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 2whq_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGEX DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT A 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.624 176.600 0.040 0.000 1.382 4 E CA 0.000 56.419 56.400 0.031 0.000 0.976 4 E CB 0.000 29.719 29.700 0.031 0.000 0.812 5 D N 5.889 126.321 120.400 0.053 0.000 2.325 5 D HA 0.217 4.884 4.640 0.045 0.000 0.251 5 D C -1.658 174.681 176.300 0.065 0.000 1.196 5 D CA -2.138 51.907 54.000 0.074 0.000 0.866 5 D CB 1.571 42.442 40.800 0.118 0.000 1.101 5 D HN 0.252 nan 8.370 nan 0.000 0.476 6 P HA -0.121 nan 4.420 nan 0.000 0.220 6 P C 1.213 178.524 177.300 0.019 0.000 1.148 6 P CA 0.785 63.899 63.100 0.024 0.000 0.803 6 P CB 0.368 32.069 31.700 0.001 0.000 0.782 7 Q N -0.728 119.065 119.800 -0.011 0.000 2.226 7 Q HA -0.023 4.344 4.340 0.045 0.000 0.204 7 Q C 1.782 177.861 176.000 0.133 0.000 0.975 7 Q CA 1.040 56.812 55.803 -0.052 0.000 0.866 7 Q CB -0.498 28.019 28.738 -0.369 0.000 0.915 7 Q HN 0.393 nan 8.270 nan 0.000 0.440 8 L N -0.025 121.291 121.223 0.155 0.000 2.628 8 L HA 0.235 4.602 4.340 0.045 0.000 0.229 8 L C 0.492 177.546 176.870 0.307 0.000 1.137 8 L CA -0.101 54.854 54.840 0.191 0.000 0.909 8 L CB 0.328 42.425 42.059 0.062 0.000 1.137 8 L HN 0.034 nan 8.230 nan 0.000 0.470 9 L N 0.992 122.353 121.223 0.229 0.000 2.325 9 L HA 0.589 4.956 4.340 0.045 0.000 0.281 9 L C -1.178 175.736 176.870 0.074 0.000 1.004 9 L CA -0.399 54.543 54.840 0.169 0.000 0.823 9 L CB 2.197 44.311 42.059 0.091 0.000 1.236 9 L HN -0.232 nan 8.230 nan 0.000 0.415 10 V N 4.444 124.368 119.914 0.017 0.000 2.841 10 V HA 0.482 4.629 4.120 0.045 0.000 0.310 10 V C -0.463 175.552 176.094 -0.132 0.000 1.090 10 V CA -0.798 61.373 62.300 -0.216 0.000 0.930 10 V CB 2.332 33.746 31.823 -0.681 0.000 1.014 10 V HN 0.724 nan 8.190 nan 0.000 0.425 11 R N 3.008 123.409 120.500 -0.166 0.000 2.255 11 R HA 0.774 5.141 4.340 0.045 0.000 0.326 11 R C -0.740 175.477 176.300 -0.139 0.000 0.986 11 R CA -0.316 55.725 56.100 -0.099 0.000 0.847 11 R CB 1.563 31.809 30.300 -0.090 0.000 1.111 11 R HN 0.718 nan 8.270 nan 0.000 0.452 12 V N 1.586 121.471 119.914 -0.048 0.000 3.177 12 V HA 0.461 4.608 4.120 0.045 0.000 0.319 12 V C 1.280 177.306 176.094 -0.113 0.000 1.125 12 V CA -0.980 61.287 62.300 -0.054 0.000 1.029 12 V CB 1.751 33.672 31.823 0.163 0.000 1.119 12 V HN 0.845 nan 8.190 nan 0.000 0.452 13 R N 0.969 121.388 120.500 -0.135 0.000 2.117 13 R HA -0.107 4.260 4.340 0.045 0.000 0.243 13 R C 2.025 178.187 176.300 -0.229 0.000 1.143 13 R CA 1.881 57.891 56.100 -0.151 0.000 0.968 13 R CB -0.729 29.498 30.300 -0.122 0.000 0.863 13 R HN 0.994 nan 8.270 nan 0.000 0.444 14 G N -0.608 108.007 108.800 -0.309 0.000 2.712 14 G HA2 0.260 4.247 3.960 0.045 0.000 0.212 14 G HA3 0.260 4.247 3.960 0.045 0.000 0.212 14 G C 0.480 174.461 174.900 -1.531 0.000 1.142 14 G CA 0.564 45.186 45.100 -0.797 0.000 0.789 14 G HN 0.607 nan 8.290 nan 0.000 0.535 15 G N -1.195 107.028 108.800 -0.963 0.000 2.278 15 G HA2 0.113 4.100 3.960 0.045 0.000 0.265 15 G HA3 0.113 4.100 3.960 0.045 0.000 0.265 15 G C -1.224 173.641 174.900 -0.058 0.000 1.329 15 G CA -0.872 43.793 45.100 -0.725 0.000 1.017 15 G HN 0.233 nan 8.290 nan 0.000 0.472 16 Q N -0.325 119.612 119.800 0.229 0.000 2.230 16 Q HA 0.708 5.075 4.340 0.045 0.000 0.248 16 Q C -0.552 175.744 176.000 0.495 0.000 0.915 16 Q CA -0.297 55.691 55.803 0.307 0.000 0.900 16 Q CB 2.122 30.970 28.738 0.184 0.000 1.229 16 Q HN 0.469 nan 8.270 nan 0.000 0.439 17 L N 1.273 122.693 121.223 0.328 0.000 2.370 17 L HA 0.605 4.972 4.340 0.045 0.000 0.266 17 L C -0.433 176.606 176.870 0.282 0.000 1.002 17 L CA -0.782 54.245 54.840 0.311 0.000 0.818 17 L CB 2.410 44.682 42.059 0.356 0.000 1.325 17 L HN 0.444 nan 8.230 nan 0.000 0.418 18 R N 0.729 121.376 120.500 0.245 0.000 2.439 18 R HA 0.646 5.012 4.340 0.045 0.000 0.310 18 R C -0.258 176.138 176.300 0.160 0.000 0.955 18 R CA -0.324 55.901 56.100 0.208 0.000 0.853 18 R CB 1.698 32.058 30.300 0.099 0.000 1.171 18 R HN 0.799 nan 8.270 nan 0.000 0.449 19 G N 3.369 112.203 108.800 0.057 0.000 2.531 19 G HA2 0.448 4.435 3.960 0.045 0.000 0.281 19 G HA3 0.448 4.435 3.960 0.045 0.000 0.281 19 G C -0.919 173.758 174.900 -0.373 0.000 1.382 19 G CA -0.712 44.078 45.100 -0.516 0.000 1.045 19 G HN 0.604 nan 8.290 nan 0.000 0.533 20 I N -1.067 119.233 120.570 -0.450 0.000 2.647 20 I HA 0.530 4.727 4.170 0.045 0.000 0.295 20 I C -0.246 175.735 176.117 -0.226 0.000 1.078 20 I CA -1.130 60.013 61.300 -0.261 0.000 1.048 20 I CB 2.184 40.052 38.000 -0.220 0.000 1.239 20 I HN 0.433 nan 8.210 nan 0.000 0.421 21 R N 7.242 127.657 120.500 -0.142 0.000 2.267 21 R HA 0.524 4.891 4.340 0.045 0.000 0.319 21 R C -1.511 174.700 176.300 -0.149 0.000 1.067 21 R CA -0.270 55.745 56.100 -0.143 0.000 0.936 21 R CB 0.567 30.746 30.300 -0.201 0.000 1.006 21 R HN 0.640 nan 8.270 nan 0.000 0.452 22 L N 3.051 124.200 121.223 -0.122 0.000 2.313 22 L HA 0.475 4.842 4.340 0.045 0.000 0.268 22 L C -0.410 176.393 176.870 -0.110 0.000 1.010 22 L CA -1.175 53.607 54.840 -0.096 0.000 0.814 22 L CB 1.676 43.712 42.059 -0.039 0.000 1.304 22 L HN 0.418 nan 8.230 nan 0.000 0.441 23 K N 1.597 121.936 120.400 -0.101 0.000 2.240 23 K HA 0.670 5.017 4.320 0.045 0.000 0.271 23 K C -0.921 175.613 176.600 -0.109 0.000 1.018 23 K CA -0.162 56.066 56.287 -0.098 0.000 0.874 23 K CB 1.473 33.927 32.500 -0.076 0.000 1.098 23 K HN 0.595 nan 8.250 nan 0.000 0.458 24 A N 5.518 128.274 122.820 -0.107 0.000 2.311 24 A HA 0.572 4.919 4.320 0.045 0.000 0.334 24 A C -1.905 175.674 177.584 -0.010 0.000 1.139 24 A CA -1.814 50.152 52.037 -0.118 0.000 0.830 24 A CB 0.617 19.526 19.000 -0.152 0.000 1.234 24 A HN 0.686 nan 8.150 nan 0.000 0.483 25 P HA -0.141 nan 4.420 nan 0.000 0.216 25 P C 1.257 178.582 177.300 0.042 0.000 1.154 25 P CA 2.197 65.342 63.100 0.075 0.000 0.865 25 P CB 0.211 31.984 31.700 0.122 0.000 0.789 26 G N -2.451 106.375 108.800 0.043 0.000 3.088 26 G HA2 0.462 4.449 3.960 0.045 0.000 0.217 26 G HA3 0.462 4.449 3.960 0.045 0.000 0.217 26 G C 0.499 175.410 174.900 0.018 0.000 1.159 26 G CA 0.455 45.574 45.100 0.030 0.000 0.760 26 G HN 0.605 nan 8.290 nan 0.000 0.550 27 G N -0.677 108.125 108.800 0.003 0.000 2.341 27 G HA2 0.400 4.387 3.960 0.045 0.000 0.293 27 G HA3 0.400 4.387 3.960 0.045 0.000 0.293 27 G C -3.497 171.377 174.900 -0.042 0.000 1.298 27 G CA -0.794 44.299 45.100 -0.012 0.000 0.868 27 G HN 0.016 nan 8.290 nan 0.000 0.540 28 P HA 0.570 nan 4.420 nan 0.000 0.279 28 P C -0.131 177.149 177.300 -0.033 0.000 1.252 28 P CA -0.546 62.460 63.100 -0.157 0.000 0.811 28 P CB 1.645 33.083 31.700 -0.437 0.000 1.035 29 V N -1.819 118.087 119.914 -0.014 0.000 3.040 29 V HA 0.687 4.834 4.120 0.045 0.000 0.312 29 V C -0.531 175.654 176.094 0.151 0.000 1.115 29 V CA -0.853 61.525 62.300 0.130 0.000 0.998 29 V CB 1.932 33.835 31.823 0.134 0.000 1.042 29 V HN 0.375 nan 8.190 nan 0.000 0.433 30 S N 2.036 117.886 115.700 0.249 0.000 2.457 30 S HA 0.833 5.330 4.470 0.045 0.000 0.289 30 S C 0.061 174.652 174.600 -0.016 0.000 1.163 30 S CA 0.025 58.303 58.200 0.131 0.000 1.078 30 S CB 1.092 64.463 63.200 0.284 0.000 0.987 30 S HN 1.531 nan 8.310 nan 0.000 0.482 31 A N 3.030 125.652 122.820 -0.329 0.000 2.343 31 A HA 0.818 5.165 4.320 0.045 0.000 0.316 31 A C -1.135 176.027 177.584 -0.703 0.000 1.104 31 A CA -0.637 51.119 52.037 -0.468 0.000 0.768 31 A CB 0.425 19.141 19.000 -0.473 0.000 1.213 31 A HN 0.683 nan 8.150 nan 0.000 0.456 32 F N 2.754 122.538 119.950 -0.277 0.000 2.430 32 F HA 0.478 5.032 4.527 0.045 0.000 0.362 32 F C -0.242 175.374 175.800 -0.306 0.000 1.103 32 F CA -0.334 57.574 58.000 -0.154 0.000 1.045 32 F CB 1.293 40.359 39.000 0.109 0.000 1.276 32 F HN 0.335 nan 8.300 nan 0.000 0.444 33 L N 2.156 123.233 121.223 -0.242 0.000 2.334 33 L HA 0.723 5.090 4.340 0.045 0.000 0.276 33 L C 0.880 177.649 176.870 -0.168 0.000 1.014 33 L CA -1.043 53.591 54.840 -0.344 0.000 0.815 33 L CB 1.770 43.432 42.059 -0.661 0.000 1.268 33 L HN 0.825 nan 8.230 nan 0.000 0.428 34 G N 3.047 111.809 108.800 -0.063 0.000 2.225 34 G HA2 -0.252 3.735 3.960 0.045 0.000 0.264 34 G HA3 -0.252 3.735 3.960 0.045 0.000 0.264 34 G C -0.135 174.800 174.900 0.059 0.000 1.060 34 G CA -0.329 44.745 45.100 -0.044 0.000 0.833 34 G HN 0.485 nan 8.290 nan 0.000 0.498 35 I N 1.700 122.317 120.570 0.080 0.000 2.452 35 I HA 0.241 4.438 4.170 0.045 0.000 0.287 35 I C -1.622 174.548 176.117 0.089 0.000 1.079 35 I CA -2.158 59.166 61.300 0.042 0.000 1.387 35 I CB 1.022 38.987 38.000 -0.058 0.000 1.404 35 I HN -0.048 nan 8.210 nan 0.000 0.522 36 P HA 0.072 nan 4.420 nan 0.000 0.276 36 P C -0.192 177.019 177.300 -0.148 0.000 1.235 36 P CA -0.054 62.884 63.100 -0.270 0.000 0.772 36 P CB 0.377 31.931 31.700 -0.244 0.000 0.871 37 F N 0.908 120.677 119.950 -0.300 0.000 2.706 37 F HA 0.746 5.300 4.527 0.045 0.000 0.313 37 F C 0.058 175.833 175.800 -0.042 0.000 1.096 37 F CA -0.751 57.141 58.000 -0.179 0.000 1.219 37 F CB 0.153 38.948 39.000 -0.341 0.000 1.051 37 F HN 0.300 nan 8.300 nan 0.000 0.568 38 A N 0.173 122.660 122.820 -0.556 0.000 2.556 38 A HA 0.568 4.915 4.320 0.045 0.000 0.294 38 A C -0.785 176.622 177.584 -0.295 0.000 1.091 38 A CA -0.788 51.037 52.037 -0.354 0.000 0.704 38 A CB 0.966 19.676 19.000 -0.484 0.000 1.300 38 A HN 0.077 nan 8.150 nan 0.000 0.406 39 E N 1.456 121.571 120.200 -0.142 0.000 2.465 39 E HA 0.163 4.540 4.350 0.045 0.000 0.260 39 E C -2.276 174.225 176.600 -0.164 0.000 0.980 39 E CA -1.128 55.205 56.400 -0.112 0.000 0.927 39 E CB -0.150 29.523 29.700 -0.045 0.000 0.934 39 E HN 0.236 nan 8.360 nan 0.000 0.459 40 P HA -0.040 nan 4.420 nan 0.000 0.260 40 P C -2.206 175.028 177.300 -0.110 0.000 1.172 40 P CA -0.555 62.459 63.100 -0.143 0.000 0.760 40 P CB -0.037 31.616 31.700 -0.079 0.000 0.773 41 P HA 0.023 nan 4.420 nan 0.000 0.218 41 P C -0.328 176.912 177.300 -0.099 0.000 1.793 41 P CA 0.074 63.117 63.100 -0.095 0.000 0.941 41 P CB -0.045 31.600 31.700 -0.092 0.000 1.919 42 V N -2.829 117.034 119.914 -0.085 0.000 2.994 42 V HA 0.905 5.052 4.120 0.045 0.000 0.318 42 V C 0.943 176.995 176.094 -0.069 0.000 1.085 42 V CA 0.135 62.383 62.300 -0.088 0.000 0.998 42 V CB 0.904 32.681 31.823 -0.075 0.000 1.063 42 V HN 0.533 nan 8.190 nan 0.000 0.447 43 G N 2.571 111.331 108.800 -0.068 0.000 2.574 43 G HA2 -0.347 3.640 3.960 0.045 0.000 0.301 43 G HA3 -0.347 3.640 3.960 0.045 0.000 0.301 43 G C 1.255 176.131 174.900 -0.040 0.000 1.166 43 G CA 1.656 46.730 45.100 -0.044 0.000 0.971 43 G HN 2.367 nan 8.290 nan 0.000 0.542 44 S N 0.565 116.254 115.700 -0.018 0.000 2.515 44 S HA 0.087 4.584 4.470 0.045 0.000 0.231 44 S C 1.947 176.546 174.600 -0.001 0.000 0.987 44 S CA 1.418 59.618 58.200 0.001 0.000 0.936 44 S CB -0.046 63.160 63.200 0.010 0.000 0.766 44 S HN 0.697 nan 8.310 nan 0.000 0.528 45 R N 0.841 121.326 120.500 -0.025 0.000 2.297 45 R HA 0.222 4.589 4.340 0.045 0.000 0.197 45 R C 0.991 177.255 176.300 -0.060 0.000 0.943 45 R CA -0.172 55.912 56.100 -0.026 0.000 1.038 45 R CB -0.086 30.194 30.300 -0.032 0.000 0.957 45 R HN 0.410 nan 8.270 nan 0.000 0.484 46 R N 0.835 121.256 120.500 -0.132 0.000 2.640 46 R HA -0.152 4.215 4.340 0.045 0.000 0.270 46 R C -0.299 175.836 176.300 -0.275 0.000 1.024 46 R CA 0.611 56.508 56.100 -0.339 0.000 1.085 46 R CB 0.145 30.106 30.300 -0.565 0.000 0.963 46 R HN 0.108 nan 8.270 nan 0.000 0.426 47 F N -0.957 119.007 119.950 0.023 0.000 2.778 47 F HA -0.335 4.219 4.527 0.045 0.000 0.399 47 F C 0.195 175.986 175.800 -0.014 0.000 0.604 47 F CA 0.868 58.857 58.000 -0.017 0.000 1.106 47 F CB -1.702 37.276 39.000 -0.036 0.000 1.643 47 F HN 0.469 nan 8.300 nan 0.000 0.290 48 M N 1.078 120.746 119.600 0.112 0.000 2.342 48 M HA 0.408 4.914 4.480 0.045 0.000 0.332 48 M C -1.968 174.363 176.300 0.052 0.000 1.166 48 M CA -1.551 53.797 55.300 0.080 0.000 1.086 48 M CB 0.673 33.308 32.600 0.058 0.000 1.541 48 M HN -0.374 nan 8.290 nan 0.000 0.462 49 P HA 0.031 nan 4.420 nan 0.000 0.267 49 P C -2.437 174.893 177.300 0.051 0.000 1.201 49 P CA -0.422 62.714 63.100 0.061 0.000 0.775 49 P CB -0.512 31.232 31.700 0.074 0.000 0.854 50 P HA 0.189 nan 4.420 nan 0.000 0.274 50 P C -0.673 176.661 177.300 0.057 0.000 1.231 50 P CA -0.007 63.120 63.100 0.045 0.000 0.790 50 P CB 1.026 32.773 31.700 0.079 0.000 0.951 51 E N 1.890 122.108 120.200 0.031 0.000 2.221 51 E HA 0.422 4.799 4.350 0.045 0.000 0.268 51 E C -2.384 174.249 176.600 0.055 0.000 0.933 51 E CA -2.422 54.006 56.400 0.047 0.000 0.809 51 E CB 0.665 30.384 29.700 0.031 0.000 1.190 51 E HN 0.328 nan 8.360 nan 0.000 0.406 52 P HA -0.040 nan 4.420 nan 0.000 0.268 52 P C -0.756 176.608 177.300 0.106 0.000 1.204 52 P CA -0.185 62.993 63.100 0.130 0.000 0.768 52 P CB 0.403 32.184 31.700 0.135 0.000 0.842 53 K N 3.948 124.428 120.400 0.134 0.000 2.484 53 K HA 0.005 4.352 4.320 0.045 0.000 0.280 53 K C 0.032 176.741 176.600 0.181 0.000 1.013 53 K CA 0.424 56.795 56.287 0.140 0.000 1.029 53 K CB 0.130 32.749 32.500 0.198 0.000 0.902 53 K HN 0.277 nan 8.250 nan 0.000 0.481 54 R N 5.002 125.592 120.500 0.149 0.000 2.643 54 R HA 0.132 4.499 4.340 0.045 0.000 0.270 54 R C -1.995 174.417 176.300 0.186 0.000 1.061 54 R CA -1.554 54.625 56.100 0.131 0.000 1.107 54 R CB -0.011 30.350 30.300 0.100 0.000 0.999 54 R HN 0.578 nan 8.270 nan 0.000 0.460 55 P HA -0.088 nan 4.420 nan 0.000 0.267 55 P C -1.188 176.136 177.300 0.040 0.000 1.200 55 P CA 0.177 63.207 63.100 -0.117 0.000 0.772 55 P CB 0.305 31.911 31.700 -0.158 0.000 0.855 56 W N 0.953 122.287 121.300 0.058 0.000 2.719 56 W HA 0.686 5.373 4.660 0.045 0.000 0.352 56 W C -0.542 176.002 176.519 0.043 0.000 1.085 56 W CA -1.009 56.367 57.345 0.051 0.000 1.187 56 W CB 0.066 29.564 29.460 0.063 0.000 1.417 56 W HN 0.370 nan 8.180 nan 0.000 0.557 57 S N 1.486 117.343 115.700 0.262 0.000 2.646 57 S HA 0.788 5.285 4.470 0.045 0.000 0.276 57 S C 0.657 175.405 174.600 0.247 0.000 1.222 57 S CA 0.078 58.374 58.200 0.160 0.000 1.014 57 S CB 0.791 64.058 63.200 0.111 0.000 0.991 57 S HN 2.109 nan 8.310 nan 0.000 0.533 58 G N 0.145 109.040 108.800 0.159 0.000 2.575 58 G HA2 -0.186 3.801 3.960 0.045 0.000 0.267 58 G HA3 -0.186 3.801 3.960 0.045 0.000 0.267 58 G C -0.560 174.480 174.900 0.234 0.000 1.264 58 G CA -0.171 45.024 45.100 0.158 0.000 0.935 58 G HN 1.708 nan 8.290 nan 0.000 0.568 59 V N 0.763 120.789 119.914 0.185 0.000 2.328 59 V HA 0.519 4.666 4.120 0.045 0.000 0.278 59 V C 0.487 176.666 176.094 0.142 0.000 1.021 59 V CA -0.516 61.901 62.300 0.195 0.000 0.838 59 V CB 1.185 33.084 31.823 0.127 0.000 0.999 59 V HN 0.812 nan 8.190 nan 0.000 0.447 60 L N 4.465 125.769 121.223 0.135 0.000 2.410 60 L HA 0.345 4.712 4.340 0.045 0.000 0.273 60 L C 0.302 177.145 176.870 -0.044 0.000 1.144 60 L CA 0.264 55.036 54.840 -0.114 0.000 0.863 60 L CB 0.740 42.448 42.059 -0.586 0.000 1.140 60 L HN 0.768 nan 8.230 nan 0.000 0.463 61 D N 4.539 124.899 120.400 -0.067 0.000 2.338 61 D HA 0.344 5.011 4.640 0.045 0.000 0.255 61 D C -0.228 176.030 176.300 -0.070 0.000 1.237 61 D CA 0.244 54.215 54.000 -0.048 0.000 0.883 61 D CB 0.908 41.672 40.800 -0.059 0.000 1.087 61 D HN 0.639 nan 8.370 nan 0.000 0.485 62 A N 3.359 126.164 122.820 -0.025 0.000 3.219 62 A HA 0.314 4.661 4.320 0.045 0.000 0.314 62 A C 0.910 178.424 177.584 -0.117 0.000 1.081 62 A CA -0.254 51.761 52.037 -0.036 0.000 0.995 62 A CB -0.244 18.823 19.000 0.111 0.000 1.067 62 A HN 0.573 nan 8.150 nan 0.000 0.533 63 T N -3.821 110.639 114.554 -0.157 0.000 3.044 63 T HA 0.333 4.710 4.350 0.045 0.000 0.260 63 T C 0.472 175.019 174.700 -0.254 0.000 1.019 63 T CA 0.554 62.530 62.100 -0.207 0.000 0.921 63 T CB 0.229 69.006 68.868 -0.151 0.000 1.053 63 T HN 0.401 nan 8.240 nan 0.000 0.533 64 T N 0.566 114.966 114.554 -0.257 0.000 2.923 64 T HA 0.587 4.964 4.350 0.045 0.000 0.311 64 T C -1.517 173.030 174.700 -0.255 0.000 1.183 64 T CA -0.775 61.165 62.100 -0.267 0.000 1.020 64 T CB 0.715 69.490 68.868 -0.154 0.000 1.165 64 T HN 0.083 nan 8.240 nan 0.000 0.482 65 F N 3.054 122.936 119.950 -0.113 0.000 2.563 65 F HA 0.308 4.862 4.527 0.045 0.000 0.363 65 F C 1.446 177.147 175.800 -0.166 0.000 1.123 65 F CA 0.011 57.944 58.000 -0.111 0.000 1.307 65 F CB 0.556 39.519 39.000 -0.062 0.000 1.115 65 F HN 0.416 nan 8.300 nan 0.000 0.592 66 Q N 1.466 121.268 119.800 0.003 0.000 2.189 66 Q HA 0.202 4.569 4.340 0.045 0.000 0.193 66 Q C -0.113 175.816 176.000 -0.118 0.000 1.034 66 Q CA -0.650 55.009 55.803 -0.241 0.000 1.062 66 Q CB 0.515 28.826 28.738 -0.712 0.000 1.118 66 Q HN 0.522 nan 8.270 nan 0.000 0.569 67 N N -0.311 118.295 118.700 -0.156 0.000 2.416 67 N HA 0.033 4.800 4.740 0.045 0.000 0.246 67 N C -0.573 174.916 175.510 -0.036 0.000 1.260 67 N CA 0.078 53.081 53.050 -0.078 0.000 0.897 67 N CB 0.422 38.874 38.487 -0.059 0.000 1.110 67 N HN 0.166 nan 8.380 nan 0.000 0.439 68 V N 1.604 121.475 119.914 -0.073 0.000 2.546 68 V HA 0.079 4.226 4.120 0.045 0.000 0.284 68 V C 0.598 176.644 176.094 -0.080 0.000 1.050 68 V CA -0.828 61.417 62.300 -0.092 0.000 0.981 68 V CB 0.938 32.668 31.823 -0.155 0.000 0.990 68 V HN 0.712 nan 8.190 nan 0.000 0.474 69 c N 4.638 123.210 118.600 -0.047 0.000 2.634 69 c HA 0.050 4.646 4.570 0.045 0.000 0.417 69 c C 0.542 174.593 174.090 -0.065 0.000 1.334 69 c CA -0.491 55.819 56.329 -0.033 0.000 1.829 69 c CB -1.110 41.410 42.510 0.016 0.000 2.665 69 c HN 0.756 nan 8.230 nan 0.000 0.614 70 Y N 4.063 124.232 120.300 -0.218 0.000 2.717 70 Y HA 0.251 4.828 4.550 0.045 0.000 0.330 70 Y C 0.761 176.670 175.900 0.015 0.000 1.217 70 Y CA 1.053 59.017 58.100 -0.228 0.000 1.506 70 Y CB 0.167 38.284 38.460 -0.571 0.000 1.268 70 Y HN 0.759 nan 8.280 nan 0.000 0.561 71 Q N 4.313 124.090 119.800 -0.039 0.000 2.578 71 Q HA 0.195 4.562 4.340 0.045 0.000 0.284 71 Q C -1.842 174.261 176.000 0.171 0.000 0.960 71 Q CA -1.176 54.753 55.803 0.211 0.000 0.809 71 Q CB 1.095 29.913 28.738 0.134 0.000 1.462 71 Q HN 0.683 nan 8.270 nan 0.000 0.392 72 Y N 1.161 121.596 120.300 0.226 0.000 2.702 72 Y HA 0.319 4.896 4.550 0.045 0.000 0.336 72 Y C -0.922 175.062 175.900 0.141 0.000 1.235 72 Y CA 0.415 58.624 58.100 0.182 0.000 1.492 72 Y CB 0.888 39.466 38.460 0.197 0.000 1.308 72 Y HN 0.461 nan 8.280 nan 0.000 0.589 73 V N 6.404 125.892 119.914 -0.710 0.000 2.448 73 V HA 0.118 4.265 4.120 0.045 0.000 0.295 73 V C -0.583 175.132 176.094 -0.633 0.000 1.025 73 V CA -1.047 60.974 62.300 -0.464 0.000 0.859 73 V CB 1.517 33.166 31.823 -0.290 0.000 0.988 73 V HN 0.757 nan 8.190 nan 0.000 0.431 74 D N 3.604 123.924 120.400 -0.134 0.000 2.401 74 D HA 0.133 4.800 4.640 0.045 0.000 0.254 74 D C 0.888 177.238 176.300 0.084 0.000 1.192 74 D CA 0.320 54.394 54.000 0.125 0.000 0.885 74 D CB 1.428 42.433 40.800 0.341 0.000 1.147 74 D HN 0.742 nan 8.370 nan 0.000 0.478 75 T N 1.327 115.939 114.554 0.097 0.000 3.231 75 T HA 0.044 4.421 4.350 0.045 0.000 0.292 75 T C 1.505 176.236 174.700 0.052 0.000 1.001 75 T CA -0.490 61.647 62.100 0.063 0.000 0.920 75 T CB -0.113 68.762 68.868 0.013 0.000 1.140 75 T HN 0.232 nan 8.240 nan 0.000 0.525 76 L N 0.822 122.079 121.223 0.057 0.000 2.046 76 L HA 0.231 4.598 4.340 0.045 0.000 0.208 76 L C -0.359 176.248 176.870 -0.438 0.000 1.077 76 L CA 1.542 56.249 54.840 -0.222 0.000 0.747 76 L CB -0.423 41.419 42.059 -0.361 0.000 0.896 76 L HN 0.430 nan 8.230 nan 0.000 0.432 77 Y N 0.000 120.343 120.300 0.071 0.000 2.749 77 Y HA 0.446 5.023 4.550 0.045 0.000 0.343 77 Y C -2.233 173.715 175.900 0.081 0.000 1.015 77 Y CA -3.477 54.636 58.100 0.022 0.000 1.270 77 Y CB -0.033 38.381 38.460 -0.077 0.000 1.097 77 Y HN 0.041 nan 8.280 nan 0.000 0.571 78 P HA 0.078 nan 4.420 nan 0.000 0.261 78 P C 1.035 178.402 177.300 0.112 0.000 1.183 78 P CA 1.472 64.635 63.100 0.106 0.000 0.761 78 P CB 0.650 32.385 31.700 0.059 0.000 0.785 79 G N 2.670 111.523 108.800 0.088 0.000 2.184 79 G HA2 -0.307 3.680 3.960 0.045 0.000 0.264 79 G HA3 -0.307 3.680 3.960 0.045 0.000 0.264 79 G C 0.037 174.980 174.900 0.072 0.000 0.975 79 G CA -0.338 44.793 45.100 0.051 0.000 0.642 79 G HN 0.549 nan 8.290 nan 0.000 0.536 80 F N 1.963 121.883 119.950 -0.049 0.000 2.504 80 F HA 0.544 5.098 4.527 0.045 0.000 0.369 80 F C 1.415 177.126 175.800 -0.148 0.000 1.082 80 F CA -0.360 57.559 58.000 -0.135 0.000 1.216 80 F CB 1.108 39.998 39.000 -0.185 0.000 1.108 80 F HN 0.177 nan 8.300 nan 0.000 0.554 81 E N 4.113 123.888 120.200 -0.709 0.000 2.097 81 E HA -0.151 4.226 4.350 0.045 0.000 0.196 81 E C 2.219 178.320 176.600 -0.831 0.000 1.000 81 E CA 2.111 58.107 56.400 -0.674 0.000 0.804 81 E CB -0.605 28.760 29.700 -0.557 0.000 0.740 81 E HN 0.906 nan 8.360 nan 0.000 0.454 82 G N -1.187 106.572 108.800 -1.735 0.000 2.470 82 G HA2 -0.269 3.718 3.960 0.045 0.000 0.220 82 G HA3 -0.269 3.718 3.960 0.045 0.000 0.220 82 G C 1.620 176.593 174.900 0.121 0.000 1.121 82 G CA 1.607 46.097 45.100 -1.018 0.000 0.766 82 G HN 0.495 nan 8.290 nan 0.000 0.553 83 T N -2.177 112.429 114.554 0.087 0.000 3.046 83 T HA 0.140 4.517 4.350 0.045 0.000 0.242 83 T C 1.897 176.791 174.700 0.323 0.000 1.018 83 T CA 0.627 63.061 62.100 0.557 0.000 1.131 83 T CB 0.055 69.290 68.868 0.610 0.000 0.904 83 T HN 0.107 nan 8.240 nan 0.000 0.459 84 E N 2.273 122.512 120.200 0.065 0.000 2.150 84 E HA -0.081 4.296 4.350 0.045 0.000 0.193 84 E C 2.230 178.754 176.600 -0.126 0.000 0.985 84 E CA 1.325 57.714 56.400 -0.019 0.000 0.814 84 E CB -0.476 29.177 29.700 -0.078 0.000 0.752 84 E HN 0.791 nan 8.360 nan 0.000 0.466 85 M N -2.253 117.183 119.600 -0.272 0.000 2.446 85 M HA -0.061 4.446 4.480 0.045 0.000 0.263 85 M C 1.270 177.177 176.300 -0.656 0.000 1.066 85 M CA 1.344 56.331 55.300 -0.521 0.000 1.087 85 M CB -0.481 31.706 32.600 -0.689 0.000 1.406 85 M HN -0.012 nan 8.290 nan 0.000 0.459 86 W N 0.864 122.110 121.300 -0.091 0.000 2.996 86 W HA 0.266 4.953 4.660 0.044 0.000 0.270 86 W C 0.463 176.904 176.519 -0.131 0.000 1.280 86 W CA -0.841 56.431 57.345 -0.122 0.000 1.549 86 W CB -0.165 29.270 29.460 -0.043 0.000 1.079 86 W HN 0.112 nan 8.180 nan 0.000 0.629 87 N N 1.462 120.194 118.700 0.053 0.000 2.467 87 N HA 0.134 4.901 4.740 0.045 0.000 0.262 87 N C -2.409 173.038 175.510 -0.105 0.000 1.234 87 N CA -1.500 51.543 53.050 -0.013 0.000 0.952 87 N CB -0.224 38.258 38.487 -0.010 0.000 1.158 87 N HN -0.339 nan 8.380 nan 0.000 0.463 88 P HA 0.011 nan 4.420 nan 0.000 0.264 88 P C 0.213 177.418 177.300 -0.158 0.000 1.183 88 P CA 0.187 63.189 63.100 -0.164 0.000 0.763 88 P CB 0.288 31.887 31.700 -0.169 0.000 0.807 89 N N 2.237 120.830 118.700 -0.178 0.000 2.235 89 N HA 0.091 4.858 4.740 0.045 0.000 0.231 89 N C 0.040 175.473 175.510 -0.129 0.000 1.177 89 N CA -0.102 52.853 53.050 -0.159 0.000 0.874 89 N CB 0.456 38.828 38.487 -0.191 0.000 1.097 89 N HN 0.157 nan 8.380 nan 0.000 0.518 90 R N -0.016 120.407 120.500 -0.127 0.000 2.831 90 R HA 0.320 4.687 4.340 0.045 0.000 0.266 90 R C -0.364 175.874 176.300 -0.104 0.000 1.051 90 R CA -0.588 55.455 56.100 -0.096 0.000 0.943 90 R CB 0.804 31.057 30.300 -0.079 0.000 1.228 90 R HN 0.124 nan 8.270 nan 0.000 0.467 91 E N 1.622 121.770 120.200 -0.086 0.000 2.442 91 E HA 0.056 4.433 4.350 0.045 0.000 0.262 91 E C 0.049 176.586 176.600 -0.106 0.000 1.004 91 E CA 0.126 56.474 56.400 -0.087 0.000 0.928 91 E CB 0.548 30.211 29.700 -0.061 0.000 0.937 91 E HN 0.264 nan 8.360 nan 0.000 0.446 92 L N 1.803 122.941 121.223 -0.142 0.000 2.426 92 L HA 0.160 4.527 4.340 0.045 0.000 0.271 92 L C 0.729 177.581 176.870 -0.031 0.000 1.169 92 L CA 0.265 54.984 54.840 -0.201 0.000 0.836 92 L CB 0.655 42.402 42.059 -0.521 0.000 1.112 92 L HN 0.385 nan 8.230 nan 0.000 0.465 93 S N 0.663 116.371 115.700 0.014 0.000 2.543 93 S HA 0.188 4.685 4.470 0.045 0.000 0.274 93 S C 0.241 174.838 174.600 -0.004 0.000 1.149 93 S CA -0.671 57.565 58.200 0.059 0.000 0.866 93 S CB 1.550 64.756 63.200 0.011 0.000 1.111 93 S HN 0.739 nan 8.310 nan 0.000 0.457 94 E N 0.977 121.122 120.200 -0.093 0.000 2.208 94 E HA -0.078 4.299 4.350 0.045 0.000 0.193 94 E C -0.209 176.331 176.600 -0.100 0.000 0.988 94 E CA 0.509 56.790 56.400 -0.198 0.000 0.828 94 E CB 0.079 29.602 29.700 -0.294 0.000 0.763 94 E HN 0.538 nan 8.360 nan 0.000 0.478 95 D N 0.517 120.892 120.400 -0.042 0.000 2.455 95 D HA -0.028 4.639 4.640 0.045 0.000 0.234 95 D C 0.075 176.453 176.300 0.130 0.000 1.224 95 D CA -0.151 53.860 54.000 0.018 0.000 0.999 95 D CB -0.073 40.751 40.800 0.041 0.000 1.072 95 D HN 0.167 nan 8.370 nan 0.000 0.514 96 c N 2.393 121.043 118.600 0.083 0.000 3.865 96 c HA 0.363 4.960 4.570 0.045 0.000 0.297 96 c C 0.637 174.803 174.090 0.128 0.000 1.758 96 c CA -0.678 55.762 56.329 0.186 0.000 1.778 96 c CB -1.222 41.334 42.510 0.076 0.000 3.158 96 c HN 0.421 nan 8.230 nan 0.000 0.598 97 L N 2.580 123.629 121.223 -0.290 0.000 2.395 97 L HA 0.411 4.778 4.340 0.045 0.000 0.268 97 L C -0.942 175.326 176.870 -1.003 0.000 1.223 97 L CA 0.443 54.905 54.840 -0.631 0.000 1.093 97 L CB -0.629 40.891 42.059 -0.900 0.000 1.349 97 L HN 0.392 nan 8.230 nan 0.000 0.427 98 Y N 1.951 122.229 120.300 -0.036 0.000 2.545 98 Y HA 0.648 5.225 4.550 0.045 0.000 0.348 98 Y C -0.078 176.007 175.900 0.308 0.000 1.002 98 Y CA -1.251 56.904 58.100 0.092 0.000 1.039 98 Y CB 2.001 40.465 38.460 0.007 0.000 1.271 98 Y HN 0.202 nan 8.280 nan 0.000 0.467 99 L N -0.223 121.180 121.223 0.300 0.000 2.283 99 L HA 0.778 5.145 4.340 0.045 0.000 0.259 99 L C -1.250 175.621 176.870 0.002 0.000 1.027 99 L CA -1.160 53.736 54.840 0.094 0.000 0.828 99 L CB 1.674 43.612 42.059 -0.202 0.000 1.380 99 L HN 0.472 nan 8.230 nan 0.000 0.425 100 N N 0.028 118.727 118.700 -0.002 0.000 2.238 100 N HA 0.719 5.486 4.740 0.045 0.000 0.302 100 N C -1.540 173.860 175.510 -0.184 0.000 1.072 100 N CA -0.420 52.541 53.050 -0.149 0.000 0.792 100 N CB 2.883 41.280 38.487 -0.150 0.000 1.425 100 N HN 0.499 nan 8.380 nan 0.000 0.478 101 V N 1.516 121.249 119.914 -0.301 0.000 2.577 101 V HA 0.453 4.600 4.120 0.045 0.000 0.303 101 V C -0.773 175.242 176.094 -0.132 0.000 1.042 101 V CA -0.803 61.411 62.300 -0.144 0.000 0.872 101 V CB 2.098 33.711 31.823 -0.350 0.000 0.998 101 V HN 0.544 nan 8.190 nan 0.000 0.423 102 W N 2.932 124.328 121.300 0.160 0.000 2.520 102 W HA 0.696 5.383 4.660 0.046 0.000 0.323 102 W C 0.221 176.851 176.519 0.185 0.000 1.062 102 W CA -0.430 57.015 57.345 0.166 0.000 1.215 102 W CB 2.399 31.933 29.460 0.122 0.000 1.340 102 W HN 0.650 nan 8.180 nan 0.000 0.516 103 T N -0.047 114.761 114.554 0.424 0.000 2.883 103 T HA 0.518 4.895 4.350 0.045 0.000 0.296 103 T C -2.874 172.000 174.700 0.290 0.000 1.117 103 T CA -2.453 59.850 62.100 0.338 0.000 1.006 103 T CB 2.222 71.309 68.868 0.366 0.000 1.191 103 T HN -0.083 nan 8.240 nan 0.000 0.508 104 P HA 0.201 nan 4.420 nan 0.000 0.267 104 P C -1.564 175.876 177.300 0.232 0.000 1.200 104 P CA -0.139 63.079 63.100 0.197 0.000 0.772 104 P CB 0.048 31.833 31.700 0.143 0.000 0.855 105 Y N 3.719 124.076 120.300 0.095 0.000 2.328 105 Y HA 0.440 5.017 4.550 0.045 0.000 0.333 105 Y C -2.233 173.701 175.900 0.058 0.000 0.958 105 Y CA -2.640 55.508 58.100 0.080 0.000 1.167 105 Y CB 0.999 39.494 38.460 0.057 0.000 1.151 105 Y HN 0.364 nan 8.280 nan 0.000 0.470 106 P HA 0.170 nan 4.420 nan 0.000 0.274 106 P C -1.209 176.055 177.300 -0.061 0.000 1.246 106 P CA -0.556 62.396 63.100 -0.247 0.000 0.795 106 P CB 0.618 32.224 31.700 -0.157 0.000 1.006 107 R N 0.792 121.254 120.500 -0.063 0.000 2.543 107 R HA 0.316 4.683 4.340 0.045 0.000 0.277 107 R C -2.214 174.109 176.300 0.038 0.000 1.074 107 R CA -1.416 54.710 56.100 0.043 0.000 1.076 107 R CB -1.016 29.327 30.300 0.072 0.000 0.993 107 R HN 0.272 nan 8.270 nan 0.000 0.459 108 P HA -0.124 nan 4.420 nan 0.000 0.261 108 P C -0.158 177.161 177.300 0.031 0.000 1.165 108 P CA 0.678 63.811 63.100 0.054 0.000 0.759 108 P CB 0.716 32.459 31.700 0.071 0.000 0.772 109 A N 2.839 125.672 122.820 0.021 0.000 1.968 109 A HA 0.021 4.368 4.320 0.045 0.000 0.217 109 A C 0.921 178.510 177.584 0.009 0.000 1.169 109 A CA 1.439 53.482 52.037 0.010 0.000 0.638 109 A CB -0.474 18.531 19.000 0.008 0.000 0.812 109 A HN 0.616 nan 8.150 nan 0.000 0.446 110 S N -1.193 114.516 115.700 0.015 0.000 2.600 110 S HA 0.633 5.130 4.470 0.045 0.000 0.300 110 S C -3.224 171.387 174.600 0.019 0.000 1.087 110 S CA -1.948 56.258 58.200 0.011 0.000 0.965 110 S CB 1.273 64.477 63.200 0.006 0.000 1.089 110 S HN -0.027 nan 8.310 nan 0.000 0.496 111 P HA 0.172 nan 4.420 nan 0.000 0.261 111 P C -0.658 176.656 177.300 0.024 0.000 1.183 111 P CA 0.411 63.523 63.100 0.021 0.000 0.761 111 P CB 0.087 31.792 31.700 0.008 0.000 0.785 112 T N 5.530 120.110 114.554 0.042 0.000 2.823 112 T HA 0.411 4.788 4.350 0.045 0.000 0.279 112 T C -2.439 172.289 174.700 0.046 0.000 0.998 112 T CA -1.905 60.221 62.100 0.045 0.000 0.994 112 T CB 0.938 69.846 68.868 0.067 0.000 0.960 112 T HN 0.132 nan 8.240 nan 0.000 0.448 113 P HA 0.094 nan 4.420 nan 0.000 0.264 113 P C -0.917 176.421 177.300 0.064 0.000 1.179 113 P CA -0.096 63.021 63.100 0.028 0.000 0.763 113 P CB 0.351 32.052 31.700 0.002 0.000 0.806 114 V N 4.964 124.931 119.914 0.089 0.000 2.459 114 V HA 0.311 4.458 4.120 0.045 0.000 0.295 114 V C 0.145 176.325 176.094 0.144 0.000 1.029 114 V CA -0.507 61.870 62.300 0.129 0.000 0.874 114 V CB 1.370 33.283 31.823 0.149 0.000 0.985 114 V HN 0.282 nan 8.190 nan 0.000 0.438 115 L N 5.864 127.187 121.223 0.166 0.000 2.307 115 L HA 0.589 4.956 4.340 0.045 0.000 0.284 115 L C -0.328 176.783 176.870 0.401 0.000 1.023 115 L CA 0.055 55.023 54.840 0.212 0.000 0.810 115 L CB 1.573 43.643 42.059 0.019 0.000 1.231 115 L HN 0.459 nan 8.230 nan 0.000 0.423 116 I N 2.553 123.399 120.570 0.459 0.000 2.382 116 I HA 0.207 4.404 4.170 0.045 0.000 0.285 116 I C -0.766 175.627 176.117 0.460 0.000 1.007 116 I CA -0.482 61.058 61.300 0.400 0.000 1.142 116 I CB 1.136 39.244 38.000 0.181 0.000 1.289 116 I HN 0.634 nan 8.210 nan 0.000 0.453 117 W N 8.439 129.841 121.300 0.169 0.000 2.315 117 W HA 0.566 5.253 4.660 0.044 0.000 0.316 117 W C -1.439 174.974 176.519 -0.177 0.000 1.211 117 W CA -0.513 56.693 57.345 -0.231 0.000 1.201 117 W CB 1.176 30.526 29.460 -0.183 0.000 1.184 117 W HN 0.350 nan 8.180 nan 0.000 0.544 118 I N 8.805 128.671 120.570 -1.173 0.000 2.439 118 I HA 0.068 4.265 4.170 0.045 0.000 0.283 118 I C -0.340 174.987 176.117 -1.317 0.000 1.023 118 I CA -1.093 59.634 61.300 -0.955 0.000 1.100 118 I CB 0.867 38.477 38.000 -0.650 0.000 1.238 118 I HN 0.303 nan 8.210 nan 0.000 0.445 119 Y N 4.518 124.381 120.300 -0.728 0.000 2.385 119 Y HA 0.688 5.264 4.550 0.045 0.000 0.346 119 Y C 0.776 176.513 175.900 -0.273 0.000 1.270 119 Y CA -0.651 57.154 58.100 -0.493 0.000 1.472 119 Y CB -0.049 38.348 38.460 -0.106 0.000 1.354 119 Y HN 0.509 nan 8.280 nan 0.000 0.611 120 G N -1.239 107.594 108.800 0.054 0.000 2.828 120 G HA2 0.502 4.489 3.960 0.045 0.000 0.244 120 G HA3 0.502 4.489 3.960 0.045 0.000 0.244 120 G C 0.246 175.104 174.900 -0.070 0.000 1.365 120 G CA -0.979 44.072 45.100 -0.083 0.000 1.041 120 G HN 1.694 nan 8.290 nan 0.000 0.560 121 G N -2.790 105.803 108.800 -0.345 0.000 2.165 121 G HA2 0.398 4.385 3.960 0.045 0.000 0.144 121 G HA3 0.398 4.385 3.960 0.045 0.000 0.144 121 G C 1.096 175.451 174.900 -0.908 0.000 1.049 121 G CA 0.767 45.537 45.100 -0.550 0.000 0.741 121 G HN 2.378 nan 8.290 nan 0.000 0.493 122 G N -0.687 107.559 108.800 -0.924 0.000 2.166 122 G HA2 -0.128 3.859 3.960 0.045 0.000 0.260 122 G HA3 -0.128 3.859 3.960 0.045 0.000 0.260 122 G C 0.903 175.483 174.900 -0.533 0.000 0.986 122 G CA 0.845 45.138 45.100 -1.345 0.000 0.683 122 G HN 1.778 nan 8.290 nan 0.000 0.527 123 F N -3.293 116.500 119.950 -0.262 0.000 2.794 123 F HA -0.299 4.255 4.527 0.045 0.000 0.335 123 F C 1.413 177.326 175.800 0.189 0.000 0.653 123 F CA 2.142 60.139 58.000 -0.006 0.000 1.266 123 F CB -2.031 36.833 39.000 -0.227 0.000 1.666 123 F HN 0.938 nan 8.300 nan 0.000 0.314 124 Y N -0.896 119.512 120.300 0.180 0.000 2.500 124 Y HA 0.670 5.246 4.550 0.045 0.000 0.246 124 Y C 0.554 176.567 175.900 0.188 0.000 1.146 124 Y CA 0.212 58.454 58.100 0.238 0.000 1.230 124 Y CB 0.034 38.617 38.460 0.205 0.000 1.214 124 Y HN 0.118 nan 8.280 nan 0.000 0.526 125 S N -0.920 114.617 115.700 -0.272 0.000 2.661 125 S HA 0.851 5.348 4.470 0.045 0.000 0.268 125 S C -0.233 174.219 174.600 -0.248 0.000 1.162 125 S CA -0.434 57.624 58.200 -0.236 0.000 0.817 125 S CB 1.389 64.361 63.200 -0.381 0.000 1.141 125 S HN 1.427 nan 8.310 nan 0.000 0.477 126 G N -0.541 108.080 108.800 -0.299 0.000 2.440 126 G HA2 0.559 4.546 3.960 0.045 0.000 0.684 126 G HA3 0.559 4.546 3.960 0.045 0.000 0.684 126 G C -0.621 173.683 174.900 -0.994 0.000 1.309 126 G CA -0.263 44.514 45.100 -0.539 0.000 0.931 126 G HN 2.332 nan 8.290 nan 0.000 0.612 127 A N -1.251 120.824 122.820 -1.242 0.000 2.594 127 A HA 0.985 5.332 4.320 0.045 0.000 0.296 127 A C 0.545 177.907 177.584 -0.370 0.000 1.056 127 A CA 0.693 52.217 52.037 -0.855 0.000 0.693 127 A CB 0.814 19.576 19.000 -0.396 0.000 1.278 127 A HN 2.593 nan 8.150 nan 0.000 0.408 128 A N 0.442 123.286 122.820 0.042 0.000 2.206 128 A HA 0.271 4.618 4.320 0.045 0.000 0.211 128 A C 1.680 179.296 177.584 0.054 0.000 1.158 128 A CA 1.746 53.986 52.037 0.337 0.000 0.761 128 A CB -0.584 18.690 19.000 0.456 0.000 0.801 128 A HN 1.827 nan 8.150 nan 0.000 0.473 129 S N -0.471 115.026 115.700 -0.337 0.000 2.575 129 S HA 0.294 4.791 4.470 0.045 0.000 0.215 129 S C 0.518 174.699 174.600 -0.699 0.000 0.966 129 S CA -0.449 57.123 58.200 -1.046 0.000 0.911 129 S CB -0.594 61.944 63.200 -1.104 0.000 0.780 129 S HN 0.390 nan 8.310 nan 0.000 0.514 130 L N 2.449 123.403 121.223 -0.447 0.000 2.514 130 L HA 0.105 4.472 4.340 0.045 0.000 0.280 130 L C 1.159 177.693 176.870 -0.561 0.000 1.223 130 L CA -0.442 54.060 54.840 -0.563 0.000 0.864 130 L CB 0.167 41.738 42.059 -0.814 0.000 1.118 130 L HN 0.079 nan 8.230 nan 0.000 0.494 131 D N 1.397 121.515 120.400 -0.470 0.000 2.133 131 D HA -0.159 4.508 4.640 0.045 0.000 0.195 131 D C 1.979 178.010 176.300 -0.448 0.000 0.997 131 D CA 1.505 55.296 54.000 -0.348 0.000 0.840 131 D CB -0.121 40.513 40.800 -0.278 0.000 0.947 131 D HN 0.553 nan 8.370 nan 0.000 0.452 132 V N -1.433 118.069 119.914 -0.687 0.000 3.241 132 V HA -0.142 4.005 4.120 0.045 0.000 0.269 132 V C 0.962 176.493 176.094 -0.939 0.000 1.151 132 V CA 0.994 62.862 62.300 -0.719 0.000 1.158 132 V CB -1.188 30.179 31.823 -0.760 0.000 0.764 132 V HN 0.070 nan 8.190 nan 0.000 0.508 133 Y N -0.110 119.632 120.300 -0.930 0.000 2.555 133 Y HA 0.443 5.020 4.550 0.045 0.000 0.259 133 Y C 0.897 176.202 175.900 -0.990 0.000 1.179 133 Y CA -1.933 55.247 58.100 -1.532 0.000 1.230 133 Y CB -0.642 37.269 38.460 -0.915 0.000 1.146 133 Y HN 0.248 nan 8.280 nan 0.000 0.526 134 D N 0.939 121.059 120.400 -0.466 0.000 2.412 134 D HA 0.032 4.699 4.640 0.045 0.000 0.257 134 D C 1.348 177.345 176.300 -0.506 0.000 1.217 134 D CA 0.514 54.303 54.000 -0.350 0.000 0.897 134 D CB 1.268 42.004 40.800 -0.106 0.000 1.132 134 D HN 0.465 nan 8.370 nan 0.000 0.493 135 G N 4.176 112.091 108.800 -1.475 0.000 3.088 135 G HA2 -0.142 3.845 3.960 0.045 0.000 0.212 135 G HA3 -0.142 3.845 3.960 0.045 0.000 0.212 135 G C 1.491 175.856 174.900 -0.893 0.000 1.173 135 G CA -0.111 44.330 45.100 -1.099 0.000 0.779 135 G HN 0.582 nan 8.290 nan 0.000 0.540 136 R N -0.372 119.549 120.500 -0.966 0.000 2.115 136 R HA 0.010 4.377 4.340 0.045 0.000 0.230 136 R C 1.545 177.585 176.300 -0.432 0.000 1.111 136 R CA 0.902 56.655 56.100 -0.579 0.000 0.976 136 R CB -0.694 29.283 30.300 -0.538 0.000 0.870 136 R HN 0.327 nan 8.270 nan 0.000 0.445 137 F N 1.735 121.595 119.950 -0.150 0.000 2.128 137 F HA 0.041 4.595 4.527 0.046 0.000 0.295 137 F C 2.408 178.153 175.800 -0.092 0.000 1.100 137 F CA 0.798 58.737 58.000 -0.103 0.000 1.260 137 F CB -0.588 38.343 39.000 -0.116 0.000 1.009 137 F HN -0.152 nan 8.300 nan 0.000 0.476 138 L N -0.089 121.165 121.223 0.052 0.000 2.046 138 L HA -0.214 4.153 4.340 0.045 0.000 0.208 138 L C 2.744 179.624 176.870 0.017 0.000 1.077 138 L CA 1.235 56.068 54.840 -0.011 0.000 0.747 138 L CB -1.023 40.982 42.059 -0.089 0.000 0.896 138 L HN 0.177 nan 8.230 nan 0.000 0.432 139 A N -0.976 121.862 122.820 0.029 0.000 1.877 139 A HA -0.245 4.101 4.320 0.045 0.000 0.216 139 A C 2.301 179.930 177.584 0.074 0.000 1.186 139 A CA 1.599 53.688 52.037 0.087 0.000 0.620 139 A CB -0.526 18.572 19.000 0.163 0.000 0.822 139 A HN 0.394 nan 8.150 nan 0.000 0.443 140 Q N -0.139 119.688 119.800 0.044 0.000 2.016 140 Q HA -0.093 4.274 4.340 0.045 0.000 0.200 140 Q C 2.246 178.277 176.000 0.051 0.000 0.978 140 Q CA 2.085 57.917 55.803 0.048 0.000 0.833 140 Q CB -0.379 28.370 28.738 0.018 0.000 0.895 140 Q HN 0.411 nan 8.270 nan 0.000 0.427 141 V N 1.318 121.263 119.914 0.051 0.000 2.379 141 V HA -0.130 4.017 4.120 0.045 0.000 0.245 141 V C 1.727 177.837 176.094 0.027 0.000 1.044 141 V CA 1.614 63.938 62.300 0.040 0.000 1.036 141 V CB -0.206 31.639 31.823 0.037 0.000 0.664 141 V HN 0.267 nan 8.190 nan 0.000 0.453 142 E N -0.272 119.943 120.200 0.025 0.000 2.481 142 E HA 0.200 4.577 4.350 0.045 0.000 0.198 142 E C 1.675 178.295 176.600 0.032 0.000 1.027 142 E CA 0.699 57.110 56.400 0.019 0.000 0.900 142 E CB 0.483 30.186 29.700 0.004 0.000 0.993 142 E HN 0.590 nan 8.360 nan 0.000 0.482 143 G N 1.915 110.744 108.800 0.048 0.000 2.203 143 G HA2 -0.326 3.660 3.960 0.045 0.000 0.263 143 G HA3 -0.326 3.660 3.960 0.045 0.000 0.263 143 G C 0.502 175.444 174.900 0.071 0.000 1.012 143 G CA 0.489 45.627 45.100 0.063 0.000 0.749 143 G HN 0.469 nan 8.290 nan 0.000 0.512 144 A N -0.879 121.983 122.820 0.070 0.000 2.322 144 A HA 0.720 5.067 4.320 0.045 0.000 0.269 144 A C 0.508 178.170 177.584 0.131 0.000 1.094 144 A CA -0.014 52.071 52.037 0.079 0.000 0.807 144 A CB 1.231 20.260 19.000 0.049 0.000 1.047 144 A HN 1.079 nan 8.150 nan 0.000 0.487 145 V N 2.681 122.681 119.914 0.143 0.000 2.406 145 V HA 0.325 4.472 4.120 0.045 0.000 0.272 145 V C -0.106 176.122 176.094 0.222 0.000 1.043 145 V CA -0.026 62.389 62.300 0.191 0.000 0.915 145 V CB 0.698 32.624 31.823 0.171 0.000 0.988 145 V HN 0.706 nan 8.190 nan 0.000 0.466 146 L N 6.482 127.893 121.223 0.313 0.000 2.333 146 L HA 0.724 5.091 4.340 0.045 0.000 0.280 146 L C -0.712 176.457 176.870 0.499 0.000 1.004 146 L CA -0.179 54.900 54.840 0.398 0.000 0.820 146 L CB 1.777 44.066 42.059 0.384 0.000 1.247 146 L HN 0.440 nan 8.230 nan 0.000 0.416 147 V N 3.191 123.369 119.914 0.439 0.000 2.628 147 V HA 0.747 4.894 4.120 0.045 0.000 0.306 147 V C -0.449 175.908 176.094 0.439 0.000 1.045 147 V CA -0.419 62.099 62.300 0.364 0.000 0.905 147 V CB 2.019 33.974 31.823 0.220 0.000 0.997 147 V HN 0.860 nan 8.190 nan 0.000 0.436 148 S N 4.861 120.808 115.700 0.411 0.000 2.540 148 S HA 0.871 5.368 4.470 0.045 0.000 0.275 148 S C -0.887 173.870 174.600 0.261 0.000 1.123 148 S CA -0.848 57.594 58.200 0.404 0.000 0.907 148 S CB 2.271 65.835 63.200 0.607 0.000 1.081 148 S HN 0.864 nan 8.310 nan 0.000 0.476 149 M N 1.270 120.989 119.600 0.197 0.000 2.602 149 M HA 0.650 5.157 4.480 0.045 0.000 0.312 149 M C -1.621 174.893 176.300 0.356 0.000 1.181 149 M CA -0.574 54.835 55.300 0.182 0.000 0.910 149 M CB 1.101 33.642 32.600 -0.098 0.000 1.723 149 M HN 0.549 nan 8.290 nan 0.000 0.459 150 N N 2.503 121.471 118.700 0.447 0.000 2.530 150 N HA 0.570 5.337 4.740 0.045 0.000 0.277 150 N C -1.387 174.398 175.510 0.458 0.000 1.168 150 N CA 0.167 53.497 53.050 0.468 0.000 0.979 150 N CB 0.480 39.176 38.487 0.348 0.000 1.141 150 N HN 0.715 nan 8.380 nan 0.000 0.459 151 Y N -1.969 118.508 120.300 0.294 0.000 2.553 151 Y HA 0.552 5.129 4.550 0.045 0.000 0.347 151 Y C -0.091 175.947 175.900 0.230 0.000 1.019 151 Y CA -1.333 56.894 58.100 0.211 0.000 1.032 151 Y CB 0.894 39.414 38.460 0.101 0.000 1.284 151 Y HN 0.201 nan 8.280 nan 0.000 0.466 152 R N 1.954 122.598 120.500 0.239 0.000 2.570 152 R HA 0.436 4.803 4.340 0.045 0.000 0.277 152 R C -0.206 176.251 176.300 0.262 0.000 1.039 152 R CA -0.041 56.158 56.100 0.166 0.000 1.065 152 R CB 0.665 31.027 30.300 0.103 0.000 0.964 152 R HN 0.714 nan 8.270 nan 0.000 0.428 153 V N 0.137 120.240 119.914 0.316 0.000 3.166 153 V HA 0.868 5.015 4.120 0.045 0.000 0.317 153 V C 0.841 177.274 176.094 0.565 0.000 1.136 153 V CA -0.154 62.452 62.300 0.510 0.000 1.035 153 V CB 1.131 33.162 31.823 0.347 0.000 1.110 153 V HN 0.969 nan 8.190 nan 0.000 0.450 154 G N 1.590 110.773 108.800 0.638 0.000 2.574 154 G HA2 -0.309 3.678 3.960 0.045 0.000 0.282 154 G HA3 -0.309 3.678 3.960 0.045 0.000 0.282 154 G C 1.057 176.138 174.900 0.302 0.000 1.257 154 G CA 1.623 47.041 45.100 0.530 0.000 0.956 154 G HN 2.371 nan 8.290 nan 0.000 0.560 155 T N -1.872 112.581 114.554 -0.167 0.000 2.699 155 T HA -0.132 4.245 4.350 0.045 0.000 0.268 155 T C 2.144 176.735 174.700 -0.182 0.000 1.036 155 T CA 2.701 64.463 62.100 -0.564 0.000 1.147 155 T CB -0.459 67.909 68.868 -0.834 0.000 0.862 155 T HN 0.645 nan 8.240 nan 0.000 0.446 156 F N 2.233 122.252 119.950 0.115 0.000 2.202 156 F HA 0.182 4.736 4.527 0.045 0.000 0.301 156 F C 2.745 178.545 175.800 -0.001 0.000 1.082 156 F CA 0.906 58.909 58.000 0.006 0.000 1.313 156 F CB -0.958 38.020 39.000 -0.035 0.000 1.024 156 F HN 0.406 nan 8.300 nan 0.000 0.495 157 G N -2.341 106.537 108.800 0.130 0.000 2.762 157 G HA2 0.055 4.042 3.960 0.045 0.000 0.209 157 G HA3 0.055 4.042 3.960 0.045 0.000 0.209 157 G C 0.876 175.336 174.900 -0.734 0.000 1.134 157 G CA 0.189 45.116 45.100 -0.289 0.000 0.781 157 G HN 0.350 nan 8.290 nan 0.000 0.528 158 F N -0.659 119.392 119.950 0.168 0.000 2.915 158 F HA 0.428 4.982 4.527 0.045 0.000 0.347 158 F C 0.462 176.345 175.800 0.139 0.000 1.104 158 F CA -0.954 57.124 58.000 0.129 0.000 1.126 158 F CB 0.346 39.424 39.000 0.129 0.000 1.145 158 F HN -0.087 nan 8.300 nan 0.000 0.541 159 L N 2.141 123.433 121.223 0.116 0.000 2.499 159 L HA 0.529 4.896 4.340 0.045 0.000 0.273 159 L C -0.063 176.785 176.870 -0.035 0.000 1.195 159 L CA 0.055 54.868 54.840 -0.045 0.000 0.882 159 L CB 0.531 42.291 42.059 -0.500 0.000 1.133 159 L HN 0.123 nan 8.230 nan 0.000 0.483 160 A N 6.163 128.992 122.820 0.015 0.000 2.427 160 A HA 0.643 4.990 4.320 0.045 0.000 0.298 160 A C -1.221 176.349 177.584 -0.024 0.000 1.036 160 A CA -0.560 51.477 52.037 -0.000 0.000 0.701 160 A CB 1.234 20.267 19.000 0.056 0.000 1.250 160 A HN 0.675 nan 8.150 nan 0.000 0.412 161 L N 3.710 124.903 121.223 -0.049 0.000 2.371 161 L HA 0.347 4.713 4.340 0.045 0.000 0.262 161 L C -2.409 174.454 176.870 -0.012 0.000 1.054 161 L CA -1.633 53.186 54.840 -0.035 0.000 0.924 161 L CB 1.347 43.372 42.059 -0.057 0.000 1.295 161 L HN 0.392 nan 8.230 nan 0.000 0.441 162 P HA 0.103 nan 4.420 nan 0.000 0.265 162 P C 1.004 178.308 177.300 0.008 0.000 1.193 162 P CA 0.681 63.786 63.100 0.010 0.000 0.765 162 P CB 1.019 32.725 31.700 0.011 0.000 0.823 163 G N 1.846 110.654 108.800 0.014 0.000 2.268 163 G HA2 -0.260 3.727 3.960 0.045 0.000 0.240 163 G HA3 -0.260 3.727 3.960 0.045 0.000 0.240 163 G C 0.473 175.379 174.900 0.011 0.000 1.010 163 G CA 0.294 45.401 45.100 0.012 0.000 0.618 163 G HN 0.822 nan 8.290 nan 0.000 0.516 164 S N 0.048 115.752 115.700 0.007 0.000 2.593 164 S HA 0.536 5.033 4.470 0.045 0.000 0.269 164 S C 1.267 175.877 174.600 0.017 0.000 1.334 164 S CA 0.604 58.808 58.200 0.006 0.000 1.015 164 S CB 1.825 65.022 63.200 -0.006 0.000 0.912 164 S HN 0.556 nan 8.310 nan 0.000 0.541 165 R N 0.669 121.181 120.500 0.020 0.000 2.127 165 R HA -0.010 4.357 4.340 0.045 0.000 0.217 165 R C 1.613 177.936 176.300 0.038 0.000 1.074 165 R CA 1.249 57.366 56.100 0.028 0.000 0.991 165 R CB -0.117 30.199 30.300 0.026 0.000 0.895 165 R HN 0.933 nan 8.270 nan 0.000 0.450 166 E N -0.846 119.377 120.200 0.038 0.000 2.476 166 E HA 0.073 4.450 4.350 0.045 0.000 0.199 166 E C -0.285 176.363 176.600 0.081 0.000 1.021 166 E CA 0.257 56.693 56.400 0.061 0.000 0.907 166 E CB 1.023 30.761 29.700 0.063 0.000 0.974 166 E HN 0.195 nan 8.360 nan 0.000 0.489 167 A N 2.704 125.546 122.820 0.037 0.000 3.370 167 A HA 0.342 4.689 4.320 0.045 0.000 0.295 167 A C -2.054 175.536 177.584 0.010 0.000 1.030 167 A CA -0.986 51.060 52.037 0.017 0.000 0.883 167 A CB 0.807 19.734 19.000 -0.120 0.000 1.191 167 A HN -0.066 nan 8.150 nan 0.000 0.507 168 P HA 0.092 nan 4.420 nan 0.000 0.226 168 P C 0.938 178.263 177.300 0.040 0.000 1.153 168 P CA 1.838 64.961 63.100 0.038 0.000 0.777 168 P CB 0.154 31.886 31.700 0.053 0.000 0.794 169 G N 0.759 109.582 108.800 0.038 0.000 2.707 169 G HA2 -0.183 3.804 3.960 0.045 0.000 0.686 169 G HA3 -0.183 3.804 3.960 0.045 0.000 0.686 169 G C -0.124 174.788 174.900 0.020 0.000 1.315 169 G CA -0.303 44.825 45.100 0.045 0.000 0.832 169 G HN 0.138 nan 8.290 nan 0.000 0.573 170 N N -2.385 116.327 118.700 0.021 0.000 2.713 170 N HA -0.279 4.488 4.740 0.045 0.000 0.251 170 N C 1.852 177.241 175.510 -0.202 0.000 1.117 170 N CA 2.418 55.417 53.050 -0.084 0.000 0.770 170 N CB -1.667 36.709 38.487 -0.185 0.000 1.137 170 N HN 1.936 nan 8.380 nan 0.000 0.566 171 V N -2.681 117.107 119.914 -0.211 0.000 2.515 171 V HA 0.030 4.177 4.120 0.045 0.000 0.250 171 V C 2.306 178.283 176.094 -0.195 0.000 1.058 171 V CA 2.224 64.443 62.300 -0.135 0.000 1.064 171 V CB -0.863 30.929 31.823 -0.052 0.000 0.675 171 V HN 0.263 nan 8.190 nan 0.000 0.461 172 G N 0.598 109.088 108.800 -0.517 0.000 2.442 172 G HA2 -0.180 3.807 3.960 0.045 0.000 0.219 172 G HA3 -0.180 3.807 3.960 0.045 0.000 0.219 172 G C 1.552 176.419 174.900 -0.054 0.000 1.141 172 G CA 1.316 46.214 45.100 -0.337 0.000 0.763 172 G HN 0.554 nan 8.290 nan 0.000 0.554 173 L N -0.200 120.946 121.223 -0.129 0.000 2.109 173 L HA 0.102 4.469 4.340 0.045 0.000 0.207 173 L C 2.807 179.694 176.870 0.030 0.000 1.086 173 L CA 0.242 54.974 54.840 -0.182 0.000 0.760 173 L CB -0.312 41.305 42.059 -0.737 0.000 0.910 173 L HN 0.169 nan 8.230 nan 0.000 0.437 174 L N -0.393 120.861 121.223 0.052 0.000 2.131 174 L HA -0.231 4.136 4.340 0.045 0.000 0.210 174 L C 2.176 179.171 176.870 0.208 0.000 1.092 174 L CA 0.962 55.927 54.840 0.207 0.000 0.759 174 L CB -0.656 41.504 42.059 0.168 0.000 0.903 174 L HN 0.296 nan 8.230 nan 0.000 0.435 175 D N -0.127 120.385 120.400 0.185 0.000 2.097 175 D HA -0.197 4.470 4.640 0.045 0.000 0.195 175 D C 2.284 178.743 176.300 0.264 0.000 0.989 175 D CA 1.146 55.334 54.000 0.314 0.000 0.827 175 D CB -0.212 40.791 40.800 0.339 0.000 0.966 175 D HN 0.390 nan 8.370 nan 0.000 0.456 176 Q N 0.176 120.059 119.800 0.139 0.000 2.061 176 Q HA -0.169 4.198 4.340 0.045 0.000 0.204 176 Q C 2.304 178.289 176.000 -0.026 0.000 0.984 176 Q CA 1.287 57.088 55.803 -0.003 0.000 0.846 176 Q CB -0.092 28.648 28.738 0.004 0.000 0.902 176 Q HN 0.198 nan 8.270 nan 0.000 0.421 177 R N 0.491 121.085 120.500 0.157 0.000 2.081 177 R HA -0.183 4.184 4.340 0.045 0.000 0.235 177 R C 2.210 178.569 176.300 0.098 0.000 1.131 177 R CA 1.119 57.307 56.100 0.147 0.000 0.960 177 R CB -0.265 30.235 30.300 0.334 0.000 0.856 177 R HN 0.230 nan 8.270 nan 0.000 0.436 178 L N 0.853 122.166 121.223 0.150 0.000 2.046 178 L HA -0.066 4.301 4.340 0.045 0.000 0.208 178 L C 2.293 179.208 176.870 0.075 0.000 1.077 178 L CA 2.120 57.075 54.840 0.192 0.000 0.747 178 L CB -0.688 41.576 42.059 0.342 0.000 0.896 178 L HN 0.283 nan 8.230 nan 0.000 0.432 179 A N -0.905 121.751 122.820 -0.273 0.000 1.902 179 A HA -0.165 4.182 4.320 0.045 0.000 0.217 179 A C 2.112 179.630 177.584 -0.111 0.000 1.181 179 A CA 1.788 53.486 52.037 -0.565 0.000 0.623 179 A CB -0.812 17.605 19.000 -0.972 0.000 0.818 179 A HN 0.404 nan 8.150 nan 0.000 0.443 180 L N -0.357 120.815 121.223 -0.085 0.000 2.042 180 L HA -0.233 4.134 4.340 0.045 0.000 0.210 180 L C 2.655 179.573 176.870 0.079 0.000 1.076 180 L CA 2.162 56.997 54.840 -0.008 0.000 0.749 180 L CB -1.109 40.904 42.059 -0.076 0.000 0.893 180 L HN 0.471 nan 8.230 nan 0.000 0.432 181 Q N -2.311 117.549 119.800 0.099 0.000 2.084 181 Q HA -0.267 4.100 4.340 0.045 0.000 0.202 181 Q C 2.139 178.231 176.000 0.153 0.000 0.978 181 Q CA 2.023 57.896 55.803 0.116 0.000 0.844 181 Q CB -0.396 28.419 28.738 0.127 0.000 0.898 181 Q HN 0.590 nan 8.270 nan 0.000 0.426 182 W N -0.057 121.257 121.300 0.022 0.000 2.338 182 W HA -0.239 4.448 4.660 0.045 0.000 0.304 182 W C 1.799 178.347 176.519 0.048 0.000 1.212 182 W CA 1.363 58.739 57.345 0.052 0.000 1.264 182 W CB -0.166 29.326 29.460 0.054 0.000 1.142 182 W HN -0.113 nan 8.180 nan 0.000 0.512 183 V N 0.969 121.103 119.914 0.367 0.000 2.287 183 V HA -0.372 3.775 4.120 0.045 0.000 0.248 183 V C 2.572 178.687 176.094 0.034 0.000 1.053 183 V CA 2.146 64.574 62.300 0.214 0.000 1.027 183 V CB -1.061 30.893 31.823 0.220 0.000 0.646 183 V HN 0.233 nan 8.190 nan 0.000 0.447 184 Q N -0.030 119.795 119.800 0.042 0.000 2.061 184 Q HA -0.248 4.119 4.340 0.045 0.000 0.204 184 Q C 2.190 178.160 176.000 -0.051 0.000 0.984 184 Q CA 1.954 57.767 55.803 0.016 0.000 0.846 184 Q CB -0.331 28.425 28.738 0.030 0.000 0.902 184 Q HN 0.747 nan 8.270 nan 0.000 0.421 185 E N -0.329 119.801 120.200 -0.116 0.000 2.285 185 E HA -0.022 4.355 4.350 0.045 0.000 0.194 185 E C 1.201 177.643 176.600 -0.264 0.000 0.997 185 E CA 0.440 56.738 56.400 -0.169 0.000 0.845 185 E CB 0.224 29.820 29.700 -0.172 0.000 0.782 185 E HN 0.320 nan 8.360 nan 0.000 0.491 186 N N -0.227 118.228 118.700 -0.409 0.000 2.211 186 N HA 0.031 4.798 4.740 0.045 0.000 0.216 186 N C 1.338 176.749 175.510 -0.164 0.000 1.240 186 N CA 0.030 52.801 53.050 -0.466 0.000 0.895 186 N CB 0.555 38.376 38.487 -1.110 0.000 1.102 186 N HN 0.034 nan 8.380 nan 0.000 0.498 187 I N 2.443 122.964 120.570 -0.081 0.000 2.493 187 I HA -0.046 4.151 4.170 0.045 0.000 0.254 187 I C 2.127 178.357 176.117 0.189 0.000 1.160 187 I CA 0.554 61.940 61.300 0.143 0.000 1.445 187 I CB -0.309 37.753 38.000 0.104 0.000 1.086 187 I HN 0.055 nan 8.210 nan 0.000 0.433 188 A N 0.312 123.170 122.820 0.062 0.000 2.024 188 A HA -0.146 4.201 4.320 0.045 0.000 0.220 188 A C 2.449 180.037 177.584 0.006 0.000 1.164 188 A CA 1.634 53.691 52.037 0.033 0.000 0.643 188 A CB -1.059 17.934 19.000 -0.012 0.000 0.806 188 A HN 0.471 nan 8.150 nan 0.000 0.451 189 A N -1.691 121.099 122.820 -0.051 0.000 2.121 189 A HA 0.142 4.489 4.320 0.045 0.000 0.218 189 A C 1.459 178.832 177.584 -0.352 0.000 1.154 189 A CA 1.014 52.904 52.037 -0.244 0.000 0.679 189 A CB -0.586 18.170 19.000 -0.407 0.000 0.795 189 A HN 0.492 nan 8.150 nan 0.000 0.458 190 F N -1.297 118.605 119.950 -0.080 0.000 2.695 190 F HA 0.382 4.936 4.527 0.045 0.000 0.303 190 F C 1.769 177.574 175.800 0.008 0.000 1.091 190 F CA 0.472 58.439 58.000 -0.055 0.000 1.300 190 F CB 0.292 39.272 39.000 -0.033 0.000 1.071 190 F HN 0.312 nan 8.300 nan 0.000 0.578 191 G N 0.277 109.159 108.800 0.138 0.000 2.157 191 G HA2 -0.199 3.788 3.960 0.045 0.000 0.248 191 G HA3 -0.199 3.788 3.960 0.045 0.000 0.248 191 G C 0.700 175.669 174.900 0.114 0.000 0.979 191 G CA -0.243 44.918 45.100 0.102 0.000 0.650 191 G HN 0.720 nan 8.290 nan 0.000 0.529 192 G N -0.406 108.485 108.800 0.151 0.000 2.503 192 G HA2 0.449 4.436 3.960 0.045 0.000 0.257 192 G HA3 0.449 4.436 3.960 0.045 0.000 0.257 192 G C -0.540 174.410 174.900 0.082 0.000 1.214 192 G CA 0.419 45.594 45.100 0.124 0.000 0.839 192 G HN 0.269 nan 8.290 nan 0.000 0.559 193 D N 1.575 122.014 120.400 0.065 0.000 2.443 193 D HA 0.316 4.983 4.640 0.045 0.000 0.221 193 D C -1.446 174.886 176.300 0.053 0.000 1.097 193 D CA -2.396 51.627 54.000 0.037 0.000 0.865 193 D CB 1.839 42.644 40.800 0.008 0.000 1.034 193 D HN -0.003 nan 8.370 nan 0.000 0.511 194 P HA -0.030 nan 4.420 nan 0.000 0.226 194 P C 1.269 178.661 177.300 0.154 0.000 1.153 194 P CA 0.808 63.968 63.100 0.099 0.000 0.777 194 P CB 0.082 31.820 31.700 0.063 0.000 0.794 195 M N -1.606 118.021 119.600 0.044 0.000 2.561 195 M HA 0.069 4.576 4.480 0.045 0.000 0.238 195 M C 0.594 176.605 176.300 -0.482 0.000 1.131 195 M CA 0.602 55.845 55.300 -0.096 0.000 1.046 195 M CB 0.039 32.577 32.600 -0.103 0.000 1.532 195 M HN -0.168 nan 8.290 nan 0.000 0.497 196 S N 1.021 116.603 115.700 -0.196 0.000 2.389 196 S HA 0.458 4.955 4.470 0.045 0.000 0.201 196 S C -1.007 173.658 174.600 0.108 0.000 1.422 196 S CA -0.551 57.537 58.200 -0.186 0.000 1.216 196 S CB 0.499 63.616 63.200 -0.138 0.000 1.130 196 S HN 0.001 nan 8.310 nan 0.000 0.465 197 V N 3.993 124.163 119.914 0.426 0.000 2.487 197 V HA 0.587 4.734 4.120 0.045 0.000 0.298 197 V C -0.086 176.207 176.094 0.331 0.000 1.028 197 V CA -0.495 62.010 62.300 0.342 0.000 0.860 197 V CB 2.060 34.072 31.823 0.315 0.000 0.991 197 V HN 0.745 nan 8.190 nan 0.000 0.427 198 T N 6.271 120.966 114.554 0.235 0.000 2.786 198 T HA 0.579 4.956 4.350 0.045 0.000 0.283 198 T C -0.307 174.541 174.700 0.247 0.000 0.992 198 T CA -0.364 61.878 62.100 0.236 0.000 0.954 198 T CB 0.903 69.866 68.868 0.157 0.000 0.934 198 T HN 0.352 nan 8.240 nan 0.000 0.440 199 L N 4.935 126.270 121.223 0.187 0.000 2.349 199 L HA 0.634 5.001 4.340 0.045 0.000 0.275 199 L C -0.384 176.684 176.870 0.329 0.000 1.115 199 L CA -0.749 54.166 54.840 0.124 0.000 0.820 199 L CB 0.206 42.123 42.059 -0.237 0.000 1.135 199 L HN 0.613 nan 8.230 nan 0.000 0.445 200 F N 0.664 120.671 119.950 0.095 0.000 2.588 200 F HA 0.969 5.522 4.527 0.045 0.000 0.310 200 F C -0.219 175.517 175.800 -0.106 0.000 1.082 200 F CA -1.547 56.543 58.000 0.151 0.000 0.929 200 F CB 1.551 40.794 39.000 0.406 0.000 1.254 200 F HN 0.449 nan 8.300 nan 0.000 0.455 201 G N 1.112 109.733 108.800 -0.299 0.000 2.660 201 G HA2 0.516 4.503 3.960 0.045 0.000 0.290 201 G HA3 0.516 4.503 3.960 0.045 0.000 0.290 201 G C -2.350 172.304 174.900 -0.411 0.000 1.432 201 G CA -0.726 43.821 45.100 -0.923 0.000 0.807 201 G HN 0.872 nan 8.290 nan 0.000 0.485 205 G N 0.613 109.199 108.800 -0.357 0.000 2.418 205 G HA2 0.105 4.092 3.960 0.045 0.000 0.217 205 G HA3 0.105 4.092 3.960 0.045 0.000 0.217 205 G C 1.638 176.350 174.900 -0.314 0.000 1.158 205 G CA 1.779 46.625 45.100 -0.423 0.000 0.771 205 G HN 1.230 nan 8.290 nan 0.000 0.545 206 A N 1.141 123.850 122.820 -0.185 0.000 1.898 206 A HA 0.328 4.675 4.320 0.045 0.000 0.216 206 A C 2.816 180.366 177.584 -0.056 0.000 1.181 206 A CA 2.101 54.090 52.037 -0.081 0.000 0.620 206 A CB -0.768 18.243 19.000 0.018 0.000 0.819 206 A HN 0.766 nan 8.150 nan 0.000 0.442 207 A N -0.388 122.415 122.820 -0.028 0.000 1.933 207 A HA -0.087 4.260 4.320 0.045 0.000 0.218 207 A C 2.438 180.011 177.584 -0.018 0.000 1.175 207 A CA 2.115 54.127 52.037 -0.042 0.000 0.628 207 A CB -0.863 18.109 19.000 -0.048 0.000 0.814 207 A HN 0.452 nan 8.150 nan 0.000 0.444 208 S N -0.395 115.286 115.700 -0.032 0.000 2.353 208 S HA -0.153 4.344 4.470 0.045 0.000 0.222 208 S C 1.926 176.498 174.600 -0.047 0.000 1.035 208 S CA 1.460 59.621 58.200 -0.065 0.000 1.025 208 S CB -0.633 62.463 63.200 -0.173 0.000 0.902 208 S HN 0.353 nan 8.310 nan 0.000 0.440 209 V N 1.822 121.705 119.914 -0.052 0.000 2.252 209 V HA -0.236 3.911 4.120 0.045 0.000 0.249 209 V C 2.653 178.743 176.094 -0.007 0.000 1.056 209 V CA 2.116 64.391 62.300 -0.041 0.000 1.022 209 V CB -1.591 30.175 31.823 -0.095 0.000 0.641 209 V HN 0.615 nan 8.190 nan 0.000 0.445 210 G N -1.127 107.661 108.800 -0.020 0.000 2.442 210 G HA2 -0.296 3.691 3.960 0.045 0.000 0.219 210 G HA3 -0.296 3.691 3.960 0.045 0.000 0.219 210 G C 1.607 176.524 174.900 0.028 0.000 1.141 210 G CA 1.209 46.305 45.100 -0.007 0.000 0.763 210 G HN 0.464 nan 8.290 nan 0.000 0.554 211 M N -0.270 119.326 119.600 -0.006 0.000 2.229 211 M HA 0.009 4.516 4.480 0.045 0.000 0.264 211 M C 2.317 178.679 176.300 0.104 0.000 1.063 211 M CA 0.875 56.194 55.300 0.033 0.000 1.114 211 M CB -0.265 32.309 32.600 -0.045 0.000 1.387 211 M HN 0.222 nan 8.290 nan 0.000 0.420 212 H N -0.108 119.069 119.070 0.179 0.000 2.423 212 H HA -0.031 4.552 4.556 0.045 0.000 0.297 212 H C 2.131 177.648 175.328 0.316 0.000 1.075 212 H CA 1.436 57.597 56.048 0.189 0.000 1.342 212 H CB -0.315 29.421 29.762 -0.043 0.000 1.395 212 H HN 0.412 nan 8.280 nan 0.000 0.530 213 I N 0.731 121.545 120.570 0.406 0.000 2.286 213 I HA -0.238 3.959 4.170 0.045 0.000 0.248 213 I C 1.894 178.203 176.117 0.320 0.000 1.115 213 I CA 1.038 62.605 61.300 0.445 0.000 1.392 213 I CB -0.053 38.117 38.000 0.283 0.000 1.065 213 I HN 0.117 nan 8.210 nan 0.000 0.418 214 L N -0.875 120.485 121.223 0.229 0.000 2.592 214 L HA 0.098 4.465 4.340 0.045 0.000 0.227 214 L C 0.865 177.788 176.870 0.088 0.000 1.127 214 L CA 0.032 54.982 54.840 0.183 0.000 0.884 214 L CB -0.005 42.140 42.059 0.144 0.000 1.065 214 L HN 0.040 nan 8.230 nan 0.000 0.457 215 S N -0.212 115.512 115.700 0.039 0.000 2.640 215 S HA 0.232 4.729 4.470 0.045 0.000 0.320 215 S C 0.633 175.163 174.600 -0.117 0.000 1.097 215 S CA -0.635 57.473 58.200 -0.154 0.000 1.092 215 S CB 1.361 64.211 63.200 -0.584 0.000 0.988 215 S HN 0.125 nan 8.310 nan 0.000 0.470 216 L N 7.385 128.546 121.223 -0.104 0.000 1.997 216 L HA 0.060 4.427 4.340 0.045 0.000 0.216 216 L C -1.064 175.764 176.870 -0.069 0.000 1.074 216 L CA 2.346 57.142 54.840 -0.072 0.000 0.763 216 L CB -1.273 40.743 42.059 -0.071 0.000 0.890 216 L HN 0.510 nan 8.230 nan 0.000 0.434 217 P HA -0.076 nan 4.420 nan 0.000 0.222 217 P C 1.662 178.959 177.300 -0.006 0.000 1.147 217 P CA 1.288 64.352 63.100 -0.061 0.000 0.790 217 P CB -0.021 31.630 31.700 -0.082 0.000 0.780 218 S N -0.930 114.787 115.700 0.030 0.000 2.461 218 S HA -0.001 4.496 4.470 0.045 0.000 0.228 218 S C 1.800 176.530 174.600 0.216 0.000 1.005 218 S CA 0.518 58.840 58.200 0.204 0.000 0.942 218 S CB -0.354 63.103 63.200 0.428 0.000 0.776 218 S HN 0.085 nan 8.310 nan 0.000 0.514 219 R N 1.800 122.326 120.500 0.043 0.000 2.148 219 R HA 0.044 4.411 4.340 0.045 0.000 0.227 219 R C 2.248 178.363 176.300 -0.307 0.000 1.103 219 R CA 1.150 57.131 56.100 -0.198 0.000 0.983 219 R CB -1.055 29.153 30.300 -0.153 0.000 0.874 219 R HN 0.560 nan 8.270 nan 0.000 0.451 220 S N -0.100 115.511 115.700 -0.149 0.000 2.607 220 S HA 0.071 4.568 4.470 0.045 0.000 0.224 220 S C 1.609 176.127 174.600 -0.137 0.000 0.969 220 S CA 0.239 58.353 58.200 -0.143 0.000 0.927 220 S CB -0.163 62.997 63.200 -0.067 0.000 0.772 220 S HN 0.214 nan 8.310 nan 0.000 0.533 221 L N 0.559 121.736 121.223 -0.076 0.000 2.640 221 L HA 0.503 4.870 4.340 0.045 0.000 0.230 221 L C -0.024 176.894 176.870 0.079 0.000 1.123 221 L CA -0.420 54.438 54.840 0.030 0.000 0.900 221 L CB -0.128 41.997 42.059 0.109 0.000 1.146 221 L HN 0.518 nan 8.230 nan 0.000 0.484 222 F N -4.219 115.525 119.950 -0.343 0.000 2.773 222 F HA 0.434 4.988 4.527 0.045 0.000 0.314 222 F C 0.194 175.626 175.800 -0.614 0.000 1.160 222 F CA -1.024 56.737 58.000 -0.399 0.000 0.920 222 F CB 0.773 39.703 39.000 -0.117 0.000 1.323 222 F HN -0.158 nan 8.300 nan 0.000 0.457 223 H N -0.533 118.579 119.070 0.070 0.000 3.091 223 H HA 0.456 5.039 4.556 0.045 0.000 0.249 223 H C -0.170 175.179 175.328 0.035 0.000 0.985 223 H CA -0.035 55.978 56.048 -0.059 0.000 1.177 223 H CB 1.014 30.754 29.762 -0.037 0.000 1.456 223 H HN 0.441 nan 8.280 nan 0.000 0.467 224 R N 0.203 120.898 120.500 0.326 0.000 2.799 224 R HA 0.739 5.106 4.340 0.045 0.000 0.270 224 R C -1.374 175.201 176.300 0.458 0.000 1.010 224 R CA -0.733 55.537 56.100 0.284 0.000 0.916 224 R CB 2.770 33.047 30.300 -0.038 0.000 1.228 224 R HN 0.126 nan 8.270 nan 0.000 0.469 225 A N 0.877 123.979 122.820 0.470 0.000 2.515 225 A HA 0.692 5.038 4.320 0.045 0.000 0.298 225 A C -1.424 176.303 177.584 0.238 0.000 1.059 225 A CA -0.640 51.591 52.037 0.324 0.000 0.698 225 A CB 1.951 21.095 19.000 0.240 0.000 1.289 225 A HN 0.293 nan 8.150 nan 0.000 0.404 226 V N 1.944 121.952 119.914 0.156 0.000 2.444 226 V HA 0.491 4.638 4.120 0.045 0.000 0.294 226 V C -1.134 175.030 176.094 0.116 0.000 1.022 226 V CA -0.318 62.001 62.300 0.033 0.000 0.850 226 V CB 1.217 33.079 31.823 0.065 0.000 0.992 226 V HN 0.672 nan 8.190 nan 0.000 0.426 227 L N 5.182 126.445 121.223 0.067 0.000 2.295 227 L HA 0.506 4.873 4.340 0.045 0.000 0.281 227 L C 0.087 177.046 176.870 0.147 0.000 1.018 227 L CA 0.066 54.950 54.840 0.074 0.000 0.841 227 L CB 1.396 43.458 42.059 0.005 0.000 1.218 227 L HN 0.630 nan 8.230 nan 0.000 0.424 228 Q N 1.981 121.922 119.800 0.234 0.000 2.331 228 Q HA 0.418 4.785 4.340 0.045 0.000 0.257 228 Q C 0.267 176.391 176.000 0.207 0.000 0.957 228 Q CA -0.453 55.547 55.803 0.328 0.000 0.923 228 Q CB 1.113 30.131 28.738 0.466 0.000 1.212 228 Q HN 0.619 nan 8.270 nan 0.000 0.443 229 S N 1.091 116.901 115.700 0.182 0.000 3.682 229 S HA -0.159 4.338 4.470 0.045 0.000 0.354 229 S C 0.013 174.774 174.600 0.268 0.000 1.034 229 S CA 0.534 58.858 58.200 0.207 0.000 1.084 229 S CB -1.185 62.136 63.200 0.201 0.000 0.903 229 S HN 1.001 nan 8.310 nan 0.000 0.470 230 G N -0.507 108.419 108.800 0.209 0.000 2.519 230 G HA2 0.644 4.631 3.960 0.045 0.000 0.292 230 G HA3 0.644 4.631 3.960 0.045 0.000 0.292 230 G C -0.951 174.008 174.900 0.098 0.000 1.507 230 G CA 0.216 45.488 45.100 0.287 0.000 0.806 230 G HN 0.989 nan 8.290 nan 0.000 0.523 231 T N -1.363 113.190 114.554 -0.000 0.000 2.853 231 T HA 0.725 5.102 4.350 0.045 0.000 0.311 231 T C -2.447 172.101 174.700 -0.253 0.000 1.307 231 T CA -1.217 60.808 62.100 -0.125 0.000 1.019 231 T CB 2.921 71.705 68.868 -0.139 0.000 1.264 231 T HN 0.301 nan 8.240 nan 0.000 0.497 232 P HA 0.001 nan 4.420 nan 0.000 0.220 232 P C 0.260 177.404 177.300 -0.260 0.000 1.152 232 P CA 0.623 63.597 63.100 -0.210 0.000 0.812 232 P CB -0.061 31.572 31.700 -0.111 0.000 0.792 233 N N 0.648 119.213 118.700 -0.225 0.000 2.347 233 N HA 0.299 5.066 4.740 0.045 0.000 0.253 233 N C 0.848 176.163 175.510 -0.325 0.000 1.274 233 N CA 0.616 53.535 53.050 -0.219 0.000 0.941 233 N CB 0.070 38.471 38.487 -0.144 0.000 1.200 233 N HN 0.211 nan 8.380 nan 0.000 0.514 234 G N -0.961 107.670 108.800 -0.281 0.000 2.498 234 G HA2 -0.112 3.875 3.960 0.045 0.000 0.651 234 G HA3 -0.112 3.875 3.960 0.045 0.000 0.651 234 G C -2.418 172.264 174.900 -0.363 0.000 1.284 234 G CA -0.255 44.641 45.100 -0.340 0.000 0.950 234 G HN 0.517 nan 8.290 nan 0.000 0.511 235 P HA 0.169 nan 4.420 nan 0.000 0.240 235 P C 1.458 178.696 177.300 -0.104 0.000 1.190 235 P CA 1.838 64.812 63.100 -0.210 0.000 0.781 235 P CB -0.018 31.509 31.700 -0.288 0.000 0.931 236 W N -1.748 119.465 121.300 -0.146 0.000 2.873 236 W HA 0.567 5.254 4.660 0.045 0.000 0.282 236 W C 1.044 177.632 176.519 0.115 0.000 1.118 236 W CA 0.457 57.791 57.345 -0.018 0.000 1.480 236 W CB -0.826 28.666 29.460 0.053 0.000 0.954 236 W HN -0.176 nan 8.180 nan 0.000 0.591 237 A N 1.940 124.427 122.820 -0.554 0.000 2.119 237 A HA 0.134 4.481 4.320 0.045 0.000 0.216 237 A C 1.095 178.529 177.584 -0.250 0.000 1.152 237 A CA 1.777 53.556 52.037 -0.431 0.000 0.708 237 A CB -0.795 17.693 19.000 -0.853 0.000 0.805 237 A HN 0.241 nan 8.150 nan 0.000 0.460 238 T N -3.084 111.340 114.554 -0.218 0.000 2.883 238 T HA 0.606 4.983 4.350 0.045 0.000 0.301 238 T C -0.663 173.966 174.700 -0.118 0.000 1.158 238 T CA -0.119 61.869 62.100 -0.187 0.000 1.007 238 T CB 1.448 70.213 68.868 -0.170 0.000 1.186 238 T HN 0.902 nan 8.240 nan 0.000 0.499 239 V N -0.905 118.949 119.914 -0.100 0.000 3.001 239 V HA 0.917 5.064 4.120 0.045 0.000 0.314 239 V C 0.349 176.411 176.094 -0.054 0.000 1.099 239 V CA -0.769 61.490 62.300 -0.068 0.000 0.989 239 V CB 1.359 33.146 31.823 -0.061 0.000 1.040 239 V HN 1.387 nan 8.190 nan 0.000 0.434 240 S N 2.006 117.681 115.700 -0.043 0.000 2.608 240 S HA 0.557 5.054 4.470 0.045 0.000 0.261 240 S C 1.456 176.044 174.600 -0.021 0.000 1.314 240 S CA 0.126 58.308 58.200 -0.030 0.000 0.992 240 S CB 1.093 64.276 63.200 -0.028 0.000 0.935 240 S HN 1.977 nan 8.310 nan 0.000 0.564 241 A N 1.769 124.582 122.820 -0.012 0.000 1.908 241 A HA 0.082 4.429 4.320 0.045 0.000 0.218 241 A C 2.238 179.818 177.584 -0.007 0.000 1.181 241 A CA 1.886 53.920 52.037 -0.004 0.000 0.627 241 A CB -1.905 17.095 19.000 -0.000 0.000 0.818 241 A HN 1.174 nan 8.150 nan 0.000 0.445 242 G N -0.551 108.242 108.800 -0.011 0.000 2.418 242 G HA2 -0.245 3.742 3.960 0.045 0.000 0.217 242 G HA3 -0.245 3.742 3.960 0.045 0.000 0.217 242 G C 1.475 176.365 174.900 -0.017 0.000 1.158 242 G CA 1.382 46.474 45.100 -0.013 0.000 0.771 242 G HN 0.597 nan 8.290 nan 0.000 0.545 243 E N 0.876 121.062 120.200 -0.024 0.000 2.152 243 E HA 0.126 4.503 4.350 0.045 0.000 0.192 243 E C 2.605 179.183 176.600 -0.035 0.000 0.983 243 E CA 1.307 57.686 56.400 -0.034 0.000 0.818 243 E CB -0.459 29.215 29.700 -0.044 0.000 0.758 243 E HN 0.280 nan 8.360 nan 0.000 0.467 244 A N 1.046 123.855 122.820 -0.020 0.000 1.877 244 A HA -0.189 4.158 4.320 0.045 0.000 0.216 244 A C 2.302 179.901 177.584 0.025 0.000 1.186 244 A CA 1.808 53.850 52.037 0.008 0.000 0.620 244 A CB -0.685 18.333 19.000 0.030 0.000 0.822 244 A HN 0.294 nan 8.150 nan 0.000 0.443 245 R N -0.596 119.910 120.500 0.010 0.000 2.091 245 R HA -0.167 4.200 4.340 0.045 0.000 0.238 245 R C 2.450 178.753 176.300 0.006 0.000 1.136 245 R CA 1.761 57.864 56.100 0.006 0.000 0.959 245 R CB -0.331 29.967 30.300 -0.003 0.000 0.856 245 R HN 0.512 nan 8.270 nan 0.000 0.437 246 R N 0.346 120.844 120.500 -0.004 0.000 2.083 246 R HA -0.137 4.230 4.340 0.045 0.000 0.237 246 R C 2.320 178.619 176.300 -0.001 0.000 1.137 246 R CA 1.961 58.056 56.100 -0.008 0.000 0.951 246 R CB -0.122 30.166 30.300 -0.020 0.000 0.851 246 R HN 0.291 nan 8.270 nan 0.000 0.434 247 R N -0.372 120.121 120.500 -0.013 0.000 2.081 247 R HA -0.076 4.291 4.340 0.045 0.000 0.235 247 R C 2.328 178.709 176.300 0.136 0.000 1.131 247 R CA 1.385 57.470 56.100 -0.024 0.000 0.960 247 R CB -0.313 29.857 30.300 -0.218 0.000 0.856 247 R HN 0.241 nan 8.270 nan 0.000 0.436 248 A N 0.812 123.737 122.820 0.176 0.000 1.873 248 A HA -0.184 4.163 4.320 0.045 0.000 0.215 248 A C 2.322 179.933 177.584 0.046 0.000 1.186 248 A CA 2.069 54.197 52.037 0.153 0.000 0.616 248 A CB -1.032 17.994 19.000 0.043 0.000 0.823 248 A HN 0.514 nan 8.150 nan 0.000 0.442 249 T N -1.883 112.683 114.554 0.021 0.000 2.788 249 T HA -0.145 4.232 4.350 0.045 0.000 0.268 249 T C 1.781 176.486 174.700 0.008 0.000 1.044 249 T CA 1.540 63.640 62.100 -0.001 0.000 1.139 249 T CB -0.503 68.361 68.868 -0.006 0.000 0.867 249 T HN 0.187 nan 8.240 nan 0.000 0.454 250 L N 0.860 122.098 121.223 0.024 0.000 2.017 250 L HA 0.164 4.531 4.340 0.045 0.000 0.208 250 L C 2.413 179.305 176.870 0.036 0.000 1.073 250 L CA 1.619 56.474 54.840 0.025 0.000 0.745 250 L CB -1.251 40.826 42.059 0.029 0.000 0.894 250 L HN 0.377 nan 8.230 nan 0.000 0.432 251 L N -0.322 120.953 121.223 0.087 0.000 2.042 251 L HA -0.139 4.228 4.340 0.045 0.000 0.210 251 L C 2.487 179.358 176.870 0.001 0.000 1.076 251 L CA 2.086 56.982 54.840 0.092 0.000 0.749 251 L CB -0.892 41.283 42.059 0.193 0.000 0.893 251 L HN 0.292 nan 8.230 nan 0.000 0.432 252 A N -0.282 122.530 122.820 -0.014 0.000 1.865 252 A HA -0.280 4.067 4.320 0.045 0.000 0.217 252 A C 2.518 180.078 177.584 -0.040 0.000 1.191 252 A CA 1.926 53.941 52.037 -0.036 0.000 0.623 252 A CB -0.781 18.194 19.000 -0.043 0.000 0.826 252 A HN 0.533 nan 8.150 nan 0.000 0.444 253 R N -0.285 120.195 120.500 -0.034 0.000 2.113 253 R HA -0.168 4.199 4.340 0.045 0.000 0.244 253 R C 1.982 178.237 176.300 -0.076 0.000 1.142 253 R CA 1.996 58.072 56.100 -0.040 0.000 0.953 253 R CB -0.503 29.781 30.300 -0.028 0.000 0.860 253 R HN 0.539 nan 8.270 nan 0.000 0.438 254 L N 0.720 121.873 121.223 -0.117 0.000 2.191 254 L HA -0.099 4.268 4.340 0.045 0.000 0.212 254 L C 2.062 178.712 176.870 -0.366 0.000 1.103 254 L CA 0.900 55.577 54.840 -0.272 0.000 0.769 254 L CB -0.141 41.706 42.059 -0.353 0.000 0.908 254 L HN 0.251 nan 8.230 nan 0.000 0.438 255 V N -3.342 116.453 119.914 -0.198 0.000 3.514 255 V HA 0.471 4.618 4.120 0.045 0.000 0.301 255 V C 1.079 177.152 176.094 -0.035 0.000 1.346 255 V CA 0.230 62.475 62.300 -0.091 0.000 1.156 255 V CB -0.431 31.390 31.823 -0.003 0.000 1.029 255 V HN 0.456 nan 8.190 nan 0.000 0.428 256 G N -0.557 108.216 108.800 -0.046 0.000 2.182 256 G HA2 -0.221 3.766 3.960 0.045 0.000 0.248 256 G HA3 -0.221 3.766 3.960 0.045 0.000 0.248 256 G C 0.038 174.931 174.900 -0.011 0.000 1.042 256 G CA 0.079 45.167 45.100 -0.020 0.000 0.775 256 G HN 0.728 nan 8.290 nan 0.000 0.501 266 D N 1.459 121.853 120.400 -0.011 0.000 2.133 266 D HA -0.099 4.568 4.640 0.045 0.000 0.195 266 D C 1.367 177.658 176.300 -0.016 0.000 0.997 266 D CA 1.901 55.890 54.000 -0.019 0.000 0.840 266 D CB -0.109 40.680 40.800 -0.018 0.000 0.947 266 D HN 0.351 nan 8.370 nan 0.000 0.452 267 T N 0.234 114.786 114.554 -0.004 0.000 2.684 267 T HA -0.197 4.180 4.350 0.045 0.000 0.267 267 T C 2.103 176.807 174.700 0.007 0.000 1.036 267 T CA 2.241 64.344 62.100 0.005 0.000 1.148 267 T CB -0.436 68.438 68.868 0.010 0.000 0.863 267 T HN 0.464 nan 8.240 nan 0.000 0.436 268 E N 1.011 121.213 120.200 0.003 0.000 2.077 268 E HA -0.008 4.369 4.350 0.045 0.000 0.193 268 E C 2.031 178.632 176.600 0.001 0.000 0.989 268 E CA 1.270 57.672 56.400 0.005 0.000 0.800 268 E CB -0.927 28.774 29.700 0.002 0.000 0.746 268 E HN 0.573 nan 8.360 nan 0.000 0.452 269 L N -0.517 120.699 121.223 -0.011 0.000 2.027 269 L HA -0.046 4.321 4.340 0.045 0.000 0.206 269 L C 2.661 179.512 176.870 -0.031 0.000 1.074 269 L CA 1.545 56.370 54.840 -0.024 0.000 0.745 269 L CB -0.130 41.905 42.059 -0.039 0.000 0.898 269 L HN 0.390 nan 8.230 nan 0.000 0.433 270 I N -0.186 120.363 120.570 -0.034 0.000 2.315 270 I HA -0.242 3.955 4.170 0.045 0.000 0.248 270 I C 2.729 178.887 176.117 0.069 0.000 1.117 270 I CA 0.966 62.252 61.300 -0.024 0.000 1.404 270 I CB -0.598 37.387 38.000 -0.025 0.000 1.071 270 I HN 0.319 nan 8.210 nan 0.000 0.419 271 A N -0.095 122.756 122.820 0.051 0.000 1.908 271 A HA -0.302 4.045 4.320 0.045 0.000 0.218 271 A C 2.542 180.162 177.584 0.061 0.000 1.181 271 A CA 2.046 54.119 52.037 0.059 0.000 0.627 271 A CB -1.360 17.663 19.000 0.038 0.000 0.818 271 A HN 0.620 nan 8.150 nan 0.000 0.445 272 c N -0.594 118.031 118.600 0.043 0.000 2.446 272 c HA 0.018 4.615 4.570 0.045 0.000 0.277 272 c C 2.616 176.742 174.090 0.061 0.000 1.275 272 c CA 1.033 57.385 56.329 0.039 0.000 1.727 272 c CB -1.620 40.902 42.510 0.020 0.000 2.010 272 c HN 0.584 nan 8.230 nan 0.000 0.486 273 L N 0.465 121.732 121.223 0.074 0.000 2.079 273 L HA -0.146 4.221 4.340 0.045 0.000 0.210 273 L C 2.963 179.972 176.870 0.231 0.000 1.081 273 L CA 1.640 56.562 54.840 0.137 0.000 0.752 273 L CB -0.653 41.459 42.059 0.089 0.000 0.896 273 L HN 0.345 nan 8.230 nan 0.000 0.433 274 R N -0.540 120.100 120.500 0.234 0.000 2.237 274 R HA -0.114 4.253 4.340 0.045 0.000 0.219 274 R C 2.233 178.571 176.300 0.063 0.000 1.080 274 R CA 1.623 57.806 56.100 0.138 0.000 0.995 274 R CB -0.428 29.941 30.300 0.114 0.000 0.875 274 R HN 0.538 nan 8.270 nan 0.000 0.462 275 T N -1.452 113.140 114.554 0.062 0.000 3.055 275 T HA 0.052 4.429 4.350 0.045 0.000 0.265 275 T C 0.974 175.696 174.700 0.036 0.000 1.111 275 T CA 0.118 62.241 62.100 0.038 0.000 1.118 275 T CB 0.112 69.000 68.868 0.034 0.000 0.909 275 T HN -0.115 nan 8.240 nan 0.000 0.501 276 R N 2.835 123.366 120.500 0.052 0.000 2.438 276 R HA 0.382 4.749 4.340 0.045 0.000 0.287 276 R C -2.668 173.653 176.300 0.035 0.000 1.077 276 R CA -2.566 53.564 56.100 0.050 0.000 1.034 276 R CB -0.135 30.205 30.300 0.067 0.000 0.993 276 R HN 0.280 nan 8.270 nan 0.000 0.459 277 P HA 0.017 nan 4.420 nan 0.000 0.269 277 P C 0.290 177.572 177.300 -0.031 0.000 1.209 277 P CA 0.094 63.182 63.100 -0.020 0.000 0.776 277 P CB 0.588 32.283 31.700 -0.009 0.000 0.876 278 A N 2.476 125.197 122.820 -0.166 0.000 1.892 278 A HA -0.279 4.068 4.320 0.045 0.000 0.218 278 A C 2.146 179.661 177.584 -0.116 0.000 1.188 278 A CA 1.944 53.840 52.037 -0.235 0.000 0.631 278 A CB -1.347 16.985 19.000 -1.114 0.000 0.822 278 A HN 0.533 nan 8.150 nan 0.000 0.447 279 Q N 0.052 119.765 119.800 -0.144 0.000 2.291 279 Q HA -0.157 4.210 4.340 0.045 0.000 0.206 279 Q C 1.161 177.244 176.000 0.139 0.000 0.976 279 Q CA 1.878 57.758 55.803 0.128 0.000 0.875 279 Q CB -0.382 28.457 28.738 0.168 0.000 0.927 279 Q HN 0.665 nan 8.270 nan 0.000 0.450 280 D N -0.861 119.601 120.400 0.103 0.000 2.117 280 D HA -0.131 4.536 4.640 0.045 0.000 0.198 280 D C 1.504 177.907 176.300 0.173 0.000 0.982 280 D CA 0.689 54.771 54.000 0.138 0.000 0.828 280 D CB -0.065 40.808 40.800 0.122 0.000 0.967 280 D HN 0.211 nan 8.370 nan 0.000 0.464 281 L N 0.497 121.799 121.223 0.130 0.000 1.994 281 L HA -0.125 4.242 4.340 0.045 0.000 0.208 281 L C 2.563 179.506 176.870 0.121 0.000 1.071 281 L CA 0.992 55.877 54.840 0.076 0.000 0.745 281 L CB -1.087 40.911 42.059 -0.102 0.000 0.892 281 L HN -0.039 nan 8.230 nan 0.000 0.431 282 V N -0.200 119.840 119.914 0.209 0.000 2.392 282 V HA -0.302 3.845 4.120 0.045 0.000 0.249 282 V C 2.196 178.384 176.094 0.158 0.000 1.059 282 V CA 1.681 64.142 62.300 0.268 0.000 1.051 282 V CB -0.668 31.426 31.823 0.452 0.000 0.658 282 V HN 0.404 nan 8.190 nan 0.000 0.455 283 D N -0.893 119.568 120.400 0.103 0.000 2.190 283 D HA -0.159 4.508 4.640 0.045 0.000 0.200 283 D C 1.867 177.985 176.300 -0.303 0.000 0.992 283 D CA 1.420 55.379 54.000 -0.069 0.000 0.854 283 D CB -0.199 40.533 40.800 -0.113 0.000 0.936 283 D HN 0.546 nan 8.370 nan 0.000 0.462 284 H N -0.511 118.546 119.070 -0.022 0.000 2.755 284 H HA 0.085 4.668 4.556 0.045 0.000 0.273 284 H C 1.624 176.899 175.328 -0.089 0.000 1.055 284 H CA 0.220 56.222 56.048 -0.076 0.000 1.191 284 H CB 0.671 30.508 29.762 0.125 0.000 1.536 284 H HN 0.434 nan 8.280 nan 0.000 0.529 285 E N 0.187 120.420 120.200 0.056 0.000 2.110 285 E HA -0.194 4.183 4.350 0.045 0.000 0.193 285 E C 2.250 178.886 176.600 0.059 0.000 0.988 285 E CA 1.335 57.861 56.400 0.210 0.000 0.804 285 E CB -0.660 29.196 29.700 0.259 0.000 0.745 285 E HN 0.457 nan 8.360 nan 0.000 0.458 286 W N 1.600 122.793 121.300 -0.179 0.000 2.825 286 W HA 0.103 4.790 4.660 0.045 0.000 0.243 286 W C 1.362 177.850 176.519 -0.052 0.000 1.293 286 W CA 1.014 58.243 57.345 -0.192 0.000 1.403 286 W CB -1.178 28.098 29.460 -0.307 0.000 1.134 286 W HN 0.314 nan 8.180 nan 0.000 0.666 287 H N -0.231 118.863 119.070 0.041 0.000 2.539 287 H HA 0.126 4.709 4.556 0.045 0.000 0.267 287 H C 2.059 177.403 175.328 0.027 0.000 0.982 287 H CA 1.015 57.093 56.048 0.051 0.000 1.146 287 H CB 0.238 30.077 29.762 0.129 0.000 1.382 287 H HN 0.371 nan 8.280 nan 0.000 0.577 288 V N -1.720 118.247 119.914 0.089 0.000 3.578 288 V HA 0.192 4.339 4.120 0.045 0.000 0.290 288 V C 0.484 176.541 176.094 -0.062 0.000 1.376 288 V CA -0.191 62.114 62.300 0.008 0.000 1.083 288 V CB -0.385 31.422 31.823 -0.027 0.000 0.911 288 V HN 0.120 nan 8.190 nan 0.000 0.433 289 L N 2.598 123.784 121.223 -0.061 0.000 2.490 289 L HA 0.221 4.588 4.340 0.045 0.000 0.274 289 L C -0.257 176.587 176.870 -0.043 0.000 1.201 289 L CA -0.886 53.910 54.840 -0.073 0.000 0.869 289 L CB 0.618 42.632 42.059 -0.074 0.000 1.123 289 L HN 0.158 nan 8.230 nan 0.000 0.484 290 P HA -0.099 nan 4.420 nan 0.000 0.219 290 P C -0.107 177.179 177.300 -0.023 0.000 1.150 290 P CA 1.122 64.203 63.100 -0.032 0.000 0.814 290 P CB 0.456 32.135 31.700 -0.035 0.000 0.787 291 Q N -1.047 118.737 119.800 -0.026 0.000 2.484 291 Q HA 0.334 4.701 4.340 0.045 0.000 0.285 291 Q C -0.507 175.483 176.000 -0.017 0.000 1.097 291 Q CA -0.751 55.042 55.803 -0.018 0.000 0.802 291 Q CB 1.489 30.218 28.738 -0.016 0.000 1.444 291 Q HN -0.040 nan 8.270 nan 0.000 0.429 292 E N 0.970 121.166 120.200 -0.007 0.000 2.417 292 E HA 0.273 4.650 4.350 0.045 0.000 0.261 292 E C -0.965 175.630 176.600 -0.008 0.000 1.000 292 E CA 0.193 56.593 56.400 -0.001 0.000 0.919 292 E CB 0.342 30.048 29.700 0.010 0.000 0.955 292 E HN 0.624 nan 8.360 nan 0.000 0.455 293 S N 3.593 119.283 115.700 -0.016 0.000 2.615 293 S HA 0.644 5.141 4.470 0.045 0.000 0.269 293 S C -0.462 174.120 174.600 -0.031 0.000 1.161 293 S CA -1.045 57.137 58.200 -0.029 0.000 0.817 293 S CB 0.804 63.969 63.200 -0.058 0.000 1.131 293 S HN 0.544 nan 8.310 nan 0.000 0.467 294 I N -3.043 117.508 120.570 -0.032 0.000 3.002 294 I HA 0.809 5.006 4.170 0.045 0.000 0.310 294 I C -0.342 175.708 176.117 -0.112 0.000 1.087 294 I CA -1.184 60.100 61.300 -0.027 0.000 1.017 294 I CB 1.315 39.366 38.000 0.085 0.000 1.226 294 I HN 0.759 nan 8.210 nan 0.000 0.443 295 F N 1.348 121.034 119.950 -0.440 0.000 3.091 295 F HA -0.198 4.356 4.527 0.044 0.000 0.288 295 F C -0.112 175.068 175.800 -1.034 0.000 0.907 295 F CA 0.757 58.255 58.000 -0.837 0.000 1.028 295 F CB -0.874 37.603 39.000 -0.872 0.000 1.022 295 F HN 0.726 nan 8.300 nan 0.000 0.665 296 R N 0.322 120.217 120.500 -1.009 0.000 2.621 296 R HA 0.738 5.105 4.340 0.045 0.000 0.284 296 R C -1.499 174.214 176.300 -0.978 0.000 0.998 296 R CA -0.391 55.224 56.100 -0.808 0.000 0.895 296 R CB 1.146 31.257 30.300 -0.314 0.000 1.195 296 R HN -0.029 nan 8.270 nan 0.000 0.450 297 F N 0.646 120.649 119.950 0.090 0.000 2.569 297 F HA 0.367 4.921 4.527 0.045 0.000 0.312 297 F C 1.068 176.863 175.800 -0.008 0.000 1.109 297 F CA -0.875 57.172 58.000 0.079 0.000 0.919 297 F CB 2.345 41.503 39.000 0.263 0.000 1.211 297 F HN 0.446 nan 8.300 nan 0.000 0.446 298 S N 0.897 116.636 115.700 0.066 0.000 2.355 298 S HA -0.001 4.496 4.470 0.045 0.000 0.222 298 S C 0.008 174.273 174.600 -0.558 0.000 1.031 298 S CA 1.185 59.194 58.200 -0.318 0.000 0.993 298 S CB -0.191 62.767 63.200 -0.403 0.000 0.859 298 S HN 0.363 nan 8.310 nan 0.000 0.453 299 F N 1.522 121.582 119.950 0.183 0.000 2.382 299 F HA 0.560 5.114 4.527 0.045 0.000 0.361 299 F C -0.034 175.827 175.800 0.102 0.000 1.109 299 F CA -0.978 57.125 58.000 0.173 0.000 1.031 299 F CB 1.278 40.411 39.000 0.222 0.000 1.234 299 F HN -0.101 nan 8.300 nan 0.000 0.445 300 V N 0.673 120.584 119.914 -0.003 0.000 3.158 300 V HA 0.767 4.914 4.120 0.045 0.000 0.311 300 V C -2.903 172.839 176.094 -0.587 0.000 1.181 300 V CA -3.363 58.592 62.300 -0.575 0.000 1.054 300 V CB 2.028 33.680 31.823 -0.284 0.000 1.085 300 V HN 0.254 nan 8.190 nan 0.000 0.446 301 P HA 0.147 nan 4.420 nan 0.000 0.264 301 P C -0.750 176.419 177.300 -0.218 0.000 1.179 301 P CA 0.493 63.316 63.100 -0.461 0.000 0.763 301 P CB 0.569 31.914 31.700 -0.592 0.000 0.806 302 V N 4.966 124.830 119.914 -0.083 0.000 2.555 302 V HA 0.227 4.374 4.120 0.045 0.000 0.302 302 V C -0.334 175.746 176.094 -0.024 0.000 1.038 302 V CA -0.902 61.373 62.300 -0.041 0.000 0.887 302 V CB 2.084 33.913 31.823 0.010 0.000 0.991 302 V HN 0.135 nan 8.190 nan 0.000 0.434 303 V N 7.543 127.442 119.914 -0.024 0.000 2.359 303 V HA 0.146 4.293 4.120 0.045 0.000 0.248 303 V C 0.854 176.956 176.094 0.014 0.000 1.091 303 V CA 0.466 62.764 62.300 -0.003 0.000 1.103 303 V CB 0.050 31.864 31.823 -0.015 0.000 1.176 303 V HN 1.061 nan 8.190 nan 0.000 0.488 304 D N 2.718 123.141 120.400 0.038 0.000 2.367 304 D HA 0.124 4.791 4.640 0.045 0.000 0.207 304 D C 1.544 177.869 176.300 0.041 0.000 1.034 304 D CA 0.695 54.721 54.000 0.044 0.000 0.861 304 D CB 0.363 41.202 40.800 0.065 0.000 0.943 304 D HN 0.683 nan 8.370 nan 0.000 0.515 305 G N 0.688 109.513 108.800 0.041 0.000 2.148 305 G HA2 -0.313 3.673 3.960 0.045 0.000 0.254 305 G HA3 -0.313 3.673 3.960 0.045 0.000 0.254 305 G C 0.339 175.262 174.900 0.038 0.000 0.981 305 G CA 0.770 45.889 45.100 0.031 0.000 0.670 305 G HN 0.548 nan 8.290 nan 0.000 0.528 306 D N -1.698 118.740 120.400 0.064 0.000 3.028 306 D HA 0.238 4.905 4.640 0.045 0.000 0.205 306 D C 1.733 178.082 176.300 0.083 0.000 1.489 306 D CA 0.341 54.381 54.000 0.066 0.000 1.452 306 D CB -0.652 40.198 40.800 0.082 0.000 1.052 306 D HN 0.052 nan 8.370 nan 0.000 0.221 307 F N 1.228 121.185 119.950 0.013 0.000 2.063 307 F HA 0.054 4.608 4.527 0.045 0.000 0.298 307 F C 0.643 176.442 175.800 -0.001 0.000 1.109 307 F CA 1.379 59.385 58.000 0.009 0.000 1.212 307 F CB 0.061 39.064 39.000 0.005 0.000 0.973 307 F HN 0.007 nan 8.300 nan 0.000 0.480 308 L N 0.643 122.024 121.223 0.263 0.000 2.277 308 L HA 0.191 4.558 4.340 0.045 0.000 0.284 308 L C 1.349 178.261 176.870 0.069 0.000 1.028 308 L CA -0.179 54.748 54.840 0.145 0.000 0.835 308 L CB 1.349 43.481 42.059 0.122 0.000 1.215 308 L HN 0.061 nan 8.230 nan 0.000 0.425 309 S N 0.274 115.995 115.700 0.035 0.000 2.507 309 S HA -0.016 4.481 4.470 0.045 0.000 0.235 309 S C 0.424 175.033 174.600 0.015 0.000 0.988 309 S CA 0.449 58.659 58.200 0.017 0.000 0.944 309 S CB 0.043 63.242 63.200 -0.001 0.000 0.762 309 S HN 0.742 nan 8.310 nan 0.000 0.526 310 D N -0.038 120.373 120.400 0.018 0.000 2.738 310 D HA 0.236 4.903 4.640 0.045 0.000 0.308 310 D C -0.957 175.347 176.300 0.007 0.000 1.311 310 D CA 0.066 54.071 54.000 0.009 0.000 0.799 310 D CB 1.100 41.903 40.800 0.006 0.000 1.332 310 D HN 0.196 nan 8.370 nan 0.000 0.441 311 T N -0.698 113.853 114.554 -0.005 0.000 2.932 311 T HA 0.235 4.612 4.350 0.045 0.000 0.312 311 T C -1.828 172.865 174.700 -0.012 0.000 1.071 311 T CA -0.627 61.462 62.100 -0.018 0.000 1.128 311 T CB 0.955 69.807 68.868 -0.027 0.000 0.984 311 T HN 0.107 nan 8.240 nan 0.000 0.549 312 P HA -0.110 nan 4.420 nan 0.000 0.216 312 P C 1.525 178.817 177.300 -0.013 0.000 1.150 312 P CA 1.237 64.324 63.100 -0.022 0.000 0.837 312 P CB 0.055 31.713 31.700 -0.070 0.000 0.786 313 E N 0.125 120.306 120.200 -0.031 0.000 2.049 313 E HA -0.260 4.117 4.350 0.045 0.000 0.198 313 E C 1.936 178.541 176.600 0.007 0.000 1.007 313 E CA 1.735 58.123 56.400 -0.019 0.000 0.809 313 E CB -0.800 28.882 29.700 -0.030 0.000 0.749 313 E HN 0.067 nan 8.360 nan 0.000 0.450 314 A N 0.933 123.756 122.820 0.005 0.000 1.908 314 A HA -0.157 4.190 4.320 0.045 0.000 0.218 314 A C 2.293 179.898 177.584 0.034 0.000 1.181 314 A CA 1.560 53.605 52.037 0.014 0.000 0.627 314 A CB -0.698 18.305 19.000 0.005 0.000 0.818 314 A HN 0.375 nan 8.150 nan 0.000 0.445 315 L N -0.146 121.105 121.223 0.047 0.000 2.109 315 L HA -0.103 4.264 4.340 0.045 0.000 0.207 315 L C 2.535 179.508 176.870 0.172 0.000 1.086 315 L CA 1.371 56.261 54.840 0.083 0.000 0.760 315 L CB -0.583 41.526 42.059 0.085 0.000 0.910 315 L HN 0.665 nan 8.230 nan 0.000 0.437 316 I N -3.066 117.604 120.570 0.166 0.000 2.761 316 I HA -0.098 4.098 4.170 0.045 0.000 0.261 316 I C 1.797 178.049 176.117 0.224 0.000 1.198 316 I CA 1.090 62.535 61.300 0.241 0.000 1.482 316 I CB -0.403 37.636 38.000 0.066 0.000 1.100 316 I HN 0.176 nan 8.210 nan 0.000 0.445 317 N N 1.544 120.317 118.700 0.122 0.000 2.331 317 N HA -0.087 4.680 4.740 0.045 0.000 0.180 317 N C 1.779 177.335 175.510 0.077 0.000 1.019 317 N CA 2.024 55.127 53.050 0.088 0.000 0.881 317 N CB -0.191 38.325 38.487 0.048 0.000 0.972 317 N HN 0.673 nan 8.380 nan 0.000 0.435 318 T N -3.970 110.620 114.554 0.059 0.000 3.003 318 T HA 0.306 4.683 4.350 0.045 0.000 0.261 318 T C 1.022 175.676 174.700 -0.077 0.000 1.003 318 T CA -0.306 61.794 62.100 0.000 0.000 0.917 318 T CB 0.040 68.901 68.868 -0.011 0.000 1.084 318 T HN 0.041 nan 8.240 nan 0.000 0.522 319 G N 1.145 109.877 108.800 -0.113 0.000 2.664 319 G HA2 0.371 4.358 3.960 0.045 0.000 0.242 319 G HA3 0.371 4.358 3.960 0.045 0.000 0.242 319 G C -0.962 173.529 174.900 -0.682 0.000 1.225 319 G CA -0.300 44.470 45.100 -0.550 0.000 0.849 319 G HN 0.352 nan 8.290 nan 0.000 0.581 320 D N -0.207 119.729 120.400 -0.774 0.000 2.381 320 D HA 0.406 5.073 4.640 0.045 0.000 0.235 320 D C -0.451 175.489 176.300 -0.601 0.000 1.068 320 D CA -0.717 52.984 54.000 -0.498 0.000 0.832 320 D CB 0.678 41.324 40.800 -0.257 0.000 1.101 320 D HN 0.101 nan 8.370 nan 0.000 0.515 321 F N 1.873 121.826 119.950 0.005 0.000 2.791 321 F HA 0.217 4.772 4.527 0.045 0.000 0.308 321 F C 1.956 177.761 175.800 0.008 0.000 1.138 321 F CA -0.369 57.637 58.000 0.009 0.000 1.294 321 F CB 0.316 39.330 39.000 0.024 0.000 0.975 321 F HN 0.364 nan 8.300 nan 0.000 0.512 322 Q N 0.671 120.529 119.800 0.097 0.000 2.181 322 Q HA -0.152 4.215 4.340 0.045 0.000 0.205 322 Q C 1.315 177.351 176.000 0.060 0.000 0.980 322 Q CA 1.716 57.560 55.803 0.068 0.000 0.862 322 Q CB -0.281 28.471 28.738 0.024 0.000 0.905 322 Q HN 0.708 nan 8.270 nan 0.000 0.429 323 D N 0.497 120.927 120.400 0.051 0.000 2.460 323 D HA 0.327 4.993 4.640 0.045 0.000 0.229 323 D C -0.315 176.015 176.300 0.050 0.000 1.170 323 D CA -0.123 53.898 54.000 0.035 0.000 0.827 323 D CB 0.016 40.820 40.800 0.007 0.000 0.973 323 D HN -0.068 nan 8.370 nan 0.000 0.496 324 L N -0.175 121.104 121.223 0.093 0.000 2.346 324 L HA 0.620 4.987 4.340 0.045 0.000 0.276 324 L C -0.929 176.013 176.870 0.120 0.000 1.006 324 L CA -0.928 53.980 54.840 0.113 0.000 0.817 324 L CB 2.279 44.443 42.059 0.174 0.000 1.272 324 L HN 0.099 nan 8.230 nan 0.000 0.421 325 Q N 3.171 123.057 119.800 0.144 0.000 2.337 325 Q HA 0.811 5.178 4.340 0.045 0.000 0.266 325 Q C -1.468 174.776 176.000 0.407 0.000 1.023 325 Q CA -0.548 55.392 55.803 0.229 0.000 0.829 325 Q CB 2.683 31.506 28.738 0.141 0.000 1.306 325 Q HN 0.473 nan 8.270 nan 0.000 0.449 326 V N 2.215 122.352 119.914 0.371 0.000 2.760 326 V HA 0.504 4.651 4.120 0.045 0.000 0.309 326 V C -1.476 174.581 176.094 -0.062 0.000 1.077 326 V CA -0.886 61.533 62.300 0.198 0.000 0.910 326 V CB 1.896 33.747 31.823 0.047 0.000 1.008 326 V HN 0.629 nan 8.190 nan 0.000 0.424 327 L N 6.644 127.589 121.223 -0.464 0.000 2.313 327 L HA 0.923 5.290 4.340 0.045 0.000 0.283 327 L C -0.472 176.253 176.870 -0.242 0.000 1.013 327 L CA -0.163 54.320 54.840 -0.595 0.000 0.816 327 L CB 1.643 42.867 42.059 -1.391 0.000 1.236 327 L HN 0.671 nan 8.230 nan 0.000 0.419 328 V N 2.023 121.874 119.914 -0.106 0.000 3.007 328 V HA 1.127 5.274 4.120 0.045 0.000 0.311 328 V C -0.254 175.637 176.094 -0.338 0.000 1.120 328 V CA 0.233 62.463 62.300 -0.116 0.000 0.980 328 V CB 1.240 32.966 31.823 -0.161 0.000 1.033 328 V HN 1.101 nan 8.190 nan 0.000 0.429 329 G N 0.836 109.281 108.800 -0.592 0.000 2.495 329 G HA2 0.797 4.784 3.960 0.045 0.000 0.294 329 G HA3 0.797 4.784 3.960 0.045 0.000 0.294 329 G C -1.179 173.410 174.900 -0.518 0.000 1.397 329 G CA 0.045 44.367 45.100 -1.297 0.000 0.790 329 G HN 2.084 nan 8.290 nan 0.000 0.486 330 V N -2.395 117.359 119.914 -0.267 0.000 3.160 330 V HA 0.924 5.071 4.120 0.045 0.000 0.310 330 V C 0.289 176.577 176.094 0.324 0.000 1.181 330 V CA -0.403 61.954 62.300 0.096 0.000 1.047 330 V CB 1.145 33.002 31.823 0.057 0.000 1.068 330 V HN 1.828 nan 8.190 nan 0.000 0.441 331 V N -0.570 119.547 119.914 0.339 0.000 3.109 331 V HA 0.566 4.713 4.120 0.045 0.000 0.317 331 V C 1.391 177.679 176.094 0.324 0.000 1.074 331 V CA 0.095 62.647 62.300 0.420 0.000 1.033 331 V CB 1.262 33.325 31.823 0.400 0.000 1.111 331 V HN 1.121 nan 8.190 nan 0.000 0.458 332 K N -0.206 120.382 120.400 0.313 0.000 2.148 332 K HA -0.047 4.300 4.320 0.045 0.000 0.204 332 K C 0.337 177.063 176.600 0.211 0.000 1.050 332 K CA 1.750 58.175 56.287 0.230 0.000 0.942 332 K CB 0.087 32.698 32.500 0.185 0.000 0.724 332 K HN 0.901 nan 8.250 nan 0.000 0.446 333 D N 1.279 121.814 120.400 0.225 0.000 2.749 333 D HA 0.029 4.696 4.640 0.045 0.000 0.338 333 D C 0.132 176.576 176.300 0.241 0.000 1.236 333 D CA -0.103 54.022 54.000 0.209 0.000 0.845 333 D CB 1.249 42.152 40.800 0.172 0.000 1.080 333 D HN 0.138 nan 8.370 nan 0.000 0.497 334 E N 0.664 121.018 120.200 0.258 0.000 2.114 334 E HA -0.158 4.219 4.350 0.045 0.000 0.199 334 E C 1.970 178.782 176.600 0.354 0.000 1.008 334 E CA 0.998 57.588 56.400 0.318 0.000 0.810 334 E CB 0.044 29.896 29.700 0.253 0.000 0.739 334 E HN 0.443 nan 8.360 nan 0.000 0.456 335 G N 0.788 109.756 108.800 0.279 0.000 2.623 335 G HA2 -0.162 3.825 3.960 0.045 0.000 0.214 335 G HA3 -0.162 3.825 3.960 0.045 0.000 0.214 335 G C 1.717 176.829 174.900 0.353 0.000 1.138 335 G CA 0.860 46.145 45.100 0.308 0.000 0.794 335 G HN 0.375 nan 8.290 nan 0.000 0.535 336 S N -0.050 115.805 115.700 0.258 0.000 2.368 336 S HA -0.207 4.290 4.470 0.045 0.000 0.225 336 S C 2.105 176.744 174.600 0.066 0.000 1.030 336 S CA 1.243 59.552 58.200 0.183 0.000 0.999 336 S CB -0.791 62.437 63.200 0.047 0.000 0.844 336 S HN 0.425 nan 8.310 nan 0.000 0.459 337 Y N 1.726 121.907 120.300 -0.199 0.000 2.114 337 Y HA -0.204 4.372 4.550 0.044 0.000 0.282 337 Y C 1.817 177.563 175.900 -0.257 0.000 1.165 337 Y CA 2.053 59.867 58.100 -0.477 0.000 1.148 337 Y CB -0.547 37.488 38.460 -0.708 0.000 0.972 337 Y HN 0.287 nan 8.280 nan 0.000 0.504 338 F N -0.529 119.547 119.950 0.210 0.000 2.407 338 F HA -0.149 4.404 4.527 0.044 0.000 0.299 338 F C 1.953 177.848 175.800 0.159 0.000 1.097 338 F CA 0.771 58.884 58.000 0.189 0.000 1.422 338 F CB -0.475 38.543 39.000 0.030 0.000 1.067 338 F HN 0.037 nan 8.300 nan 0.000 0.539 339 L N -0.102 121.247 121.223 0.209 0.000 2.141 339 L HA -0.140 4.227 4.340 0.045 0.000 0.209 339 L C 2.387 179.340 176.870 0.139 0.000 1.094 339 L CA 1.027 55.865 54.840 -0.003 0.000 0.763 339 L CB -0.912 40.893 42.059 -0.423 0.000 0.908 339 L HN 0.186 nan 8.230 nan 0.000 0.437 340 V N -4.436 115.597 119.914 0.198 0.000 3.510 340 V HA -0.151 3.996 4.120 0.045 0.000 0.270 340 V C 1.069 177.137 176.094 -0.045 0.000 1.201 340 V CA 0.825 63.212 62.300 0.144 0.000 1.166 340 V CB -1.134 30.779 31.823 0.150 0.000 0.825 340 V HN 0.332 nan 8.190 nan 0.000 0.484 341 Y N 1.312 121.679 120.300 0.112 0.000 2.708 341 Y HA 0.691 5.268 4.550 0.045 0.000 0.287 341 Y C 1.609 177.558 175.900 0.082 0.000 1.145 341 Y CA 0.233 58.388 58.100 0.092 0.000 1.249 341 Y CB 0.823 39.349 38.460 0.110 0.000 1.152 341 Y HN 0.382 nan 8.280 nan 0.000 0.532 342 G N -1.134 107.779 108.800 0.188 0.000 3.987 342 G HA2 -0.073 3.914 3.960 0.045 0.000 0.220 342 G HA3 -0.073 3.914 3.960 0.045 0.000 0.220 342 G C -0.806 174.169 174.900 0.126 0.000 0.871 342 G CA -0.475 44.709 45.100 0.140 0.000 0.881 342 G HN -0.032 nan 8.290 nan 0.000 0.674 343 V N 2.632 122.637 119.914 0.152 0.000 2.350 343 V HA 0.443 4.590 4.120 0.045 0.000 0.276 343 V C -2.007 174.265 176.094 0.297 0.000 1.028 343 V CA -1.732 60.682 62.300 0.189 0.000 0.860 343 V CB 1.386 33.273 31.823 0.108 0.000 0.990 343 V HN 0.050 nan 8.190 nan 0.000 0.453 344 P HA 0.283 nan 4.420 nan 0.000 0.265 344 P C 1.004 178.399 177.300 0.158 0.000 1.193 344 P CA 1.170 64.365 63.100 0.158 0.000 0.765 344 P CB 0.767 32.526 31.700 0.097 0.000 0.823 345 G N 1.333 110.158 108.800 0.042 0.000 2.232 345 G HA2 -0.211 3.776 3.960 0.045 0.000 0.226 345 G HA3 -0.211 3.776 3.960 0.045 0.000 0.226 345 G C -0.189 174.499 174.900 -0.353 0.000 0.996 345 G CA -0.593 44.401 45.100 -0.176 0.000 0.626 345 G HN 0.398 nan 8.290 nan 0.000 0.509 346 F N 1.670 121.621 119.950 0.002 0.000 2.420 346 F HA 0.778 5.332 4.527 0.044 0.000 0.342 346 F C 0.586 176.457 175.800 0.118 0.000 1.113 346 F CA -0.092 57.923 58.000 0.024 0.000 1.059 346 F CB 2.249 41.305 39.000 0.093 0.000 1.128 346 F HN 0.200 nan 8.300 nan 0.000 0.475 347 S N 1.941 117.842 115.700 0.335 0.000 2.547 347 S HA 0.279 4.776 4.470 0.045 0.000 0.270 347 S C 0.225 175.081 174.600 0.426 0.000 1.150 347 S CA -0.882 57.513 58.200 0.325 0.000 0.850 347 S CB 1.434 64.740 63.200 0.176 0.000 1.118 347 S HN 0.777 nan 8.310 nan 0.000 0.461 348 K N 1.112 121.674 120.400 0.270 0.000 2.432 348 K HA 0.120 4.467 4.320 0.045 0.000 0.196 348 K C -0.017 176.585 176.600 0.004 0.000 1.038 348 K CA 1.073 57.426 56.287 0.111 0.000 0.986 348 K CB -0.077 32.252 32.500 -0.285 0.000 0.782 348 K HN 0.445 nan 8.250 nan 0.000 0.485 349 D N 0.878 121.278 120.400 -0.001 0.000 2.349 349 D HA 0.028 4.695 4.640 0.045 0.000 0.214 349 D C -0.347 175.967 176.300 0.023 0.000 1.063 349 D CA 0.213 54.184 54.000 -0.049 0.000 0.847 349 D CB 0.196 40.948 40.800 -0.080 0.000 0.933 349 D HN 0.494 nan 8.370 nan 0.000 0.513 350 N N -1.354 117.399 118.700 0.088 0.000 3.157 350 N HA 0.140 4.907 4.740 0.045 0.000 0.291 350 N C 0.131 175.695 175.510 0.090 0.000 1.515 350 N CA -0.612 52.471 53.050 0.055 0.000 0.807 350 N CB 0.728 39.208 38.487 -0.012 0.000 1.672 350 N HN -0.344 nan 8.380 nan 0.000 0.592 351 E N -0.540 119.643 120.200 -0.028 0.000 2.502 351 E HA 0.076 4.453 4.350 0.045 0.000 0.194 351 E C -0.567 175.698 176.600 -0.559 0.000 1.062 351 E CA 0.128 56.444 56.400 -0.140 0.000 0.867 351 E CB -0.264 29.393 29.700 -0.073 0.000 0.888 351 E HN 0.546 nan 8.360 nan 0.000 0.510 352 S N 0.603 115.999 115.700 -0.507 0.000 3.550 352 S HA -0.188 4.309 4.470 0.045 0.000 0.372 352 S C 0.063 174.232 174.600 -0.719 0.000 0.966 352 S CA 0.212 57.974 58.200 -0.731 0.000 1.229 352 S CB -1.379 61.158 63.200 -1.104 0.000 0.917 352 S HN 0.329 nan 8.310 nan 0.000 0.496 353 L N 2.040 122.993 121.223 -0.449 0.000 2.342 353 L HA 0.440 4.807 4.340 0.045 0.000 0.285 353 L C 0.796 177.477 176.870 -0.316 0.000 1.095 353 L CA -0.278 54.361 54.840 -0.335 0.000 0.843 353 L CB 0.077 42.009 42.059 -0.212 0.000 1.201 353 L HN 0.480 nan 8.230 nan 0.000 0.445 354 I N 0.322 120.690 120.570 -0.337 0.000 2.918 354 I HA 0.614 4.811 4.170 0.045 0.000 0.316 354 I C 0.648 176.691 176.117 -0.123 0.000 1.001 354 I CA -0.544 60.597 61.300 -0.264 0.000 1.142 354 I CB 1.747 39.554 38.000 -0.322 0.000 1.356 354 I HN 0.510 nan 8.210 nan 0.000 0.524 355 S N 2.252 117.913 115.700 -0.064 0.000 2.707 355 S HA 0.400 4.897 4.470 0.045 0.000 0.276 355 S C 0.899 175.526 174.600 0.045 0.000 1.179 355 S CA -0.613 57.577 58.200 -0.017 0.000 0.992 355 S CB 1.658 64.853 63.200 -0.008 0.000 1.030 355 S HN 0.852 nan 8.310 nan 0.000 0.554 356 R N 0.298 120.829 120.500 0.052 0.000 2.081 356 R HA -0.077 4.289 4.340 0.045 0.000 0.235 356 R C 2.338 178.729 176.300 0.151 0.000 1.131 356 R CA 1.612 57.781 56.100 0.116 0.000 0.960 356 R CB -1.110 29.233 30.300 0.073 0.000 0.856 356 R HN 0.834 nan 8.270 nan 0.000 0.436 357 A N 0.482 123.355 122.820 0.090 0.000 1.902 357 A HA -0.211 4.136 4.320 0.045 0.000 0.217 357 A C 2.016 179.650 177.584 0.083 0.000 1.181 357 A CA 1.527 53.607 52.037 0.073 0.000 0.623 357 A CB -0.453 18.574 19.000 0.045 0.000 0.818 357 A HN 0.512 nan 8.150 nan 0.000 0.443 358 Q N -1.887 117.969 119.800 0.094 0.000 2.224 358 Q HA -0.085 4.282 4.340 0.045 0.000 0.203 358 Q C 1.849 177.970 176.000 0.202 0.000 0.970 358 Q CA 1.292 57.163 55.803 0.113 0.000 0.865 358 Q CB -0.257 28.520 28.738 0.065 0.000 0.922 358 Q HN 0.821 nan 8.270 nan 0.000 0.445 359 F N 1.266 121.255 119.950 0.065 0.000 2.084 359 F HA -0.205 4.352 4.527 0.051 0.000 0.296 359 F C 1.779 177.622 175.800 0.073 0.000 1.111 359 F CA 1.011 59.063 58.000 0.086 0.000 1.224 359 F CB 0.076 39.108 39.000 0.053 0.000 0.991 359 F HN -0.045 nan 8.300 nan 0.000 0.471 360 L N 0.320 121.478 121.223 -0.108 0.000 2.046 360 L HA -0.207 4.160 4.340 0.045 0.000 0.208 360 L C 2.840 179.634 176.870 -0.126 0.000 1.077 360 L CA 1.190 55.909 54.840 -0.201 0.000 0.747 360 L CB -1.573 40.453 42.059 -0.054 0.000 0.896 360 L HN 0.266 nan 8.230 nan 0.000 0.432 361 A N 0.722 123.524 122.820 -0.030 0.000 1.930 361 A HA -0.056 4.291 4.320 0.045 0.000 0.217 361 A C 2.452 180.037 177.584 0.002 0.000 1.175 361 A CA 1.525 53.562 52.037 -0.001 0.000 0.627 361 A CB -1.156 17.865 19.000 0.036 0.000 0.815 361 A HN 0.426 nan 8.150 nan 0.000 0.443 362 G N -0.423 108.395 108.800 0.031 0.000 2.440 362 G HA2 -0.143 3.844 3.960 0.045 0.000 0.218 362 G HA3 -0.143 3.844 3.960 0.045 0.000 0.218 362 G C 1.485 176.360 174.900 -0.041 0.000 1.154 362 G CA 1.278 46.409 45.100 0.053 0.000 0.767 362 G HN 0.319 nan 8.290 nan 0.000 0.552 363 V N 1.022 120.836 119.914 -0.167 0.000 2.407 363 V HA -0.125 4.022 4.120 0.045 0.000 0.248 363 V C 2.930 178.973 176.094 -0.085 0.000 1.055 363 V CA 1.582 63.772 62.300 -0.183 0.000 1.049 363 V CB -0.382 31.229 31.823 -0.353 0.000 0.662 363 V HN 0.228 nan 8.190 nan 0.000 0.455 364 R N -0.110 120.349 120.500 -0.067 0.000 2.148 364 R HA 0.057 4.424 4.340 0.045 0.000 0.227 364 R C 1.971 178.263 176.300 -0.014 0.000 1.103 364 R CA 1.216 57.297 56.100 -0.032 0.000 0.983 364 R CB -0.674 29.612 30.300 -0.023 0.000 0.874 364 R HN 0.485 nan 8.270 nan 0.000 0.451 365 I N -0.811 119.753 120.570 -0.009 0.000 2.703 365 I HA -0.005 4.192 4.170 0.045 0.000 0.259 365 I C 2.091 178.209 176.117 0.003 0.000 1.151 365 I CA 1.077 62.379 61.300 0.004 0.000 1.470 365 I CB -0.324 37.689 38.000 0.021 0.000 1.112 365 I HN 0.144 nan 8.210 nan 0.000 0.437 366 G N 0.484 109.283 108.800 -0.001 0.000 2.623 366 G HA2 0.044 4.031 3.960 0.045 0.000 0.214 366 G HA3 0.044 4.031 3.960 0.045 0.000 0.214 366 G C 0.808 175.731 174.900 0.038 0.000 1.138 366 G CA 0.328 45.432 45.100 0.007 0.000 0.794 366 G HN 0.222 nan 8.290 nan 0.000 0.535 367 V N 1.950 121.876 119.914 0.019 0.000 2.468 367 V HA 0.211 4.358 4.120 0.045 0.000 0.256 367 V C -1.478 174.628 176.094 0.019 0.000 0.998 367 V CA -1.017 61.294 62.300 0.017 0.000 1.114 367 V CB 1.503 33.313 31.823 -0.022 0.000 1.378 367 V HN 0.050 nan 8.190 nan 0.000 0.573 368 P HA -0.142 nan 4.420 nan 0.000 0.221 368 P C 1.050 178.354 177.300 0.008 0.000 1.145 368 P CA 1.066 64.170 63.100 0.007 0.000 0.795 368 P CB 0.569 32.267 31.700 -0.003 0.000 0.775 369 Q N -0.479 119.335 119.800 0.024 0.000 2.425 369 Q HA 0.243 4.610 4.340 0.045 0.000 0.204 369 Q C 0.872 176.874 176.000 0.002 0.000 0.933 369 Q CA 0.003 55.815 55.803 0.015 0.000 0.939 369 Q CB -0.512 28.246 28.738 0.033 0.000 1.044 369 Q HN 0.181 nan 8.270 nan 0.000 0.513 370 A N 0.788 123.608 122.820 -0.001 0.000 2.440 370 A HA 0.423 4.770 4.320 0.045 0.000 0.251 370 A C 0.361 177.936 177.584 -0.015 0.000 1.089 370 A CA -0.264 51.766 52.037 -0.013 0.000 0.779 370 A CB 0.181 19.174 19.000 -0.011 0.000 1.022 370 A HN 0.339 nan 8.150 nan 0.000 0.492 371 S N 1.937 117.624 115.700 -0.022 0.000 2.589 371 S HA 0.102 4.599 4.470 0.045 0.000 0.265 371 S C 0.460 175.055 174.600 -0.009 0.000 1.342 371 S CA 0.099 58.288 58.200 -0.018 0.000 1.005 371 S CB 0.490 63.675 63.200 -0.025 0.000 0.909 371 S HN 0.634 nan 8.310 nan 0.000 0.555 372 D N 0.313 120.710 120.400 -0.004 0.000 2.133 372 D HA -0.133 4.534 4.640 0.045 0.000 0.192 372 D C 1.679 177.988 176.300 0.014 0.000 1.001 372 D CA 1.308 55.311 54.000 0.004 0.000 0.844 372 D CB -0.421 40.383 40.800 0.006 0.000 0.944 372 D HN 0.473 nan 8.370 nan 0.000 0.447 373 L N 0.379 121.610 121.223 0.014 0.000 2.093 373 L HA 0.004 4.371 4.340 0.045 0.000 0.208 373 L C 2.068 178.965 176.870 0.045 0.000 1.085 373 L CA 1.654 56.513 54.840 0.031 0.000 0.755 373 L CB -0.731 41.342 42.059 0.023 0.000 0.904 373 L HN -0.010 nan 8.230 nan 0.000 0.435 374 A N -0.441 122.387 122.820 0.014 0.000 1.877 374 A HA -0.098 4.249 4.320 0.045 0.000 0.216 374 A C 2.432 180.044 177.584 0.047 0.000 1.186 374 A CA 1.720 53.763 52.037 0.010 0.000 0.620 374 A CB -1.159 17.813 19.000 -0.047 0.000 0.822 374 A HN 0.532 nan 8.150 nan 0.000 0.443 375 A N -0.695 122.140 122.820 0.024 0.000 2.015 375 A HA -0.129 4.218 4.320 0.045 0.000 0.219 375 A C 1.945 179.548 177.584 0.033 0.000 1.163 375 A CA 1.804 53.850 52.037 0.015 0.000 0.646 375 A CB -0.413 18.580 19.000 -0.012 0.000 0.806 375 A HN 0.652 nan 8.150 nan 0.000 0.448 376 E N -0.281 119.953 120.200 0.057 0.000 2.046 376 E HA -0.013 4.364 4.350 0.045 0.000 0.190 376 E C 2.218 178.897 176.600 0.131 0.000 0.982 376 E CA 0.883 57.334 56.400 0.085 0.000 0.800 376 E CB -0.254 29.494 29.700 0.080 0.000 0.756 376 E HN 0.537 nan 8.360 nan 0.000 0.449 377 A N 0.341 123.258 122.820 0.162 0.000 1.917 377 A HA -0.209 4.138 4.320 0.045 0.000 0.219 377 A C 2.398 180.075 177.584 0.155 0.000 1.182 377 A CA 1.715 53.891 52.037 0.231 0.000 0.633 377 A CB -0.842 18.406 19.000 0.413 0.000 0.819 377 A HN 0.219 nan 8.150 nan 0.000 0.448 378 V N -0.544 119.472 119.914 0.170 0.000 2.261 378 V HA -0.231 3.915 4.120 0.045 0.000 0.246 378 V C 2.585 178.804 176.094 0.208 0.000 1.047 378 V CA 1.953 64.324 62.300 0.118 0.000 1.015 378 V CB -0.821 31.065 31.823 0.105 0.000 0.642 378 V HN 0.380 nan 8.190 nan 0.000 0.446 379 V N 0.055 120.048 119.914 0.131 0.000 2.282 379 V HA -0.292 3.855 4.120 0.045 0.000 0.249 379 V C 2.301 178.593 176.094 0.331 0.000 1.057 379 V CA 2.170 64.583 62.300 0.189 0.000 1.032 379 V CB -0.607 31.256 31.823 0.067 0.000 0.645 379 V HN 0.460 nan 8.190 nan 0.000 0.447 380 L N -0.776 120.632 121.223 0.308 0.000 2.141 380 L HA -0.178 4.189 4.340 0.045 0.000 0.209 380 L C 2.535 179.618 176.870 0.354 0.000 1.094 380 L CA 1.906 57.013 54.840 0.446 0.000 0.763 380 L CB -0.815 41.439 42.059 0.326 0.000 0.908 380 L HN 0.445 nan 8.230 nan 0.000 0.437 381 H N -0.784 118.309 119.070 0.039 0.000 2.395 381 H HA -0.155 4.430 4.556 0.048 0.000 0.299 381 H C 1.740 176.977 175.328 -0.152 0.000 1.070 381 H CA 1.761 57.693 56.048 -0.194 0.000 1.356 381 H CB 0.108 29.454 29.762 -0.694 0.000 1.401 381 H HN 0.231 nan 8.280 nan 0.000 0.524 382 Y N -0.335 119.999 120.300 0.057 0.000 2.478 382 Y HA 0.162 4.738 4.550 0.044 0.000 0.261 382 Y C 0.796 176.651 175.900 -0.076 0.000 1.127 382 Y CA 0.289 58.430 58.100 0.068 0.000 1.288 382 Y CB 0.290 38.940 38.460 0.317 0.000 1.084 382 Y HN 0.010 nan 8.280 nan 0.000 0.530 383 T N 1.776 116.314 114.554 -0.026 0.000 2.888 383 T HA -0.074 4.303 4.350 0.045 0.000 0.301 383 T C -0.188 174.152 174.700 -0.600 0.000 1.001 383 T CA -0.096 61.721 62.100 -0.471 0.000 1.147 383 T CB 0.166 68.456 68.868 -0.963 0.000 0.931 383 T HN 0.077 nan 8.240 nan 0.000 0.541 384 D N 2.314 122.412 120.400 -0.503 0.000 2.365 384 D HA 0.074 4.741 4.640 0.045 0.000 0.237 384 D C 0.123 176.148 176.300 -0.458 0.000 1.190 384 D CA -0.540 53.232 54.000 -0.380 0.000 0.867 384 D CB 0.427 41.044 40.800 -0.304 0.000 1.050 384 D HN 0.627 nan 8.370 nan 0.000 0.491 385 W N 3.174 124.395 121.300 -0.131 0.000 2.699 385 W HA 0.036 4.720 4.660 0.041 0.000 0.249 385 W C 2.006 178.409 176.519 -0.193 0.000 1.280 385 W CA -0.227 57.041 57.345 -0.128 0.000 1.345 385 W CB 0.050 29.452 29.460 -0.097 0.000 1.128 385 W HN 0.426 nan 8.180 nan 0.000 0.642 386 L N -1.216 119.905 121.223 -0.169 0.000 2.179 386 L HA -0.079 4.288 4.340 0.045 0.000 0.208 386 L C 0.273 176.731 176.870 -0.686 0.000 1.096 386 L CA 1.106 55.674 54.840 -0.453 0.000 0.779 386 L CB -0.335 41.335 42.059 -0.649 0.000 0.922 386 L HN 0.031 nan 8.230 nan 0.000 0.443 387 H N -1.757 117.177 119.070 -0.227 0.000 2.439 387 H HA 0.154 4.718 4.556 0.013 0.000 0.230 387 H C -1.836 173.311 175.328 -0.301 0.000 1.420 387 H CA -1.330 54.556 56.048 -0.270 0.000 1.305 387 H CB 0.154 29.650 29.762 -0.443 0.000 1.667 387 H HN -0.033 nan 8.280 nan 0.000 0.515 388 P HA -0.149 nan 4.420 nan 0.000 0.222 388 P C 0.599 177.788 177.300 -0.186 0.000 1.147 388 P CA 1.202 64.127 63.100 -0.291 0.000 0.790 388 P CB 0.684 32.267 31.700 -0.194 0.000 0.780 389 E N -0.546 119.600 120.200 -0.090 0.000 2.526 389 E HA 0.048 4.425 4.350 0.045 0.000 0.208 389 E C -0.026 176.550 176.600 -0.040 0.000 0.997 389 E CA -0.142 56.227 56.400 -0.052 0.000 0.961 389 E CB 0.003 29.693 29.700 -0.017 0.000 1.030 389 E HN 0.246 nan 8.360 nan 0.000 0.483 390 D N 2.394 122.777 120.400 -0.028 0.000 2.434 390 D HA -0.004 4.663 4.640 0.045 0.000 0.252 390 D C -1.666 174.628 176.300 -0.010 0.000 1.185 390 D CA -1.498 52.511 54.000 0.014 0.000 0.886 390 D CB 1.375 42.240 40.800 0.108 0.000 1.148 390 D HN -0.180 nan 8.370 nan 0.000 0.483 391 P HA -0.081 nan 4.420 nan 0.000 0.219 391 P C 1.129 178.366 177.300 -0.105 0.000 1.150 391 P CA 0.845 63.893 63.100 -0.087 0.000 0.814 391 P CB 0.253 31.892 31.700 -0.102 0.000 0.787 392 T N -1.655 112.847 114.554 -0.087 0.000 2.777 392 T HA -0.152 4.225 4.350 0.045 0.000 0.266 392 T C 1.488 176.108 174.700 -0.134 0.000 1.040 392 T CA 1.516 63.541 62.100 -0.125 0.000 1.141 392 T CB -0.882 67.894 68.868 -0.153 0.000 0.868 392 T HN 0.271 nan 8.240 nan 0.000 0.444 393 H N 0.475 119.475 119.070 -0.117 0.000 2.357 393 H HA 0.162 4.737 4.556 0.033 0.000 0.301 393 H C 2.130 177.346 175.328 -0.186 0.000 1.082 393 H CA 1.016 56.990 56.048 -0.123 0.000 1.342 393 H CB -0.268 29.415 29.762 -0.131 0.000 1.389 393 H HN 0.194 nan 8.280 nan 0.000 0.511 394 L N 0.100 121.251 121.223 -0.120 0.000 2.083 394 L HA -0.154 4.213 4.340 0.045 0.000 0.209 394 L C 2.728 179.504 176.870 -0.157 0.000 1.083 394 L CA 1.057 55.696 54.840 -0.335 0.000 0.752 394 L CB -0.292 41.603 42.059 -0.273 0.000 0.899 394 L HN 0.252 nan 8.230 nan 0.000 0.433 395 R N 0.530 120.999 120.500 -0.051 0.000 2.066 395 R HA -0.165 4.202 4.340 0.045 0.000 0.232 395 R C 1.579 177.984 176.300 0.175 0.000 1.131 395 R CA 1.953 58.106 56.100 0.088 0.000 0.955 395 R CB -0.304 29.920 30.300 -0.127 0.000 0.851 395 R HN 0.315 nan 8.270 nan 0.000 0.432 396 D N 0.502 120.958 120.400 0.093 0.000 2.219 396 D HA -0.058 4.609 4.640 0.045 0.000 0.205 396 D C 1.687 178.083 176.300 0.160 0.000 0.970 396 D CA 1.272 55.360 54.000 0.146 0.000 0.851 396 D CB -0.120 40.729 40.800 0.082 0.000 0.943 396 D HN 0.366 nan 8.370 nan 0.000 0.488 397 A N 0.627 123.501 122.820 0.091 0.000 1.898 397 A HA -0.132 4.215 4.320 0.045 0.000 0.216 397 A C 2.118 179.829 177.584 0.212 0.000 1.181 397 A CA 1.298 53.422 52.037 0.145 0.000 0.620 397 A CB -0.438 18.500 19.000 -0.104 0.000 0.819 397 A HN 0.123 nan 8.150 nan 0.000 0.442 398 M N 0.144 119.893 119.600 0.248 0.000 2.108 398 M HA -0.112 4.395 4.480 0.045 0.000 0.261 398 M C 2.313 178.694 176.300 0.136 0.000 1.066 398 M CA 2.167 57.658 55.300 0.319 0.000 1.107 398 M CB -0.671 32.154 32.600 0.376 0.000 1.356 398 M HN 0.421 nan 8.290 nan 0.000 0.406 399 S N -0.343 115.453 115.700 0.161 0.000 2.356 399 S HA -0.112 4.385 4.470 0.045 0.000 0.223 399 S C 2.073 176.769 174.600 0.160 0.000 1.032 399 S CA 1.668 59.972 58.200 0.174 0.000 1.005 399 S CB -0.665 62.700 63.200 0.274 0.000 0.867 399 S HN 0.627 nan 8.310 nan 0.000 0.449 400 A N 0.919 123.857 122.820 0.197 0.000 1.908 400 A HA -0.029 4.318 4.320 0.045 0.000 0.218 400 A C 2.383 180.048 177.584 0.136 0.000 1.181 400 A CA 1.875 54.061 52.037 0.248 0.000 0.627 400 A CB -1.219 18.042 19.000 0.436 0.000 0.818 400 A HN 0.471 nan 8.150 nan 0.000 0.445 401 V N -0.441 119.410 119.914 -0.105 0.000 2.282 401 V HA -0.268 3.879 4.120 0.045 0.000 0.249 401 V C 2.577 178.603 176.094 -0.114 0.000 1.057 401 V CA 2.205 64.348 62.300 -0.261 0.000 1.032 401 V CB -0.711 30.965 31.823 -0.245 0.000 0.645 401 V HN 0.397 nan 8.190 nan 0.000 0.447 402 V N 0.443 120.321 119.914 -0.061 0.000 2.379 402 V HA -0.105 4.042 4.120 0.045 0.000 0.245 402 V C 2.574 178.558 176.094 -0.183 0.000 1.044 402 V CA 2.058 64.300 62.300 -0.097 0.000 1.036 402 V CB -1.186 30.638 31.823 0.001 0.000 0.664 402 V HN 0.608 nan 8.190 nan 0.000 0.453 403 G N -0.449 108.320 108.800 -0.052 0.000 2.408 403 G HA2 -0.202 3.785 3.960 0.045 0.000 0.217 403 G HA3 -0.202 3.785 3.960 0.045 0.000 0.217 403 G C 1.216 176.043 174.900 -0.121 0.000 1.150 403 G CA 0.905 45.981 45.100 -0.040 0.000 0.776 403 G HN 0.493 nan 8.290 nan 0.000 0.542 404 D N -0.204 120.139 120.400 -0.095 0.000 2.097 404 D HA -0.069 4.598 4.640 0.045 0.000 0.197 404 D C 2.117 178.105 176.300 -0.520 0.000 0.984 404 D CA 1.146 55.060 54.000 -0.143 0.000 0.826 404 D CB -0.482 40.410 40.800 0.153 0.000 0.973 404 D HN 0.348 nan 8.370 nan 0.000 0.460 405 H N 1.067 119.538 119.070 -0.997 0.000 2.353 405 H HA 0.009 4.592 4.556 0.045 0.000 0.300 405 H C 1.490 176.397 175.328 -0.701 0.000 1.090 405 H CA 1.648 56.905 56.048 -1.320 0.000 1.327 405 H CB 0.013 28.956 29.762 -1.365 0.000 1.383 405 H HN 0.007 nan 8.280 nan 0.000 0.508 406 N N -0.808 117.431 118.700 -0.769 0.000 2.368 406 N HA -0.013 4.754 4.740 0.045 0.000 0.176 406 N C 1.410 176.659 175.510 -0.435 0.000 1.021 406 N CA 1.149 53.673 53.050 -0.877 0.000 0.888 406 N CB 0.891 38.207 38.487 -1.951 0.000 0.995 406 N HN 0.274 nan 8.380 nan 0.000 0.437 407 V N -0.381 119.341 119.914 -0.319 0.000 3.054 407 V HA 0.067 4.214 4.120 0.045 0.000 0.227 407 V C 2.197 178.250 176.094 -0.069 0.000 1.252 407 V CA 0.228 62.481 62.300 -0.079 0.000 1.279 407 V CB -0.103 31.743 31.823 0.038 0.000 1.118 407 V HN -0.160 nan 8.190 nan 0.000 0.504 408 V N -0.001 119.871 119.914 -0.069 0.000 2.295 408 V HA -0.270 3.877 4.120 0.045 0.000 0.246 408 V C 2.513 178.574 176.094 -0.056 0.000 1.049 408 V CA 2.515 64.790 62.300 -0.042 0.000 1.024 408 V CB -0.721 31.107 31.823 0.008 0.000 0.648 408 V HN 0.654 nan 8.190 nan 0.000 0.447 409 c N -0.411 118.148 118.600 -0.068 0.000 2.466 409 c HA 0.010 4.607 4.570 0.045 0.000 0.278 409 c C 0.556 174.618 174.090 -0.046 0.000 1.288 409 c CA 0.825 57.145 56.329 -0.015 0.000 1.722 409 c CB -1.787 40.754 42.510 0.051 0.000 2.017 409 c HN 0.453 nan 8.230 nan 0.000 0.488 410 P HA -0.075 nan 4.420 nan 0.000 0.216 410 P C 1.765 179.003 177.300 -0.102 0.000 1.150 410 P CA 1.360 64.394 63.100 -0.111 0.000 0.837 410 P CB -0.149 31.458 31.700 -0.154 0.000 0.786 411 V N 0.058 119.911 119.914 -0.100 0.000 2.358 411 V HA -0.241 3.905 4.120 0.045 0.000 0.246 411 V C 2.443 178.435 176.094 -0.169 0.000 1.047 411 V CA 2.248 64.470 62.300 -0.129 0.000 1.035 411 V CB -1.661 30.085 31.823 -0.129 0.000 0.658 411 V HN 0.095 nan 8.190 nan 0.000 0.452 412 A N -0.760 121.977 122.820 -0.137 0.000 1.933 412 A HA -0.311 4.036 4.320 0.045 0.000 0.218 412 A C 2.245 179.787 177.584 -0.072 0.000 1.175 412 A CA 2.152 54.111 52.037 -0.130 0.000 0.628 412 A CB -0.537 18.440 19.000 -0.038 0.000 0.814 412 A HN 0.624 nan 8.150 nan 0.000 0.444 413 Q N -0.818 118.956 119.800 -0.042 0.000 2.050 413 Q HA -0.179 4.188 4.340 0.045 0.000 0.202 413 Q C 2.013 177.986 176.000 -0.044 0.000 0.980 413 Q CA 1.754 57.546 55.803 -0.017 0.000 0.840 413 Q CB -0.269 28.461 28.738 -0.014 0.000 0.898 413 Q HN 0.548 nan 8.270 nan 0.000 0.424 414 L N 0.712 121.881 121.223 -0.091 0.000 2.017 414 L HA -0.104 4.263 4.340 0.045 0.000 0.208 414 L C 2.291 179.081 176.870 -0.133 0.000 1.073 414 L CA 2.276 57.046 54.840 -0.117 0.000 0.745 414 L CB -0.887 41.088 42.059 -0.140 0.000 0.894 414 L HN 0.275 nan 8.230 nan 0.000 0.432 415 A N -0.403 122.300 122.820 -0.195 0.000 1.917 415 A HA -0.150 4.197 4.320 0.045 0.000 0.219 415 A C 2.339 179.909 177.584 -0.022 0.000 1.182 415 A CA 1.855 53.732 52.037 -0.268 0.000 0.633 415 A CB -1.702 16.859 19.000 -0.733 0.000 0.819 415 A HN 0.568 nan 8.150 nan 0.000 0.448 416 G N -0.906 107.941 108.800 0.078 0.000 2.402 416 G HA2 -0.185 3.802 3.960 0.045 0.000 0.216 416 G HA3 -0.185 3.802 3.960 0.045 0.000 0.216 416 G C 1.687 176.655 174.900 0.114 0.000 1.162 416 G CA 0.775 46.002 45.100 0.211 0.000 0.777 416 G HN 0.396 nan 8.290 nan 0.000 0.539 417 R N 0.306 120.839 120.500 0.054 0.000 2.066 417 R HA 0.112 4.479 4.340 0.045 0.000 0.232 417 R C 2.684 179.020 176.300 0.061 0.000 1.131 417 R CA 0.542 56.676 56.100 0.058 0.000 0.955 417 R CB -1.267 29.056 30.300 0.040 0.000 0.851 417 R HN 0.394 nan 8.270 nan 0.000 0.432 418 L N 0.383 121.582 121.223 -0.040 0.000 2.012 418 L HA -0.174 4.193 4.340 0.045 0.000 0.210 418 L C 2.610 179.512 176.870 0.053 0.000 1.073 418 L CA 1.620 56.403 54.840 -0.096 0.000 0.748 418 L CB -0.742 41.182 42.059 -0.225 0.000 0.891 418 L HN 0.170 nan 8.230 nan 0.000 0.431 419 A N -0.089 122.776 122.820 0.076 0.000 1.902 419 A HA -0.126 4.221 4.320 0.045 0.000 0.217 419 A C 2.510 180.148 177.584 0.090 0.000 1.181 419 A CA 1.636 53.733 52.037 0.099 0.000 0.623 419 A CB -0.644 18.452 19.000 0.160 0.000 0.818 419 A HN 0.411 nan 8.150 nan 0.000 0.443 420 A N -1.348 121.530 122.820 0.097 0.000 1.969 420 A HA -0.096 4.251 4.320 0.045 0.000 0.218 420 A C 1.853 179.495 177.584 0.096 0.000 1.169 420 A CA 1.648 53.735 52.037 0.083 0.000 0.635 420 A CB -0.266 18.780 19.000 0.078 0.000 0.810 420 A HN 0.477 nan 8.150 nan 0.000 0.445 421 Q N -1.341 118.547 119.800 0.148 0.000 2.225 421 Q HA 0.382 4.749 4.340 0.045 0.000 0.222 421 Q C 0.894 176.999 176.000 0.175 0.000 0.887 421 Q CA 0.695 56.604 55.803 0.177 0.000 0.958 421 Q CB 0.079 29.006 28.738 0.316 0.000 1.058 421 Q HN 0.828 nan 8.270 nan 0.000 0.459 422 G N -1.307 107.569 108.800 0.126 0.000 2.175 422 G HA2 -0.267 3.720 3.960 0.045 0.000 0.244 422 G HA3 -0.267 3.720 3.960 0.045 0.000 0.244 422 G C 0.295 175.263 174.900 0.114 0.000 0.982 422 G CA -0.090 45.070 45.100 0.100 0.000 0.641 422 G HN 0.597 nan 8.290 nan 0.000 0.527 423 A N -0.057 122.848 122.820 0.143 0.000 2.351 423 A HA 0.719 5.066 4.320 0.045 0.000 0.257 423 A C 0.685 178.302 177.584 0.054 0.000 1.087 423 A CA 0.439 52.542 52.037 0.110 0.000 0.798 423 A CB 0.353 19.398 19.000 0.075 0.000 1.033 423 A HN 0.744 nan 8.150 nan 0.000 0.488 424 R N 1.525 122.055 120.500 0.049 0.000 2.202 424 R HA 0.506 4.873 4.340 0.045 0.000 0.334 424 R C -1.482 174.802 176.300 -0.025 0.000 1.036 424 R CA -0.129 55.968 56.100 -0.007 0.000 0.878 424 R CB 0.422 30.744 30.300 0.038 0.000 1.067 424 R HN 0.472 nan 8.270 nan 0.000 0.457 425 V N 5.644 125.471 119.914 -0.146 0.000 2.604 425 V HA 0.432 4.579 4.120 0.045 0.000 0.305 425 V C -1.148 174.765 176.094 -0.301 0.000 1.043 425 V CA -0.792 61.445 62.300 -0.105 0.000 0.888 425 V CB 1.676 33.501 31.823 0.003 0.000 0.995 425 V HN 0.660 nan 8.190 nan 0.000 0.429 426 Y N 1.930 122.191 120.300 -0.065 0.000 2.409 426 Y HA 0.816 5.393 4.550 0.044 0.000 0.343 426 Y C 0.278 176.228 175.900 0.083 0.000 0.973 426 Y CA -0.562 57.480 58.100 -0.097 0.000 1.064 426 Y CB 2.317 40.369 38.460 -0.679 0.000 1.207 426 Y HN 0.783 nan 8.280 nan 0.000 0.452 427 A N 2.771 125.959 122.820 0.614 0.000 2.454 427 A HA 0.889 5.236 4.320 0.045 0.000 0.302 427 A C -1.931 176.065 177.584 0.687 0.000 1.079 427 A CA -0.719 51.572 52.037 0.425 0.000 0.731 427 A CB 1.267 20.334 19.000 0.111 0.000 1.299 427 A HN 0.763 nan 8.150 nan 0.000 0.413 428 Y N -0.869 119.692 120.300 0.435 0.000 2.625 428 Y HA 0.790 5.367 4.550 0.044 0.000 0.338 428 Y C -1.235 174.859 175.900 0.323 0.000 1.123 428 Y CA -1.557 56.748 58.100 0.342 0.000 1.046 428 Y CB 1.299 39.947 38.460 0.314 0.000 1.299 428 Y HN 0.731 nan 8.280 nan 0.000 0.464 429 I N 3.144 124.041 120.570 0.546 0.000 2.466 429 I HA 0.470 4.667 4.170 0.045 0.000 0.289 429 I C -1.816 174.643 176.117 0.570 0.000 1.026 429 I CA -1.028 60.559 61.300 0.480 0.000 1.078 429 I CB 1.069 39.291 38.000 0.370 0.000 1.249 429 I HN 0.728 nan 8.210 nan 0.000 0.429 430 F N 7.453 127.697 119.950 0.490 0.000 2.411 430 F HA 0.398 4.952 4.527 0.046 0.000 0.355 430 F C 0.482 176.433 175.800 0.253 0.000 1.117 430 F CA 0.117 58.336 58.000 0.366 0.000 1.139 430 F CB 0.861 40.090 39.000 0.381 0.000 1.120 430 F HN 0.551 nan 8.300 nan 0.000 0.493 431 E N 3.314 123.348 120.200 -0.277 0.000 2.714 431 E HA -0.014 4.363 4.350 0.045 0.000 0.219 431 E C -0.915 175.527 176.600 -0.263 0.000 0.979 431 E CA -0.185 56.135 56.400 -0.135 0.000 1.092 431 E CB 0.262 29.930 29.700 -0.055 0.000 1.049 431 E HN 0.544 nan 8.360 nan 0.000 0.487 432 H N 1.311 119.949 119.070 -0.719 0.000 2.517 432 H HA 0.259 4.842 4.556 0.045 0.000 0.317 432 H C -0.479 174.769 175.328 -0.134 0.000 1.080 432 H CA -0.526 55.196 56.048 -0.543 0.000 1.301 432 H CB 0.595 29.798 29.762 -0.931 0.000 1.425 432 H HN -0.145 nan 8.280 nan 0.000 0.471 433 R N 4.222 124.342 120.500 -0.633 0.000 2.216 433 R HA 0.466 4.833 4.340 0.045 0.000 0.332 433 R C -0.539 175.503 176.300 -0.431 0.000 1.056 433 R CA -0.594 55.312 56.100 -0.323 0.000 0.901 433 R CB 0.228 30.426 30.300 -0.170 0.000 1.039 433 R HN 0.823 nan 8.270 nan 0.000 0.456 434 A N 3.255 126.125 122.820 0.084 0.000 2.567 434 A HA -0.028 4.319 4.320 0.045 0.000 0.240 434 A C 1.390 179.070 177.584 0.160 0.000 1.053 434 A CA 0.620 52.900 52.037 0.405 0.000 0.755 434 A CB 0.250 19.614 19.000 0.606 0.000 0.978 434 A HN 1.032 nan 8.150 nan 0.000 0.507 435 S N 1.742 117.569 115.700 0.211 0.000 2.419 435 S HA -0.181 4.316 4.470 0.045 0.000 0.235 435 S C 1.394 175.986 174.600 -0.013 0.000 1.019 435 S CA 1.729 59.978 58.200 0.082 0.000 0.982 435 S CB -0.888 62.381 63.200 0.115 0.000 0.789 435 S HN 1.251 nan 8.310 nan 0.000 0.490 436 T N -0.733 113.778 114.554 -0.072 0.000 3.129 436 T HA 0.344 4.721 4.350 0.045 0.000 0.251 436 T C 0.390 175.017 174.700 -0.120 0.000 1.117 436 T CA -0.513 61.485 62.100 -0.171 0.000 1.034 436 T CB -0.528 68.107 68.868 -0.389 0.000 0.968 436 T HN 0.239 nan 8.240 nan 0.000 0.526 437 L N 4.066 125.254 121.223 -0.058 0.000 2.540 437 L HA 0.215 4.582 4.340 0.045 0.000 0.276 437 L C 1.642 178.457 176.870 -0.092 0.000 1.212 437 L CA 0.788 55.580 54.840 -0.079 0.000 0.893 437 L CB 0.744 42.762 42.059 -0.069 0.000 1.138 437 L HN 0.436 nan 8.230 nan 0.000 0.491 438 T N -0.181 114.281 114.554 -0.153 0.000 3.037 438 T HA 0.076 4.453 4.350 0.045 0.000 0.251 438 T C 0.427 175.115 174.700 -0.019 0.000 1.079 438 T CA -0.449 61.564 62.100 -0.146 0.000 1.067 438 T CB -0.311 68.358 68.868 -0.331 0.000 0.948 438 T HN 0.415 nan 8.240 nan 0.000 0.496 439 W N 3.662 124.983 121.300 0.034 0.000 2.137 439 W HA 0.377 5.063 4.660 0.044 0.000 0.344 439 W C -1.902 174.531 176.519 -0.144 0.000 1.286 439 W CA -2.109 55.223 57.345 -0.022 0.000 1.240 439 W CB 0.068 29.451 29.460 -0.128 0.000 1.141 439 W HN 0.020 nan 8.180 nan 0.000 0.579 440 P HA -0.020 nan 4.420 nan 0.000 0.271 440 P C 0.555 177.776 177.300 -0.132 0.000 1.233 440 P CA 0.041 63.104 63.100 -0.061 0.000 0.789 440 P CB 0.881 32.549 31.700 -0.052 0.000 0.951 441 L N 0.133 121.339 121.223 -0.028 0.000 2.131 441 L HA -0.118 4.249 4.340 0.045 0.000 0.210 441 L C 2.522 179.406 176.870 0.023 0.000 1.092 441 L CA 1.285 56.126 54.840 0.002 0.000 0.759 441 L CB -0.793 41.298 42.059 0.053 0.000 0.903 441 L HN 0.609 nan 8.230 nan 0.000 0.435 442 W N -0.938 120.398 121.300 0.060 0.000 2.525 442 W HA -0.130 4.557 4.660 0.044 0.000 0.259 442 W C 1.620 178.192 176.519 0.088 0.000 1.253 442 W CA 0.394 57.777 57.345 0.064 0.000 1.262 442 W CB -0.759 28.740 29.460 0.064 0.000 1.122 442 W HN 0.189 nan 8.180 nan 0.000 0.607 443 M N 1.312 120.569 119.600 -0.571 0.000 2.619 443 M HA 0.128 4.635 4.480 0.045 0.000 0.251 443 M C 1.822 178.040 176.300 -0.137 0.000 1.106 443 M CA 1.352 56.323 55.300 -0.549 0.000 1.086 443 M CB -0.625 31.536 32.600 -0.732 0.000 1.465 443 M HN 0.180 nan 8.290 nan 0.000 0.506 444 G N 0.835 109.606 108.800 -0.048 0.000 2.591 444 G HA2 -0.297 3.690 3.960 0.045 0.000 0.298 444 G HA3 -0.297 3.690 3.960 0.045 0.000 0.298 444 G C -0.078 174.841 174.900 0.032 0.000 1.195 444 G CA -0.065 45.050 45.100 0.025 0.000 0.989 444 G HN 0.248 nan 8.290 nan 0.000 0.551 445 V N 3.722 123.694 119.914 0.097 0.000 2.270 445 V HA 0.463 4.610 4.120 0.045 0.000 0.263 445 V C -1.855 174.377 176.094 0.230 0.000 1.066 445 V CA -0.793 61.612 62.300 0.175 0.000 0.857 445 V CB 1.041 33.003 31.823 0.232 0.000 1.099 445 V HN 0.513 nan 8.190 nan 0.000 0.476 446 P HA 0.208 nan 4.420 nan 0.000 0.276 446 P C -0.187 177.326 177.300 0.356 0.000 1.244 446 P CA -0.547 62.691 63.100 0.229 0.000 0.801 446 P CB 0.392 32.144 31.700 0.087 0.000 1.006 447 H N 1.034 120.193 119.070 0.150 0.000 3.173 447 H HA 0.158 4.741 4.556 0.044 0.000 0.311 447 H C 1.564 176.834 175.328 -0.097 0.000 0.972 447 H CA 2.446 58.520 56.048 0.043 0.000 1.384 447 H CB -0.581 29.179 29.762 -0.004 0.000 1.349 447 H HN 0.776 nan 8.280 nan 0.000 0.582 448 G N 3.240 111.758 108.800 -0.470 0.000 2.213 448 G HA2 -0.325 3.662 3.960 0.045 0.000 0.236 448 G HA3 -0.325 3.662 3.960 0.045 0.000 0.236 448 G C 0.619 175.369 174.900 -0.249 0.000 0.991 448 G CA 0.403 45.202 45.100 -0.501 0.000 0.629 448 G HN 0.657 nan 8.290 nan 0.000 0.517 449 Y N 1.513 121.889 120.300 0.127 0.000 2.470 449 Y HA 0.257 4.834 4.550 0.046 0.000 0.284 449 Y C 2.298 178.303 175.900 0.175 0.000 1.188 449 Y CA 0.865 59.111 58.100 0.244 0.000 1.269 449 Y CB 0.466 39.119 38.460 0.321 0.000 1.094 449 Y HN 0.484 nan 8.280 nan 0.000 0.518 450 E N 0.321 120.444 120.200 -0.129 0.000 2.340 450 E HA -0.059 4.318 4.350 0.045 0.000 0.194 450 E C 1.579 178.063 176.600 -0.193 0.000 0.996 450 E CA 0.670 56.652 56.400 -0.698 0.000 0.869 450 E CB -0.332 28.569 29.700 -1.332 0.000 0.835 450 E HN 0.545 nan 8.360 nan 0.000 0.493 451 I N 2.697 123.246 120.570 -0.035 0.000 2.208 451 I HA -0.291 3.906 4.170 0.045 0.000 0.245 451 I C 2.697 178.821 176.117 0.012 0.000 1.097 451 I CA 2.018 63.346 61.300 0.046 0.000 1.363 451 I CB -0.520 37.568 38.000 0.146 0.000 1.051 451 I HN 0.214 nan 8.210 nan 0.000 0.413 452 E N 1.236 121.393 120.200 -0.072 0.000 2.153 452 E HA -0.230 4.147 4.350 0.045 0.000 0.194 452 E C 2.073 178.442 176.600 -0.385 0.000 0.988 452 E CA 1.474 57.726 56.400 -0.247 0.000 0.811 452 E CB -0.552 28.976 29.700 -0.286 0.000 0.746 452 E HN 0.438 nan 8.360 nan 0.000 0.466 453 F N 1.308 121.153 119.950 -0.175 0.000 2.163 453 F HA -0.059 4.495 4.527 0.046 0.000 0.297 453 F C 2.351 177.926 175.800 -0.374 0.000 1.094 453 F CA 0.533 58.374 58.000 -0.264 0.000 1.290 453 F CB -0.167 38.763 39.000 -0.117 0.000 1.017 453 F HN -0.030 nan 8.300 nan 0.000 0.483 454 I N -0.716 119.704 120.570 -0.251 0.000 2.286 454 I HA -0.280 3.917 4.170 0.045 0.000 0.248 454 I C 2.103 177.976 176.117 -0.407 0.000 1.115 454 I CA 1.580 62.568 61.300 -0.519 0.000 1.392 454 I CB -1.507 36.064 38.000 -0.715 0.000 1.065 454 I HN 0.078 nan 8.210 nan 0.000 0.418 455 F N 0.883 120.651 119.950 -0.303 0.000 2.661 455 F HA 0.199 4.752 4.527 0.044 0.000 0.298 455 F C 1.908 177.573 175.800 -0.224 0.000 1.137 455 F CA 0.887 58.751 58.000 -0.227 0.000 1.454 455 F CB -0.294 38.558 39.000 -0.247 0.000 1.103 455 F HN 0.298 nan 8.300 nan 0.000 0.577 456 G N -0.104 108.546 108.800 -0.249 0.000 2.132 456 G HA2 -0.291 3.696 3.960 0.045 0.000 0.228 456 G HA3 -0.291 3.696 3.960 0.045 0.000 0.228 456 G C 0.969 175.312 174.900 -0.929 0.000 1.000 456 G CA 0.296 45.132 45.100 -0.439 0.000 0.693 456 G HN 0.293 nan 8.290 nan 0.000 0.515 457 L N 0.403 121.105 121.223 -0.867 0.000 2.079 457 L HA 0.029 4.396 4.340 0.045 0.000 0.210 457 L C 0.398 176.734 176.870 -0.889 0.000 1.081 457 L CA 2.665 56.922 54.840 -0.972 0.000 0.752 457 L CB -0.906 40.837 42.059 -0.525 0.000 0.896 457 L HN 0.191 nan 8.230 nan 0.000 0.433 458 P HA -0.151 nan 4.420 nan 0.000 0.223 458 P C 1.580 178.641 177.300 -0.398 0.000 1.144 458 P CA 0.937 63.516 63.100 -0.868 0.000 0.783 458 P CB 0.048 31.253 31.700 -0.825 0.000 0.771 459 L N -1.341 119.587 121.223 -0.492 0.000 2.465 459 L HA -0.019 4.348 4.340 0.045 0.000 0.224 459 L C 0.847 177.635 176.870 -0.137 0.000 1.145 459 L CA 1.099 55.773 54.840 -0.276 0.000 0.834 459 L CB -0.895 41.017 42.059 -0.245 0.000 0.944 459 L HN -0.078 nan 8.230 nan 0.000 0.451 460 D N -0.691 119.599 120.400 -0.183 0.000 2.347 460 D HA 0.141 4.808 4.640 0.045 0.000 0.235 460 D C -1.696 174.621 176.300 0.028 0.000 1.149 460 D CA -2.302 51.713 54.000 0.024 0.000 0.850 460 D CB 1.567 42.431 40.800 0.107 0.000 1.061 460 D HN -0.100 nan 8.370 nan 0.000 0.487 461 P HA -0.147 nan 4.420 nan 0.000 0.216 461 P C 1.235 178.553 177.300 0.029 0.000 1.150 461 P CA 1.088 64.209 63.100 0.034 0.000 0.837 461 P CB 0.019 31.735 31.700 0.026 0.000 0.786 462 S N -1.212 114.504 115.700 0.026 0.000 2.537 462 S HA -0.062 4.435 4.470 0.045 0.000 0.240 462 S C 1.647 176.243 174.600 -0.006 0.000 0.981 462 S CA 0.758 58.963 58.200 0.007 0.000 0.948 462 S CB -1.416 61.789 63.200 0.008 0.000 0.759 462 S HN 0.115 nan 8.310 nan 0.000 0.531 463 L N 0.286 121.520 121.223 0.018 0.000 2.529 463 L HA 0.199 4.566 4.340 0.045 0.000 0.223 463 L C 0.421 177.222 176.870 -0.116 0.000 1.113 463 L CA 0.052 54.884 54.840 -0.014 0.000 0.861 463 L CB -0.543 41.582 42.059 0.110 0.000 1.012 463 L HN 0.247 nan 8.230 nan 0.000 0.461 464 N N -2.204 116.470 118.700 -0.043 0.000 2.925 464 N HA -0.207 4.560 4.740 0.045 0.000 0.244 464 N C -0.305 175.150 175.510 -0.092 0.000 1.000 464 N CA 0.720 53.723 53.050 -0.079 0.000 0.895 464 N CB -1.711 36.700 38.487 -0.127 0.000 1.119 464 N HN 0.255 nan 8.380 nan 0.000 0.569 465 Y N 1.514 121.798 120.300 -0.027 0.000 2.426 465 Y HA 0.120 4.696 4.550 0.044 0.000 0.344 465 Y C 2.053 177.974 175.900 0.035 0.000 1.256 465 Y CA 0.613 58.722 58.100 0.015 0.000 1.451 465 Y CB 0.358 38.813 38.460 -0.008 0.000 1.342 465 Y HN 0.091 nan 8.280 nan 0.000 0.600 466 T N -2.858 111.841 114.554 0.241 0.000 2.766 466 T HA 0.002 4.379 4.350 0.045 0.000 0.295 466 T C 1.266 176.044 174.700 0.130 0.000 1.024 466 T CA -0.121 62.068 62.100 0.148 0.000 1.018 466 T CB 1.145 70.091 68.868 0.129 0.000 1.002 466 T HN 0.798 nan 8.240 nan 0.000 0.532 467 T N -0.086 114.515 114.554 0.079 0.000 2.788 467 T HA -0.119 4.258 4.350 0.045 0.000 0.268 467 T C 1.654 176.387 174.700 0.054 0.000 1.044 467 T CA 1.834 63.968 62.100 0.056 0.000 1.139 467 T CB -0.661 68.228 68.868 0.035 0.000 0.867 467 T HN 0.753 nan 8.240 nan 0.000 0.454 468 E N 0.812 121.042 120.200 0.050 0.000 2.153 468 E HA -0.051 4.326 4.350 0.045 0.000 0.194 468 E C 2.237 178.871 176.600 0.056 0.000 0.988 468 E CA 1.082 57.496 56.400 0.024 0.000 0.811 468 E CB -0.108 29.581 29.700 -0.019 0.000 0.746 468 E HN 0.647 nan 8.360 nan 0.000 0.466 469 E N 0.006 120.281 120.200 0.125 0.000 2.152 469 E HA -0.103 4.274 4.350 0.045 0.000 0.192 469 E C 2.058 178.779 176.600 0.202 0.000 0.983 469 E CA 0.298 56.855 56.400 0.262 0.000 0.818 469 E CB 0.069 30.047 29.700 0.464 0.000 0.758 469 E HN 0.031 nan 8.360 nan 0.000 0.467 470 R N 1.039 121.592 120.500 0.089 0.000 2.073 470 R HA -0.138 4.229 4.340 0.045 0.000 0.234 470 R C 2.195 178.500 176.300 0.008 0.000 1.134 470 R CA 1.160 57.259 56.100 -0.001 0.000 0.952 470 R CB -0.398 29.898 30.300 -0.006 0.000 0.850 470 R HN 0.193 nan 8.270 nan 0.000 0.433 471 I N 0.348 120.942 120.570 0.039 0.000 2.208 471 I HA -0.305 3.892 4.170 0.045 0.000 0.245 471 I C 2.329 178.482 176.117 0.060 0.000 1.097 471 I CA 1.281 62.600 61.300 0.032 0.000 1.363 471 I CB -0.418 37.601 38.000 0.033 0.000 1.051 471 I HN 0.122 nan 8.210 nan 0.000 0.413 472 F N 1.816 121.722 119.950 -0.073 0.000 2.134 472 F HA -0.198 4.357 4.527 0.046 0.000 0.299 472 F C 2.434 178.211 175.800 -0.037 0.000 1.097 472 F CA 1.271 59.215 58.000 -0.093 0.000 1.264 472 F CB -0.590 38.293 39.000 -0.195 0.000 1.001 472 F HN 0.009 nan 8.300 nan 0.000 0.479 473 A N 0.117 122.875 122.820 -0.104 0.000 1.933 473 A HA -0.233 4.114 4.320 0.045 0.000 0.218 473 A C 2.152 179.596 177.584 -0.234 0.000 1.175 473 A CA 1.820 53.732 52.037 -0.207 0.000 0.628 473 A CB -0.865 18.037 19.000 -0.163 0.000 0.814 473 A HN 0.620 nan 8.150 nan 0.000 0.444 474 Q N -0.715 118.988 119.800 -0.161 0.000 2.124 474 Q HA -0.170 4.197 4.340 0.045 0.000 0.202 474 Q C 2.340 178.228 176.000 -0.186 0.000 0.977 474 Q CA 1.453 57.171 55.803 -0.142 0.000 0.850 474 Q CB -0.202 28.482 28.738 -0.089 0.000 0.901 474 Q HN 0.631 nan 8.270 nan 0.000 0.429 475 R N 0.398 120.767 120.500 -0.217 0.000 2.083 475 R HA -0.122 4.245 4.340 0.045 0.000 0.237 475 R C 2.323 178.346 176.300 -0.463 0.000 1.137 475 R CA 1.217 57.107 56.100 -0.351 0.000 0.951 475 R CB -0.336 29.816 30.300 -0.248 0.000 0.851 475 R HN 0.254 nan 8.270 nan 0.000 0.434 476 L N -0.019 121.001 121.223 -0.339 0.000 2.093 476 L HA -0.133 4.234 4.340 0.045 0.000 0.208 476 L C 2.494 179.307 176.870 -0.095 0.000 1.085 476 L CA 1.182 55.915 54.840 -0.178 0.000 0.755 476 L CB -0.344 41.459 42.059 -0.426 0.000 0.904 476 L HN 0.248 nan 8.230 nan 0.000 0.435 477 M N -0.718 118.772 119.600 -0.183 0.000 2.159 477 M HA -0.189 4.318 4.480 0.045 0.000 0.263 477 M C 2.324 178.615 176.300 -0.015 0.000 1.063 477 M CA 1.524 56.754 55.300 -0.117 0.000 1.110 477 M CB -0.302 32.216 32.600 -0.136 0.000 1.374 477 M HN 0.058 nan 8.290 nan 0.000 0.411 478 K N 0.004 120.360 120.400 -0.074 0.000 2.002 478 K HA -0.145 4.202 4.320 0.045 0.000 0.209 478 K C 1.924 178.574 176.600 0.083 0.000 1.048 478 K CA 1.785 58.040 56.287 -0.053 0.000 0.930 478 K CB -0.445 31.957 32.500 -0.163 0.000 0.714 478 K HN 0.304 nan 8.250 nan 0.000 0.438 479 Y N -0.167 120.251 120.300 0.197 0.000 2.097 479 Y HA -0.251 4.326 4.550 0.045 0.000 0.282 479 Y C 2.491 178.519 175.900 0.213 0.000 1.152 479 Y CA 0.897 59.143 58.100 0.243 0.000 1.136 479 Y CB -0.967 37.769 38.460 0.459 0.000 0.975 479 Y HN 0.244 nan 8.280 nan 0.000 0.498 480 W N 0.654 122.026 121.300 0.121 0.000 2.335 480 W HA -0.251 4.436 4.660 0.044 0.000 0.311 480 W C 2.530 179.047 176.519 -0.003 0.000 1.213 480 W CA 2.335 59.685 57.345 0.008 0.000 1.274 480 W CB -0.684 28.703 29.460 -0.122 0.000 1.148 480 W HN 0.259 nan 8.180 nan 0.000 0.498 481 T N -2.211 112.447 114.554 0.173 0.000 2.904 481 T HA -0.133 4.244 4.350 0.045 0.000 0.267 481 T C 1.439 176.165 174.700 0.043 0.000 1.059 481 T CA 1.189 63.325 62.100 0.060 0.000 1.137 481 T CB -0.619 68.262 68.868 0.021 0.000 0.879 481 T HN -0.088 nan 8.240 nan 0.000 0.467 482 N N 1.045 119.787 118.700 0.070 0.000 2.104 482 N HA -0.029 4.738 4.740 0.045 0.000 0.190 482 N C 1.357 176.862 175.510 -0.008 0.000 1.024 482 N CA 1.134 54.205 53.050 0.035 0.000 0.853 482 N CB -0.717 37.812 38.487 0.070 0.000 1.008 482 N HN 0.499 nan 8.380 nan 0.000 0.424 483 F N 1.538 121.403 119.950 -0.142 0.000 2.102 483 F HA -0.090 4.464 4.527 0.046 0.000 0.298 483 F C 2.171 177.886 175.800 -0.141 0.000 1.105 483 F CA 1.406 59.270 58.000 -0.226 0.000 1.239 483 F CB -0.480 38.291 39.000 -0.382 0.000 0.991 483 F HN 0.040 nan 8.300 nan 0.000 0.474 484 A N 0.681 123.449 122.820 -0.086 0.000 1.908 484 A HA -0.226 4.121 4.320 0.045 0.000 0.218 484 A C 2.350 179.829 177.584 -0.174 0.000 1.181 484 A CA 1.957 53.915 52.037 -0.131 0.000 0.627 484 A CB -0.773 18.207 19.000 -0.034 0.000 0.818 484 A HN 0.483 nan 8.150 nan 0.000 0.445 485 R N -1.348 119.075 120.500 -0.128 0.000 2.092 485 R HA -0.069 4.298 4.340 0.045 0.000 0.231 485 R C 1.929 178.142 176.300 -0.145 0.000 1.119 485 R CA 1.827 57.863 56.100 -0.106 0.000 0.970 485 R CB -0.176 30.087 30.300 -0.061 0.000 0.864 485 R HN 0.752 nan 8.270 nan 0.000 0.440 486 T N -5.970 108.466 114.554 -0.197 0.000 3.009 486 T HA 0.233 4.610 4.350 0.045 0.000 0.267 486 T C 1.141 175.693 174.700 -0.247 0.000 0.942 486 T CA 0.376 62.371 62.100 -0.175 0.000 0.883 486 T CB 1.339 70.144 68.868 -0.106 0.000 1.192 486 T HN 0.305 nan 8.240 nan 0.000 0.524 487 G N 1.352 109.858 108.800 -0.490 0.000 2.143 487 G HA2 -0.164 3.823 3.960 0.045 0.000 0.249 487 G HA3 -0.164 3.823 3.960 0.045 0.000 0.249 487 G C -0.367 174.408 174.900 -0.209 0.000 0.981 487 G CA 0.234 44.967 45.100 -0.612 0.000 0.665 487 G HN 0.813 nan 8.290 nan 0.000 0.528 488 D N -0.585 119.699 120.400 -0.194 0.000 2.855 488 D HA 0.429 5.096 4.640 0.045 0.000 0.241 488 D C -1.503 174.632 176.300 -0.275 0.000 1.277 488 D CA -1.522 52.338 54.000 -0.234 0.000 0.918 488 D CB 2.197 42.956 40.800 -0.069 0.000 1.462 488 D HN 0.018 nan 8.370 nan 0.000 0.559 489 P HA -0.019 nan 4.420 nan 0.000 0.241 489 P C -0.042 177.272 177.300 0.023 0.000 1.191 489 P CA -0.037 62.905 63.100 -0.263 0.000 0.771 489 P CB 0.449 31.731 31.700 -0.697 0.000 0.929 490 N N 1.734 120.410 118.700 -0.041 0.000 2.518 490 N HA 0.016 4.783 4.740 0.045 0.000 0.266 490 N C 0.158 175.735 175.510 0.111 0.000 1.196 490 N CA 0.336 53.462 53.050 0.127 0.000 0.947 490 N CB 0.471 39.025 38.487 0.112 0.000 1.098 490 N HN 0.040 nan 8.380 nan 0.000 0.450 491 D N 1.867 122.352 120.400 0.141 0.000 2.401 491 D HA 0.061 4.728 4.640 0.045 0.000 0.254 491 D C -1.303 175.035 176.300 0.063 0.000 1.192 491 D CA -1.324 52.728 54.000 0.087 0.000 0.885 491 D CB 1.172 42.019 40.800 0.080 0.000 1.147 491 D HN 0.278 nan 8.370 nan 0.000 0.478 492 P HA -0.074 nan 4.420 nan 0.000 0.218 492 P C 0.255 177.574 177.300 0.033 0.000 1.149 492 P CA 1.190 64.308 63.100 0.031 0.000 0.817 492 P CB 0.303 32.013 31.700 0.017 0.000 0.785 493 R N -0.087 120.433 120.500 0.032 0.000 2.803 493 R HA 0.691 5.058 4.340 0.045 0.000 0.276 493 R C -1.007 175.315 176.300 0.037 0.000 0.978 493 R CA -0.097 56.022 56.100 0.031 0.000 0.939 493 R CB -0.070 30.244 30.300 0.023 0.000 1.179 493 R HN 0.126 nan 8.270 nan 0.000 0.472 494 D N -0.032 120.390 120.400 0.037 0.000 2.984 494 D HA -0.132 4.535 4.640 0.045 0.000 0.208 494 D C 0.264 176.594 176.300 0.051 0.000 1.230 494 D CA 0.908 54.933 54.000 0.042 0.000 0.570 494 D CB -0.663 40.164 40.800 0.046 0.000 0.368 494 D HN 0.673 nan 8.370 nan 0.000 0.173 495 S N 3.061 118.787 115.700 0.044 0.000 2.407 495 S HA -0.031 4.466 4.470 0.045 0.000 0.192 495 S C 0.566 175.198 174.600 0.054 0.000 1.169 495 S CA 1.276 59.504 58.200 0.048 0.000 1.496 495 S CB -0.109 63.114 63.200 0.038 0.000 0.918 495 S HN 0.647 nan 8.310 nan 0.000 0.388 496 K N 2.864 123.292 120.400 0.046 0.000 2.344 496 K HA -0.095 4.252 4.320 0.045 0.000 0.240 496 K C 0.505 177.142 176.600 0.061 0.000 1.136 496 K CA 0.742 57.057 56.287 0.047 0.000 1.178 496 K CB -1.220 31.303 32.500 0.039 0.000 0.718 496 K HN 0.537 nan 8.250 nan 0.000 0.513 497 S N 4.730 120.467 115.700 0.063 0.000 2.850 497 S HA 0.207 4.704 4.470 0.045 0.000 0.252 497 S C -1.911 172.736 174.600 0.078 0.000 1.410 497 S CA -0.781 57.465 58.200 0.076 0.000 1.006 497 S CB -0.667 62.572 63.200 0.066 0.000 0.912 497 S HN 0.578 nan 8.310 nan 0.000 0.533 498 P HA 0.355 nan 4.420 nan 0.000 0.278 498 P C -0.729 176.640 177.300 0.115 0.000 1.238 498 P CA -0.501 62.645 63.100 0.076 0.000 0.794 498 P CB 0.396 32.123 31.700 0.045 0.000 0.955 499 Q N 0.675 120.553 119.800 0.130 0.000 2.306 499 Q HA 0.142 4.509 4.340 0.045 0.000 0.241 499 Q C -0.572 175.577 176.000 0.249 0.000 0.948 499 Q CA -0.007 55.909 55.803 0.188 0.000 0.886 499 Q CB 0.777 29.617 28.738 0.171 0.000 1.227 499 Q HN 0.563 nan 8.270 nan 0.000 0.457 500 W N 5.926 127.273 121.300 0.077 0.000 2.416 500 W HA 0.270 4.958 4.660 0.047 0.000 0.318 500 W C -2.398 174.256 176.519 0.225 0.000 1.150 500 W CA -2.364 55.038 57.345 0.095 0.000 1.392 500 W CB 0.282 29.732 29.460 -0.017 0.000 1.311 500 W HN 0.379 nan 8.180 nan 0.000 0.436 501 P HA 0.283 nan 4.420 nan 0.000 0.281 501 P C -2.641 174.865 177.300 0.343 0.000 1.249 501 P CA -1.836 61.492 63.100 0.380 0.000 0.810 501 P CB 1.156 32.988 31.700 0.219 0.000 1.008 502 P HA 0.025 nan 4.420 nan 0.000 0.266 502 P C -0.553 176.736 177.300 -0.018 0.000 1.195 502 P CA 0.312 63.219 63.100 -0.322 0.000 0.768 502 P CB -0.018 31.486 31.700 -0.326 0.000 0.838 503 Y N 3.143 123.389 120.300 -0.090 0.000 2.377 503 Y HA 0.338 4.914 4.550 0.044 0.000 0.330 503 Y C 0.441 176.331 175.900 -0.018 0.000 1.108 503 Y CA 0.591 58.705 58.100 0.024 0.000 1.308 503 Y CB 0.291 38.785 38.460 0.056 0.000 1.216 503 Y HN 0.397 nan 8.280 nan 0.000 0.518 504 T N 0.171 114.461 114.554 -0.441 0.000 2.906 504 T HA 0.252 4.629 4.350 0.045 0.000 0.295 504 T C 0.886 175.365 174.700 -0.368 0.000 1.075 504 T CA -0.204 61.744 62.100 -0.254 0.000 1.005 504 T CB 1.287 70.070 68.868 -0.142 0.000 1.136 504 T HN 0.648 nan 8.240 nan 0.000 0.498 505 T N -0.778 113.696 114.554 -0.132 0.000 2.821 505 T HA 0.025 4.402 4.350 0.045 0.000 0.267 505 T C 2.279 176.925 174.700 -0.091 0.000 1.046 505 T CA 0.987 63.040 62.100 -0.078 0.000 1.139 505 T CB -0.868 68.009 68.868 0.014 0.000 0.871 505 T HN 0.871 nan 8.240 nan 0.000 0.454 506 A N 2.058 124.830 122.820 -0.080 0.000 1.851 506 A HA 0.349 4.696 4.320 0.045 0.000 0.216 506 A C 2.711 180.254 177.584 -0.070 0.000 1.195 506 A CA 2.055 54.059 52.037 -0.055 0.000 0.622 506 A CB -1.307 17.670 19.000 -0.038 0.000 0.831 506 A HN 0.815 nan 8.150 nan 0.000 0.444 507 A N -2.527 120.229 122.820 -0.107 0.000 2.115 507 A HA 0.300 4.647 4.320 0.045 0.000 0.211 507 A C 0.919 178.431 177.584 -0.120 0.000 1.169 507 A CA 0.852 52.839 52.037 -0.083 0.000 0.787 507 A CB -0.200 18.766 19.000 -0.056 0.000 0.858 507 A HN 0.578 nan 8.150 nan 0.000 0.474 508 Q N -0.202 119.409 119.800 -0.315 0.000 2.453 508 Q HA -0.232 4.135 4.340 0.045 0.000 0.294 508 Q C -0.689 175.277 176.000 -0.057 0.000 1.295 508 Q CA 0.721 56.240 55.803 -0.473 0.000 0.853 508 Q CB -1.882 26.784 28.738 -0.121 0.000 1.193 508 Q HN 0.840 nan 8.270 nan 0.000 0.461 509 Q N 0.356 120.136 119.800 -0.033 0.000 2.327 509 Q HA 0.472 4.839 4.340 0.045 0.000 0.254 509 Q C -0.343 175.932 176.000 0.458 0.000 0.952 509 Q CA 0.037 55.947 55.803 0.178 0.000 0.884 509 Q CB 0.540 29.336 28.738 0.095 0.000 1.224 509 Q HN 0.351 nan 8.270 nan 0.000 0.422 510 Y N -1.638 118.799 120.300 0.227 0.000 2.655 510 Y HA 0.735 5.311 4.550 0.044 0.000 0.336 510 Y C -1.183 174.739 175.900 0.037 0.000 1.154 510 Y CA -1.570 56.673 58.100 0.238 0.000 1.055 510 Y CB 0.525 39.135 38.460 0.249 0.000 1.295 510 Y HN 0.359 nan 8.280 nan 0.000 0.465 511 V N -0.525 119.315 119.914 -0.123 0.000 2.864 511 V HA 0.852 4.999 4.120 0.045 0.000 0.314 511 V C -0.359 175.635 176.094 -0.166 0.000 1.073 511 V CA -0.620 61.447 62.300 -0.387 0.000 0.956 511 V CB 1.355 32.671 31.823 -0.843 0.000 1.023 511 V HN 1.208 nan 8.190 nan 0.000 0.435 512 S N 3.857 119.464 115.700 -0.156 0.000 2.475 512 S HA 0.694 5.191 4.470 0.045 0.000 0.281 512 S C -0.438 174.132 174.600 -0.050 0.000 1.198 512 S CA -0.658 57.527 58.200 -0.025 0.000 1.063 512 S CB 0.595 63.773 63.200 -0.036 0.000 0.972 512 S HN 0.763 nan 8.310 nan 0.000 0.486 513 L N 4.351 125.598 121.223 0.040 0.000 2.264 513 L HA 0.491 4.858 4.340 0.045 0.000 0.287 513 L C -0.081 176.756 176.870 -0.056 0.000 1.039 513 L CA -0.397 54.504 54.840 0.102 0.000 0.829 513 L CB -0.134 42.071 42.059 0.244 0.000 1.211 513 L HN 0.923 nan 8.230 nan 0.000 0.427 514 N N 2.277 120.891 118.700 -0.143 0.000 3.439 514 N HA 0.322 5.089 4.740 0.045 0.000 0.313 514 N C 0.230 175.270 175.510 -0.783 0.000 1.598 514 N CA -0.941 51.731 53.050 -0.629 0.000 0.830 514 N CB 0.564 38.822 38.487 -0.382 0.000 1.849 514 N HN 0.186 nan 8.380 nan 0.000 0.598 515 L N -0.770 119.975 121.223 -0.797 0.000 2.201 515 L HA 0.072 4.439 4.340 0.045 0.000 0.212 515 L C 0.540 177.265 176.870 -0.242 0.000 1.105 515 L CA 0.982 55.474 54.840 -0.580 0.000 0.775 515 L CB -0.497 41.282 42.059 -0.466 0.000 0.913 515 L HN 0.379 nan 8.230 nan 0.000 0.440 516 K N 0.209 120.498 120.400 -0.185 0.000 2.107 516 K HA 0.282 4.629 4.320 0.045 0.000 0.251 516 K C -2.180 174.397 176.600 -0.038 0.000 1.012 516 K CA -1.974 54.260 56.287 -0.089 0.000 0.920 516 K CB -0.100 32.353 32.500 -0.079 0.000 1.033 516 K HN -0.219 nan 8.250 nan 0.000 0.478 517 P HA -0.059 nan 4.420 nan 0.000 0.267 517 P C -0.335 176.973 177.300 0.014 0.000 1.201 517 P CA 0.009 63.125 63.100 0.027 0.000 0.775 517 P CB 0.349 32.063 31.700 0.022 0.000 0.854 518 L N 1.405 122.651 121.223 0.038 0.000 2.593 518 L HA -0.061 4.306 4.340 0.045 0.000 0.287 518 L C 1.183 178.017 176.870 -0.061 0.000 1.243 518 L CA 0.848 55.666 54.840 -0.036 0.000 0.890 518 L CB -0.245 41.783 42.059 -0.052 0.000 1.134 518 L HN 0.510 nan 8.230 nan 0.000 0.502 519 E N 3.092 123.229 120.200 -0.106 0.000 2.238 519 E HA 0.455 4.832 4.350 0.045 0.000 0.267 519 E C -1.480 175.019 176.600 -0.169 0.000 0.887 519 E CA -0.816 55.520 56.400 -0.105 0.000 0.769 519 E CB 2.129 31.777 29.700 -0.088 0.000 1.187 519 E HN 0.288 nan 8.360 nan 0.000 0.416 520 V N 4.469 124.296 119.914 -0.144 0.000 2.465 520 V HA 0.462 4.609 4.120 0.045 0.000 0.279 520 V C 0.243 176.194 176.094 -0.238 0.000 1.045 520 V CA -0.339 61.852 62.300 -0.181 0.000 0.938 520 V CB 1.130 32.905 31.823 -0.080 0.000 0.986 520 V HN 0.695 nan 8.190 nan 0.000 0.467 521 R N 3.602 123.836 120.500 -0.444 0.000 2.912 521 R HA 0.752 5.119 4.340 0.045 0.000 0.262 521 R C -0.944 175.178 176.300 -0.297 0.000 1.057 521 R CA -1.069 54.763 56.100 -0.446 0.000 0.981 521 R CB 2.480 32.347 30.300 -0.722 0.000 1.201 521 R HN 0.579 nan 8.270 nan 0.000 0.484 522 R N -0.045 120.456 120.500 0.002 0.000 2.513 522 R HA 0.490 4.857 4.340 0.045 0.000 0.301 522 R C -0.891 175.606 176.300 0.328 0.000 0.968 522 R CA -0.497 55.709 56.100 0.177 0.000 0.872 522 R CB 2.216 32.563 30.300 0.079 0.000 1.177 522 R HN 0.899 nan 8.270 nan 0.000 0.444 523 G N 2.456 111.497 108.800 0.401 0.000 3.405 523 G HA2 -0.196 3.791 3.960 0.045 0.000 0.676 523 G HA3 -0.196 3.791 3.960 0.045 0.000 0.676 523 G C -1.143 173.915 174.900 0.263 0.000 1.039 523 G CA -0.938 44.333 45.100 0.284 0.000 0.855 523 G HN 0.395 nan 8.290 nan 0.000 0.443 524 L N 4.278 125.534 121.223 0.055 0.000 2.356 524 L HA 0.544 4.911 4.340 0.045 0.000 0.282 524 L C 1.539 178.406 176.870 -0.005 0.000 1.132 524 L CA -0.395 54.317 54.840 -0.213 0.000 0.923 524 L CB -0.444 41.403 42.059 -0.353 0.000 1.278 524 L HN 0.688 nan 8.230 nan 0.000 0.436 525 R N 2.813 123.356 120.500 0.071 0.000 3.333 525 R HA -0.268 4.098 4.340 0.045 0.000 0.256 525 R C 1.273 177.661 176.300 0.146 0.000 1.010 525 R CA 0.704 56.881 56.100 0.128 0.000 0.680 525 R CB -2.146 28.240 30.300 0.143 0.000 1.102 525 R HN 0.761 nan 8.270 nan 0.000 0.440 526 A N 0.589 123.492 122.820 0.138 0.000 1.883 526 A HA -0.244 4.103 4.320 0.045 0.000 0.217 526 A C 2.088 179.757 177.584 0.143 0.000 1.186 526 A CA 1.271 53.390 52.037 0.136 0.000 0.624 526 A CB -0.093 18.982 19.000 0.125 0.000 0.822 526 A HN 0.402 nan 8.150 nan 0.000 0.444 527 Q N -0.738 119.146 119.800 0.140 0.000 2.016 527 Q HA -0.105 4.262 4.340 0.045 0.000 0.200 527 Q C 2.262 178.374 176.000 0.186 0.000 0.978 527 Q CA 2.084 57.972 55.803 0.142 0.000 0.833 527 Q CB -1.188 27.622 28.738 0.121 0.000 0.895 527 Q HN 0.639 nan 8.270 nan 0.000 0.427 528 T N 0.594 115.285 114.554 0.229 0.000 2.821 528 T HA -0.111 4.266 4.350 0.045 0.000 0.267 528 T C 2.006 176.926 174.700 0.366 0.000 1.046 528 T CA 1.105 63.375 62.100 0.284 0.000 1.139 528 T CB -0.238 68.842 68.868 0.353 0.000 0.871 528 T HN 0.312 nan 8.240 nan 0.000 0.454 529 c N 1.513 120.310 118.600 0.329 0.000 2.448 529 c HA 0.250 4.847 4.570 0.045 0.000 0.280 529 c C 3.100 177.353 174.090 0.270 0.000 1.398 529 c CA 0.003 56.540 56.329 0.347 0.000 1.774 529 c CB -1.367 41.278 42.510 0.224 0.000 1.888 529 c HN 0.637 nan 8.230 nan 0.000 0.519 530 A N 0.239 123.181 122.820 0.204 0.000 1.933 530 A HA -0.174 4.173 4.320 0.045 0.000 0.218 530 A C 1.857 179.530 177.584 0.149 0.000 1.175 530 A CA 1.548 53.677 52.037 0.154 0.000 0.628 530 A CB -0.764 18.311 19.000 0.124 0.000 0.814 530 A HN 0.564 nan 8.150 nan 0.000 0.444 531 F N -0.654 119.277 119.950 -0.031 0.000 2.069 531 F HA -0.197 4.359 4.527 0.048 0.000 0.298 531 F C 1.982 177.723 175.800 -0.098 0.000 1.113 531 F CA 1.915 59.820 58.000 -0.157 0.000 1.214 531 F CB -0.593 38.067 39.000 -0.567 0.000 0.978 531 F HN 0.369 nan 8.300 nan 0.000 0.474 532 W N 0.775 122.054 121.300 -0.035 0.000 2.358 532 W HA -0.181 4.505 4.660 0.043 0.000 0.303 532 W C 2.229 178.687 176.519 -0.103 0.000 1.208 532 W CA 1.230 58.506 57.345 -0.115 0.000 1.274 532 W CB -0.651 28.879 29.460 0.117 0.000 1.138 532 W HN 0.013 nan 8.180 nan 0.000 0.515 533 N N -0.613 118.200 118.700 0.189 0.000 2.395 533 N HA 0.030 4.797 4.740 0.045 0.000 0.175 533 N C 1.529 177.069 175.510 0.050 0.000 1.029 533 N CA 0.929 54.047 53.050 0.112 0.000 0.897 533 N CB -0.230 38.324 38.487 0.111 0.000 0.991 533 N HN 0.249 nan 8.380 nan 0.000 0.441 534 R N -1.328 119.199 120.500 0.046 0.000 2.167 534 R HA 0.227 4.594 4.340 0.045 0.000 0.195 534 R C 1.382 177.704 176.300 0.036 0.000 1.027 534 R CA 0.041 56.168 56.100 0.046 0.000 1.114 534 R CB -0.154 30.195 30.300 0.081 0.000 1.075 534 R HN 0.041 nan 8.270 nan 0.000 0.538 535 F N 1.628 121.479 119.950 -0.165 0.000 2.179 535 F HA 0.058 4.612 4.527 0.046 0.000 0.292 535 F C 1.996 177.618 175.800 -0.298 0.000 1.089 535 F CA 0.785 58.660 58.000 -0.209 0.000 1.295 535 F CB -0.223 38.662 39.000 -0.192 0.000 1.041 535 F HN -0.141 nan 8.300 nan 0.000 0.487 536 L N 1.085 121.973 121.223 -0.557 0.000 1.997 536 L HA -0.202 4.165 4.340 0.045 0.000 0.216 536 L C -0.440 176.196 176.870 -0.390 0.000 1.074 536 L CA 2.518 57.004 54.840 -0.591 0.000 0.763 536 L CB -2.182 39.562 42.059 -0.525 0.000 0.890 536 L HN 0.088 nan 8.230 nan 0.000 0.434 537 P HA -0.201 nan 4.420 nan 0.000 0.215 537 P C 1.469 178.639 177.300 -0.218 0.000 1.157 537 P CA 1.704 64.701 63.100 -0.172 0.000 0.874 537 P CB -0.018 31.620 31.700 -0.103 0.000 0.790 538 K N -1.042 119.190 120.400 -0.281 0.000 2.057 538 K HA -0.139 4.208 4.320 0.045 0.000 0.207 538 K C 2.031 178.420 176.600 -0.351 0.000 1.049 538 K CA 1.057 57.179 56.287 -0.276 0.000 0.931 538 K CB -0.953 31.395 32.500 -0.254 0.000 0.714 538 K HN 0.041 nan 8.250 nan 0.000 0.440 539 L N 1.486 122.356 121.223 -0.589 0.000 2.046 539 L HA -0.148 4.219 4.340 0.045 0.000 0.208 539 L C 1.885 178.595 176.870 -0.265 0.000 1.077 539 L CA 1.519 56.060 54.840 -0.499 0.000 0.747 539 L CB -0.299 41.358 42.059 -0.670 0.000 0.896 539 L HN 0.144 nan 8.230 nan 0.000 0.432 540 L N -0.942 120.138 121.223 -0.238 0.000 2.046 540 L HA -0.206 4.161 4.340 0.045 0.000 0.208 540 L C 2.750 179.554 176.870 -0.110 0.000 1.077 540 L CA 1.491 56.246 54.840 -0.142 0.000 0.747 540 L CB -0.749 41.241 42.059 -0.116 0.000 0.896 540 L HN 0.532 nan 8.230 nan 0.000 0.432 541 S N 0.346 115.977 115.700 -0.116 0.000 2.359 541 S HA -0.215 4.282 4.470 0.045 0.000 0.224 541 S C 2.114 176.668 174.600 -0.076 0.000 1.035 541 S CA 0.964 59.113 58.200 -0.085 0.000 1.018 541 S CB -0.635 62.517 63.200 -0.079 0.000 0.876 541 S HN 0.338 nan 8.310 nan 0.000 0.448 542 A N 0.761 123.526 122.820 -0.092 0.000 2.178 542 A HA 0.123 4.470 4.320 0.045 0.000 0.218 542 A C 1.831 179.379 177.584 -0.059 0.000 1.157 542 A CA 1.759 53.754 52.037 -0.070 0.000 0.689 542 A CB -1.360 17.594 19.000 -0.077 0.000 0.787 542 A HN 0.743 nan 8.150 nan 0.000 0.465 543 T N -2.526 111.986 114.554 -0.069 0.000 12.532 543 T HA -0.272 4.105 4.350 0.045 0.000 0.419 543 T C 0.713 175.385 174.700 -0.046 0.000 1.444 543 T CA 2.533 64.601 62.100 -0.054 0.000 2.384 543 T CB -1.534 67.312 68.868 -0.037 0.000 2.842 543 T HN 2.270 nan 8.240 nan 0.000 0.787 544 A N 0.000 122.799 122.820 -0.035 0.000 2.254 544 A HA 0.000 4.347 4.320 0.045 0.000 0.244 544 A CA 0.000 nan 52.037 nan 0.000 0.836 544 A CB 0.000 19.027 19.000 0.045 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486