 0.463 600 T N -0.185 114.537 114.554 0.280 0.000 3.486 600 T HA 0.547 4.896 4.350 -0.002 0.000 0.375 600 T C -1.484 173.426 174.700 0.349 0.000 1.459 600 T CA -0.776 61.474 62.100 0.249 0.000 1.151 600 T CB 0.735 69.663 68.868 0.100 0.000 1.336 600 T HN 0.328 nan 8.240 nan 0.000 0.477 601 F N 2.787 122.805 119.950 0.112 0.000 2.789 601 F HA 0.885 5.410 4.527 -0.002 0.000 0.319 601 F C -2.025 173.839 175.800 0.107 0.000 1.168 601 F CA -1.455 56.620 58.000 0.125 0.000 0.934 601 F CB 0.727 39.896 39.000 0.282 0.000 1.375 601 F HN 0.566 nan 8.300 nan 0.000 0.480 602 L N 0.951 122.283 121.223 0.183 0.000 2.299 602 L HA 0.811 5.149 4.340 -0.002 0.000 0.268 602 L C -1.517 175.470 176.870 0.195 0.000 1.012 602 L CA -1.420 53.450 54.840 0.050 0.000 0.816 602 L CB 1.944 44.030 42.059 0.046 0.000 1.355 602 L HN 0.684 nan 8.230 nan 0.000 0.457 603 L N 0.714 121.999 121.223 0.102 0.000 2.588 603 L HA 0.498 4.837 4.340 -0.002 0.000 0.263 603 L C -0.775 176.142 176.870 0.078 0.000 0.935 603 L CA -0.051 54.878 54.840 0.149 0.000 0.891 603 L CB 1.584 43.754 42.059 0.183 0.000 1.318 603 L HN 0.363 nan 8.230 nan 0.000 0.409 604 L N 3.342 124.600 121.223 0.060 0.000 2.475 604 L HA 0.765 5.104 4.340 -0.002 0.000 0.253 604 L C 1.243 178.155 176.870 0.071 0.000 1.137 604 L CA 0.343 55.207 54.840 0.041 0.000 1.058 604 L CB -0.407 41.658 42.059 0.010 0.000 1.382 604 L HN 0.975 nan 8.230 nan 0.000 0.416 605 T N -0.571 114.056 114.554 0.122 0.000 3.160 605 T HA 0.575 4.923 4.350 -0.002 0.000 0.257 605 T C 0.771 175.592 174.700 0.201 0.000 1.147 605 T CA 1.567 63.809 62.100 0.237 0.000 1.064 605 T CB -0.609 68.391 68.868 0.219 0.000 0.949 605 T HN 1.934 nan 8.240 nan 0.000 0.526 606 V N -1.474 118.511 119.914 0.119 0.000 3.114 606 V HA 0.891 5.010 4.120 -0.002 0.000 0.308 606 V C -0.593 175.541 176.094 0.067 0.000 1.168 606 V CA -0.522 61.839 62.300 0.102 0.000 1.015 606 V CB 1.389 33.254 31.823 0.070 0.000 1.050 606 V HN 1.005 nan 8.190 nan 0.000 0.433 612 G N 0.170 109.029 108.800 0.098 0.000 2.975 612 G HA2 0.465 4.424 3.960 -0.002 0.000 0.159 612 G HA3 0.465 4.424 3.960 -0.002 0.000 0.159 612 G C -0.245 174.763 174.900 0.180 0.000 1.525 612 G CA 0.854 46.032 45.100 0.131 0.000 1.075 612 G HN 0.627 nan 8.290 nan 0.000 0.574 613 T N 2.166 116.824 114.554 0.174 0.000 2.815 613 T HA 0.523 4.872 4.350 -0.002 0.000 0.289 613 T C -2.582 172.195 174.700 0.128 0.000 1.000 613 T CA -0.585 61.641 62.100 0.211 0.000 0.958 613 T CB 1.702 70.726 68.868 0.259 0.000 0.944 613 T HN 0.181 nan 8.240 nan 0.000 0.442 614 P HA 0.141 nan 4.420 nan 0.000 0.264 614 P C -0.353 176.963 177.300 0.027 0.000 1.183 614 P CA -0.224 62.906 63.100 0.049 0.000 0.763 614 P CB 0.476 32.194 31.700 0.031 0.000 0.807 615 R N 4.031 124.545 120.500 0.022 0.000 2.278 615 R HA 0.323 4.662 4.340 -0.002 0.000 0.322 615 R C -2.281 174.020 176.300 0.003 0.000 1.058 615 R CA -1.744 54.363 56.100 0.011 0.000 0.991 615 R CB 0.384 30.695 30.300 0.019 0.000 1.140 615 R HN 0.382 nan 8.270 nan 0.000 0.518 616 P HA -0.046 nan 4.420 nan 0.000 0.266 616 P C -0.188 177.104 177.300 -0.014 0.000 1.195 616 P CA 0.111 63.207 63.100 -0.006 0.000 0.768 616 P CB 0.631 32.321 31.700 -0.017 0.000 0.838 617 L N 2.682 123.897 121.223 -0.013 0.000 2.397 617 L HA 0.243 4.582 4.340 -0.002 0.000 0.271 617 L C 1.054 177.871 176.870 -0.088 0.000 1.148 617 L CA -0.034 54.782 54.840 -0.040 0.000 0.825 617 L CB 0.282 42.322 42.059 -0.032 0.000 1.117 617 L HN 0.331 nan 8.230 nan 0.000 0.456 618 K N 3.745 124.077 120.400 -0.112 0.000 2.389 618 K HA 0.467 4.786 4.320 -0.002 0.000 0.261 618 K C -1.374 175.085 176.600 -0.235 0.000 1.014 618 K CA -0.706 55.481 56.287 -0.166 0.000 0.920 618 K CB 0.827 33.265 32.500 -0.103 0.000 1.149 618 K HN 0.329 nan 8.250 nan 0.000 0.444 619 L N 3.384 124.333 121.223 -0.457 0.000 2.343 619 L HA 0.477 4.815 4.340 -0.002 0.000 0.275 619 L C -0.562 176.111 176.870 -0.330 0.000 1.056 619 L CA -0.775 53.783 54.840 -0.470 0.000 0.804 619 L CB 1.793 43.375 42.059 -0.795 0.000 1.203 619 L HN 0.238 nan 8.230 nan 0.000 0.440 620 V N 0.572 120.414 119.914 -0.120 0.000 2.488 620 V HA 0.188 4.307 4.120 -0.002 0.000 0.293 620 V C -0.558 175.589 176.094 0.089 0.000 1.027 620 V CA -0.712 61.594 62.300 0.011 0.000 0.862 620 V CB 1.201 33.018 31.823 -0.011 0.000 1.008 620 V HN 0.719 nan 8.190 nan 0.000 0.428 621 H N 2.794 121.927 119.070 0.106 0.000 3.215 621 H HA 0.103 4.658 4.556 -0.002 0.000 0.253 621 H C 0.980 176.332 175.328 0.041 0.000 1.102 621 H CA 0.318 56.424 56.048 0.097 0.000 1.482 621 H CB 0.699 30.540 29.762 0.132 0.000 1.542 621 H HN 0.725 nan 8.280 nan 0.000 0.498 622 E N 3.328 123.563 120.200 0.060 0.000 2.385 622 E HA 0.292 4.641 4.350 -0.002 0.000 0.194 622 E C -0.700 175.962 176.600 0.103 0.000 1.013 622 E CA 0.588 57.015 56.400 0.044 0.000 0.866 622 E CB 0.619 30.271 29.700 -0.079 0.000 0.832 622 E HN 0.686 nan 8.360 nan 0.000 0.500 623 A N -1.297 121.630 122.820 0.178 0.000 2.586 623 A HA 0.637 4.956 4.320 -0.002 0.000 0.296 623 A C -0.208 177.592 177.584 0.361 0.000 1.040 623 A CA -0.345 51.848 52.037 0.260 0.000 0.701 623 A CB 0.526 19.634 19.000 0.179 0.000 1.277 623 A HN 0.350 nan 8.150 nan 0.000 0.413 624 G N 0.574 109.607 108.800 0.389 0.000 2.423 624 G HA2 0.452 4.411 3.960 -0.002 0.000 0.684 624 G HA3 0.452 4.411 3.960 -0.002 0.000 0.684 624 G C -0.623 174.427 174.900 0.249 0.000 1.309 624 G CA 0.526 45.813 45.100 0.312 0.000 0.950 624 G HN 1.802 nan 8.290 nan 0.000 0.587 625 D N -1.035 119.423 120.400 0.097 0.000 2.563 625 D HA 0.198 4.837 4.640 -0.002 0.000 0.237 625 D C 0.544 176.843 176.300 -0.002 0.000 1.282 625 D CA 0.278 54.271 54.000 -0.013 0.000 0.816 625 D CB 0.184 40.958 40.800 -0.043 0.000 1.066 625 D HN 0.444 nan 8.370 nan 0.000 0.501 626 T N 2.616 117.237 114.554 0.111 0.000 2.907 626 T HA 0.316 4.664 4.350 -0.002 0.000 0.298 626 T C -2.453 172.262 174.700 0.026 0.000 1.017 626 T CA -0.776 61.376 62.100 0.086 0.000 1.118 626 T CB 1.351 70.300 68.868 0.136 0.000 0.948 626 T HN 0.002 nan 8.240 nan 0.000 0.531 627 P HA 0.132 nan 4.420 nan 0.000 0.267 627 P C 0.607 177.839 177.300 -0.114 0.000 1.205 627 P CA -0.337 62.714 63.100 -0.082 0.000 0.765 627 P CB 0.426 32.069 31.700 -0.095 0.000 0.828 628 L N 3.197 124.334 121.223 -0.144 0.000 2.081 628 L HA -0.240 4.098 4.340 -0.002 0.000 0.212 628 L C 1.985 178.477 176.870 -0.629 0.000 1.080 628 L CA 1.992 56.649 54.840 -0.305 0.000 0.754 628 L CB -1.280 40.639 42.059 -0.234 0.000 0.893 628 L HN 0.416 nan 8.230 nan 0.000 0.433 629 E N -0.499 119.383 120.200 -0.531 0.000 2.130 629 E HA -0.223 4.126 4.350 -0.002 0.000 0.196 629 E C 2.256 178.572 176.600 -0.474 0.000 0.998 629 E CA 1.391 57.351 56.400 -0.733 0.000 0.806 629 E CB -0.490 28.980 29.700 -0.383 0.000 0.738 629 E HN 0.530 nan 8.360 nan 0.000 0.459 630 A N 0.644 123.305 122.820 -0.265 0.000 1.898 630 A HA -0.035 4.283 4.320 -0.002 0.000 0.214 630 A C 2.174 179.746 177.584 -0.020 0.000 1.183 630 A CA 0.805 52.779 52.037 -0.105 0.000 0.622 630 A CB -0.557 18.405 19.000 -0.064 0.000 0.824 630 A HN 0.148 nan 8.150 nan 0.000 0.444 631 L N -0.465 120.716 121.223 -0.070 0.000 1.970 631 L HA -0.215 4.124 4.340 -0.002 0.000 0.212 631 L C 3.136 180.020 176.870 0.023 0.000 1.071 631 L CA 1.277 56.124 54.840 0.012 0.000 0.751 631 L CB -0.819 41.278 42.059 0.062 0.000 0.889 631 L HN 0.410 nan 8.230 nan 0.000 0.432 632 A N -0.748 121.963 122.820 -0.183 0.000 1.915 632 A HA -0.356 3.963 4.320 -0.002 0.000 0.220 632 A C 2.285 179.920 177.584 0.085 0.000 1.198 632 A CA 2.322 54.320 52.037 -0.065 0.000 0.647 632 A CB -1.291 17.358 19.000 -0.585 0.000 0.825 632 A HN 0.617 nan 8.150 nan 0.000 0.456 633 H N -0.607 118.435 119.070 -0.047 0.000 2.251 633 H HA -0.244 4.311 4.556 -0.002 0.000 0.294 633 H C 2.304 177.840 175.328 0.346 0.000 1.078 633 H CA 2.515 58.671 56.048 0.180 0.000 1.246 633 H CB -0.347 29.487 29.762 0.121 0.000 1.358 633 H HN 0.695 nan 8.280 nan 0.000 0.488 634 Q N 0.076 120.003 119.800 0.213 0.000 2.030 634 Q HA -0.145 4.194 4.340 -0.002 0.000 0.204 634 Q C 2.605 178.583 176.000 -0.036 0.000 0.986 634 Q CA 2.013 57.827 55.803 0.017 0.000 0.843 634 Q CB 0.009 28.768 28.738 0.035 0.000 0.904 634 Q HN 0.463 nan 8.270 nan 0.000 0.420 635 I N 0.593 121.196 120.570 0.056 0.000 2.145 635 I HA -0.297 3.872 4.170 -0.002 0.000 0.244 635 I C 2.337 178.484 176.117 0.050 0.000 1.075 635 I CA 1.521 62.858 61.300 0.062 0.000 1.332 635 I CB -1.398 36.691 38.000 0.148 0.000 1.033 635 I HN 0.346 nan 8.210 nan 0.000 0.410 636 F N 1.749 121.671 119.950 -0.046 0.000 2.171 636 F HA -0.231 4.294 4.527 -0.002 0.000 0.300 636 F C 2.800 178.463 175.800 -0.228 0.000 1.090 636 F CA 1.790 59.718 58.000 -0.120 0.000 1.293 636 F CB -0.589 38.334 39.000 -0.129 0.000 1.013 636 F HN 0.150 nan 8.300 nan 0.000 0.486 637 H N 0.284 119.130 119.070 -0.373 0.000 2.357 637 H HA -0.059 4.496 4.556 -0.002 0.000 0.301 637 H C 2.435 177.497 175.328 -0.444 0.000 1.082 637 H CA 1.859 57.611 56.048 -0.492 0.000 1.342 637 H CB -0.500 29.035 29.762 -0.378 0.000 1.389 637 H HN 0.313 nan 8.280 nan 0.000 0.511 638 L N 0.373 121.450 121.223 -0.242 0.000 2.263 638 L HA -0.179 4.160 4.340 -0.002 0.000 0.216 638 L C 2.489 179.255 176.870 -0.173 0.000 1.111 638 L CA 0.961 55.685 54.840 -0.192 0.000 0.773 638 L CB -0.622 41.358 42.059 -0.132 0.000 0.906 638 L HN 0.233 nan 8.230 nan 0.000 0.439 639 T N -0.479 113.918 114.554 -0.261 0.000 2.699 639 T HA -0.221 4.128 4.350 -0.002 0.000 0.268 639 T C 1.657 176.221 174.700 -0.227 0.000 1.036 639 T CA 1.442 63.391 62.100 -0.253 0.000 1.147 639 T CB -0.166 68.471 68.868 -0.385 0.000 0.862 639 T HN 0.219 nan 8.240 nan 0.000 0.446 640 R N 0.559 120.820 120.500 -0.399 0.000 2.363 640 R HA 0.360 4.699 4.340 -0.002 0.000 0.236 640 R C 1.535 177.777 176.300 -0.096 0.000 0.966 640 R CA 0.008 55.858 56.100 -0.418 0.000 1.100 640 R CB -0.343 29.469 30.300 -0.814 0.000 1.125 640 R HN 0.330 nan 8.270 nan 0.000 0.514 641 L N -0.531 120.672 121.223 -0.032 0.000 2.585 641 L HA 0.209 4.548 4.340 -0.002 0.000 0.226 641 L C -0.234 176.691 176.870 0.093 0.000 1.113 641 L CA -0.106 54.734 54.840 0.000 0.000 0.876 641 L CB 0.185 42.223 42.059 -0.035 0.000 1.072 641 L HN 0.212 nan 8.230 nan 0.000 0.468 642 Y N 1.933 122.259 120.300 0.042 0.000 2.436 642 Y HA 0.141 4.689 4.550 -0.002 0.000 0.336 642 Y C -1.691 174.250 175.900 0.069 0.000 1.049 642 Y CA -2.156 55.989 58.100 0.075 0.000 1.294 642 Y CB 0.809 39.329 38.460 0.099 0.000 1.179 642 Y HN 0.001 nan 8.280 nan 0.000 0.520 643 P HA -0.144 nan 4.420 nan 0.000 0.213 643 P C 0.523 177.626 177.300 -0.328 0.000 1.170 643 P CA 2.327 65.228 63.100 -0.333 0.000 0.893 643 P CB 0.162 31.658 31.700 -0.339 0.000 0.784 644 A N -0.500 121.996 122.820 -0.540 0.000 2.302 644 A HA 0.078 4.397 4.320 -0.002 0.000 0.219 644 A C 2.059 179.662 177.584 0.032 0.000 1.243 644 A CA 0.769 52.687 52.037 -0.199 0.000 0.856 644 A CB -1.287 17.632 19.000 -0.135 0.000 0.893 644 A HN 0.271 nan 8.150 nan 0.000 0.491 645 S N -0.888 114.879 115.700 0.111 0.000 2.355 645 S HA 0.208 4.677 4.470 -0.002 0.000 0.222 645 S C 1.905 176.508 174.600 0.006 0.000 1.031 645 S CA 1.673 60.017 58.200 0.240 0.000 0.993 645 S CB -0.693 62.697 63.200 0.317 0.000 0.859 645 S HN 1.834 nan 8.310 nan 0.000 0.453 646 G N 1.515 110.235 108.800 -0.133 0.000 5.306 646 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.318 646 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.318 646 G C 0.554 175.066 174.900 -0.647 0.000 1.413 646 G CA 0.569 45.444 45.100 -0.376 0.000 0.981 646 G HN 0.725 nan 8.290 nan 0.000 0.788 647 F N 2.748 122.593 119.950 -0.176 0.000 2.688 647 F HA 0.757 5.283 4.527 -0.002 0.000 0.310 647 F C 0.913 176.494 175.800 -0.364 0.000 1.098 647 F CA 0.518 58.385 58.000 -0.221 0.000 1.228 647 F CB 1.288 40.216 39.000 -0.120 0.000 1.042 647 F HN 0.776 nan 8.300 nan 0.000 0.557 648 A N -0.014 122.591 122.820 -0.358 0.000 2.577 648 A HA 0.669 4.988 4.320 -0.002 0.000 0.297 648 A C -1.449 175.849 177.584 -0.476 0.000 1.060 648 A CA -0.534 51.251 52.037 -0.420 0.000 0.697 648 A CB 0.530 19.444 19.000 -0.143 0.000 1.281 648 A HN 0.054 nan 8.150 nan 0.000 0.402 649 F N 1.588 121.529 119.950 -0.015 0.000 2.397 649 F HA 0.603 5.129 4.527 -0.002 0.000 0.331 649 F C -1.845 173.878 175.800 -0.129 0.000 1.090 649 F CA -1.872 56.094 58.000 -0.056 0.000 1.065 649 F CB 0.852 39.802 39.000 -0.083 0.000 1.184 649 F HN 0.310 nan 8.300 nan 0.000 0.499 650 P HA 0.192 nan 4.420 nan 0.000 0.272 650 P C 0.472 177.657 177.300 -0.192 0.000 1.230 650 P CA -0.494 62.407 63.100 -0.332 0.000 0.788 650 P CB 0.864 32.075 31.700 -0.814 0.000 0.949 651 R N 0.620 121.006 120.500 -0.188 0.000 2.115 651 R HA -0.034 4.304 4.340 -0.002 0.000 0.226 651 R C 0.448 176.710 176.300 -0.063 0.000 1.100 651 R CA 1.086 57.139 56.100 -0.078 0.000 0.980 651 R CB -0.357 29.914 30.300 -0.048 0.000 0.875 651 R HN 0.359 nan 8.270 nan 0.000 0.445 652 L N -1.527 119.636 121.223 -0.100 0.000 2.335 652 L HA 0.655 4.994 4.340 -0.002 0.000 0.268 652 L C -2.464 174.374 176.870 -0.052 0.000 1.016 652 L CA -3.167 51.647 54.840 -0.043 0.000 0.805 652 L CB -0.445 41.614 42.059 -0.001 0.000 1.311 652 L HN -0.220 nan 8.230 nan 0.000 0.456 653 P HA 0.119 nan 4.420 nan 0.000 0.267 653 P C 0.250 177.572 177.300 0.038 0.000 1.200 653 P CA 0.259 63.355 63.100 -0.006 0.000 0.772 653 P CB 0.619 32.326 31.700 0.011 0.000 0.855 654 A N 5.759 128.609 122.820 0.050 0.000 1.869 654 A HA -0.189 4.130 4.320 -0.002 0.000 0.218 654 A C -0.460 177.219 177.584 0.159 0.000 1.203 654 A CA 2.196 54.323 52.037 0.150 0.000 0.638 654 A CB -2.574 16.508 19.000 0.135 0.000 0.831 654 A HN 0.492 nan 8.150 nan 0.000 0.450 655 P HA -0.136 nan 4.420 nan 0.000 0.215 655 P C 1.680 179.016 177.300 0.060 0.000 1.157 655 P CA 0.840 63.986 63.100 0.076 0.000 0.868 655 P CB -0.131 31.599 31.700 0.050 0.000 0.788 656 L N -1.913 119.351 121.223 0.068 0.000 2.093 656 L HA -0.195 4.144 4.340 -0.002 0.000 0.208 656 L C 2.559 179.466 176.870 0.062 0.000 1.085 656 L CA 1.631 56.509 54.840 0.063 0.000 0.755 656 L CB -0.713 41.387 42.059 0.069 0.000 0.904 656 L HN 0.082 nan 8.230 nan 0.000 0.435 657 H N -0.198 118.855 119.070 -0.028 0.000 2.389 657 H HA -0.106 4.449 4.556 -0.002 0.000 0.299 657 H C 2.139 177.451 175.328 -0.026 0.000 1.081 657 H CA 1.429 57.433 56.048 -0.073 0.000 1.345 657 H CB 0.079 29.729 29.762 -0.188 0.000 1.393 657 H HN 0.178 nan 8.280 nan 0.000 0.520 658 L N -0.622 120.632 121.223 0.052 0.000 2.056 658 L HA -0.083 4.256 4.340 -0.002 0.000 0.207 658 L C 2.743 179.462 176.870 -0.252 0.000 1.078 658 L CA 0.973 55.840 54.840 0.045 0.000 0.749 658 L CB -0.564 41.628 42.059 0.222 0.000 0.901 658 L HN 0.365 nan 8.230 nan 0.000 0.433 659 A N -0.418 122.296 122.820 -0.177 0.000 1.972 659 A HA -0.260 4.059 4.320 -0.002 0.000 0.219 659 A C 1.938 179.370 177.584 -0.252 0.000 1.169 659 A CA 1.919 53.820 52.037 -0.226 0.000 0.635 659 A CB -0.523 18.410 19.000 -0.112 0.000 0.810 659 A HN 0.382 nan 8.150 nan 0.000 0.446 660 D N -0.394 119.881 120.400 -0.208 0.000 2.088 660 D HA -0.168 4.471 4.640 -0.002 0.000 0.191 660 D C 2.145 178.291 176.300 -0.257 0.000 0.992 660 D CA 1.402 55.288 54.000 -0.190 0.000 0.831 660 D CB -0.107 40.583 40.800 -0.184 0.000 0.973 660 D HN 0.201 nan 8.370 nan 0.000 0.447 661 R N -0.020 120.273 120.500 -0.344 0.000 2.081 661 R HA -0.041 4.298 4.340 -0.002 0.000 0.235 661 R C 2.193 178.216 176.300 -0.461 0.000 1.131 661 R CA 0.598 56.525 56.100 -0.288 0.000 0.960 661 R CB -1.197 29.034 30.300 -0.114 0.000 0.856 661 R HN 0.279 nan 8.270 nan 0.000 0.436 662 L N 0.103 120.706 121.223 -1.034 0.000 1.944 662 L HA -0.206 4.133 4.340 -0.002 0.000 0.218 662 L C 2.003 178.596 176.870 -0.462 0.000 1.075 662 L CA 1.813 55.953 54.840 -1.167 0.000 0.767 662 L CB -1.026 40.277 42.059 -1.259 0.000 0.890 662 L HN 0.025 nan 8.230 nan 0.000 0.434 663 V N -0.090 119.630 119.914 -0.324 0.000 2.313 663 V HA -0.427 3.692 4.120 -0.002 0.000 0.253 663 V C 2.782 178.829 176.094 -0.080 0.000 1.070 663 V CA 2.482 64.705 62.300 -0.128 0.000 1.057 663 V CB -0.639 31.145 31.823 -0.065 0.000 0.653 663 V HN 0.532 nan 8.190 nan 0.000 0.450 664 K N -0.991 119.347 120.400 -0.103 0.000 2.026 664 K HA -0.161 4.158 4.320 -0.002 0.000 0.208 664 K C 2.198 178.795 176.600 -0.005 0.000 1.048 664 K CA 1.427 57.690 56.287 -0.040 0.000 0.929 664 K CB -0.182 32.297 32.500 -0.036 0.000 0.713 664 K HN 0.444 nan 8.250 nan 0.000 0.439 665 E N 0.488 120.683 120.200 -0.009 0.000 2.152 665 E HA -0.105 4.243 4.350 -0.002 0.000 0.192 665 E C 2.121 178.747 176.600 0.042 0.000 0.983 665 E CA 0.691 57.133 56.400 0.068 0.000 0.818 665 E CB -0.013 29.776 29.700 0.148 0.000 0.758 665 E HN 0.054 nan 8.360 nan 0.000 0.467 666 V N 0.765 120.650 119.914 -0.049 0.000 2.343 666 V HA -0.173 3.946 4.120 -0.002 0.000 0.247 666 V C 2.398 178.341 176.094 -0.252 0.000 1.051 666 V CA 1.992 64.174 62.300 -0.197 0.000 1.036 666 V CB -0.929 30.663 31.823 -0.386 0.000 0.654 666 V HN 0.310 nan 8.190 nan 0.000 0.451 667 G N -0.500 108.236 108.800 -0.108 0.000 2.448 667 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.218 667 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.218 667 G C 1.702 176.644 174.900 0.070 0.000 1.135 667 G CA 0.791 45.952 45.100 0.101 0.000 0.784 667 G HN 0.466 nan 8.290 nan 0.000 0.543 668 R N -0.007 120.519 120.500 0.044 0.000 2.062 668 R HA 0.056 4.394 4.340 -0.002 0.000 0.226 668 R C 1.192 177.545 176.300 0.089 0.000 1.125 668 R CA 1.215 57.354 56.100 0.065 0.000 0.966 668 R CB -0.164 30.202 30.300 0.110 0.000 0.861 668 R HN 0.367 nan 8.270 nan 0.000 0.433 669 L N -1.522 119.754 121.223 0.089 0.000 3.255 669 L HA 0.599 4.938 4.340 -0.002 0.000 0.293 669 L C -0.105 176.876 176.870 0.184 0.000 1.302 669 L CA -0.072 54.837 54.840 0.114 0.000 0.977 669 L CB 0.581 42.679 42.059 0.065 0.000 1.390 669 L HN 0.266 nan 8.230 nan 0.000 0.588 670 G N 0.039 108.904 108.800 0.109 0.000 2.731 670 G HA2 -0.236 3.722 3.960 -0.002 0.000 0.686 670 G HA3 -0.236 3.722 3.960 -0.002 0.000 0.686 670 G C 0.193 175.050 174.900 -0.073 0.000 1.395 670 G CA -0.053 45.083 45.100 0.060 0.000 0.870 670 G HN 0.428 nan 8.290 nan 0.000 0.591 671 I N 0.995 121.463 120.570 -0.170 0.000 3.603 671 I HA 0.066 4.235 4.170 -0.002 0.000 0.297 671 I C 2.629 178.650 176.117 -0.160 0.000 1.269 671 I CA 0.765 61.947 61.300 -0.198 0.000 1.361 671 I CB -0.228 37.667 38.000 -0.176 0.000 1.063 671 I HN 0.706 nan 8.210 nan 0.000 0.448 672 R N -0.275 120.062 120.500 -0.273 0.000 2.193 672 R HA -0.153 4.186 4.340 -0.002 0.000 0.229 672 R C 1.407 177.495 176.300 -0.353 0.000 1.110 672 R CA 1.221 57.124 56.100 -0.328 0.000 0.988 672 R CB -0.775 29.292 30.300 -0.387 0.000 0.871 672 R HN 0.500 nan 8.270 nan 0.000 0.458 673 H N 1.106 120.134 119.070 -0.071 0.000 2.497 673 H HA 0.136 4.691 4.556 -0.001 0.000 0.282 673 H C 1.970 177.220 175.328 -0.131 0.000 1.003 673 H CA 0.553 56.543 56.048 -0.096 0.000 1.307 673 H CB 0.160 29.849 29.762 -0.120 0.000 1.437 673 H HN 0.188 nan 8.280 nan 0.000 0.544 674 L N 1.317 122.504 121.223 -0.060 0.000 2.633 674 L HA -0.083 4.255 4.340 -0.002 0.000 0.235 674 L C 2.417 179.323 176.870 0.061 0.000 1.163 674 L CA 0.338 55.130 54.840 -0.081 0.000 0.859 674 L CB -0.268 41.750 42.059 -0.068 0.000 0.973 674 L HN 0.049 nan 8.230 nan 0.000 0.451 675 K N 2.279 122.695 120.400 0.026 0.000 2.020 675 K HA -0.205 4.113 4.320 -0.002 0.000 0.212 675 K C 1.488 178.114 176.600 0.043 0.000 1.050 675 K CA 2.150 58.458 56.287 0.035 0.000 0.929 675 K CB -0.192 32.312 32.500 0.006 0.000 0.714 675 K HN 0.319 nan 8.250 nan 0.000 0.443 676 E N 0.137 120.354 120.200 0.028 0.000 2.598 676 E HA 0.361 4.710 4.350 -0.002 0.000 0.233 676 E C -0.953 175.667 176.600 0.035 0.000 1.173 676 E CA -0.267 56.145 56.400 0.021 0.000 1.473 676 E CB 0.136 29.837 29.700 0.003 0.000 1.398 676 E HN 0.123 nan 8.360 nan 0.000 0.431 677 V N 1.821 121.788 119.914 0.088 0.000 2.409 677 V HA 0.276 4.394 4.120 -0.002 0.000 0.291 677 V C -0.747 175.453 176.094 0.177 0.000 1.020 677 V CA -1.297 61.097 62.300 0.156 0.000 0.848 677 V CB 1.677 33.624 31.823 0.207 0.000 0.990 677 V HN 0.467 nan 8.190 nan 0.000 0.430 678 D N 3.964 124.430 120.400 0.110 0.000 2.458 678 D HA 0.108 4.747 4.640 -0.002 0.000 0.243 678 D C 1.280 177.544 176.300 -0.060 0.000 1.146 678 D CA 0.028 54.030 54.000 0.002 0.000 0.877 678 D CB 0.882 41.683 40.800 0.002 0.000 1.176 678 D HN 0.392 nan 8.370 nan 0.000 0.461 679 R N 1.963 122.227 120.500 -0.394 0.000 2.235 679 R HA -0.105 4.233 4.340 -0.002 0.000 0.213 679 R C 1.346 177.336 176.300 -0.516 0.000 1.059 679 R CA 0.521 56.045 56.100 -0.960 0.000 0.997 679 R CB 0.137 29.901 30.300 -0.894 0.000 0.884 679 R HN 0.557 nan 8.270 nan 0.000 0.462 680 E N 1.357 121.435 120.200 -0.203 0.000 2.481 680 E HA -0.007 4.342 4.350 -0.002 0.000 0.195 680 E C -0.324 176.294 176.600 0.029 0.000 1.047 680 E CA 0.231 56.579 56.400 -0.087 0.000 0.867 680 E CB 0.373 30.007 29.700 -0.110 0.000 0.858 680 E HN 0.139 nan 8.360 nan 0.000 0.513 681 K N 1.045 121.525 120.400 0.134 0.000 2.211 681 K HA 0.280 4.599 4.320 -0.002 0.000 0.275 681 K C -0.453 176.303 176.600 0.260 0.000 1.024 681 K CA -0.317 56.075 56.287 0.175 0.000 0.887 681 K CB 1.382 33.994 32.500 0.187 0.000 1.084 681 K HN 0.064 nan 8.250 nan 0.000 0.463 682 L N 5.989 127.169 121.223 -0.070 0.000 2.449 682 L HA 0.184 4.523 4.340 -0.002 0.000 0.255 682 L C 0.831 177.219 176.870 -0.803 0.000 1.167 682 L CA -0.463 54.014 54.840 -0.606 0.000 1.090 682 L CB -0.523 41.187 42.059 -0.583 0.000 1.385 682 L HN 0.738 nan 8.230 nan 0.000 0.411 683 F N -0.088 119.519 119.950 -0.571 0.000 2.365 683 F HA -0.131 4.395 4.527 -0.002 0.000 0.300 683 F C 1.717 177.326 175.800 -0.319 0.000 1.090 683 F CA 0.451 58.247 58.000 -0.340 0.000 1.408 683 F CB -0.817 38.069 39.000 -0.190 0.000 1.060 683 F HN 0.266 nan 8.300 nan 0.000 0.534 684 F N 1.316 120.823 119.950 -0.738 0.000 2.569 684 F HA 0.273 4.798 4.527 -0.002 0.000 0.295 684 F C 1.281 176.962 175.800 -0.199 0.000 1.115 684 F CA -0.873 56.853 58.000 -0.457 0.000 1.450 684 F CB -1.773 36.815 39.000 -0.686 0.000 1.107 684 F HN -0.024 nan 8.300 nan 0.000 0.563 685 V N 0.000 119.780 119.914 -0.224 0.000 2.409 685 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 685 V CA 0.000 62.304 62.300 0.007 0.000 1.235 685 V CB 0.000 31.754 31.823 -0.115 0.000 1.184 685 V HN 0.000 nan 8.190 nan 0.000 0.556