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 2jgh_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 RFLPKLLSA 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 0.000 176.625 176.600 0.041 0.000 1.382 4 E CA 0.000 56.418 56.400 0.030 0.000 0.976 4 E CB 0.000 29.717 29.700 0.029 0.000 0.812 5 D N 4.435 124.867 120.400 0.053 0.000 2.382 5 D HA 0.071 4.736 4.640 0.042 0.000 0.259 5 D C -1.321 175.023 176.300 0.075 0.000 1.224 5 D CA -1.758 52.289 54.000 0.079 0.000 0.894 5 D CB 1.335 42.206 40.800 0.119 0.000 1.127 5 D HN 0.224 nan 8.370 nan 0.000 0.487 6 P HA -0.112 nan 4.420 nan 0.000 0.230 6 P C 0.979 178.298 177.300 0.032 0.000 1.158 6 P CA 0.556 63.678 63.100 0.037 0.000 0.769 6 P CB 0.528 32.238 31.700 0.017 0.000 0.807 7 Q N -0.331 119.486 119.800 0.029 0.000 2.230 7 Q HA 0.071 4.436 4.340 0.042 0.000 0.202 7 Q C 1.771 177.853 176.000 0.136 0.000 0.963 7 Q CA 0.859 56.656 55.803 -0.010 0.000 0.866 7 Q CB -0.234 28.365 28.738 -0.232 0.000 0.931 7 Q HN 0.410 nan 8.270 nan 0.000 0.452 8 L N 0.214 121.535 121.223 0.164 0.000 2.791 8 L HA 0.295 4.660 4.340 0.042 0.000 0.239 8 L C 0.150 177.185 176.870 0.277 0.000 1.203 8 L CA -0.093 54.866 54.840 0.198 0.000 1.002 8 L CB 0.333 42.426 42.059 0.057 0.000 1.295 8 L HN -0.033 nan 8.230 nan 0.000 0.504 9 L N 0.690 122.046 121.223 0.222 0.000 2.406 9 L HA 0.606 4.971 4.340 0.042 0.000 0.272 9 L C -1.219 175.686 176.870 0.058 0.000 0.980 9 L CA -0.438 54.498 54.840 0.159 0.000 0.831 9 L CB 2.493 44.606 42.059 0.089 0.000 1.253 9 L HN -0.226 nan 8.230 nan 0.000 0.406 10 V N 4.147 124.065 119.914 0.007 0.000 2.709 10 V HA 0.483 4.628 4.120 0.042 0.000 0.308 10 V C -0.442 175.571 176.094 -0.134 0.000 1.062 10 V CA -0.738 61.420 62.300 -0.236 0.000 0.901 10 V CB 2.266 33.648 31.823 -0.735 0.000 1.003 10 V HN 0.730 nan 8.190 nan 0.000 0.425 11 R N 3.955 124.356 120.500 -0.164 0.000 2.215 11 R HA 0.707 5.072 4.340 0.042 0.000 0.336 11 R C -0.700 175.516 176.300 -0.140 0.000 0.996 11 R CA -0.338 55.700 56.100 -0.104 0.000 0.847 11 R CB 1.333 31.577 30.300 -0.092 0.000 1.127 11 R HN 0.672 nan 8.270 nan 0.000 0.465 12 V N 1.719 121.595 119.914 -0.062 0.000 3.096 12 V HA 0.420 4.565 4.120 0.042 0.000 0.319 12 V C 1.279 177.307 176.094 -0.111 0.000 1.082 12 V CA -0.940 61.332 62.300 -0.046 0.000 1.022 12 V CB 1.611 33.561 31.823 0.212 0.000 1.103 12 V HN 0.832 nan 8.190 nan 0.000 0.455 13 R N 1.123 121.547 120.500 -0.127 0.000 2.261 13 R HA -0.068 4.297 4.340 0.042 0.000 0.236 13 R C 1.839 178.012 176.300 -0.212 0.000 1.141 13 R CA 1.502 57.515 56.100 -0.144 0.000 1.001 13 R CB -0.501 29.731 30.300 -0.114 0.000 0.866 13 R HN 0.995 nan 8.270 nan 0.000 0.468 14 G N -0.780 107.826 108.800 -0.323 0.000 2.986 14 G HA2 0.342 4.327 3.960 0.042 0.000 0.213 14 G HA3 0.342 4.327 3.960 0.042 0.000 0.213 14 G C 0.355 174.323 174.900 -1.553 0.000 1.156 14 G CA 0.468 45.114 45.100 -0.756 0.000 0.763 14 G HN 0.534 nan 8.290 nan 0.000 0.547 15 G N -0.856 107.322 108.800 -1.036 0.000 2.325 15 G HA2 0.160 4.145 3.960 0.042 0.000 0.285 15 G HA3 0.160 4.145 3.960 0.042 0.000 0.285 15 G C -1.328 173.483 174.900 -0.148 0.000 1.303 15 G CA -0.970 43.621 45.100 -0.848 0.000 0.970 15 G HN 0.301 nan 8.290 nan 0.000 0.490 16 Q N -0.706 119.186 119.800 0.153 0.000 2.222 16 Q HA 0.766 5.131 4.340 0.042 0.000 0.252 16 Q C -0.379 175.902 176.000 0.468 0.000 0.926 16 Q CA -0.415 55.542 55.803 0.256 0.000 0.899 16 Q CB 1.806 30.640 28.738 0.160 0.000 1.250 16 Q HN 0.490 nan 8.270 nan 0.000 0.441 17 L N 1.049 122.475 121.223 0.338 0.000 2.388 17 L HA 0.644 5.009 4.340 0.042 0.000 0.264 17 L C -0.670 176.377 176.870 0.295 0.000 0.998 17 L CA -0.865 54.181 54.840 0.344 0.000 0.817 17 L CB 2.194 44.510 42.059 0.428 0.000 1.338 17 L HN 0.446 nan 8.230 nan 0.000 0.414 18 R N 0.662 121.302 120.500 0.233 0.000 2.439 18 R HA 0.643 5.008 4.340 0.042 0.000 0.310 18 R C -0.223 176.123 176.300 0.076 0.000 0.955 18 R CA -0.353 55.848 56.100 0.170 0.000 0.853 18 R CB 1.691 32.041 30.300 0.082 0.000 1.171 18 R HN 0.836 nan 8.270 nan 0.000 0.449 19 G N 3.423 112.183 108.800 -0.068 0.000 2.525 19 G HA2 0.369 4.355 3.960 0.042 0.000 0.287 19 G HA3 0.369 4.355 3.960 0.042 0.000 0.287 19 G C -0.765 173.919 174.900 -0.360 0.000 1.350 19 G CA -0.718 44.025 45.100 -0.595 0.000 1.039 19 G HN 0.617 nan 8.290 nan 0.000 0.513 20 I N -1.168 119.159 120.570 -0.406 0.000 2.689 20 I HA 0.557 4.752 4.170 0.042 0.000 0.299 20 I C -0.046 175.946 176.117 -0.208 0.000 1.059 20 I CA -1.234 59.922 61.300 -0.241 0.000 1.055 20 I CB 2.085 39.955 38.000 -0.217 0.000 1.243 20 I HN 0.454 nan 8.210 nan 0.000 0.425 21 R N 7.093 127.515 120.500 -0.131 0.000 2.267 21 R HA 0.520 4.885 4.340 0.042 0.000 0.319 21 R C -1.549 174.674 176.300 -0.128 0.000 1.067 21 R CA -0.319 55.707 56.100 -0.123 0.000 0.936 21 R CB 0.632 30.818 30.300 -0.190 0.000 1.006 21 R HN 0.660 nan 8.270 nan 0.000 0.452 22 L N 3.135 124.302 121.223 -0.095 0.000 2.334 22 L HA 0.455 4.820 4.340 0.042 0.000 0.270 22 L C -0.384 176.440 176.870 -0.077 0.000 1.018 22 L CA -1.166 53.631 54.840 -0.072 0.000 0.811 22 L CB 1.725 43.772 42.059 -0.019 0.000 1.271 22 L HN 0.449 nan 8.230 nan 0.000 0.443 23 K N 1.841 122.199 120.400 -0.071 0.000 2.281 23 K HA 0.614 4.959 4.320 0.042 0.000 0.272 23 K C -0.854 175.709 176.600 -0.061 0.000 1.048 23 K CA -0.163 56.085 56.287 -0.065 0.000 0.898 23 K CB 1.295 33.763 32.500 -0.054 0.000 1.128 23 K HN 0.577 nan 8.250 nan 0.000 0.460 24 A N 5.519 128.309 122.820 -0.051 0.000 2.306 24 A HA 0.562 4.907 4.320 0.042 0.000 0.330 24 A C -1.916 175.697 177.584 0.047 0.000 1.146 24 A CA -1.714 50.304 52.037 -0.033 0.000 0.827 24 A CB 0.676 19.646 19.000 -0.051 0.000 1.178 24 A HN 0.678 nan 8.150 nan 0.000 0.490 25 P HA -0.059 nan 4.420 nan 0.000 0.218 25 P C 1.185 178.523 177.300 0.064 0.000 1.148 25 P CA 1.847 65.004 63.100 0.096 0.000 0.822 25 P CB 0.280 32.054 31.700 0.125 0.000 0.784 26 G N -2.185 106.658 108.800 0.071 0.000 3.126 26 G HA2 0.478 4.463 3.960 0.042 0.000 0.224 26 G HA3 0.478 4.463 3.960 0.042 0.000 0.224 26 G C 0.472 175.398 174.900 0.044 0.000 1.142 26 G CA 0.399 45.531 45.100 0.053 0.000 0.759 26 G HN 0.546 nan 8.290 nan 0.000 0.550 27 G N -0.409 108.413 108.800 0.036 0.000 2.324 27 G HA2 0.448 4.434 3.960 0.042 0.000 0.293 27 G HA3 0.448 4.434 3.960 0.042 0.000 0.293 27 G C -3.479 171.422 174.900 0.002 0.000 1.297 27 G CA -0.700 44.415 45.100 0.026 0.000 0.853 27 G HN 0.016 nan 8.290 nan 0.000 0.535 28 P HA 0.569 nan 4.420 nan 0.000 0.284 28 P C -0.313 177.017 177.300 0.050 0.000 1.258 28 P CA -0.496 62.550 63.100 -0.089 0.000 0.824 28 P CB 1.816 33.309 31.700 -0.345 0.000 1.038 29 V N -1.174 118.774 119.914 0.057 0.000 2.789 29 V HA 0.583 4.728 4.120 0.042 0.000 0.311 29 V C -0.184 176.026 176.094 0.193 0.000 1.073 29 V CA -0.852 61.559 62.300 0.185 0.000 0.921 29 V CB 1.592 33.517 31.823 0.172 0.000 1.009 29 V HN 0.445 nan 8.190 nan 0.000 0.426 30 S N 2.407 118.283 115.700 0.293 0.000 2.565 30 S HA 0.797 5.292 4.470 0.042 0.000 0.276 30 S C 0.190 174.800 174.600 0.016 0.000 1.326 30 S CA 0.109 58.410 58.200 0.169 0.000 1.045 30 S CB 1.250 64.640 63.200 0.316 0.000 0.918 30 S HN 1.652 nan 8.310 nan 0.000 0.505 31 A N 2.314 124.927 122.820 -0.344 0.000 2.374 31 A HA 0.777 5.123 4.320 0.042 0.000 0.305 31 A C -1.283 175.830 177.584 -0.784 0.000 1.053 31 A CA -0.674 51.074 52.037 -0.481 0.000 0.726 31 A CB 0.587 19.321 19.000 -0.442 0.000 1.229 31 A HN 0.660 nan 8.150 nan 0.000 0.431 32 F N 2.719 122.502 119.950 -0.278 0.000 2.434 32 F HA 0.481 5.033 4.527 0.042 0.000 0.367 32 F C -0.255 175.365 175.800 -0.300 0.000 1.093 32 F CA -0.313 57.602 58.000 -0.142 0.000 1.085 32 F CB 1.292 40.370 39.000 0.130 0.000 1.322 32 F HN 0.352 nan 8.300 nan 0.000 0.452 33 L N 1.986 123.059 121.223 -0.249 0.000 2.325 33 L HA 0.723 5.089 4.340 0.042 0.000 0.278 33 L C 0.948 177.718 176.870 -0.166 0.000 1.023 33 L CA -1.055 53.583 54.840 -0.337 0.000 0.811 33 L CB 1.726 43.386 42.059 -0.664 0.000 1.249 33 L HN 0.802 nan 8.230 nan 0.000 0.431 34 G N 2.852 111.616 108.800 -0.061 0.000 2.221 34 G HA2 -0.260 3.725 3.960 0.042 0.000 0.265 34 G HA3 -0.260 3.725 3.960 0.042 0.000 0.265 34 G C -0.007 174.925 174.900 0.054 0.000 1.041 34 G CA -0.287 44.780 45.100 -0.055 0.000 0.807 34 G HN 0.511 nan 8.290 nan 0.000 0.502 35 I N 2.053 122.664 120.570 0.069 0.000 2.517 35 I HA 0.195 4.390 4.170 0.042 0.000 0.285 35 I C -1.343 174.815 176.117 0.068 0.000 1.106 35 I CA -1.817 59.505 61.300 0.037 0.000 1.402 35 I CB 0.665 38.639 38.000 -0.042 0.000 1.399 35 I HN -0.010 nan 8.210 nan 0.000 0.535 36 P HA 0.034 nan 4.420 nan 0.000 0.276 36 P C -0.205 176.993 177.300 -0.169 0.000 1.235 36 P CA -0.013 62.949 63.100 -0.229 0.000 0.772 36 P CB 0.592 32.156 31.700 -0.227 0.000 0.871 37 F N 1.232 120.996 119.950 -0.310 0.000 2.706 37 F HA 0.708 5.260 4.527 0.042 0.000 0.308 37 F C 0.114 175.884 175.800 -0.049 0.000 1.095 37 F CA -0.708 57.160 58.000 -0.219 0.000 1.244 37 F CB 0.159 38.921 39.000 -0.397 0.000 1.063 37 F HN 0.327 nan 8.300 nan 0.000 0.582 38 A N 0.183 122.690 122.820 -0.522 0.000 2.587 38 A HA 0.561 4.907 4.320 0.042 0.000 0.293 38 A C -0.790 176.616 177.584 -0.297 0.000 1.087 38 A CA -0.823 51.029 52.037 -0.309 0.000 0.692 38 A CB 0.919 19.695 19.000 -0.372 0.000 1.291 38 A HN 0.078 nan 8.150 nan 0.000 0.407 39 E N 1.312 121.426 120.200 -0.144 0.000 2.452 39 E HA 0.172 4.547 4.350 0.042 0.000 0.261 39 E C -2.282 174.213 176.600 -0.175 0.000 0.987 39 E CA -1.106 55.223 56.400 -0.119 0.000 0.926 39 E CB -0.155 29.515 29.700 -0.049 0.000 0.934 39 E HN 0.233 nan 8.360 nan 0.000 0.452 40 P HA -0.007 nan 4.420 nan 0.000 0.260 40 P C -2.191 175.036 177.300 -0.121 0.000 1.185 40 P CA -0.744 62.259 63.100 -0.162 0.000 0.763 40 P CB -0.096 31.545 31.700 -0.099 0.000 0.776 41 P HA 0.013 nan 4.420 nan 0.000 0.218 41 P C -0.298 176.938 177.300 -0.106 0.000 1.793 41 P CA 0.072 63.111 63.100 -0.101 0.000 0.941 41 P CB -0.127 31.516 31.700 -0.096 0.000 1.919 42 V N -3.087 116.771 119.914 -0.093 0.000 3.096 42 V HA 0.878 5.023 4.120 0.042 0.000 0.319 42 V C 1.191 177.238 176.094 -0.078 0.000 1.103 42 V CA 0.068 62.312 62.300 -0.095 0.000 1.016 42 V CB 0.714 32.490 31.823 -0.078 0.000 1.090 42 V HN 0.499 nan 8.190 nan 0.000 0.449 43 G N 1.738 110.492 108.800 -0.077 0.000 2.686 43 G HA2 -0.425 3.560 3.960 0.042 0.000 0.329 43 G HA3 -0.425 3.560 3.960 0.042 0.000 0.329 43 G C 1.408 176.277 174.900 -0.051 0.000 1.187 43 G CA 1.932 47.000 45.100 -0.054 0.000 0.965 43 G HN 2.124 nan 8.290 nan 0.000 0.549 44 S N 0.107 115.789 115.700 -0.030 0.000 2.481 44 S HA 0.048 4.543 4.470 0.042 0.000 0.231 44 S C 2.027 176.618 174.600 -0.016 0.000 0.996 44 S CA 1.668 59.861 58.200 -0.012 0.000 0.942 44 S CB -0.144 63.056 63.200 -0.001 0.000 0.768 44 S HN 0.497 nan 8.310 nan 0.000 0.520 45 R N 1.187 121.663 120.500 -0.041 0.000 2.334 45 R HA 0.274 4.639 4.340 0.042 0.000 0.216 45 R C 0.600 176.853 176.300 -0.079 0.000 0.905 45 R CA -0.173 55.904 56.100 -0.039 0.000 1.064 45 R CB -0.415 29.862 30.300 -0.039 0.000 1.046 45 R HN 0.462 nan 8.270 nan 0.000 0.508 46 R N 0.561 120.967 120.500 -0.157 0.000 2.570 46 R HA -0.089 4.276 4.340 0.042 0.000 0.277 46 R C -0.161 175.935 176.300 -0.341 0.000 1.039 46 R CA 0.383 56.258 56.100 -0.375 0.000 1.065 46 R CB 0.123 30.066 30.300 -0.595 0.000 0.964 46 R HN 0.065 nan 8.270 nan 0.000 0.428 47 F N -0.699 119.254 119.950 0.004 0.000 2.825 47 F HA -0.323 4.230 4.527 0.042 0.000 0.358 47 F C 0.082 175.866 175.800 -0.027 0.000 0.639 47 F CA 0.748 58.727 58.000 -0.036 0.000 1.153 47 F CB -1.768 37.200 39.000 -0.054 0.000 1.610 47 F HN 0.470 nan 8.300 nan 0.000 0.305 48 M N 0.625 120.281 119.600 0.093 0.000 2.444 48 M HA 0.426 4.931 4.480 0.042 0.000 0.319 48 M C -2.019 174.307 176.300 0.042 0.000 1.183 48 M CA -1.573 53.767 55.300 0.067 0.000 1.032 48 M CB 0.864 33.492 32.600 0.047 0.000 1.569 48 M HN -0.389 nan 8.290 nan 0.000 0.468 49 P HA 0.044 nan 4.420 nan 0.000 0.266 49 P C -2.429 174.899 177.300 0.047 0.000 1.193 49 P CA -0.447 62.686 63.100 0.055 0.000 0.770 49 P CB -0.513 31.229 31.700 0.069 0.000 0.836 50 P HA 0.116 nan 4.420 nan 0.000 0.271 50 P C -0.636 176.700 177.300 0.060 0.000 1.218 50 P CA 0.159 63.287 63.100 0.047 0.000 0.780 50 P CB 0.849 32.604 31.700 0.092 0.000 0.901 51 E N 3.296 123.518 120.200 0.036 0.000 2.212 51 E HA 0.422 4.797 4.350 0.042 0.000 0.270 51 E C -2.318 174.324 176.600 0.068 0.000 0.956 51 E CA -2.521 53.912 56.400 0.055 0.000 0.825 51 E CB 0.082 29.805 29.700 0.039 0.000 1.167 51 E HN 0.343 nan 8.360 nan 0.000 0.400 52 P HA -0.079 nan 4.420 nan 0.000 0.264 52 P C -0.657 176.712 177.300 0.115 0.000 1.183 52 P CA -0.058 63.126 63.100 0.140 0.000 0.763 52 P CB 0.351 32.136 31.700 0.143 0.000 0.807 53 K N 4.178 124.660 120.400 0.137 0.000 2.484 53 K HA -0.023 4.322 4.320 0.042 0.000 0.280 53 K C 0.070 176.786 176.600 0.193 0.000 1.013 53 K CA 0.496 56.865 56.287 0.138 0.000 1.029 53 K CB 0.139 32.752 32.500 0.189 0.000 0.902 53 K HN 0.280 nan 8.250 nan 0.000 0.481 54 R N 5.093 125.691 120.500 0.162 0.000 2.594 54 R HA 0.168 4.533 4.340 0.042 0.000 0.272 54 R C -1.958 174.484 176.300 0.236 0.000 1.074 54 R CA -1.645 54.548 56.100 0.154 0.000 1.105 54 R CB 0.019 30.386 30.300 0.112 0.000 1.008 54 R HN 0.595 nan 8.270 nan 0.000 0.472 55 P HA -0.136 nan 4.420 nan 0.000 0.269 55 P C -1.237 176.153 177.300 0.149 0.000 1.205 55 P CA 0.411 63.492 63.100 -0.032 0.000 0.780 55 P CB 0.284 31.931 31.700 -0.089 0.000 0.858 56 W N -0.091 121.243 121.300 0.057 0.000 3.107 56 W HA 0.628 5.313 4.660 0.042 0.000 0.331 56 W C -0.836 175.709 176.519 0.043 0.000 1.204 56 W CA -1.045 56.330 57.345 0.051 0.000 1.184 56 W CB 0.063 29.560 29.460 0.061 0.000 1.421 56 W HN 0.398 nan 8.180 nan 0.000 0.544 57 S N 2.204 118.073 115.700 0.282 0.000 2.617 57 S HA 0.732 5.227 4.470 0.042 0.000 0.269 57 S C 0.776 175.524 174.600 0.246 0.000 1.292 57 S CA 0.389 58.693 58.200 0.174 0.000 1.010 57 S CB 0.700 63.973 63.200 0.122 0.000 0.944 57 S HN 2.327 nan 8.310 nan 0.000 0.536 58 G N 0.531 109.424 108.800 0.155 0.000 2.564 58 G HA2 -0.196 3.789 3.960 0.042 0.000 0.273 58 G HA3 -0.196 3.789 3.960 0.042 0.000 0.273 58 G C -0.481 174.550 174.900 0.219 0.000 1.242 58 G CA -0.091 45.099 45.100 0.151 0.000 0.951 58 G HN 1.697 nan 8.290 nan 0.000 0.564 59 V N 0.652 120.674 119.914 0.179 0.000 2.370 59 V HA 0.564 4.710 4.120 0.042 0.000 0.283 59 V C 0.411 176.594 176.094 0.149 0.000 1.023 59 V CA -0.444 61.971 62.300 0.191 0.000 0.857 59 V CB 1.325 33.221 31.823 0.121 0.000 0.985 59 V HN 0.814 nan 8.190 nan 0.000 0.443 60 L N 4.290 125.606 121.223 0.156 0.000 2.290 60 L HA 0.423 4.788 4.340 0.042 0.000 0.284 60 L C 0.262 177.125 176.870 -0.012 0.000 1.078 60 L CA 0.056 54.864 54.840 -0.053 0.000 0.815 60 L CB 1.050 42.880 42.059 -0.381 0.000 1.162 60 L HN 0.801 nan 8.230 nan 0.000 0.435 61 D N 4.495 124.866 120.400 -0.048 0.000 2.349 61 D HA 0.305 4.970 4.640 0.042 0.000 0.266 61 D C -0.111 176.147 176.300 -0.069 0.000 1.293 61 D CA 0.368 54.341 54.000 -0.046 0.000 0.926 61 D CB 0.828 41.590 40.800 -0.063 0.000 1.090 61 D HN 0.647 nan 8.370 nan 0.000 0.502 62 A N 3.474 126.276 122.820 -0.030 0.000 3.154 62 A HA 0.296 4.642 4.320 0.042 0.000 0.310 62 A C 0.938 178.440 177.584 -0.137 0.000 1.093 62 A CA -0.297 51.714 52.037 -0.044 0.000 1.006 62 A CB -0.182 18.885 19.000 0.112 0.000 1.084 62 A HN 0.596 nan 8.150 nan 0.000 0.549 63 T N -3.887 110.561 114.554 -0.177 0.000 3.044 63 T HA 0.321 4.697 4.350 0.042 0.000 0.260 63 T C 0.465 174.997 174.700 -0.279 0.000 1.019 63 T CA 0.506 62.467 62.100 -0.232 0.000 0.921 63 T CB 0.215 68.980 68.868 -0.172 0.000 1.053 63 T HN 0.353 nan 8.240 nan 0.000 0.533 64 T N 0.691 115.079 114.554 -0.277 0.000 2.900 64 T HA 0.600 4.975 4.350 0.042 0.000 0.303 64 T C -1.571 172.960 174.700 -0.282 0.000 1.142 64 T CA -0.771 61.156 62.100 -0.287 0.000 1.007 64 T CB 0.722 69.487 68.868 -0.171 0.000 1.156 64 T HN 0.086 nan 8.240 nan 0.000 0.490 65 F N 3.493 123.367 119.950 -0.127 0.000 2.538 65 F HA 0.304 4.857 4.527 0.042 0.000 0.371 65 F C 1.442 177.131 175.800 -0.184 0.000 1.087 65 F CA -0.145 57.780 58.000 -0.125 0.000 1.250 65 F CB 0.556 39.512 39.000 -0.073 0.000 1.110 65 F HN 0.415 nan 8.300 nan 0.000 0.570 66 Q N 2.171 121.947 119.800 -0.041 0.000 2.414 66 Q HA 0.140 4.505 4.340 0.042 0.000 0.206 66 Q C 0.057 175.969 176.000 -0.146 0.000 1.058 66 Q CA -0.532 55.091 55.803 -0.300 0.000 1.025 66 Q CB 0.479 28.682 28.738 -0.892 0.000 1.196 66 Q HN 0.537 nan 8.270 nan 0.000 0.586 67 N N -0.126 118.469 118.700 -0.175 0.000 2.395 67 N HA -0.016 4.749 4.740 0.042 0.000 0.246 67 N C -0.489 174.998 175.510 -0.037 0.000 1.246 67 N CA 0.160 53.161 53.050 -0.082 0.000 0.879 67 N CB 0.407 38.860 38.487 -0.057 0.000 1.098 67 N HN 0.180 nan 8.380 nan 0.000 0.444 68 V N 1.910 121.776 119.914 -0.080 0.000 2.583 68 V HA 0.037 4.182 4.120 0.042 0.000 0.287 68 V C 0.768 176.808 176.094 -0.089 0.000 1.051 68 V CA -0.773 61.465 62.300 -0.102 0.000 1.010 68 V CB 0.830 32.555 31.823 -0.165 0.000 0.988 68 V HN 0.720 nan 8.190 nan 0.000 0.478 69 c N 4.420 122.988 118.600 -0.054 0.000 2.634 69 c HA 0.067 4.662 4.570 0.042 0.000 0.417 69 c C 0.562 174.606 174.090 -0.076 0.000 1.334 69 c CA -0.544 55.761 56.329 -0.039 0.000 1.829 69 c CB -0.959 41.562 42.510 0.018 0.000 2.665 69 c HN 0.765 nan 8.230 nan 0.000 0.614 70 Y N 4.099 124.260 120.300 -0.233 0.000 2.745 70 Y HA 0.192 4.768 4.550 0.042 0.000 0.335 70 Y C 0.851 176.744 175.900 -0.012 0.000 1.212 70 Y CA 0.867 58.809 58.100 -0.264 0.000 1.535 70 Y CB -0.010 38.044 38.460 -0.676 0.000 1.220 70 Y HN 0.718 nan 8.280 nan 0.000 0.531 71 Q N 4.526 124.326 119.800 0.001 0.000 2.462 71 Q HA 0.239 4.604 4.340 0.042 0.000 0.285 71 Q C -1.639 174.524 176.000 0.271 0.000 1.035 71 Q CA -1.255 54.706 55.803 0.264 0.000 0.799 71 Q CB 1.393 30.242 28.738 0.186 0.000 1.452 71 Q HN 0.672 nan 8.270 nan 0.000 0.404 72 Y N 1.349 121.857 120.300 0.345 0.000 2.717 72 Y HA 0.202 4.777 4.550 0.042 0.000 0.330 72 Y C -0.830 175.224 175.900 0.257 0.000 1.217 72 Y CA 0.295 58.604 58.100 0.349 0.000 1.506 72 Y CB 0.661 39.443 38.460 0.536 0.000 1.268 72 Y HN 0.424 nan 8.280 nan 0.000 0.561 73 V N 6.553 126.225 119.914 -0.402 0.000 2.472 73 V HA 0.121 4.266 4.120 0.042 0.000 0.290 73 V C -0.439 175.290 176.094 -0.608 0.000 1.037 73 V CA -0.876 61.235 62.300 -0.315 0.000 0.908 73 V CB 1.595 33.291 31.823 -0.212 0.000 0.985 73 V HN 0.784 nan 8.190 nan 0.000 0.454 74 D N 2.704 123.015 120.400 -0.148 0.000 2.249 74 D HA 0.369 5.034 4.640 0.042 0.000 0.246 74 D C 0.726 177.066 176.300 0.067 0.000 1.114 74 D CA -0.082 53.953 54.000 0.059 0.000 0.854 74 D CB 1.499 42.536 40.800 0.394 0.000 1.132 74 D HN 0.687 nan 8.370 nan 0.000 0.461 75 T N 1.453 116.032 114.554 0.041 0.000 3.252 75 T HA 0.084 4.459 4.350 0.042 0.000 0.286 75 T C 1.359 176.064 174.700 0.009 0.000 1.013 75 T CA -0.452 61.660 62.100 0.020 0.000 0.914 75 T CB -0.170 68.676 68.868 -0.035 0.000 1.131 75 T HN 0.300 nan 8.240 nan 0.000 0.529 76 L N 0.549 121.788 121.223 0.026 0.000 2.093 76 L HA 0.251 4.616 4.340 0.042 0.000 0.208 76 L C -0.256 176.338 176.870 -0.461 0.000 1.085 76 L CA 1.426 56.130 54.840 -0.226 0.000 0.755 76 L CB -0.156 41.714 42.059 -0.314 0.000 0.904 76 L HN 0.438 nan 8.230 nan 0.000 0.435 77 Y N -0.552 119.769 120.300 0.035 0.000 2.705 77 Y HA 0.391 4.967 4.550 0.042 0.000 0.355 77 Y C -2.254 173.689 175.900 0.071 0.000 1.039 77 Y CA -3.042 55.062 58.100 0.006 0.000 1.233 77 Y CB 0.112 38.539 38.460 -0.054 0.000 1.103 77 Y HN 0.017 nan 8.280 nan 0.000 0.624 78 P HA 0.204 nan 4.420 nan 0.000 0.276 78 P C 0.937 178.291 177.300 0.090 0.000 1.235 78 P CA 0.660 63.812 63.100 0.086 0.000 0.772 78 P CB 1.126 32.843 31.700 0.028 0.000 0.871 79 G N 2.062 110.902 108.800 0.068 0.000 2.148 79 G HA2 -0.276 3.709 3.960 0.042 0.000 0.254 79 G HA3 -0.276 3.709 3.960 0.042 0.000 0.254 79 G C -0.232 174.708 174.900 0.068 0.000 0.981 79 G CA -0.302 44.820 45.100 0.037 0.000 0.670 79 G HN 0.550 nan 8.290 nan 0.000 0.528 80 F N 1.388 121.294 119.950 -0.074 0.000 2.405 80 F HA 0.671 5.223 4.527 0.042 0.000 0.355 80 F C 1.207 176.894 175.800 -0.188 0.000 1.121 80 F CA -1.012 56.894 58.000 -0.157 0.000 1.112 80 F CB 1.523 40.406 39.000 -0.196 0.000 1.126 80 F HN 0.070 nan 8.300 nan 0.000 0.481 81 E N 4.072 123.864 120.200 -0.680 0.000 2.130 81 E HA -0.094 4.281 4.350 0.042 0.000 0.196 81 E C 2.180 178.292 176.600 -0.814 0.000 0.998 81 E CA 1.990 58.019 56.400 -0.617 0.000 0.806 81 E CB -0.554 28.871 29.700 -0.460 0.000 0.738 81 E HN 0.916 nan 8.360 nan 0.000 0.459 82 G N -0.753 107.068 108.800 -1.631 0.000 2.442 82 G HA2 -0.327 3.658 3.960 0.042 0.000 0.219 82 G HA3 -0.327 3.658 3.960 0.042 0.000 0.219 82 G C 1.728 176.484 174.900 -0.239 0.000 1.141 82 G CA 1.797 46.139 45.100 -1.263 0.000 0.763 82 G HN 0.509 nan 8.290 nan 0.000 0.554 83 T N -2.100 112.316 114.554 -0.230 0.000 3.031 83 T HA 0.131 4.507 4.350 0.042 0.000 0.254 83 T C 1.885 176.705 174.700 0.200 0.000 1.060 83 T CA 0.881 63.202 62.100 0.369 0.000 1.135 83 T CB 0.047 69.218 68.868 0.505 0.000 0.896 83 T HN 0.183 nan 8.240 nan 0.000 0.472 84 E N 2.029 122.202 120.200 -0.045 0.000 2.347 84 E HA -0.023 4.352 4.350 0.042 0.000 0.196 84 E C 2.141 178.629 176.600 -0.186 0.000 1.008 84 E CA 1.018 57.369 56.400 -0.081 0.000 0.852 84 E CB -0.405 29.220 29.700 -0.125 0.000 0.783 84 E HN 0.815 nan 8.360 nan 0.000 0.505 85 M N -2.558 116.835 119.600 -0.345 0.000 2.476 85 M HA 0.002 4.507 4.480 0.042 0.000 0.262 85 M C 1.262 177.120 176.300 -0.737 0.000 1.079 85 M CA 1.215 56.152 55.300 -0.604 0.000 1.104 85 M CB -0.408 31.729 32.600 -0.771 0.000 1.409 85 M HN -0.020 nan 8.290 nan 0.000 0.467 86 W N 0.794 122.031 121.300 -0.105 0.000 2.996 86 W HA 0.281 4.966 4.660 0.041 0.000 0.270 86 W C 0.459 176.907 176.519 -0.118 0.000 1.280 86 W CA -0.942 56.330 57.345 -0.123 0.000 1.549 86 W CB -0.234 29.203 29.460 -0.040 0.000 1.079 86 W HN 0.074 nan 8.180 nan 0.000 0.629 87 N N 2.073 120.813 118.700 0.067 0.000 2.441 87 N HA 0.042 4.807 4.740 0.042 0.000 0.251 87 N C -2.371 173.084 175.510 -0.090 0.000 1.242 87 N CA -0.869 52.181 53.050 0.001 0.000 0.898 87 N CB -0.194 38.285 38.487 -0.014 0.000 1.100 87 N HN -0.288 nan 8.380 nan 0.000 0.443 88 P HA 0.021 nan 4.420 nan 0.000 0.264 88 P C 0.303 177.509 177.300 -0.157 0.000 1.183 88 P CA 0.055 63.062 63.100 -0.155 0.000 0.763 88 P CB 0.302 31.906 31.700 -0.161 0.000 0.807 89 N N 2.239 120.830 118.700 -0.183 0.000 2.214 89 N HA 0.070 4.835 4.740 0.042 0.000 0.214 89 N C 0.121 175.551 175.510 -0.133 0.000 1.132 89 N CA 0.026 52.978 53.050 -0.164 0.000 0.856 89 N CB 0.305 38.675 38.487 -0.195 0.000 1.020 89 N HN 0.135 nan 8.380 nan 0.000 0.509 90 R N -0.032 120.387 120.500 -0.135 0.000 2.855 90 R HA 0.325 4.690 4.340 0.042 0.000 0.266 90 R C -0.439 175.793 176.300 -0.113 0.000 1.034 90 R CA -0.671 55.366 56.100 -0.105 0.000 0.944 90 R CB 0.549 30.795 30.300 -0.091 0.000 1.219 90 R HN 0.078 nan 8.270 nan 0.000 0.474 91 E N 1.802 121.945 120.200 -0.096 0.000 2.529 91 E HA 0.019 4.395 4.350 0.042 0.000 0.259 91 E C 0.069 176.596 176.600 -0.123 0.000 0.966 91 E CA 0.279 56.620 56.400 -0.098 0.000 0.937 91 E CB 0.271 29.927 29.700 -0.073 0.000 0.923 91 E HN 0.276 nan 8.360 nan 0.000 0.468 92 L N 2.057 123.175 121.223 -0.175 0.000 2.467 92 L HA 0.182 4.547 4.340 0.042 0.000 0.270 92 L C 0.848 177.656 176.870 -0.104 0.000 1.205 92 L CA 0.286 54.969 54.840 -0.262 0.000 0.828 92 L CB 0.545 42.234 42.059 -0.618 0.000 1.101 92 L HN 0.447 nan 8.230 nan 0.000 0.479 93 S N 0.282 115.963 115.700 -0.033 0.000 2.614 93 S HA 0.141 4.636 4.470 0.042 0.000 0.280 93 S C -0.004 174.590 174.600 -0.011 0.000 1.111 93 S CA -0.687 57.539 58.200 0.043 0.000 0.847 93 S CB 1.358 64.559 63.200 0.002 0.000 1.079 93 S HN 0.736 nan 8.310 nan 0.000 0.452 94 E N 0.742 120.894 120.200 -0.079 0.000 2.299 94 E HA -0.012 4.364 4.350 0.042 0.000 0.193 94 E C -0.342 176.201 176.600 -0.094 0.000 0.998 94 E CA 0.263 56.559 56.400 -0.173 0.000 0.851 94 E CB 0.109 29.656 29.700 -0.256 0.000 0.795 94 E HN 0.538 nan 8.360 nan 0.000 0.492 95 D N 0.490 120.866 120.400 -0.040 0.000 2.383 95 D HA -0.017 4.648 4.640 0.042 0.000 0.245 95 D C 0.117 176.498 176.300 0.135 0.000 1.263 95 D CA -0.102 53.905 54.000 0.012 0.000 0.936 95 D CB 0.151 40.977 40.800 0.043 0.000 1.053 95 D HN 0.175 nan 8.370 nan 0.000 0.507 96 c N 2.591 121.227 118.600 0.061 0.000 4.150 96 c HA 0.305 4.900 4.570 0.042 0.000 0.330 96 c C 0.650 174.762 174.090 0.036 0.000 1.905 96 c CA -0.598 55.835 56.329 0.173 0.000 1.724 96 c CB -1.108 41.444 42.510 0.071 0.000 3.096 96 c HN 0.442 nan 8.230 nan 0.000 0.601 97 L N 2.581 123.552 121.223 -0.419 0.000 2.382 97 L HA 0.370 4.736 4.340 0.042 0.000 0.259 97 L C -0.928 175.211 176.870 -1.219 0.000 1.291 97 L CA 0.604 54.976 54.840 -0.780 0.000 1.176 97 L CB -0.771 40.736 42.059 -0.920 0.000 1.373 97 L HN 0.380 nan 8.230 nan 0.000 0.426 98 Y N 1.782 121.991 120.300 -0.152 0.000 2.499 98 Y HA 0.618 5.193 4.550 0.042 0.000 0.347 98 Y C -0.016 176.080 175.900 0.328 0.000 0.987 98 Y CA -1.226 56.891 58.100 0.028 0.000 1.044 98 Y CB 2.012 40.465 38.460 -0.012 0.000 1.245 98 Y HN 0.201 nan 8.280 nan 0.000 0.461 99 L N 0.093 121.524 121.223 0.347 0.000 2.301 99 L HA 0.783 5.149 4.340 0.042 0.000 0.264 99 L C -1.165 175.730 176.870 0.040 0.000 1.016 99 L CA -1.156 53.770 54.840 0.144 0.000 0.821 99 L CB 1.567 43.552 42.059 -0.124 0.000 1.346 99 L HN 0.458 nan 8.230 nan 0.000 0.429 100 N N 0.129 118.852 118.700 0.038 0.000 2.272 100 N HA 0.731 5.496 4.740 0.042 0.000 0.305 100 N C -1.492 173.933 175.510 -0.141 0.000 1.103 100 N CA -0.463 52.511 53.050 -0.128 0.000 0.791 100 N CB 2.792 41.188 38.487 -0.153 0.000 1.356 100 N HN 0.505 nan 8.380 nan 0.000 0.486 101 V N 1.404 121.155 119.914 -0.272 0.000 2.569 101 V HA 0.407 4.552 4.120 0.042 0.000 0.301 101 V C -0.887 175.162 176.094 -0.075 0.000 1.044 101 V CA -0.798 61.443 62.300 -0.099 0.000 0.874 101 V CB 2.010 33.636 31.823 -0.329 0.000 1.002 101 V HN 0.553 nan 8.190 nan 0.000 0.424 102 W N 3.127 124.541 121.300 0.189 0.000 2.478 102 W HA 0.672 5.357 4.660 0.043 0.000 0.318 102 W C 0.291 176.935 176.519 0.210 0.000 1.062 102 W CA -0.405 57.057 57.345 0.195 0.000 1.210 102 W CB 2.355 31.900 29.460 0.141 0.000 1.325 102 W HN 0.635 nan 8.180 nan 0.000 0.496 103 T N 0.165 114.989 114.554 0.451 0.000 2.906 103 T HA 0.517 4.892 4.350 0.042 0.000 0.295 103 T C -2.675 172.208 174.700 0.304 0.000 1.075 103 T CA -2.381 59.930 62.100 0.351 0.000 1.005 103 T CB 2.294 71.376 68.868 0.357 0.000 1.136 103 T HN 0.044 nan 8.240 nan 0.000 0.498 104 P HA 0.100 nan 4.420 nan 0.000 0.267 104 P C -1.408 176.024 177.300 0.220 0.000 1.200 104 P CA -0.102 63.119 63.100 0.202 0.000 0.772 104 P CB 0.163 31.951 31.700 0.147 0.000 0.855 105 Y N 4.880 125.245 120.300 0.109 0.000 2.369 105 Y HA 0.359 4.934 4.550 0.042 0.000 0.337 105 Y C -1.900 174.041 175.900 0.069 0.000 0.961 105 Y CA -2.431 55.723 58.100 0.090 0.000 1.186 105 Y CB 1.127 39.628 38.460 0.069 0.000 1.139 105 Y HN 0.303 nan 8.280 nan 0.000 0.494 106 P HA 0.204 nan 4.420 nan 0.000 0.281 106 P C -1.000 176.236 177.300 -0.107 0.000 1.249 106 P CA -0.662 62.244 63.100 -0.324 0.000 0.810 106 P CB 0.962 32.526 31.700 -0.227 0.000 1.008 107 R N 3.006 123.438 120.500 -0.112 0.000 3.097 107 R HA -0.068 4.297 4.340 0.042 0.000 0.253 107 R C -1.695 174.615 176.300 0.016 0.000 0.766 107 R CA -0.080 56.022 56.100 0.004 0.000 1.062 107 R CB -1.164 29.124 30.300 -0.020 0.000 0.935 107 R HN 0.408 nan 8.270 nan 0.000 0.388 108 P HA -0.115 nan 4.420 nan 0.000 0.266 108 P C -0.305 177.011 177.300 0.026 0.000 1.186 108 P CA 0.661 63.790 63.100 0.048 0.000 0.767 108 P CB 0.734 32.475 31.700 0.069 0.000 0.820 109 A N 3.118 125.949 122.820 0.020 0.000 1.854 109 A HA -0.024 4.321 4.320 0.042 0.000 0.214 109 A C 1.195 178.784 177.584 0.009 0.000 1.192 109 A CA 1.765 53.807 52.037 0.009 0.000 0.611 109 A CB -1.021 17.984 19.000 0.009 0.000 0.832 109 A HN 0.707 nan 8.150 nan 0.000 0.442 110 S N -0.927 114.781 115.700 0.014 0.000 2.747 110 S HA 0.609 5.104 4.470 0.042 0.000 0.300 110 S C -3.059 171.553 174.600 0.020 0.000 1.121 110 S CA -1.805 56.402 58.200 0.011 0.000 0.995 110 S CB 0.668 63.872 63.200 0.007 0.000 1.113 110 S HN 0.057 nan 8.310 nan 0.000 0.547 111 P HA 0.190 nan 4.420 nan 0.000 0.262 111 P C -0.765 176.551 177.300 0.027 0.000 1.199 111 P CA 0.287 63.401 63.100 0.023 0.000 0.763 111 P CB 0.016 31.722 31.700 0.011 0.000 0.790 112 T N 4.693 119.274 114.554 0.046 0.000 2.823 112 T HA 0.408 4.784 4.350 0.042 0.000 0.279 112 T C -2.537 172.196 174.700 0.055 0.000 0.998 112 T CA -2.342 59.787 62.100 0.049 0.000 0.994 112 T CB 0.901 69.810 68.868 0.069 0.000 0.960 112 T HN 0.101 nan 8.240 nan 0.000 0.448 113 P HA 0.033 nan 4.420 nan 0.000 0.261 113 P C -0.760 176.587 177.300 0.078 0.000 1.165 113 P CA 0.039 63.166 63.100 0.044 0.000 0.759 113 P CB 0.252 31.964 31.700 0.019 0.000 0.772 114 V N 5.445 125.421 119.914 0.104 0.000 2.435 114 V HA 0.287 4.433 4.120 0.042 0.000 0.290 114 V C 0.310 176.493 176.094 0.150 0.000 1.030 114 V CA -0.487 61.895 62.300 0.137 0.000 0.881 114 V CB 1.223 33.137 31.823 0.152 0.000 0.983 114 V HN 0.274 nan 8.190 nan 0.000 0.445 115 L N 6.002 127.325 121.223 0.167 0.000 2.296 115 L HA 0.563 4.929 4.340 0.042 0.000 0.286 115 L C -0.287 176.830 176.870 0.413 0.000 1.023 115 L CA 0.094 55.061 54.840 0.212 0.000 0.812 115 L CB 1.380 43.424 42.059 -0.025 0.000 1.223 115 L HN 0.463 nan 8.230 nan 0.000 0.421 116 I N 2.915 123.749 120.570 0.441 0.000 2.339 116 I HA 0.227 4.422 4.170 0.042 0.000 0.290 116 I C -0.685 175.701 176.117 0.449 0.000 0.994 116 I CA -0.424 61.109 61.300 0.389 0.000 1.191 116 I CB 1.116 39.221 38.000 0.175 0.000 1.343 116 I HN 0.646 nan 8.210 nan 0.000 0.458 117 W N 8.484 129.883 121.300 0.164 0.000 2.438 117 W HA 0.605 5.290 4.660 0.041 0.000 0.324 117 W C -1.626 174.783 176.519 -0.184 0.000 1.119 117 W CA -0.721 56.482 57.345 -0.235 0.000 1.221 117 W CB 1.296 30.618 29.460 -0.230 0.000 1.253 117 W HN 0.328 nan 8.180 nan 0.000 0.555 118 I N 8.642 128.459 120.570 -1.254 0.000 2.448 118 I HA 0.068 4.263 4.170 0.042 0.000 0.281 118 I C -0.364 174.917 176.117 -1.393 0.000 1.027 118 I CA -1.127 59.567 61.300 -1.010 0.000 1.111 118 I CB 0.768 38.375 38.000 -0.655 0.000 1.236 118 I HN 0.307 nan 8.210 nan 0.000 0.452 119 Y N 4.333 124.195 120.300 -0.731 0.000 2.652 119 Y HA 0.521 5.096 4.550 0.042 0.000 0.344 119 Y C 0.909 176.639 175.900 -0.284 0.000 1.254 119 Y CA -0.598 57.241 58.100 -0.435 0.000 1.480 119 Y CB -0.162 38.280 38.460 -0.030 0.000 1.345 119 Y HN 0.549 nan 8.280 nan 0.000 0.617 120 G N -0.341 108.446 108.800 -0.022 0.000 2.510 120 G HA2 0.466 4.451 3.960 0.042 0.000 0.280 120 G HA3 0.466 4.451 3.960 0.042 0.000 0.280 120 G C 0.547 175.390 174.900 -0.095 0.000 1.386 120 G CA -0.798 44.219 45.100 -0.139 0.000 1.047 120 G HN 1.739 nan 8.290 nan 0.000 0.527 121 G N -3.305 105.271 108.800 -0.374 0.000 2.321 121 G HA2 0.390 4.375 3.960 0.042 0.000 0.174 121 G HA3 0.390 4.375 3.960 0.042 0.000 0.174 121 G C 1.127 175.426 174.900 -1.001 0.000 1.008 121 G CA 0.818 45.588 45.100 -0.550 0.000 0.739 121 G HN 2.380 nan 8.290 nan 0.000 0.502 122 G N -0.605 107.623 108.800 -0.953 0.000 2.162 122 G HA2 -0.111 3.875 3.960 0.042 0.000 0.260 122 G HA3 -0.111 3.875 3.960 0.042 0.000 0.260 122 G C 0.869 175.389 174.900 -0.634 0.000 0.976 122 G CA 0.746 45.057 45.100 -1.315 0.000 0.655 122 G HN 1.688 nan 8.290 nan 0.000 0.533 123 F N -3.139 116.626 119.950 -0.308 0.000 2.794 123 F HA -0.297 4.256 4.527 0.042 0.000 0.335 123 F C 1.419 177.316 175.800 0.162 0.000 0.653 123 F CA 2.205 60.196 58.000 -0.016 0.000 1.266 123 F CB -2.009 36.860 39.000 -0.218 0.000 1.666 123 F HN 0.953 nan 8.300 nan 0.000 0.314 124 Y N -1.368 119.025 120.300 0.156 0.000 2.426 124 Y HA 0.652 5.227 4.550 0.042 0.000 0.249 124 Y C 0.734 176.765 175.900 0.219 0.000 1.103 124 Y CA 0.301 58.524 58.100 0.204 0.000 1.256 124 Y CB -0.114 38.407 38.460 0.102 0.000 1.208 124 Y HN 0.066 nan 8.280 nan 0.000 0.519 125 S N -0.707 114.820 115.700 -0.289 0.000 2.819 125 S HA 0.890 5.385 4.470 0.042 0.000 0.299 125 S C 0.023 174.492 174.600 -0.220 0.000 1.192 125 S CA -0.555 57.563 58.200 -0.137 0.000 0.847 125 S CB 1.446 64.594 63.200 -0.087 0.000 1.224 125 S HN 1.370 nan 8.310 nan 0.000 0.537 126 G N -0.694 107.923 108.800 -0.305 0.000 2.570 126 G HA2 0.515 4.500 3.960 0.042 0.000 0.686 126 G HA3 0.515 4.500 3.960 0.042 0.000 0.686 126 G C -0.571 173.600 174.900 -1.216 0.000 1.257 126 G CA -0.288 44.439 45.100 -0.623 0.000 0.846 126 G HN 2.188 nan 8.290 nan 0.000 0.627 127 A N -0.979 121.063 122.820 -1.297 0.000 2.605 127 A HA 1.001 5.346 4.320 0.042 0.000 0.294 127 A C 0.474 177.893 177.584 -0.276 0.000 1.062 127 A CA 0.585 52.109 52.037 -0.855 0.000 0.682 127 A CB 0.904 19.661 19.000 -0.405 0.000 1.278 127 A HN 2.610 nan 8.150 nan 0.000 0.410 128 A N 0.335 123.219 122.820 0.107 0.000 2.278 128 A HA 0.379 4.724 4.320 0.042 0.000 0.212 128 A C 1.342 178.972 177.584 0.076 0.000 1.213 128 A CA 1.371 53.641 52.037 0.389 0.000 0.840 128 A CB -0.646 18.645 19.000 0.485 0.000 0.866 128 A HN 1.766 nan 8.150 nan 0.000 0.489 129 S N -0.930 114.573 115.700 -0.329 0.000 2.559 129 S HA 0.376 4.872 4.470 0.042 0.000 0.226 129 S C 0.351 174.518 174.600 -0.721 0.000 1.000 129 S CA -0.458 57.094 58.200 -1.080 0.000 0.948 129 S CB -0.463 61.966 63.200 -1.285 0.000 0.870 129 S HN 0.334 nan 8.310 nan 0.000 0.497 130 L N 2.333 123.263 121.223 -0.488 0.000 2.483 130 L HA 0.177 4.542 4.340 0.042 0.000 0.275 130 L C 1.157 177.683 176.870 -0.574 0.000 1.220 130 L CA -0.444 54.048 54.840 -0.581 0.000 0.833 130 L CB 0.241 41.805 42.059 -0.825 0.000 1.102 130 L HN 0.087 nan 8.230 nan 0.000 0.490 131 D N 1.048 121.160 120.400 -0.480 0.000 2.123 131 D HA -0.154 4.511 4.640 0.042 0.000 0.196 131 D C 2.010 178.030 176.300 -0.466 0.000 0.992 131 D CA 1.460 55.243 54.000 -0.362 0.000 0.833 131 D CB -0.129 40.499 40.800 -0.286 0.000 0.954 131 D HN 0.531 nan 8.370 nan 0.000 0.455 132 V N -1.166 118.330 119.914 -0.696 0.000 3.026 132 V HA -0.182 3.964 4.120 0.042 0.000 0.265 132 V C 1.045 176.549 176.094 -0.983 0.000 1.121 132 V CA 1.105 62.957 62.300 -0.746 0.000 1.142 132 V CB -1.242 30.119 31.823 -0.770 0.000 0.730 132 V HN 0.081 nan 8.190 nan 0.000 0.503 133 Y N 0.472 120.204 120.300 -0.945 0.000 2.625 133 Y HA 0.477 5.052 4.550 0.042 0.000 0.285 133 Y C 0.680 175.978 175.900 -1.003 0.000 1.168 133 Y CA -2.114 55.065 58.100 -1.536 0.000 1.250 133 Y CB -0.876 36.981 38.460 -1.006 0.000 1.130 133 Y HN 0.287 nan 8.280 nan 0.000 0.526 134 D N 0.635 120.705 120.400 -0.549 0.000 2.358 134 D HA 0.138 4.803 4.640 0.042 0.000 0.258 134 D C 1.313 177.241 176.300 -0.619 0.000 1.223 134 D CA 0.225 53.952 54.000 -0.455 0.000 0.886 134 D CB 1.352 42.021 40.800 -0.218 0.000 1.120 134 D HN 0.418 nan 8.370 nan 0.000 0.482 135 G N 4.081 111.952 108.800 -1.550 0.000 3.141 135 G HA2 -0.126 3.859 3.960 0.042 0.000 0.218 135 G HA3 -0.126 3.859 3.960 0.042 0.000 0.218 135 G C 1.407 175.752 174.900 -0.925 0.000 1.170 135 G CA -0.032 44.390 45.100 -1.131 0.000 0.769 135 G HN 0.589 nan 8.290 nan 0.000 0.546 136 R N -0.173 119.721 120.500 -1.010 0.000 2.081 136 R HA -0.067 4.298 4.340 0.042 0.000 0.235 136 R C 1.626 177.672 176.300 -0.423 0.000 1.131 136 R CA 1.256 57.004 56.100 -0.587 0.000 0.960 136 R CB -0.758 29.210 30.300 -0.554 0.000 0.856 136 R HN 0.300 nan 8.270 nan 0.000 0.436 137 F N 1.702 121.581 119.950 -0.119 0.000 2.084 137 F HA -0.019 4.533 4.527 0.043 0.000 0.296 137 F C 2.479 178.241 175.800 -0.063 0.000 1.111 137 F CA 0.915 58.871 58.000 -0.074 0.000 1.224 137 F CB -0.778 38.169 39.000 -0.088 0.000 0.991 137 F HN -0.117 nan 8.300 nan 0.000 0.471 138 L N -0.169 121.111 121.223 0.094 0.000 2.131 138 L HA -0.199 4.166 4.340 0.042 0.000 0.210 138 L C 2.651 179.550 176.870 0.049 0.000 1.092 138 L CA 1.045 55.901 54.840 0.026 0.000 0.759 138 L CB -0.909 41.118 42.059 -0.053 0.000 0.903 138 L HN 0.200 nan 8.230 nan 0.000 0.435 139 A N -1.034 121.819 122.820 0.054 0.000 1.873 139 A HA -0.206 4.140 4.320 0.042 0.000 0.215 139 A C 2.276 179.923 177.584 0.106 0.000 1.186 139 A CA 1.365 53.472 52.037 0.116 0.000 0.616 139 A CB -0.399 18.714 19.000 0.188 0.000 0.823 139 A HN 0.374 nan 8.150 nan 0.000 0.442 140 Q N -0.039 119.811 119.800 0.083 0.000 1.922 140 Q HA -0.077 4.288 4.340 0.042 0.000 0.201 140 Q C 2.234 178.284 176.000 0.084 0.000 0.979 140 Q CA 2.016 57.872 55.803 0.089 0.000 0.841 140 Q CB -0.516 28.267 28.738 0.074 0.000 0.903 140 Q HN 0.355 nan 8.270 nan 0.000 0.431 141 V N 1.751 121.717 119.914 0.088 0.000 2.392 141 V HA -0.200 3.946 4.120 0.042 0.000 0.249 141 V C 1.916 178.039 176.094 0.048 0.000 1.059 141 V CA 2.014 64.354 62.300 0.067 0.000 1.051 141 V CB -0.335 31.525 31.823 0.062 0.000 0.658 141 V HN 0.328 nan 8.190 nan 0.000 0.455 142 E N -1.141 119.088 120.200 0.048 0.000 2.489 142 E HA 0.225 4.600 4.350 0.042 0.000 0.204 142 E C 1.761 178.388 176.600 0.046 0.000 1.006 142 E CA 0.806 57.227 56.400 0.036 0.000 0.936 142 E CB 0.922 30.634 29.700 0.021 0.000 1.002 142 E HN 0.606 nan 8.360 nan 0.000 0.488 143 G N 1.434 110.271 108.800 0.063 0.000 2.176 143 G HA2 -0.295 3.691 3.960 0.042 0.000 0.253 143 G HA3 -0.295 3.691 3.960 0.042 0.000 0.253 143 G C 0.563 175.514 174.900 0.084 0.000 0.979 143 G CA 0.233 45.376 45.100 0.073 0.000 0.641 143 G HN 0.476 nan 8.290 nan 0.000 0.530 144 A N -0.020 122.850 122.820 0.082 0.000 2.425 144 A HA 0.637 4.982 4.320 0.042 0.000 0.249 144 A C 0.678 178.348 177.584 0.144 0.000 1.084 144 A CA 0.319 52.412 52.037 0.093 0.000 0.781 144 A CB 0.886 19.926 19.000 0.066 0.000 1.019 144 A HN 1.143 nan 8.150 nan 0.000 0.490 145 V N 3.555 123.561 119.914 0.154 0.000 2.427 145 V HA 0.231 4.376 4.120 0.042 0.000 0.268 145 V C 0.061 176.292 176.094 0.229 0.000 1.046 145 V CA 0.128 62.547 62.300 0.199 0.000 0.970 145 V CB 0.587 32.513 31.823 0.172 0.000 1.001 145 V HN 0.691 nan 8.190 nan 0.000 0.476 146 L N 6.928 128.344 121.223 0.321 0.000 2.316 146 L HA 0.596 4.961 4.340 0.042 0.000 0.280 146 L C -0.516 176.661 176.870 0.512 0.000 1.006 146 L CA -0.193 54.889 54.840 0.403 0.000 0.836 146 L CB 1.483 43.772 42.059 0.383 0.000 1.221 146 L HN 0.441 nan 8.230 nan 0.000 0.418 147 V N 3.413 123.578 119.914 0.418 0.000 2.472 147 V HA 0.679 4.824 4.120 0.042 0.000 0.290 147 V C 0.031 176.392 176.094 0.446 0.000 1.037 147 V CA -0.352 62.163 62.300 0.358 0.000 0.908 147 V CB 1.616 33.575 31.823 0.228 0.000 0.985 147 V HN 0.858 nan 8.190 nan 0.000 0.454 148 S N 5.359 121.322 115.700 0.438 0.000 2.541 148 S HA 0.858 5.353 4.470 0.042 0.000 0.280 148 S C -0.834 173.941 174.600 0.293 0.000 1.112 148 S CA -0.866 57.593 58.200 0.433 0.000 0.925 148 S CB 2.242 65.823 63.200 0.636 0.000 1.067 148 S HN 0.835 nan 8.310 nan 0.000 0.479 149 M N 1.419 121.153 119.600 0.224 0.000 2.602 149 M HA 0.649 5.155 4.480 0.042 0.000 0.312 149 M C -1.604 174.916 176.300 0.367 0.000 1.181 149 M CA -0.535 54.891 55.300 0.211 0.000 0.910 149 M CB 1.133 33.699 32.600 -0.056 0.000 1.723 149 M HN 0.558 nan 8.290 nan 0.000 0.459 150 N N 2.375 121.351 118.700 0.460 0.000 2.524 150 N HA 0.567 5.332 4.740 0.042 0.000 0.283 150 N C -1.405 174.379 175.510 0.456 0.000 1.142 150 N CA 0.087 53.417 53.050 0.467 0.000 0.984 150 N CB 0.616 39.311 38.487 0.346 0.000 1.155 150 N HN 0.729 nan 8.380 nan 0.000 0.467 151 Y N -1.957 118.525 120.300 0.304 0.000 2.524 151 Y HA 0.559 5.134 4.550 0.042 0.000 0.347 151 Y C -0.068 175.966 175.900 0.224 0.000 1.005 151 Y CA -1.328 56.896 58.100 0.207 0.000 1.025 151 Y CB 0.952 39.460 38.460 0.081 0.000 1.275 151 Y HN 0.202 nan 8.280 nan 0.000 0.460 152 R N 2.076 122.729 120.500 0.255 0.000 2.570 152 R HA 0.429 4.794 4.340 0.042 0.000 0.277 152 R C -0.156 176.296 176.300 0.254 0.000 1.039 152 R CA 0.061 56.265 56.100 0.173 0.000 1.065 152 R CB 0.667 31.024 30.300 0.095 0.000 0.964 152 R HN 0.727 nan 8.270 nan 0.000 0.428 153 V N -0.344 119.759 119.914 0.315 0.000 3.145 153 V HA 0.875 5.020 4.120 0.042 0.000 0.311 153 V C 0.777 177.175 176.094 0.506 0.000 1.238 153 V CA -0.172 62.422 62.300 0.489 0.000 1.066 153 V CB 1.062 33.111 31.823 0.377 0.000 1.144 153 V HN 0.958 nan 8.190 nan 0.000 0.465 154 G N 1.398 110.526 108.800 0.547 0.000 2.574 154 G HA2 -0.304 3.681 3.960 0.042 0.000 0.282 154 G HA3 -0.304 3.681 3.960 0.042 0.000 0.282 154 G C 1.023 176.004 174.900 0.135 0.000 1.257 154 G CA 1.704 47.036 45.100 0.387 0.000 0.956 154 G HN 2.331 nan 8.290 nan 0.000 0.560 155 T N -1.599 112.745 114.554 -0.351 0.000 2.720 155 T HA -0.076 4.300 4.350 0.042 0.000 0.268 155 T C 2.144 176.676 174.700 -0.280 0.000 1.037 155 T CA 2.537 64.204 62.100 -0.721 0.000 1.144 155 T CB -0.424 67.885 68.868 -0.932 0.000 0.864 155 T HN 0.563 nan 8.240 nan 0.000 0.444 156 F N 2.305 122.296 119.950 0.069 0.000 2.161 156 F HA 0.171 4.724 4.527 0.042 0.000 0.300 156 F C 2.792 178.574 175.800 -0.030 0.000 1.089 156 F CA 0.875 58.870 58.000 -0.008 0.000 1.282 156 F CB -1.077 37.894 39.000 -0.048 0.000 1.010 156 F HN 0.364 nan 8.300 nan 0.000 0.485 157 G N -1.804 107.047 108.800 0.086 0.000 2.545 157 G HA2 -0.020 3.966 3.960 0.042 0.000 0.212 157 G HA3 -0.020 3.966 3.960 0.042 0.000 0.212 157 G C 0.886 175.337 174.900 -0.748 0.000 1.144 157 G CA 0.276 45.166 45.100 -0.350 0.000 0.813 157 G HN 0.352 nan 8.290 nan 0.000 0.531 158 F N -0.593 119.428 119.950 0.118 0.000 2.838 158 F HA 0.433 4.986 4.527 0.043 0.000 0.329 158 F C 0.357 176.216 175.800 0.099 0.000 1.116 158 F CA -0.995 57.056 58.000 0.085 0.000 1.155 158 F CB 0.411 39.464 39.000 0.088 0.000 1.106 158 F HN -0.088 nan 8.300 nan 0.000 0.538 159 L N 2.245 123.488 121.223 0.033 0.000 2.530 159 L HA 0.559 4.925 4.340 0.042 0.000 0.273 159 L C 0.103 176.933 176.870 -0.067 0.000 1.141 159 L CA -0.016 54.753 54.840 -0.118 0.000 0.905 159 L CB 0.109 41.806 42.059 -0.604 0.000 1.202 159 L HN 0.131 nan 8.230 nan 0.000 0.473 160 A N 6.245 129.087 122.820 0.035 0.000 2.350 160 A HA 0.668 5.013 4.320 0.042 0.000 0.324 160 A C -0.786 176.775 177.584 -0.038 0.000 1.118 160 A CA -0.632 51.400 52.037 -0.008 0.000 0.783 160 A CB 1.108 20.129 19.000 0.034 0.000 1.236 160 A HN 0.746 nan 8.150 nan 0.000 0.457 161 L N 3.537 124.724 121.223 -0.060 0.000 2.426 161 L HA 0.294 4.659 4.340 0.042 0.000 0.255 161 L C -2.341 174.516 176.870 -0.020 0.000 1.080 161 L CA -1.819 52.994 54.840 -0.045 0.000 0.960 161 L CB 1.199 43.219 42.059 -0.065 0.000 1.326 161 L HN 0.426 nan 8.230 nan 0.000 0.441 162 P HA 0.023 nan 4.420 nan 0.000 0.261 162 P C 0.981 178.281 177.300 0.001 0.000 1.173 162 P CA 0.947 64.048 63.100 0.001 0.000 0.760 162 P CB 0.928 32.627 31.700 -0.000 0.000 0.783 163 G N 1.870 110.675 108.800 0.008 0.000 2.358 163 G HA2 -0.259 3.726 3.960 0.042 0.000 0.224 163 G HA3 -0.259 3.726 3.960 0.042 0.000 0.224 163 G C 0.493 175.398 174.900 0.008 0.000 1.073 163 G CA 0.250 45.355 45.100 0.008 0.000 0.635 163 G HN 0.836 nan 8.290 nan 0.000 0.509 164 S N 0.489 116.192 115.700 0.004 0.000 2.589 164 S HA 0.483 4.978 4.470 0.042 0.000 0.265 164 S C 1.249 175.858 174.600 0.015 0.000 1.342 164 S CA 0.739 58.942 58.200 0.005 0.000 1.005 164 S CB 1.641 64.838 63.200 -0.005 0.000 0.909 164 S HN 0.631 nan 8.310 nan 0.000 0.555 165 R N 0.502 121.013 120.500 0.018 0.000 2.246 165 R HA 0.025 4.390 4.340 0.042 0.000 0.199 165 R C 1.022 177.343 176.300 0.035 0.000 0.984 165 R CA 0.927 57.042 56.100 0.026 0.000 1.015 165 R CB -0.052 30.262 30.300 0.024 0.000 0.930 165 R HN 0.917 nan 8.270 nan 0.000 0.475 166 E N -0.935 119.286 120.200 0.035 0.000 2.489 166 E HA 0.120 4.496 4.350 0.042 0.000 0.204 166 E C -0.280 176.367 176.600 0.078 0.000 1.006 166 E CA 0.168 56.602 56.400 0.057 0.000 0.936 166 E CB 1.190 30.925 29.700 0.057 0.000 1.002 166 E HN 0.183 nan 8.360 nan 0.000 0.488 167 A N 2.593 125.436 122.820 0.038 0.000 3.474 167 A HA 0.329 4.674 4.320 0.042 0.000 0.251 167 A C -2.251 175.336 177.584 0.006 0.000 1.062 167 A CA -0.814 51.235 52.037 0.021 0.000 0.945 167 A CB 0.735 19.668 19.000 -0.112 0.000 1.296 167 A HN -0.071 nan 8.150 nan 0.000 0.592 168 P HA 0.170 nan 4.420 nan 0.000 0.242 168 P C 0.907 178.225 177.300 0.030 0.000 1.197 168 P CA 1.636 64.754 63.100 0.030 0.000 0.765 168 P CB 0.040 31.767 31.700 0.045 0.000 0.936 169 G N 1.189 110.005 108.800 0.026 0.000 2.758 169 G HA2 -0.213 3.772 3.960 0.042 0.000 0.686 169 G HA3 -0.213 3.772 3.960 0.042 0.000 0.686 169 G C -0.006 174.900 174.900 0.010 0.000 1.389 169 G CA -0.278 44.843 45.100 0.034 0.000 0.845 169 G HN 0.162 nan 8.290 nan 0.000 0.572 170 N N -2.462 116.249 118.700 0.018 0.000 2.800 170 N HA -0.285 4.480 4.740 0.042 0.000 0.250 170 N C 1.861 177.244 175.510 -0.213 0.000 1.078 170 N CA 2.410 55.411 53.050 -0.082 0.000 0.804 170 N CB -1.716 36.646 38.487 -0.208 0.000 1.135 170 N HN 1.887 nan 8.380 nan 0.000 0.565 171 V N -2.625 117.160 119.914 -0.215 0.000 2.490 171 V HA -0.024 4.121 4.120 0.042 0.000 0.250 171 V C 2.406 178.370 176.094 -0.215 0.000 1.061 171 V CA 2.318 64.528 62.300 -0.150 0.000 1.064 171 V CB -1.051 30.734 31.823 -0.063 0.000 0.670 171 V HN 0.270 nan 8.190 nan 0.000 0.461 172 G N 0.598 109.072 108.800 -0.542 0.000 2.469 172 G HA2 -0.206 3.779 3.960 0.042 0.000 0.220 172 G HA3 -0.206 3.779 3.960 0.042 0.000 0.220 172 G C 1.577 176.414 174.900 -0.104 0.000 1.136 172 G CA 1.403 46.269 45.100 -0.389 0.000 0.759 172 G HN 0.546 nan 8.290 nan 0.000 0.562 173 L N -0.295 120.836 121.223 -0.154 0.000 2.109 173 L HA 0.113 4.478 4.340 0.042 0.000 0.207 173 L C 2.859 179.712 176.870 -0.028 0.000 1.086 173 L CA 0.248 54.963 54.840 -0.208 0.000 0.760 173 L CB -0.294 41.339 42.059 -0.711 0.000 0.910 173 L HN 0.171 nan 8.230 nan 0.000 0.437 174 L N -0.411 120.810 121.223 -0.004 0.000 2.083 174 L HA -0.236 4.129 4.340 0.042 0.000 0.209 174 L C 2.203 179.187 176.870 0.191 0.000 1.083 174 L CA 0.989 55.941 54.840 0.187 0.000 0.752 174 L CB -0.593 41.561 42.059 0.158 0.000 0.899 174 L HN 0.294 nan 8.230 nan 0.000 0.433 175 D N -0.133 120.363 120.400 0.159 0.000 2.133 175 D HA -0.229 4.437 4.640 0.042 0.000 0.195 175 D C 2.280 178.719 176.300 0.232 0.000 0.997 175 D CA 1.300 55.464 54.000 0.274 0.000 0.840 175 D CB -0.127 40.846 40.800 0.289 0.000 0.947 175 D HN 0.421 nan 8.370 nan 0.000 0.452 176 Q N -0.054 119.820 119.800 0.124 0.000 2.046 176 Q HA -0.089 4.276 4.340 0.042 0.000 0.200 176 Q C 2.291 178.295 176.000 0.006 0.000 0.975 176 Q CA 0.842 56.651 55.803 0.010 0.000 0.836 176 Q CB -0.044 28.702 28.738 0.014 0.000 0.896 176 Q HN 0.179 nan 8.270 nan 0.000 0.428 177 R N 0.607 121.228 120.500 0.200 0.000 2.103 177 R HA -0.207 4.158 4.340 0.042 0.000 0.242 177 R C 2.166 178.524 176.300 0.097 0.000 1.142 177 R CA 1.250 57.458 56.100 0.181 0.000 0.960 177 R CB -0.259 30.244 30.300 0.337 0.000 0.858 177 R HN 0.219 nan 8.270 nan 0.000 0.439 178 L N 0.481 121.781 121.223 0.129 0.000 2.093 178 L HA -0.013 4.352 4.340 0.042 0.000 0.208 178 L C 2.209 179.102 176.870 0.038 0.000 1.085 178 L CA 2.021 56.957 54.840 0.161 0.000 0.755 178 L CB -0.583 41.661 42.059 0.308 0.000 0.904 178 L HN 0.252 nan 8.230 nan 0.000 0.435 179 A N -0.927 121.707 122.820 -0.309 0.000 1.930 179 A HA -0.130 4.215 4.320 0.042 0.000 0.217 179 A C 2.066 179.601 177.584 -0.082 0.000 1.175 179 A CA 1.641 53.367 52.037 -0.520 0.000 0.627 179 A CB -0.685 17.796 19.000 -0.865 0.000 0.815 179 A HN 0.401 nan 8.150 nan 0.000 0.443 180 L N -0.496 120.685 121.223 -0.070 0.000 2.017 180 L HA -0.192 4.174 4.340 0.042 0.000 0.208 180 L C 2.623 179.537 176.870 0.072 0.000 1.073 180 L CA 2.107 56.945 54.840 -0.004 0.000 0.745 180 L CB -1.245 40.775 42.059 -0.066 0.000 0.894 180 L HN 0.446 nan 8.230 nan 0.000 0.432 181 Q N -1.945 117.910 119.800 0.092 0.000 2.061 181 Q HA -0.280 4.086 4.340 0.042 0.000 0.204 181 Q C 2.145 178.225 176.000 0.133 0.000 0.984 181 Q CA 2.224 58.089 55.803 0.104 0.000 0.846 181 Q CB -0.447 28.364 28.738 0.121 0.000 0.902 181 Q HN 0.544 nan 8.270 nan 0.000 0.421 182 W N -0.214 121.097 121.300 0.018 0.000 2.321 182 W HA -0.267 4.418 4.660 0.042 0.000 0.306 182 W C 1.808 178.353 176.519 0.042 0.000 1.217 182 W CA 1.584 58.958 57.345 0.048 0.000 1.257 182 W CB -0.248 29.239 29.460 0.044 0.000 1.145 182 W HN -0.063 nan 8.180 nan 0.000 0.509 183 V N 0.541 120.614 119.914 0.265 0.000 2.307 183 V HA -0.344 3.801 4.120 0.042 0.000 0.245 183 V C 2.561 178.643 176.094 -0.021 0.000 1.045 183 V CA 2.081 64.457 62.300 0.127 0.000 1.024 183 V CB -1.097 30.835 31.823 0.183 0.000 0.651 183 V HN 0.149 nan 8.190 nan 0.000 0.449 184 Q N 0.160 119.965 119.800 0.008 0.000 2.096 184 Q HA -0.276 4.089 4.340 0.042 0.000 0.208 184 Q C 2.176 178.134 176.000 -0.070 0.000 0.993 184 Q CA 2.124 57.921 55.803 -0.010 0.000 0.862 184 Q CB -0.426 28.315 28.738 0.005 0.000 0.915 184 Q HN 0.734 nan 8.270 nan 0.000 0.416 185 E N -0.666 119.452 120.200 -0.137 0.000 2.216 185 E HA -0.023 4.352 4.350 0.042 0.000 0.192 185 E C 1.237 177.670 176.600 -0.279 0.000 0.988 185 E CA 0.429 56.718 56.400 -0.186 0.000 0.834 185 E CB 0.225 29.808 29.700 -0.194 0.000 0.772 185 E HN 0.320 nan 8.360 nan 0.000 0.479 186 N N -0.209 118.233 118.700 -0.430 0.000 2.297 186 N HA 0.031 4.796 4.740 0.042 0.000 0.208 186 N C 1.442 176.852 175.510 -0.166 0.000 1.176 186 N CA 0.043 52.802 53.050 -0.484 0.000 0.882 186 N CB 0.493 38.267 38.487 -1.189 0.000 1.134 186 N HN 0.033 nan 8.380 nan 0.000 0.489 187 I N 2.415 122.927 120.570 -0.096 0.000 2.394 187 I HA -0.097 4.099 4.170 0.042 0.000 0.251 187 I C 2.179 178.395 176.117 0.165 0.000 1.136 187 I CA 0.585 61.950 61.300 0.109 0.000 1.425 187 I CB -0.328 37.713 38.000 0.069 0.000 1.079 187 I HN 0.060 nan 8.210 nan 0.000 0.425 188 A N 0.552 123.403 122.820 0.052 0.000 1.903 188 A HA -0.286 4.059 4.320 0.042 0.000 0.219 188 A C 2.550 180.136 177.584 0.004 0.000 1.191 188 A CA 2.256 54.308 52.037 0.025 0.000 0.638 188 A CB -1.423 17.567 19.000 -0.016 0.000 0.823 188 A HN 0.502 nan 8.150 nan 0.000 0.451 189 A N -1.571 121.216 122.820 -0.055 0.000 1.997 189 A HA -0.124 4.221 4.320 0.042 0.000 0.221 189 A C 1.767 179.169 177.584 -0.303 0.000 1.172 189 A CA 1.841 53.752 52.037 -0.211 0.000 0.645 189 A CB -0.758 18.034 19.000 -0.346 0.000 0.813 189 A HN 0.562 nan 8.150 nan 0.000 0.454 190 F N -1.595 118.291 119.950 -0.107 0.000 2.749 190 F HA 0.378 4.930 4.527 0.042 0.000 0.300 190 F C 1.834 177.622 175.800 -0.020 0.000 1.103 190 F CA 0.606 58.547 58.000 -0.099 0.000 1.342 190 F CB 0.208 39.150 39.000 -0.096 0.000 1.098 190 F HN 0.366 nan 8.300 nan 0.000 0.586 191 G N 0.254 109.137 108.800 0.137 0.000 2.141 191 G HA2 -0.172 3.813 3.960 0.042 0.000 0.231 191 G HA3 -0.172 3.813 3.960 0.042 0.000 0.231 191 G C 0.644 175.608 174.900 0.107 0.000 0.984 191 G CA -0.283 44.873 45.100 0.095 0.000 0.660 191 G HN 0.710 nan 8.290 nan 0.000 0.525 192 G N -0.600 108.281 108.800 0.135 0.000 2.539 192 G HA2 0.459 4.445 3.960 0.042 0.000 0.258 192 G HA3 0.459 4.445 3.960 0.042 0.000 0.258 192 G C -0.638 174.309 174.900 0.079 0.000 1.202 192 G CA 0.199 45.367 45.100 0.112 0.000 0.851 192 G HN 0.185 nan 8.290 nan 0.000 0.556 193 D N 1.032 121.474 120.400 0.070 0.000 2.396 193 D HA 0.308 4.974 4.640 0.042 0.000 0.225 193 D C -1.434 174.913 176.300 0.077 0.000 1.121 193 D CA -2.171 51.859 54.000 0.051 0.000 0.853 193 D CB 1.881 42.697 40.800 0.027 0.000 1.043 193 D HN -0.047 nan 8.370 nan 0.000 0.500 194 P HA -0.011 nan 4.420 nan 0.000 0.225 194 P C 1.144 178.559 177.300 0.192 0.000 1.148 194 P CA 0.824 63.985 63.100 0.102 0.000 0.779 194 P CB 0.156 31.889 31.700 0.055 0.000 0.780 195 M N -1.803 117.864 119.600 0.113 0.000 2.494 195 M HA 0.100 4.606 4.480 0.042 0.000 0.232 195 M C 0.480 176.567 176.300 -0.354 0.000 1.137 195 M CA 0.427 55.735 55.300 0.012 0.000 1.012 195 M CB 0.220 32.775 32.600 -0.075 0.000 1.567 195 M HN -0.213 nan 8.290 nan 0.000 0.486 196 S N 0.786 116.464 115.700 -0.036 0.000 2.317 196 S HA 0.372 4.867 4.470 0.042 0.000 0.144 196 S C -0.960 173.773 174.600 0.222 0.000 1.660 196 S CA -0.559 57.621 58.200 -0.034 0.000 1.273 196 S CB 0.332 63.482 63.200 -0.083 0.000 1.330 196 S HN -0.009 nan 8.310 nan 0.000 0.395 197 V N 3.441 123.652 119.914 0.494 0.000 2.398 197 V HA 0.553 4.698 4.120 0.042 0.000 0.286 197 V C 0.204 176.476 176.094 0.296 0.000 1.026 197 V CA -0.359 62.120 62.300 0.299 0.000 0.868 197 V CB 1.738 33.689 31.823 0.214 0.000 0.982 197 V HN 0.704 nan 8.190 nan 0.000 0.443 198 T N 6.470 121.160 114.554 0.227 0.000 2.779 198 T HA 0.571 4.946 4.350 0.042 0.000 0.280 198 T C -0.244 174.604 174.700 0.248 0.000 0.987 198 T CA -0.368 61.874 62.100 0.236 0.000 0.966 198 T CB 0.909 69.880 68.868 0.171 0.000 0.933 198 T HN 0.343 nan 8.240 nan 0.000 0.442 199 L N 4.967 126.303 121.223 0.189 0.000 2.326 199 L HA 0.637 5.003 4.340 0.042 0.000 0.278 199 L C -0.432 176.632 176.870 0.324 0.000 1.092 199 L CA -0.721 54.181 54.840 0.104 0.000 0.810 199 L CB 0.261 42.143 42.059 -0.294 0.000 1.153 199 L HN 0.635 nan 8.230 nan 0.000 0.439 200 F N 0.779 120.777 119.950 0.080 0.000 2.601 200 F HA 0.950 5.502 4.527 0.042 0.000 0.309 200 F C -0.330 175.430 175.800 -0.068 0.000 1.089 200 F CA -1.475 56.610 58.000 0.141 0.000 0.940 200 F CB 1.611 40.840 39.000 0.383 0.000 1.273 200 F HN 0.442 nan 8.300 nan 0.000 0.450 201 G N 1.428 110.030 108.800 -0.330 0.000 2.673 201 G HA2 0.499 4.484 3.960 0.042 0.000 0.292 201 G HA3 0.499 4.484 3.960 0.042 0.000 0.292 201 G C -2.451 172.157 174.900 -0.486 0.000 1.450 201 G CA -0.733 43.784 45.100 -0.972 0.000 0.837 201 G HN 0.900 nan 8.290 nan 0.000 0.505 205 G N 0.599 109.161 108.800 -0.396 0.000 2.422 205 G HA2 0.126 4.112 3.960 0.042 0.000 0.218 205 G HA3 0.126 4.112 3.960 0.042 0.000 0.218 205 G C 1.656 176.356 174.900 -0.333 0.000 1.146 205 G CA 1.799 46.628 45.100 -0.452 0.000 0.769 205 G HN 1.220 nan 8.290 nan 0.000 0.547 206 A N 1.347 124.043 122.820 -0.205 0.000 1.877 206 A HA 0.236 4.581 4.320 0.042 0.000 0.216 206 A C 2.843 180.402 177.584 -0.042 0.000 1.186 206 A CA 2.354 54.342 52.037 -0.081 0.000 0.620 206 A CB -0.928 18.085 19.000 0.021 0.000 0.822 206 A HN 0.836 nan 8.150 nan 0.000 0.443 207 A N -0.391 122.438 122.820 0.014 0.000 1.940 207 A HA -0.093 4.252 4.320 0.042 0.000 0.219 207 A C 2.422 180.020 177.584 0.022 0.000 1.176 207 A CA 2.181 54.233 52.037 0.025 0.000 0.631 207 A CB -0.831 18.234 19.000 0.109 0.000 0.814 207 A HN 0.490 nan 8.150 nan 0.000 0.446 208 S N -0.295 115.399 115.700 -0.010 0.000 2.356 208 S HA -0.137 4.358 4.470 0.042 0.000 0.223 208 S C 1.897 176.480 174.600 -0.028 0.000 1.032 208 S CA 1.364 59.532 58.200 -0.053 0.000 1.005 208 S CB -0.695 62.410 63.200 -0.158 0.000 0.867 208 S HN 0.358 nan 8.310 nan 0.000 0.449 209 V N 2.098 121.983 119.914 -0.048 0.000 2.278 209 V HA -0.255 3.890 4.120 0.042 0.000 0.251 209 V C 2.669 178.757 176.094 -0.009 0.000 1.062 209 V CA 2.129 64.400 62.300 -0.049 0.000 1.038 209 V CB -1.672 30.095 31.823 -0.093 0.000 0.646 209 V HN 0.614 nan 8.190 nan 0.000 0.447 210 G N -0.553 108.234 108.800 -0.022 0.000 2.442 210 G HA2 -0.254 3.731 3.960 0.042 0.000 0.219 210 G HA3 -0.254 3.731 3.960 0.042 0.000 0.219 210 G C 1.510 176.421 174.900 0.019 0.000 1.141 210 G CA 1.203 46.293 45.100 -0.017 0.000 0.763 210 G HN 0.474 nan 8.290 nan 0.000 0.554 211 M N -0.097 119.500 119.600 -0.005 0.000 2.229 211 M HA 0.004 4.509 4.480 0.042 0.000 0.264 211 M C 2.237 178.599 176.300 0.104 0.000 1.063 211 M CA 0.895 56.219 55.300 0.040 0.000 1.114 211 M CB -0.751 31.838 32.600 -0.018 0.000 1.387 211 M HN 0.210 nan 8.290 nan 0.000 0.420 212 H N 0.612 119.778 119.070 0.161 0.000 2.389 212 H HA 0.031 4.613 4.556 0.042 0.000 0.299 212 H C 2.186 177.694 175.328 0.300 0.000 1.081 212 H CA 1.351 57.503 56.048 0.173 0.000 1.345 212 H CB -0.241 29.483 29.762 -0.063 0.000 1.393 212 H HN 0.406 nan 8.280 nan 0.000 0.520 213 I N 0.757 121.559 120.570 0.387 0.000 2.361 213 I HA -0.230 3.965 4.170 0.042 0.000 0.251 213 I C 1.630 177.911 176.117 0.274 0.000 1.133 213 I CA 1.026 62.558 61.300 0.386 0.000 1.413 213 I CB -0.044 38.081 38.000 0.209 0.000 1.073 213 I HN 0.098 nan 8.210 nan 0.000 0.424 214 L N -0.913 120.427 121.223 0.195 0.000 2.628 214 L HA 0.152 4.518 4.340 0.042 0.000 0.229 214 L C 0.674 177.587 176.870 0.072 0.000 1.137 214 L CA 0.031 54.967 54.840 0.161 0.000 0.909 214 L CB 0.000 42.136 42.059 0.128 0.000 1.137 214 L HN -0.020 nan 8.230 nan 0.000 0.470 215 S N -0.414 115.299 115.700 0.022 0.000 2.659 215 S HA 0.331 4.827 4.470 0.042 0.000 0.312 215 S C 0.622 175.150 174.600 -0.121 0.000 1.114 215 S CA -0.587 57.507 58.200 -0.177 0.000 1.063 215 S CB 1.560 64.383 63.200 -0.628 0.000 0.996 215 S HN 0.117 nan 8.310 nan 0.000 0.478 216 L N 6.633 127.790 121.223 -0.110 0.000 2.012 216 L HA 0.047 4.412 4.340 0.042 0.000 0.210 216 L C -0.956 175.872 176.870 -0.069 0.000 1.073 216 L CA 2.073 56.872 54.840 -0.069 0.000 0.748 216 L CB -0.871 41.149 42.059 -0.065 0.000 0.891 216 L HN 0.510 nan 8.230 nan 0.000 0.431 217 P HA -0.099 nan 4.420 nan 0.000 0.221 217 P C 1.555 178.849 177.300 -0.010 0.000 1.145 217 P CA 1.230 64.291 63.100 -0.064 0.000 0.795 217 P CB 0.066 31.714 31.700 -0.086 0.000 0.775 218 S N -0.952 114.764 115.700 0.027 0.000 2.425 218 S HA -0.000 4.495 4.470 0.042 0.000 0.225 218 S C 1.795 176.525 174.600 0.217 0.000 1.024 218 S CA 0.510 58.833 58.200 0.205 0.000 0.951 218 S CB -0.360 63.102 63.200 0.438 0.000 0.796 218 S HN 0.129 nan 8.310 nan 0.000 0.498 219 R N 1.983 122.512 120.500 0.048 0.000 2.200 219 R HA -0.018 4.347 4.340 0.042 0.000 0.234 219 R C 2.038 178.134 176.300 -0.340 0.000 1.127 219 R CA 1.291 57.245 56.100 -0.243 0.000 0.989 219 R CB -1.007 29.204 30.300 -0.148 0.000 0.869 219 R HN 0.545 nan 8.270 nan 0.000 0.459 220 S N -0.014 115.590 115.700 -0.161 0.000 2.603 220 S HA 0.113 4.609 4.470 0.042 0.000 0.220 220 S C 1.616 176.131 174.600 -0.143 0.000 0.967 220 S CA 0.165 58.278 58.200 -0.145 0.000 0.920 220 S CB -0.091 63.069 63.200 -0.068 0.000 0.773 220 S HN 0.218 nan 8.310 nan 0.000 0.529 221 L N 0.263 121.423 121.223 -0.105 0.000 2.766 221 L HA 0.503 4.869 4.340 0.042 0.000 0.242 221 L C -0.158 176.750 176.870 0.063 0.000 1.136 221 L CA -0.346 54.504 54.840 0.016 0.000 0.933 221 L CB 0.121 42.245 42.059 0.108 0.000 1.241 221 L HN 0.486 nan 8.230 nan 0.000 0.522 222 F N -3.910 115.841 119.950 -0.331 0.000 2.741 222 F HA 0.447 4.999 4.527 0.042 0.000 0.313 222 F C 0.262 175.713 175.800 -0.583 0.000 1.153 222 F CA -1.025 56.732 58.000 -0.404 0.000 0.931 222 F CB 0.771 39.685 39.000 -0.143 0.000 1.335 222 F HN -0.107 nan 8.300 nan 0.000 0.460 223 H N -0.517 118.587 119.070 0.056 0.000 3.170 223 H HA 0.484 5.065 4.556 0.042 0.000 0.264 223 H C -0.233 175.118 175.328 0.038 0.000 1.113 223 H CA -0.133 55.877 56.048 -0.064 0.000 1.194 223 H CB 1.032 30.764 29.762 -0.049 0.000 1.553 223 H HN 0.469 nan 8.280 nan 0.000 0.538 224 R N 0.275 120.977 120.500 0.337 0.000 2.663 224 R HA 0.659 5.024 4.340 0.042 0.000 0.267 224 R C -1.595 174.979 176.300 0.455 0.000 1.038 224 R CA -0.565 55.717 56.100 0.302 0.000 0.886 224 R CB 2.749 33.072 30.300 0.039 0.000 1.249 224 R HN 0.164 nan 8.270 nan 0.000 0.463 225 A N 1.398 124.487 122.820 0.448 0.000 2.498 225 A HA 0.768 5.113 4.320 0.042 0.000 0.298 225 A C -1.423 176.302 177.584 0.235 0.000 1.075 225 A CA -0.620 51.601 52.037 0.307 0.000 0.714 225 A CB 1.990 21.122 19.000 0.219 0.000 1.299 225 A HN 0.284 nan 8.150 nan 0.000 0.407 226 V N 1.626 121.638 119.914 0.164 0.000 2.525 226 V HA 0.476 4.621 4.120 0.042 0.000 0.299 226 V C -1.196 174.979 176.094 0.134 0.000 1.034 226 V CA -0.259 62.084 62.300 0.071 0.000 0.863 226 V CB 1.226 33.141 31.823 0.153 0.000 0.999 226 V HN 0.672 nan 8.190 nan 0.000 0.423 227 L N 5.140 126.411 121.223 0.080 0.000 2.324 227 L HA 0.509 4.874 4.340 0.042 0.000 0.274 227 L C 0.086 177.042 176.870 0.143 0.000 1.012 227 L CA 0.077 54.960 54.840 0.072 0.000 0.859 227 L CB 1.441 43.500 42.059 0.001 0.000 1.224 227 L HN 0.642 nan 8.230 nan 0.000 0.429 228 Q N 2.103 122.045 119.800 0.237 0.000 2.360 228 Q HA 0.425 4.791 4.340 0.042 0.000 0.254 228 Q C 0.220 176.355 176.000 0.224 0.000 0.975 228 Q CA -0.504 55.508 55.803 0.347 0.000 0.912 228 Q CB 1.182 30.220 28.738 0.499 0.000 1.212 228 Q HN 0.604 nan 8.270 nan 0.000 0.452 229 S N 0.964 116.773 115.700 0.181 0.000 3.682 229 S HA -0.157 4.338 4.470 0.042 0.000 0.354 229 S C 0.068 174.801 174.600 0.223 0.000 1.034 229 S CA 0.533 58.850 58.200 0.195 0.000 1.084 229 S CB -1.231 62.132 63.200 0.273 0.000 0.903 229 S HN 1.028 nan 8.310 nan 0.000 0.470 230 G N -0.708 108.203 108.800 0.184 0.000 2.466 230 G HA2 0.685 4.670 3.960 0.042 0.000 0.291 230 G HA3 0.685 4.670 3.960 0.042 0.000 0.291 230 G C -0.944 174.028 174.900 0.121 0.000 1.460 230 G CA 0.301 45.577 45.100 0.293 0.000 0.791 230 G HN 1.126 nan 8.290 nan 0.000 0.505 231 T N -2.259 112.319 114.554 0.041 0.000 2.840 231 T HA 0.716 5.092 4.350 0.042 0.000 0.317 231 T C -2.601 171.966 174.700 -0.222 0.000 1.401 231 T CA -1.154 60.884 62.100 -0.103 0.000 1.028 231 T CB 2.604 71.388 68.868 -0.140 0.000 1.317 231 T HN 0.254 nan 8.240 nan 0.000 0.495 232 P HA 0.035 nan 4.420 nan 0.000 0.220 232 P C 0.483 177.615 177.300 -0.280 0.000 1.152 232 P CA 0.618 63.595 63.100 -0.206 0.000 0.812 232 P CB -0.111 31.521 31.700 -0.113 0.000 0.792 233 N N 0.577 119.133 118.700 -0.241 0.000 2.294 233 N HA 0.263 5.029 4.740 0.042 0.000 0.248 233 N C 0.844 176.133 175.510 -0.369 0.000 1.300 233 N CA 0.725 53.630 53.050 -0.241 0.000 0.925 233 N CB -0.356 38.034 38.487 -0.162 0.000 1.188 233 N HN 0.228 nan 8.380 nan 0.000 0.512 234 G N -1.077 107.528 108.800 -0.324 0.000 2.655 234 G HA2 -0.141 3.844 3.960 0.042 0.000 0.680 234 G HA3 -0.141 3.844 3.960 0.042 0.000 0.680 234 G C -1.946 172.695 174.900 -0.432 0.000 1.302 234 G CA -0.195 44.665 45.100 -0.400 0.000 0.872 234 G HN 0.532 nan 8.290 nan 0.000 0.540 235 P HA 0.016 nan 4.420 nan 0.000 0.221 235 P C 1.514 178.746 177.300 -0.114 0.000 1.150 235 P CA 2.454 65.417 63.100 -0.229 0.000 0.800 235 P CB -0.069 31.448 31.700 -0.304 0.000 0.787 236 W N -1.594 119.637 121.300 -0.115 0.000 2.865 236 W HA 0.568 5.253 4.660 0.042 0.000 0.300 236 W C 1.360 177.947 176.519 0.113 0.000 1.096 236 W CA 0.424 57.776 57.345 0.012 0.000 1.524 236 W CB -0.849 28.679 29.460 0.114 0.000 0.991 236 W HN -0.164 nan 8.180 nan 0.000 0.571 237 A N 1.959 124.429 122.820 -0.584 0.000 1.968 237 A HA 0.050 4.395 4.320 0.042 0.000 0.217 237 A C 1.293 178.735 177.584 -0.237 0.000 1.169 237 A CA 2.019 53.794 52.037 -0.438 0.000 0.638 237 A CB -0.928 17.566 19.000 -0.843 0.000 0.812 237 A HN 0.242 nan 8.150 nan 0.000 0.446 238 T N -2.903 111.508 114.554 -0.238 0.000 2.906 238 T HA 0.623 4.998 4.350 0.042 0.000 0.295 238 T C -0.487 174.128 174.700 -0.141 0.000 1.075 238 T CA -0.129 61.845 62.100 -0.210 0.000 1.005 238 T CB 1.497 70.251 68.868 -0.190 0.000 1.136 238 T HN 0.857 nan 8.240 nan 0.000 0.498 239 V N -0.737 119.101 119.914 -0.127 0.000 3.113 239 V HA 0.923 5.068 4.120 0.042 0.000 0.316 239 V C 0.241 176.289 176.094 -0.077 0.000 1.125 239 V CA -0.939 61.305 62.300 -0.093 0.000 1.026 239 V CB 1.335 33.103 31.823 -0.092 0.000 1.080 239 V HN 1.309 nan 8.190 nan 0.000 0.444 240 S N 0.903 116.566 115.700 -0.061 0.000 2.652 240 S HA 0.689 5.184 4.470 0.042 0.000 0.270 240 S C 1.338 175.916 174.600 -0.037 0.000 1.243 240 S CA -0.017 58.155 58.200 -0.046 0.000 0.999 240 S CB 1.274 64.450 63.200 -0.040 0.000 0.973 240 S HN 1.840 nan 8.310 nan 0.000 0.544 241 A N 2.160 124.964 122.820 -0.026 0.000 1.869 241 A HA 0.004 4.349 4.320 0.042 0.000 0.218 241 A C 2.270 179.842 177.584 -0.021 0.000 1.203 241 A CA 2.240 54.266 52.037 -0.018 0.000 0.638 241 A CB -2.053 16.941 19.000 -0.011 0.000 0.831 241 A HN 1.250 nan 8.150 nan 0.000 0.450 242 G N -0.510 108.277 108.800 -0.023 0.000 2.529 242 G HA2 -0.349 3.636 3.960 0.042 0.000 0.219 242 G HA3 -0.349 3.636 3.960 0.042 0.000 0.219 242 G C 1.474 176.356 174.900 -0.030 0.000 1.177 242 G CA 1.673 46.759 45.100 -0.024 0.000 0.773 242 G HN 0.644 nan 8.290 nan 0.000 0.573 243 E N 0.906 121.083 120.200 -0.038 0.000 2.208 243 E HA 0.151 4.526 4.350 0.042 0.000 0.193 243 E C 2.564 179.127 176.600 -0.061 0.000 0.988 243 E CA 1.370 57.739 56.400 -0.050 0.000 0.828 243 E CB -0.494 29.172 29.700 -0.057 0.000 0.763 243 E HN 0.320 nan 8.360 nan 0.000 0.478 244 A N 0.975 123.766 122.820 -0.048 0.000 1.873 244 A HA -0.138 4.208 4.320 0.042 0.000 0.215 244 A C 2.302 179.882 177.584 -0.007 0.000 1.186 244 A CA 1.586 53.605 52.037 -0.032 0.000 0.616 244 A CB -0.617 18.381 19.000 -0.004 0.000 0.823 244 A HN 0.283 nan 8.150 nan 0.000 0.442 245 R N -0.534 119.959 120.500 -0.013 0.000 2.105 245 R HA -0.144 4.221 4.340 0.042 0.000 0.239 245 R C 2.418 178.710 176.300 -0.013 0.000 1.135 245 R CA 1.625 57.717 56.100 -0.012 0.000 0.967 245 R CB -0.296 29.995 30.300 -0.016 0.000 0.861 245 R HN 0.504 nan 8.270 nan 0.000 0.442 246 R N 0.342 120.828 120.500 -0.023 0.000 2.075 246 R HA -0.102 4.264 4.340 0.042 0.000 0.232 246 R C 2.133 178.419 176.300 -0.024 0.000 1.126 246 R CA 1.596 57.681 56.100 -0.025 0.000 0.963 246 R CB -0.003 30.276 30.300 -0.034 0.000 0.858 246 R HN 0.288 nan 8.270 nan 0.000 0.435 247 R N -0.412 120.064 120.500 -0.040 0.000 2.075 247 R HA 0.041 4.407 4.340 0.042 0.000 0.226 247 R C 2.366 178.718 176.300 0.087 0.000 1.114 247 R CA 1.018 57.086 56.100 -0.055 0.000 0.972 247 R CB -0.282 29.861 30.300 -0.262 0.000 0.869 247 R HN 0.170 nan 8.270 nan 0.000 0.437 248 A N 1.323 124.222 122.820 0.132 0.000 1.865 248 A HA -0.223 4.122 4.320 0.042 0.000 0.217 248 A C 2.367 179.965 177.584 0.023 0.000 1.191 248 A CA 2.345 54.454 52.037 0.119 0.000 0.623 248 A CB -1.254 17.758 19.000 0.019 0.000 0.826 248 A HN 0.513 nan 8.150 nan 0.000 0.444 249 T N -1.781 112.773 114.554 0.001 0.000 2.720 249 T HA -0.171 4.204 4.350 0.042 0.000 0.268 249 T C 1.753 176.451 174.700 -0.003 0.000 1.037 249 T CA 1.636 63.728 62.100 -0.013 0.000 1.144 249 T CB -0.526 68.332 68.868 -0.016 0.000 0.864 249 T HN 0.282 nan 8.240 nan 0.000 0.444 250 L N 0.560 121.788 121.223 0.010 0.000 2.141 250 L HA 0.284 4.649 4.340 0.042 0.000 0.209 250 L C 2.298 179.184 176.870 0.026 0.000 1.094 250 L CA 1.356 56.202 54.840 0.011 0.000 0.763 250 L CB -1.002 41.062 42.059 0.009 0.000 0.908 250 L HN 0.384 nan 8.230 nan 0.000 0.437 251 L N -0.486 120.778 121.223 0.068 0.000 2.056 251 L HA -0.016 4.349 4.340 0.042 0.000 0.207 251 L C 2.510 179.395 176.870 0.024 0.000 1.078 251 L CA 1.726 56.619 54.840 0.088 0.000 0.749 251 L CB -0.704 41.458 42.059 0.171 0.000 0.901 251 L HN 0.250 nan 8.230 nan 0.000 0.433 252 A N 0.036 122.854 122.820 -0.004 0.000 1.859 252 A HA -0.303 4.042 4.320 0.042 0.000 0.217 252 A C 2.541 180.117 177.584 -0.014 0.000 1.198 252 A CA 2.139 54.165 52.037 -0.018 0.000 0.629 252 A CB -0.870 18.109 19.000 -0.035 0.000 0.830 252 A HN 0.518 nan 8.150 nan 0.000 0.446 253 R N -0.468 120.021 120.500 -0.018 0.000 2.091 253 R HA -0.114 4.251 4.340 0.042 0.000 0.238 253 R C 2.046 178.317 176.300 -0.049 0.000 1.136 253 R CA 1.760 57.844 56.100 -0.025 0.000 0.959 253 R CB -0.515 29.771 30.300 -0.023 0.000 0.856 253 R HN 0.540 nan 8.270 nan 0.000 0.437 254 L N 0.841 122.016 121.223 -0.080 0.000 2.261 254 L HA -0.129 4.236 4.340 0.042 0.000 0.216 254 L C 1.770 178.521 176.870 -0.198 0.000 1.114 254 L CA 0.915 55.630 54.840 -0.209 0.000 0.777 254 L CB 0.140 42.011 42.059 -0.313 0.000 0.910 254 L HN 0.196 nan 8.230 nan 0.000 0.440 255 V N -4.969 114.920 119.914 -0.042 0.000 3.427 255 V HA 0.548 4.693 4.120 0.042 0.000 0.305 255 V C 1.011 177.131 176.094 0.042 0.000 1.412 255 V CA 0.184 62.516 62.300 0.053 0.000 1.086 255 V CB 0.082 31.978 31.823 0.121 0.000 0.964 255 V HN 0.324 nan 8.190 nan 0.000 0.439 256 G N -0.316 108.492 108.800 0.014 0.000 2.141 256 G HA2 -0.180 3.805 3.960 0.042 0.000 0.195 256 G HA3 -0.180 3.805 3.960 0.042 0.000 0.195 256 G C -0.077 174.831 174.900 0.014 0.000 1.012 256 G CA -0.096 45.014 45.100 0.016 0.000 0.696 256 G HN 0.710 nan 8.290 nan 0.000 0.508 266 D N 1.704 122.098 120.400 -0.010 0.000 2.106 266 D HA -0.130 4.535 4.640 0.042 0.000 0.191 266 D C 1.450 177.743 176.300 -0.012 0.000 0.997 266 D CA 2.061 56.051 54.000 -0.016 0.000 0.834 266 D CB -0.153 40.638 40.800 -0.015 0.000 0.956 266 D HN 0.625 nan 8.370 nan 0.000 0.448 267 T N 0.884 115.437 114.554 -0.001 0.000 2.653 267 T HA -0.202 4.173 4.350 0.042 0.000 0.268 267 T C 1.844 176.550 174.700 0.010 0.000 1.035 267 T CA 1.541 63.646 62.100 0.008 0.000 1.154 267 T CB -0.252 68.622 68.868 0.011 0.000 0.862 267 T HN 0.293 nan 8.240 nan 0.000 0.441 268 E N 0.028 120.232 120.200 0.006 0.000 2.107 268 E HA 0.029 4.404 4.350 0.042 0.000 0.191 268 E C 2.188 178.791 176.600 0.006 0.000 0.982 268 E CA 0.388 56.793 56.400 0.008 0.000 0.809 268 E CB -0.167 29.537 29.700 0.006 0.000 0.756 268 E HN 0.321 nan 8.360 nan 0.000 0.459 269 L N 0.783 122.002 121.223 -0.006 0.000 2.017 269 L HA -0.202 4.163 4.340 0.042 0.000 0.208 269 L C 2.112 178.970 176.870 -0.020 0.000 1.073 269 L CA 1.316 56.145 54.840 -0.017 0.000 0.745 269 L CB -0.066 41.974 42.059 -0.033 0.000 0.894 269 L HN 0.127 nan 8.230 nan 0.000 0.432 270 I N -0.783 119.775 120.570 -0.020 0.000 2.202 270 I HA -0.261 3.935 4.170 0.042 0.000 0.242 270 I C 2.679 178.844 176.117 0.080 0.000 1.091 270 I CA 1.030 62.332 61.300 0.003 0.000 1.368 270 I CB -0.590 37.413 38.000 0.005 0.000 1.058 270 I HN 0.314 nan 8.210 nan 0.000 0.410 271 A N -0.053 122.802 122.820 0.058 0.000 1.884 271 A HA -0.371 3.974 4.320 0.042 0.000 0.219 271 A C 2.551 180.172 177.584 0.062 0.000 1.197 271 A CA 2.378 54.451 52.037 0.060 0.000 0.637 271 A CB -1.606 17.417 19.000 0.038 0.000 0.827 271 A HN 0.638 nan 8.150 nan 0.000 0.450 272 c N -0.726 117.902 118.600 0.046 0.000 2.429 272 c HA -0.039 4.557 4.570 0.042 0.000 0.277 272 c C 2.640 176.768 174.090 0.064 0.000 1.262 272 c CA 1.178 57.533 56.329 0.043 0.000 1.733 272 c CB -1.649 40.877 42.510 0.027 0.000 2.010 272 c HN 0.589 nan 8.230 nan 0.000 0.483 273 L N 0.324 121.596 121.223 0.083 0.000 2.083 273 L HA -0.103 4.263 4.340 0.042 0.000 0.209 273 L C 2.970 179.971 176.870 0.218 0.000 1.083 273 L CA 1.434 56.357 54.840 0.139 0.000 0.752 273 L CB -0.616 41.506 42.059 0.105 0.000 0.899 273 L HN 0.346 nan 8.230 nan 0.000 0.433 274 R N -0.536 120.089 120.500 0.208 0.000 2.189 274 R HA -0.110 4.255 4.340 0.042 0.000 0.223 274 R C 2.068 178.400 176.300 0.053 0.000 1.092 274 R CA 1.669 57.837 56.100 0.113 0.000 0.989 274 R CB -0.501 29.851 30.300 0.086 0.000 0.876 274 R HN 0.490 nan 8.270 nan 0.000 0.457 275 T N -1.550 113.039 114.554 0.058 0.000 3.129 275 T HA 0.107 4.482 4.350 0.042 0.000 0.251 275 T C 0.801 175.522 174.700 0.035 0.000 1.117 275 T CA -0.077 62.045 62.100 0.037 0.000 1.034 275 T CB 0.166 69.056 68.868 0.036 0.000 0.968 275 T HN -0.118 nan 8.240 nan 0.000 0.526 276 R N 2.357 122.886 120.500 0.049 0.000 2.312 276 R HA 0.435 4.800 4.340 0.042 0.000 0.311 276 R C -2.791 173.527 176.300 0.030 0.000 1.004 276 R CA -2.613 53.515 56.100 0.047 0.000 0.902 276 R CB 0.439 30.778 30.300 0.066 0.000 1.073 276 R HN 0.202 nan 8.270 nan 0.000 0.457 277 P HA -0.112 nan 4.420 nan 0.000 0.264 277 P C 0.448 177.728 177.300 -0.034 0.000 1.173 277 P CA 0.410 63.497 63.100 -0.021 0.000 0.761 277 P CB 0.537 32.233 31.700 -0.007 0.000 0.794 278 A N 3.322 126.049 122.820 -0.155 0.000 1.869 278 A HA -0.307 4.038 4.320 0.042 0.000 0.218 278 A C 2.143 179.659 177.584 -0.114 0.000 1.203 278 A CA 2.207 54.115 52.037 -0.214 0.000 0.638 278 A CB -1.469 16.860 19.000 -1.118 0.000 0.831 278 A HN 0.543 nan 8.150 nan 0.000 0.450 279 Q N -0.169 119.512 119.800 -0.198 0.000 2.297 279 Q HA -0.177 4.188 4.340 0.042 0.000 0.208 279 Q C 1.308 177.370 176.000 0.103 0.000 0.981 279 Q CA 1.968 57.818 55.803 0.078 0.000 0.876 279 Q CB -0.475 28.357 28.738 0.157 0.000 0.921 279 Q HN 0.677 nan 8.270 nan 0.000 0.446 280 D N -0.852 119.587 120.400 0.066 0.000 2.087 280 D HA -0.161 4.504 4.640 0.042 0.000 0.192 280 D C 1.534 177.895 176.300 0.101 0.000 0.993 280 D CA 1.018 55.067 54.000 0.082 0.000 0.828 280 D CB -0.191 40.657 40.800 0.081 0.000 0.968 280 D HN 0.209 nan 8.370 nan 0.000 0.448 281 L N 0.343 121.618 121.223 0.086 0.000 2.012 281 L HA -0.141 4.224 4.340 0.042 0.000 0.210 281 L C 2.500 179.406 176.870 0.061 0.000 1.073 281 L CA 1.033 55.893 54.840 0.033 0.000 0.748 281 L CB -0.942 41.044 42.059 -0.123 0.000 0.891 281 L HN -0.009 nan 8.230 nan 0.000 0.431 282 V N -0.523 119.483 119.914 0.154 0.000 2.490 282 V HA -0.267 3.878 4.120 0.042 0.000 0.250 282 V C 2.183 178.399 176.094 0.203 0.000 1.061 282 V CA 1.467 63.921 62.300 0.257 0.000 1.064 282 V CB -0.619 31.487 31.823 0.472 0.000 0.670 282 V HN 0.399 nan 8.190 nan 0.000 0.461 283 D N -0.594 119.869 120.400 0.104 0.000 2.158 283 D HA -0.170 4.496 4.640 0.042 0.000 0.197 283 D C 1.746 177.904 176.300 -0.236 0.000 0.995 283 D CA 1.453 55.414 54.000 -0.065 0.000 0.846 283 D CB -0.175 40.499 40.800 -0.210 0.000 0.941 283 D HN 0.511 nan 8.370 nan 0.000 0.456 284 H N -0.552 118.565 119.070 0.078 0.000 2.592 284 H HA 0.158 4.739 4.556 0.042 0.000 0.279 284 H C 1.442 176.769 175.328 -0.003 0.000 1.089 284 H CA -0.126 55.946 56.048 0.039 0.000 1.150 284 H CB 0.611 30.475 29.762 0.171 0.000 1.575 284 H HN 0.305 nan 8.280 nan 0.000 0.547 285 E N 0.366 120.606 120.200 0.066 0.000 2.085 285 E HA -0.180 4.195 4.350 0.042 0.000 0.194 285 E C 0.495 176.995 176.600 -0.167 0.000 0.994 285 E CA 1.005 57.413 56.400 0.014 0.000 0.801 285 E CB 0.125 29.749 29.700 -0.127 0.000 0.743 285 E HN 0.412 nan 8.360 nan 0.000 0.453 286 W N -0.492 120.703 121.300 -0.175 0.000 3.400 286 W HA 0.139 4.824 4.660 0.042 0.000 0.347 286 W C 0.569 177.031 176.519 -0.095 0.000 1.218 286 W CA -0.093 57.131 57.345 -0.203 0.000 1.837 286 W CB 0.239 29.511 29.460 -0.313 0.000 1.067 286 W HN 0.182 nan 8.180 nan 0.000 0.701 287 H N -0.682 118.525 119.070 0.228 0.000 2.528 287 H HA 0.104 4.685 4.556 0.042 0.000 0.282 287 H C 1.394 176.775 175.328 0.088 0.000 1.097 287 H CA -0.055 56.097 56.048 0.174 0.000 1.121 287 H CB 0.464 30.358 29.762 0.221 0.000 1.590 287 H HN 0.067 nan 8.280 nan 0.000 0.553 288 V N -1.644 118.345 119.914 0.124 0.000 3.276 288 V HA 0.299 4.444 4.120 0.042 0.000 0.319 288 V C 0.156 176.221 176.094 -0.049 0.000 1.427 288 V CA -0.316 61.993 62.300 0.015 0.000 1.102 288 V CB -0.320 31.473 31.823 -0.049 0.000 1.020 288 V HN 0.127 nan 8.190 nan 0.000 0.456 289 L N 2.582 123.802 121.223 -0.006 0.000 2.349 289 L HA 0.381 4.746 4.340 0.042 0.000 0.275 289 L C -0.272 176.598 176.870 0.000 0.000 1.115 289 L CA -1.367 53.461 54.840 -0.021 0.000 0.820 289 L CB 1.245 43.313 42.059 0.015 0.000 1.135 289 L HN 0.087 nan 8.230 nan 0.000 0.445 290 P HA -0.146 nan 4.420 nan 0.000 0.216 290 P C -0.314 176.989 177.300 0.006 0.000 1.150 290 P CA 1.318 64.413 63.100 -0.009 0.000 0.837 290 P CB 0.333 32.022 31.700 -0.018 0.000 0.786 291 Q N -1.345 118.462 119.800 0.012 0.000 2.416 291 Q HA 0.323 4.688 4.340 0.042 0.000 0.281 291 Q C -0.608 175.412 176.000 0.033 0.000 1.067 291 Q CA -0.733 55.082 55.803 0.020 0.000 0.809 291 Q CB 1.499 30.245 28.738 0.014 0.000 1.418 291 Q HN 0.005 nan 8.270 nan 0.000 0.411 292 E N 1.261 121.484 120.200 0.039 0.000 2.465 292 E HA 0.280 4.655 4.350 0.042 0.000 0.260 292 E C -1.119 175.505 176.600 0.040 0.000 0.980 292 E CA 0.311 56.739 56.400 0.048 0.000 0.927 292 E CB 0.312 30.038 29.700 0.044 0.000 0.934 292 E HN 0.615 nan 8.360 nan 0.000 0.459 293 S N 3.993 119.721 115.700 0.047 0.000 2.596 293 S HA 0.252 4.748 4.470 0.042 0.000 0.305 293 S C -0.342 174.281 174.600 0.038 0.000 1.086 293 S CA -1.004 57.217 58.200 0.035 0.000 0.909 293 S CB -0.483 62.728 63.200 0.018 0.000 1.106 293 S HN 0.591 nan 8.310 nan 0.000 0.450 294 I N -0.107 120.494 120.570 0.052 0.000 2.764 294 I HA 0.760 4.956 4.170 0.042 0.000 0.294 294 I C 0.525 176.659 176.117 0.028 0.000 1.045 294 I CA -0.612 60.733 61.300 0.076 0.000 1.340 294 I CB 0.009 38.100 38.000 0.152 0.000 1.436 294 I HN 0.858 nan 8.210 nan 0.000 0.567 295 F N 1.688 121.480 119.950 -0.264 0.000 3.080 295 F HA -0.207 4.345 4.527 0.042 0.000 0.292 295 F C 0.106 175.395 175.800 -0.851 0.000 0.891 295 F CA 0.851 58.464 58.000 -0.645 0.000 1.086 295 F CB -0.932 37.657 39.000 -0.686 0.000 1.095 295 F HN 0.707 nan 8.300 nan 0.000 0.633 296 R N -0.029 119.993 120.500 -0.795 0.000 2.725 296 R HA 0.767 5.132 4.340 0.042 0.000 0.277 296 R C -1.501 174.280 176.300 -0.865 0.000 0.987 296 R CA -0.442 55.253 56.100 -0.674 0.000 0.901 296 R CB 1.275 31.459 30.300 -0.193 0.000 1.207 296 R HN -0.041 nan 8.270 nan 0.000 0.463 297 F N 0.218 120.234 119.950 0.111 0.000 2.569 297 F HA 0.346 4.898 4.527 0.042 0.000 0.312 297 F C 1.021 176.718 175.800 -0.170 0.000 1.109 297 F CA -0.860 57.127 58.000 -0.021 0.000 0.919 297 F CB 2.344 41.447 39.000 0.172 0.000 1.211 297 F HN 0.456 nan 8.300 nan 0.000 0.446 298 S N 0.907 116.464 115.700 -0.239 0.000 2.356 298 S HA -0.021 4.474 4.470 0.042 0.000 0.223 298 S C -0.016 174.140 174.600 -0.741 0.000 1.032 298 S CA 1.231 59.104 58.200 -0.546 0.000 1.005 298 S CB -0.205 62.577 63.200 -0.697 0.000 0.867 298 S HN 0.362 nan 8.310 nan 0.000 0.449 299 F N 1.304 121.248 119.950 -0.011 0.000 2.460 299 F HA 0.601 5.154 4.527 0.042 0.000 0.341 299 F C -0.073 175.733 175.800 0.010 0.000 1.130 299 F CA -0.956 57.070 58.000 0.044 0.000 0.962 299 F CB 1.542 40.600 39.000 0.097 0.000 1.171 299 F HN -0.087 nan 8.300 nan 0.000 0.436 300 V N 0.794 120.660 119.914 -0.080 0.000 3.182 300 V HA 0.758 4.903 4.120 0.042 0.000 0.308 300 V C -2.984 172.659 176.094 -0.751 0.000 1.240 300 V CA -3.225 58.673 62.300 -0.670 0.000 1.063 300 V CB 2.057 33.700 31.823 -0.301 0.000 1.076 300 V HN 0.297 nan 8.190 nan 0.000 0.446 301 P HA 0.215 nan 4.420 nan 0.000 0.267 301 P C -0.830 176.297 177.300 -0.289 0.000 1.201 301 P CA 0.294 63.046 63.100 -0.580 0.000 0.775 301 P CB 0.633 31.935 31.700 -0.663 0.000 0.854 302 V N 3.814 123.647 119.914 -0.135 0.000 2.604 302 V HA 0.261 4.406 4.120 0.042 0.000 0.305 302 V C -0.574 175.490 176.094 -0.049 0.000 1.043 302 V CA -0.956 61.299 62.300 -0.075 0.000 0.888 302 V CB 2.140 33.952 31.823 -0.018 0.000 0.995 302 V HN 0.140 nan 8.190 nan 0.000 0.429 303 V N 7.326 127.213 119.914 -0.045 0.000 2.381 303 V HA 0.236 4.381 4.120 0.042 0.000 0.257 303 V C 0.671 176.765 176.094 -0.000 0.000 1.057 303 V CA 0.401 62.690 62.300 -0.019 0.000 1.013 303 V CB 0.382 32.187 31.823 -0.031 0.000 1.069 303 V HN 1.045 nan 8.190 nan 0.000 0.484 304 D N 2.780 123.196 120.400 0.025 0.000 2.469 304 D HA 0.166 4.832 4.640 0.042 0.000 0.213 304 D C 1.466 177.787 176.300 0.035 0.000 1.135 304 D CA 0.497 54.516 54.000 0.032 0.000 0.834 304 D CB 0.644 41.474 40.800 0.050 0.000 1.009 304 D HN 0.681 nan 8.370 nan 0.000 0.507 305 G N 0.819 109.640 108.800 0.034 0.000 2.189 305 G HA2 -0.381 3.604 3.960 0.042 0.000 0.267 305 G HA3 -0.381 3.604 3.960 0.042 0.000 0.267 305 G C 0.625 175.546 174.900 0.035 0.000 0.975 305 G CA 0.965 46.081 45.100 0.027 0.000 0.644 305 G HN 0.532 nan 8.290 nan 0.000 0.537 306 D N -1.150 119.288 120.400 0.063 0.000 2.928 306 D HA 0.225 4.890 4.640 0.042 0.000 0.265 306 D C 1.919 178.273 176.300 0.090 0.000 1.542 306 D CA 0.467 54.510 54.000 0.070 0.000 1.133 306 D CB -0.483 40.371 40.800 0.089 0.000 1.057 306 D HN 0.119 nan 8.370 nan 0.000 0.331 307 F N 0.957 120.911 119.950 0.006 0.000 2.069 307 F HA 0.105 4.658 4.527 0.042 0.000 0.298 307 F C 0.682 176.477 175.800 -0.008 0.000 1.113 307 F CA 1.194 59.195 58.000 0.002 0.000 1.214 307 F CB 0.078 39.076 39.000 -0.003 0.000 0.978 307 F HN -0.031 nan 8.300 nan 0.000 0.474 308 L N 0.737 122.122 121.223 0.271 0.000 2.277 308 L HA 0.194 4.559 4.340 0.042 0.000 0.284 308 L C 1.410 178.321 176.870 0.067 0.000 1.028 308 L CA -0.170 54.757 54.840 0.145 0.000 0.835 308 L CB 1.375 43.507 42.059 0.121 0.000 1.215 308 L HN 0.101 nan 8.230 nan 0.000 0.425 309 S N 0.816 116.535 115.700 0.032 0.000 2.402 309 S HA -0.037 4.458 4.470 0.042 0.000 0.229 309 S C 0.532 175.138 174.600 0.009 0.000 1.021 309 S CA 0.632 58.840 58.200 0.013 0.000 0.974 309 S CB 0.185 63.383 63.200 -0.004 0.000 0.800 309 S HN 0.695 nan 8.310 nan 0.000 0.484 310 D N 0.226 120.632 120.400 0.010 0.000 2.652 310 D HA 0.338 5.003 4.640 0.042 0.000 0.285 310 D C -0.739 175.560 176.300 -0.001 0.000 1.173 310 D CA -0.001 54.000 54.000 0.001 0.000 0.981 310 D CB 1.829 42.627 40.800 -0.003 0.000 1.440 310 D HN 0.297 nan 8.370 nan 0.000 0.485 311 T N -0.993 113.553 114.554 -0.014 0.000 2.906 311 T HA 0.167 4.542 4.350 0.042 0.000 0.320 311 T C -1.805 172.882 174.700 -0.021 0.000 1.088 311 T CA -0.716 61.367 62.100 -0.028 0.000 1.120 311 T CB 0.821 69.666 68.868 -0.039 0.000 1.000 311 T HN 0.125 nan 8.240 nan 0.000 0.550 312 P HA -0.110 nan 4.420 nan 0.000 0.216 312 P C 1.589 178.878 177.300 -0.018 0.000 1.153 312 P CA 1.001 64.083 63.100 -0.030 0.000 0.858 312 P CB 0.065 31.717 31.700 -0.081 0.000 0.789 313 E N -0.405 119.773 120.200 -0.038 0.000 2.049 313 E HA -0.261 4.114 4.350 0.042 0.000 0.198 313 E C 1.971 178.572 176.600 0.001 0.000 1.007 313 E CA 1.606 57.991 56.400 -0.025 0.000 0.809 313 E CB -0.534 29.144 29.700 -0.037 0.000 0.749 313 E HN 0.072 nan 8.360 nan 0.000 0.450 314 A N 0.871 123.690 122.820 -0.003 0.000 1.908 314 A HA -0.173 4.172 4.320 0.042 0.000 0.218 314 A C 2.222 179.819 177.584 0.021 0.000 1.181 314 A CA 1.267 53.306 52.037 0.004 0.000 0.627 314 A CB -0.609 18.388 19.000 -0.005 0.000 0.818 314 A HN 0.276 nan 8.150 nan 0.000 0.445 315 L N -0.290 120.955 121.223 0.036 0.000 2.179 315 L HA -0.060 4.305 4.340 0.042 0.000 0.208 315 L C 2.499 179.460 176.870 0.150 0.000 1.096 315 L CA 1.212 56.092 54.840 0.067 0.000 0.779 315 L CB -0.447 41.657 42.059 0.075 0.000 0.922 315 L HN 0.678 nan 8.230 nan 0.000 0.443 316 I N -3.446 117.220 120.570 0.160 0.000 2.716 316 I HA -0.066 4.130 4.170 0.042 0.000 0.259 316 I C 1.921 178.163 176.117 0.208 0.000 1.172 316 I CA 0.941 62.397 61.300 0.260 0.000 1.478 316 I CB -0.357 37.711 38.000 0.114 0.000 1.104 316 I HN 0.137 nan 8.210 nan 0.000 0.439 317 N N 1.609 120.369 118.700 0.100 0.000 2.244 317 N HA -0.111 4.654 4.740 0.042 0.000 0.183 317 N C 1.853 177.385 175.510 0.037 0.000 1.016 317 N CA 2.180 55.268 53.050 0.065 0.000 0.866 317 N CB -0.227 38.279 38.487 0.032 0.000 0.980 317 N HN 0.686 nan 8.380 nan 0.000 0.430 318 T N -3.849 110.708 114.554 0.005 0.000 3.003 318 T HA 0.300 4.675 4.350 0.042 0.000 0.261 318 T C 0.987 175.598 174.700 -0.149 0.000 1.003 318 T CA -0.250 61.819 62.100 -0.052 0.000 0.917 318 T CB 0.138 68.980 68.868 -0.043 0.000 1.084 318 T HN 0.035 nan 8.240 nan 0.000 0.522 319 G N 0.923 109.576 108.800 -0.245 0.000 2.667 319 G HA2 0.409 4.394 3.960 0.042 0.000 0.250 319 G HA3 0.409 4.394 3.960 0.042 0.000 0.250 319 G C -1.109 173.294 174.900 -0.828 0.000 1.212 319 G CA -0.371 44.361 45.100 -0.614 0.000 0.874 319 G HN 0.368 nan 8.290 nan 0.000 0.561 320 D N -0.686 119.232 120.400 -0.803 0.000 2.414 320 D HA 0.423 5.089 4.640 0.042 0.000 0.232 320 D C -0.564 175.443 176.300 -0.488 0.000 1.070 320 D CA -0.655 53.028 54.000 -0.528 0.000 0.839 320 D CB 0.675 41.328 40.800 -0.245 0.000 1.079 320 D HN 0.065 nan 8.370 nan 0.000 0.521 321 F N 2.159 122.111 119.950 0.004 0.000 2.850 321 F HA 0.250 4.803 4.527 0.042 0.000 0.306 321 F C 1.875 177.680 175.800 0.008 0.000 1.162 321 F CA -0.342 57.664 58.000 0.010 0.000 1.327 321 F CB 0.237 39.251 39.000 0.023 0.000 0.953 321 F HN 0.411 nan 8.300 nan 0.000 0.507 322 Q N -0.040 119.826 119.800 0.110 0.000 2.046 322 Q HA -0.115 4.250 4.340 0.042 0.000 0.200 322 Q C 0.363 176.401 176.000 0.063 0.000 0.975 322 Q CA 1.207 57.052 55.803 0.070 0.000 0.836 322 Q CB 0.028 28.780 28.738 0.023 0.000 0.896 322 Q HN 0.268 nan 8.270 nan 0.000 0.428 323 D N 0.529 120.960 120.400 0.052 0.000 2.881 323 D HA 0.168 4.833 4.640 0.042 0.000 0.240 323 D C -0.804 175.525 176.300 0.049 0.000 1.249 323 D CA 0.124 54.146 54.000 0.036 0.000 0.839 323 D CB 0.017 40.824 40.800 0.012 0.000 1.042 323 D HN -0.004 nan 8.370 nan 0.000 0.475 324 L N 0.903 122.175 121.223 0.082 0.000 2.385 324 L HA 0.345 4.710 4.340 0.042 0.000 0.273 324 L C -1.130 175.804 176.870 0.106 0.000 0.990 324 L CA -0.579 54.320 54.840 0.098 0.000 0.821 324 L CB 2.144 44.287 42.059 0.139 0.000 1.279 324 L HN -0.228 nan 8.230 nan 0.000 0.412 325 Q N 3.130 123.006 119.800 0.127 0.000 2.312 325 Q HA 0.818 5.183 4.340 0.042 0.000 0.263 325 Q C -1.404 174.833 176.000 0.394 0.000 0.995 325 Q CA -0.481 55.449 55.803 0.211 0.000 0.853 325 Q CB 2.687 31.481 28.738 0.093 0.000 1.300 325 Q HN 0.454 nan 8.270 nan 0.000 0.448 326 V N 2.524 122.671 119.914 0.388 0.000 2.808 326 V HA 0.470 4.616 4.120 0.042 0.000 0.308 326 V C -1.561 174.517 176.094 -0.027 0.000 1.099 326 V CA -0.826 61.604 62.300 0.217 0.000 0.920 326 V CB 2.089 33.941 31.823 0.047 0.000 1.014 326 V HN 0.625 nan 8.190 nan 0.000 0.425 327 L N 7.060 128.047 121.223 -0.393 0.000 2.319 327 L HA 0.857 5.223 4.340 0.042 0.000 0.281 327 L C -0.510 176.226 176.870 -0.224 0.000 1.005 327 L CA -0.111 54.394 54.840 -0.557 0.000 0.828 327 L CB 1.549 42.815 42.059 -1.322 0.000 1.227 327 L HN 0.566 nan 8.230 nan 0.000 0.415 328 V N 2.116 121.952 119.914 -0.131 0.000 2.864 328 V HA 1.120 5.265 4.120 0.042 0.000 0.314 328 V C 0.091 175.955 176.094 -0.383 0.000 1.073 328 V CA 0.053 62.261 62.300 -0.153 0.000 0.956 328 V CB 1.067 32.776 31.823 -0.190 0.000 1.023 328 V HN 0.974 nan 8.190 nan 0.000 0.435 329 G N 0.754 109.175 108.800 -0.632 0.000 2.495 329 G HA2 0.774 4.760 3.960 0.042 0.000 0.294 329 G HA3 0.774 4.760 3.960 0.042 0.000 0.294 329 G C -1.225 173.351 174.900 -0.540 0.000 1.397 329 G CA 0.032 44.356 45.100 -1.294 0.000 0.790 329 G HN 1.951 nan 8.290 nan 0.000 0.486 330 V N -2.384 117.357 119.914 -0.287 0.000 3.160 330 V HA 0.922 5.067 4.120 0.042 0.000 0.310 330 V C 0.249 176.535 176.094 0.320 0.000 1.181 330 V CA -0.482 61.864 62.300 0.077 0.000 1.047 330 V CB 1.164 33.005 31.823 0.031 0.000 1.068 330 V HN 1.739 nan 8.190 nan 0.000 0.441 331 V N -0.644 119.470 119.914 0.334 0.000 3.109 331 V HA 0.560 4.705 4.120 0.042 0.000 0.317 331 V C 1.409 177.698 176.094 0.325 0.000 1.074 331 V CA -0.084 62.462 62.300 0.410 0.000 1.033 331 V CB 1.232 33.284 31.823 0.381 0.000 1.111 331 V HN 1.089 nan 8.190 nan 0.000 0.458 332 K N -0.318 120.280 120.400 0.330 0.000 2.280 332 K HA -0.075 4.270 4.320 0.042 0.000 0.202 332 K C 0.237 176.967 176.600 0.217 0.000 1.047 332 K CA 1.725 58.159 56.287 0.246 0.000 0.942 332 K CB 0.097 32.725 32.500 0.214 0.000 0.739 332 K HN 0.892 nan 8.250 nan 0.000 0.457 333 D N 0.825 121.364 120.400 0.231 0.000 2.879 333 D HA 0.023 4.688 4.640 0.042 0.000 0.351 333 D C 0.088 176.530 176.300 0.238 0.000 1.239 333 D CA -0.085 54.041 54.000 0.209 0.000 0.771 333 D CB 1.133 42.038 40.800 0.173 0.000 1.176 333 D HN 0.107 nan 8.370 nan 0.000 0.496 334 E N 0.362 120.701 120.200 0.233 0.000 2.147 334 E HA -0.158 4.217 4.350 0.042 0.000 0.199 334 E C 1.858 178.632 176.600 0.291 0.000 1.005 334 E CA 0.987 57.541 56.400 0.256 0.000 0.810 334 E CB 0.135 29.927 29.700 0.153 0.000 0.736 334 E HN 0.421 nan 8.360 nan 0.000 0.460 335 G N 0.596 109.535 108.800 0.231 0.000 2.838 335 G HA2 -0.106 3.879 3.960 0.042 0.000 0.210 335 G HA3 -0.106 3.879 3.960 0.042 0.000 0.210 335 G C 1.671 176.756 174.900 0.308 0.000 1.153 335 G CA 0.692 45.945 45.100 0.254 0.000 0.778 335 G HN 0.350 nan 8.290 nan 0.000 0.539 336 S N 0.369 116.216 115.700 0.245 0.000 2.351 336 S HA -0.266 4.230 4.470 0.042 0.000 0.220 336 S C 2.067 176.714 174.600 0.080 0.000 1.035 336 S CA 1.350 59.644 58.200 0.156 0.000 1.031 336 S CB -0.961 62.235 63.200 -0.007 0.000 0.928 336 S HN 0.356 nan 8.310 nan 0.000 0.433 337 Y N 1.840 122.058 120.300 -0.136 0.000 2.096 337 Y HA -0.270 4.305 4.550 0.042 0.000 0.278 337 Y C 1.956 177.719 175.900 -0.228 0.000 1.192 337 Y CA 2.284 60.142 58.100 -0.403 0.000 1.143 337 Y CB -0.607 37.495 38.460 -0.596 0.000 0.963 337 Y HN 0.303 nan 8.280 nan 0.000 0.505 338 F N -1.069 119.006 119.950 0.207 0.000 2.661 338 F HA -0.082 4.469 4.527 0.041 0.000 0.298 338 F C 1.900 177.811 175.800 0.185 0.000 1.137 338 F CA 0.530 58.641 58.000 0.185 0.000 1.454 338 F CB -0.464 38.572 39.000 0.061 0.000 1.103 338 F HN 0.034 nan 8.300 nan 0.000 0.577 339 L N -0.131 121.237 121.223 0.241 0.000 2.093 339 L HA -0.142 4.223 4.340 0.042 0.000 0.208 339 L C 2.419 179.390 176.870 0.168 0.000 1.085 339 L CA 1.063 55.926 54.840 0.037 0.000 0.755 339 L CB -0.765 41.129 42.059 -0.276 0.000 0.904 339 L HN 0.167 nan 8.230 nan 0.000 0.435 340 V N -4.603 115.464 119.914 0.256 0.000 3.305 340 V HA -0.172 3.974 4.120 0.042 0.000 0.269 340 V C 0.935 177.068 176.094 0.065 0.000 1.157 340 V CA 0.775 63.215 62.300 0.233 0.000 1.157 340 V CB -1.242 30.730 31.823 0.249 0.000 0.772 340 V HN 0.292 nan 8.190 nan 0.000 0.498 341 Y N 1.949 122.334 120.300 0.142 0.000 2.867 341 Y HA 0.675 5.250 4.550 0.042 0.000 0.351 341 Y C 1.494 177.429 175.900 0.058 0.000 1.046 341 Y CA 0.090 58.245 58.100 0.091 0.000 1.520 341 Y CB 0.413 38.925 38.460 0.087 0.000 1.337 341 Y HN 0.386 nan 8.280 nan 0.000 0.525 342 G N -0.908 107.985 108.800 0.156 0.000 2.234 342 G HA2 -0.150 3.835 3.960 0.042 0.000 0.153 342 G HA3 -0.150 3.835 3.960 0.042 0.000 0.153 342 G C -0.757 174.214 174.900 0.120 0.000 1.013 342 G CA -0.479 44.689 45.100 0.114 0.000 0.712 342 G HN 0.061 nan 8.290 nan 0.000 0.491 343 V N 2.139 122.147 119.914 0.155 0.000 2.333 343 V HA 0.425 4.571 4.120 0.042 0.000 0.274 343 V C -1.725 174.538 176.094 0.281 0.000 1.028 343 V CA -1.825 60.589 62.300 0.190 0.000 0.851 343 V CB 1.208 33.107 31.823 0.127 0.000 1.000 343 V HN 0.089 nan 8.190 nan 0.000 0.456 344 P HA 0.086 nan 4.420 nan 0.000 0.261 344 P C 1.104 178.500 177.300 0.160 0.000 1.158 344 P CA 1.775 64.961 63.100 0.143 0.000 0.758 344 P CB 0.383 32.141 31.700 0.096 0.000 0.763 345 G N 1.369 110.192 108.800 0.038 0.000 2.213 345 G HA2 -0.227 3.758 3.960 0.042 0.000 0.236 345 G HA3 -0.227 3.758 3.960 0.042 0.000 0.236 345 G C -0.156 174.539 174.900 -0.342 0.000 0.991 345 G CA -0.586 44.408 45.100 -0.177 0.000 0.629 345 G HN 0.417 nan 8.290 nan 0.000 0.517 346 F N 1.620 121.572 119.950 0.002 0.000 2.427 346 F HA 0.770 5.322 4.527 0.041 0.000 0.346 346 F C 0.508 176.381 175.800 0.122 0.000 1.120 346 F CA -0.181 57.832 58.000 0.022 0.000 1.033 346 F CB 2.303 41.362 39.000 0.098 0.000 1.126 346 F HN 0.154 nan 8.300 nan 0.000 0.462 347 S N 1.949 117.837 115.700 0.313 0.000 2.541 347 S HA 0.327 4.822 4.470 0.042 0.000 0.271 347 S C 0.370 175.225 174.600 0.425 0.000 1.133 347 S CA -0.875 57.515 58.200 0.316 0.000 0.876 347 S CB 1.396 64.696 63.200 0.166 0.000 1.105 347 S HN 0.724 nan 8.310 nan 0.000 0.470 348 K N 1.898 122.453 120.400 0.259 0.000 2.288 348 K HA 0.092 4.437 4.320 0.042 0.000 0.201 348 K C 0.665 177.292 176.600 0.046 0.000 1.048 348 K CA 1.379 57.730 56.287 0.107 0.000 0.956 348 K CB -0.060 32.227 32.500 -0.356 0.000 0.746 348 K HN 0.452 nan 8.250 nan 0.000 0.461 349 D N 1.073 121.492 120.400 0.030 0.000 2.144 349 D HA -0.076 4.589 4.640 0.042 0.000 0.207 349 D C 0.911 177.238 176.300 0.045 0.000 0.970 349 D CA 1.113 55.108 54.000 -0.008 0.000 0.853 349 D CB -0.224 40.566 40.800 -0.016 0.000 1.007 349 D HN 0.439 nan 8.370 nan 0.000 0.469 350 N N 0.566 119.303 118.700 0.062 0.000 2.284 350 N HA -0.029 4.736 4.740 0.042 0.000 0.266 350 N C 0.771 176.327 175.510 0.076 0.000 1.321 350 N CA 0.322 53.392 53.050 0.033 0.000 0.933 350 N CB -0.114 38.358 38.487 -0.025 0.000 1.067 350 N HN -0.072 nan 8.380 nan 0.000 0.447 351 E N -2.318 117.844 120.200 -0.064 0.000 2.676 351 E HA 0.184 4.559 4.350 0.042 0.000 0.225 351 E C -0.783 175.434 176.600 -0.639 0.000 0.944 351 E CA -0.128 56.159 56.400 -0.188 0.000 1.156 351 E CB 0.320 29.968 29.700 -0.087 0.000 1.117 351 E HN 0.492 nan 8.360 nan 0.000 0.523 352 S N 0.472 115.846 115.700 -0.543 0.000 3.521 352 S HA -0.204 4.291 4.470 0.042 0.000 0.328 352 S C 0.313 174.468 174.600 -0.740 0.000 1.165 352 S CA 0.304 58.042 58.200 -0.770 0.000 0.941 352 S CB -1.853 60.661 63.200 -1.144 0.000 0.951 352 S HN 0.339 nan 8.310 nan 0.000 0.539 353 L N 1.880 122.826 121.223 -0.462 0.000 2.638 353 L HA 0.230 4.595 4.340 0.042 0.000 0.273 353 L C 0.877 177.552 176.870 -0.326 0.000 1.147 353 L CA 0.215 54.858 54.840 -0.330 0.000 0.941 353 L CB -0.311 41.623 42.059 -0.208 0.000 1.251 353 L HN 0.434 nan 8.230 nan 0.000 0.479 354 I N 0.360 120.730 120.570 -0.333 0.000 2.924 354 I HA 0.630 4.825 4.170 0.042 0.000 0.316 354 I C 0.590 176.633 176.117 -0.123 0.000 1.014 354 I CA -0.624 60.517 61.300 -0.266 0.000 1.106 354 I CB 1.728 39.545 38.000 -0.304 0.000 1.311 354 I HN 0.525 nan 8.210 nan 0.000 0.502 355 S N 1.875 117.536 115.700 -0.066 0.000 2.687 355 S HA 0.412 4.907 4.470 0.042 0.000 0.283 355 S C 0.919 175.542 174.600 0.039 0.000 1.170 355 S CA -0.615 57.571 58.200 -0.023 0.000 1.008 355 S CB 1.751 64.942 63.200 -0.014 0.000 1.026 355 S HN 0.851 nan 8.310 nan 0.000 0.541 356 R N 0.981 121.500 120.500 0.031 0.000 2.119 356 R HA -0.183 4.182 4.340 0.042 0.000 0.246 356 R C 2.296 178.693 176.300 0.161 0.000 1.146 356 R CA 2.119 58.272 56.100 0.087 0.000 0.962 356 R CB -1.183 29.140 30.300 0.039 0.000 0.863 356 R HN 0.861 nan 8.270 nan 0.000 0.442 357 A N 0.199 123.079 122.820 0.100 0.000 1.902 357 A HA -0.209 4.136 4.320 0.042 0.000 0.217 357 A C 2.064 179.709 177.584 0.101 0.000 1.181 357 A CA 1.601 53.692 52.037 0.091 0.000 0.623 357 A CB -0.512 18.521 19.000 0.056 0.000 0.818 357 A HN 0.544 nan 8.150 nan 0.000 0.443 358 Q N -1.816 118.043 119.800 0.099 0.000 2.170 358 Q HA -0.167 4.198 4.340 0.042 0.000 0.203 358 Q C 1.878 177.985 176.000 0.178 0.000 0.976 358 Q CA 1.598 57.467 55.803 0.109 0.000 0.858 358 Q CB -0.311 28.465 28.738 0.065 0.000 0.907 358 Q HN 0.796 nan 8.270 nan 0.000 0.433 359 F N 0.899 120.889 119.950 0.067 0.000 2.146 359 F HA -0.208 4.348 4.527 0.049 0.000 0.298 359 F C 1.806 177.655 175.800 0.081 0.000 1.096 359 F CA 0.936 58.990 58.000 0.091 0.000 1.275 359 F CB 0.036 39.073 39.000 0.061 0.000 1.008 359 F HN -0.014 nan 8.300 nan 0.000 0.480 360 L N 0.226 121.457 121.223 0.013 0.000 2.046 360 L HA -0.213 4.152 4.340 0.042 0.000 0.208 360 L C 2.756 179.574 176.870 -0.087 0.000 1.077 360 L CA 1.771 56.568 54.840 -0.072 0.000 0.747 360 L CB -1.845 40.249 42.059 0.059 0.000 0.896 360 L HN 0.350 nan 8.230 nan 0.000 0.432 361 A N -0.037 122.772 122.820 -0.019 0.000 1.897 361 A HA -0.045 4.300 4.320 0.042 0.000 0.215 361 A C 2.383 179.957 177.584 -0.016 0.000 1.181 361 A CA 1.383 53.419 52.037 -0.002 0.000 0.620 361 A CB -1.051 17.969 19.000 0.033 0.000 0.821 361 A HN 0.421 nan 8.150 nan 0.000 0.443 362 G N -0.604 108.191 108.800 -0.008 0.000 2.462 362 G HA2 -0.095 3.890 3.960 0.042 0.000 0.220 362 G HA3 -0.095 3.890 3.960 0.042 0.000 0.220 362 G C 1.402 176.244 174.900 -0.096 0.000 1.121 362 G CA 1.255 46.356 45.100 0.002 0.000 0.758 362 G HN 0.319 nan 8.290 nan 0.000 0.559 363 V N 0.881 120.666 119.914 -0.215 0.000 2.453 363 V HA -0.053 4.092 4.120 0.042 0.000 0.247 363 V C 2.722 178.757 176.094 -0.098 0.000 1.048 363 V CA 1.239 63.408 62.300 -0.217 0.000 1.049 363 V CB -0.274 31.334 31.823 -0.357 0.000 0.672 363 V HN 0.272 nan 8.190 nan 0.000 0.457 364 R N -0.164 120.295 120.500 -0.068 0.000 2.280 364 R HA 0.128 4.493 4.340 0.042 0.000 0.207 364 R C 1.837 178.130 176.300 -0.013 0.000 1.043 364 R CA 0.949 57.032 56.100 -0.029 0.000 1.006 364 R CB -0.425 29.867 30.300 -0.013 0.000 0.885 364 R HN 0.474 nan 8.270 nan 0.000 0.467 365 I N -0.724 119.839 120.570 -0.012 0.000 2.867 365 I HA 0.017 4.212 4.170 0.042 0.000 0.265 365 I C 2.224 178.346 176.117 0.008 0.000 1.162 365 I CA 0.859 62.165 61.300 0.009 0.000 1.471 365 I CB -0.201 37.815 38.000 0.027 0.000 1.123 365 I HN 0.121 nan 8.210 nan 0.000 0.440 366 G N 0.564 109.356 108.800 -0.013 0.000 2.453 366 G HA2 -0.009 3.977 3.960 0.042 0.000 0.215 366 G HA3 -0.009 3.977 3.960 0.042 0.000 0.215 366 G C 0.835 175.728 174.900 -0.012 0.000 1.147 366 G CA 0.362 45.456 45.100 -0.010 0.000 0.802 366 G HN 0.197 nan 8.290 nan 0.000 0.535 367 V N 2.323 122.210 119.914 -0.046 0.000 2.233 367 V HA 0.229 4.374 4.120 0.042 0.000 0.261 367 V C -1.426 174.650 176.094 -0.031 0.000 1.076 367 V CA -1.139 61.099 62.300 -0.103 0.000 1.001 367 V CB 1.364 33.124 31.823 -0.105 0.000 1.206 367 V HN 0.113 nan 8.190 nan 0.000 0.468 368 P HA -0.093 nan 4.420 nan 0.000 0.223 368 P C 1.057 178.364 177.300 0.011 0.000 1.151 368 P CA 0.832 63.938 63.100 0.011 0.000 0.787 368 P CB 0.595 32.306 31.700 0.019 0.000 0.788 369 Q N -0.248 119.564 119.800 0.020 0.000 2.444 369 Q HA 0.237 4.602 4.340 0.042 0.000 0.206 369 Q C 0.689 176.690 176.000 0.002 0.000 0.948 369 Q CA -0.008 55.804 55.803 0.016 0.000 0.946 369 Q CB -0.494 28.264 28.738 0.034 0.000 1.027 369 Q HN 0.177 nan 8.270 nan 0.000 0.513 370 A N 0.569 123.386 122.820 -0.004 0.000 2.328 370 A HA 0.493 4.838 4.320 0.042 0.000 0.284 370 A C 0.328 177.908 177.584 -0.006 0.000 1.160 370 A CA -0.469 51.563 52.037 -0.009 0.000 0.818 370 A CB 0.319 19.314 19.000 -0.007 0.000 1.087 370 A HN 0.336 nan 8.150 nan 0.000 0.504 371 S N 2.027 117.721 115.700 -0.010 0.000 2.606 371 S HA 0.098 4.593 4.470 0.042 0.000 0.257 371 S C 0.406 175.010 174.600 0.007 0.000 1.327 371 S CA 0.439 58.636 58.200 -0.005 0.000 0.984 371 S CB 0.239 63.431 63.200 -0.013 0.000 0.941 371 S HN 0.635 nan 8.310 nan 0.000 0.576 372 D N 0.309 120.716 120.400 0.012 0.000 2.116 372 D HA -0.114 4.551 4.640 0.042 0.000 0.193 372 D C 1.729 178.051 176.300 0.036 0.000 0.998 372 D CA 1.202 55.215 54.000 0.023 0.000 0.836 372 D CB -0.332 40.481 40.800 0.023 0.000 0.951 372 D HN 0.361 nan 8.370 nan 0.000 0.449 373 L N 0.708 121.951 121.223 0.033 0.000 2.027 373 L HA 0.006 4.371 4.340 0.042 0.000 0.206 373 L C 2.093 179.004 176.870 0.069 0.000 1.074 373 L CA 1.706 56.577 54.840 0.051 0.000 0.745 373 L CB -0.987 41.095 42.059 0.038 0.000 0.898 373 L HN 0.039 nan 8.230 nan 0.000 0.433 374 A N -0.489 122.352 122.820 0.036 0.000 1.940 374 A HA -0.174 4.172 4.320 0.042 0.000 0.219 374 A C 2.432 180.063 177.584 0.078 0.000 1.176 374 A CA 2.018 54.076 52.037 0.035 0.000 0.631 374 A CB -1.158 17.827 19.000 -0.026 0.000 0.814 374 A HN 0.591 nan 8.150 nan 0.000 0.446 375 A N -0.731 122.124 122.820 0.057 0.000 1.898 375 A HA -0.134 4.211 4.320 0.042 0.000 0.216 375 A C 1.987 179.625 177.584 0.090 0.000 1.181 375 A CA 1.705 53.775 52.037 0.055 0.000 0.620 375 A CB -0.467 18.549 19.000 0.025 0.000 0.819 375 A HN 0.619 nan 8.150 nan 0.000 0.442 376 E N -0.380 119.881 120.200 0.103 0.000 2.106 376 E HA -0.071 4.305 4.350 0.042 0.000 0.192 376 E C 2.194 178.898 176.600 0.172 0.000 0.984 376 E CA 0.843 57.323 56.400 0.133 0.000 0.806 376 E CB -0.214 29.555 29.700 0.114 0.000 0.750 376 E HN 0.580 nan 8.360 nan 0.000 0.458 377 A N 0.273 123.209 122.820 0.193 0.000 1.908 377 A HA -0.168 4.178 4.320 0.042 0.000 0.218 377 A C 2.372 180.067 177.584 0.184 0.000 1.181 377 A CA 1.360 53.550 52.037 0.256 0.000 0.627 377 A CB -0.629 18.633 19.000 0.437 0.000 0.818 377 A HN 0.187 nan 8.150 nan 0.000 0.445 378 V N -0.528 119.520 119.914 0.223 0.000 2.261 378 V HA -0.230 3.916 4.120 0.042 0.000 0.246 378 V C 2.580 178.852 176.094 0.297 0.000 1.047 378 V CA 2.010 64.431 62.300 0.201 0.000 1.015 378 V CB -0.795 31.144 31.823 0.195 0.000 0.642 378 V HN 0.370 nan 8.190 nan 0.000 0.446 379 V N -0.059 120.010 119.914 0.258 0.000 2.332 379 V HA -0.260 3.885 4.120 0.042 0.000 0.248 379 V C 2.266 178.604 176.094 0.407 0.000 1.055 379 V CA 2.039 64.569 62.300 0.383 0.000 1.038 379 V CB -0.544 31.461 31.823 0.303 0.000 0.651 379 V HN 0.460 nan 8.190 nan 0.000 0.450 380 L N -0.845 120.595 121.223 0.362 0.000 2.156 380 L HA -0.153 4.212 4.340 0.042 0.000 0.208 380 L C 2.503 179.598 176.870 0.376 0.000 1.095 380 L CA 1.661 56.795 54.840 0.490 0.000 0.770 380 L CB -0.760 41.491 42.059 0.319 0.000 0.914 380 L HN 0.435 nan 8.230 nan 0.000 0.439 381 H N -0.666 118.410 119.070 0.010 0.000 2.363 381 H HA -0.156 4.428 4.556 0.046 0.000 0.301 381 H C 1.777 176.983 175.328 -0.202 0.000 1.074 381 H CA 1.835 57.727 56.048 -0.260 0.000 1.354 381 H CB 0.061 29.333 29.762 -0.815 0.000 1.397 381 H HN 0.231 nan 8.280 nan 0.000 0.516 382 Y N -0.214 120.131 120.300 0.074 0.000 2.500 382 Y HA 0.135 4.710 4.550 0.041 0.000 0.270 382 Y C 0.733 176.573 175.900 -0.100 0.000 1.134 382 Y CA 0.306 58.451 58.100 0.075 0.000 1.293 382 Y CB 0.343 39.000 38.460 0.328 0.000 1.063 382 Y HN 0.024 nan 8.280 nan 0.000 0.534 383 T N 1.704 116.187 114.554 -0.118 0.000 2.853 383 T HA -0.075 4.300 4.350 0.042 0.000 0.298 383 T C -0.190 174.108 174.700 -0.670 0.000 0.978 383 T CA -0.213 61.523 62.100 -0.606 0.000 1.152 383 T CB 0.198 68.360 68.868 -1.176 0.000 0.914 383 T HN 0.067 nan 8.240 nan 0.000 0.539 384 D N 2.194 122.281 120.400 -0.521 0.000 2.344 384 D HA 0.052 4.717 4.640 0.042 0.000 0.253 384 D C 0.135 176.141 176.300 -0.490 0.000 1.255 384 D CA -0.479 53.278 54.000 -0.405 0.000 0.894 384 D CB 0.396 40.985 40.800 -0.351 0.000 1.067 384 D HN 0.623 nan 8.370 nan 0.000 0.492 385 W N 3.178 124.375 121.300 -0.172 0.000 2.699 385 W HA 0.034 4.718 4.660 0.039 0.000 0.249 385 W C 2.090 178.483 176.519 -0.210 0.000 1.280 385 W CA -0.266 56.985 57.345 -0.156 0.000 1.345 385 W CB -0.003 29.384 29.460 -0.121 0.000 1.128 385 W HN 0.436 nan 8.180 nan 0.000 0.642 386 L N -1.109 120.001 121.223 -0.188 0.000 2.156 386 L HA -0.116 4.249 4.340 0.042 0.000 0.208 386 L C 0.302 176.780 176.870 -0.652 0.000 1.095 386 L CA 1.227 55.793 54.840 -0.456 0.000 0.770 386 L CB -0.265 41.378 42.059 -0.694 0.000 0.914 386 L HN 0.039 nan 8.230 nan 0.000 0.439 387 H N -2.631 116.311 119.070 -0.213 0.000 2.439 387 H HA 0.171 4.736 4.556 0.014 0.000 0.230 387 H C -1.893 173.269 175.328 -0.276 0.000 1.420 387 H CA -1.410 54.494 56.048 -0.240 0.000 1.305 387 H CB 0.330 29.877 29.762 -0.359 0.000 1.667 387 H HN -0.056 nan 8.280 nan 0.000 0.515 388 P HA -0.202 nan 4.420 nan 0.000 0.216 388 P C 0.638 177.795 177.300 -0.238 0.000 1.150 388 P CA 1.544 64.467 63.100 -0.295 0.000 0.843 388 P CB 0.381 32.004 31.700 -0.128 0.000 0.787 389 E N -1.894 118.236 120.200 -0.116 0.000 2.583 389 E HA 0.057 4.432 4.350 0.042 0.000 0.213 389 E C -0.166 176.398 176.600 -0.061 0.000 0.989 389 E CA -0.251 56.097 56.400 -0.087 0.000 0.991 389 E CB 0.013 29.688 29.700 -0.042 0.000 1.040 389 E HN 0.229 nan 8.360 nan 0.000 0.481 390 D N 1.822 122.198 120.400 -0.039 0.000 2.417 390 D HA -0.003 4.662 4.640 0.042 0.000 0.250 390 D C -1.662 174.624 176.300 -0.023 0.000 1.166 390 D CA -1.648 52.350 54.000 -0.003 0.000 0.881 390 D CB 1.274 42.116 40.800 0.070 0.000 1.164 390 D HN -0.160 nan 8.370 nan 0.000 0.467 391 P HA -0.085 nan 4.420 nan 0.000 0.217 391 P C 1.153 178.397 177.300 -0.094 0.000 1.151 391 P CA 0.962 64.010 63.100 -0.087 0.000 0.828 391 P CB 0.156 31.793 31.700 -0.106 0.000 0.788 392 T N -1.457 113.044 114.554 -0.088 0.000 2.720 392 T HA -0.201 4.175 4.350 0.042 0.000 0.268 392 T C 1.504 176.121 174.700 -0.139 0.000 1.037 392 T CA 1.730 63.756 62.100 -0.123 0.000 1.144 392 T CB -1.046 67.727 68.868 -0.157 0.000 0.864 392 T HN 0.292 nan 8.240 nan 0.000 0.444 393 H N 0.529 119.552 119.070 -0.078 0.000 2.299 393 H HA 0.146 4.721 4.556 0.031 0.000 0.302 393 H C 2.210 177.467 175.328 -0.118 0.000 1.078 393 H CA 1.104 57.106 56.048 -0.077 0.000 1.323 393 H CB -0.396 29.309 29.762 -0.095 0.000 1.381 393 H HN 0.167 nan 8.280 nan 0.000 0.498 394 L N 0.201 121.375 121.223 -0.081 0.000 2.079 394 L HA -0.206 4.159 4.340 0.042 0.000 0.210 394 L C 2.772 179.656 176.870 0.023 0.000 1.081 394 L CA 1.184 55.877 54.840 -0.245 0.000 0.752 394 L CB -0.321 41.581 42.059 -0.261 0.000 0.896 394 L HN 0.255 nan 8.230 nan 0.000 0.433 395 R N 0.557 121.086 120.500 0.048 0.000 2.070 395 R HA -0.188 4.178 4.340 0.042 0.000 0.232 395 R C 1.728 178.187 176.300 0.265 0.000 1.138 395 R CA 2.245 58.448 56.100 0.171 0.000 0.936 395 R CB -0.559 29.691 30.300 -0.084 0.000 0.839 395 R HN 0.329 nan 8.270 nan 0.000 0.429 396 D N 0.483 120.982 120.400 0.166 0.000 2.182 396 D HA -0.118 4.547 4.640 0.042 0.000 0.201 396 D C 1.685 178.118 176.300 0.222 0.000 0.986 396 D CA 1.396 55.516 54.000 0.199 0.000 0.847 396 D CB -0.180 40.691 40.800 0.120 0.000 0.942 396 D HN 0.411 nan 8.370 nan 0.000 0.467 397 A N 0.525 123.469 122.820 0.206 0.000 1.929 397 A HA -0.122 4.223 4.320 0.042 0.000 0.216 397 A C 2.116 179.892 177.584 0.320 0.000 1.176 397 A CA 1.230 53.430 52.037 0.272 0.000 0.628 397 A CB -0.390 18.700 19.000 0.151 0.000 0.816 397 A HN 0.120 nan 8.150 nan 0.000 0.444 398 M N 0.142 119.989 119.600 0.412 0.000 2.086 398 M HA -0.106 4.399 4.480 0.042 0.000 0.261 398 M C 2.325 178.690 176.300 0.108 0.000 1.067 398 M CA 2.190 57.676 55.300 0.310 0.000 1.116 398 M CB -0.687 32.142 32.600 0.382 0.000 1.348 398 M HN 0.419 nan 8.290 nan 0.000 0.407 399 S N -0.302 115.491 115.700 0.156 0.000 2.359 399 S HA -0.139 4.357 4.470 0.042 0.000 0.224 399 S C 2.056 176.731 174.600 0.125 0.000 1.035 399 S CA 1.812 60.106 58.200 0.155 0.000 1.018 399 S CB -0.671 62.688 63.200 0.265 0.000 0.876 399 S HN 0.625 nan 8.310 nan 0.000 0.448 400 A N 0.775 123.686 122.820 0.152 0.000 1.898 400 A HA 0.042 4.387 4.320 0.042 0.000 0.216 400 A C 2.387 179.987 177.584 0.027 0.000 1.181 400 A CA 1.631 53.770 52.037 0.170 0.000 0.620 400 A CB -1.123 18.071 19.000 0.324 0.000 0.819 400 A HN 0.459 nan 8.150 nan 0.000 0.442 401 V N -0.241 119.536 119.914 -0.227 0.000 2.252 401 V HA -0.289 3.856 4.120 0.042 0.000 0.249 401 V C 2.603 178.615 176.094 -0.135 0.000 1.056 401 V CA 2.324 64.420 62.300 -0.339 0.000 1.022 401 V CB -0.787 30.854 31.823 -0.304 0.000 0.641 401 V HN 0.393 nan 8.190 nan 0.000 0.445 402 V N 0.500 120.355 119.914 -0.099 0.000 2.358 402 V HA -0.149 3.996 4.120 0.042 0.000 0.246 402 V C 2.557 178.508 176.094 -0.239 0.000 1.047 402 V CA 2.132 64.354 62.300 -0.130 0.000 1.035 402 V CB -1.290 30.514 31.823 -0.031 0.000 0.658 402 V HN 0.625 nan 8.190 nan 0.000 0.452 403 G N -0.604 108.127 108.800 -0.115 0.000 2.403 403 G HA2 -0.187 3.799 3.960 0.042 0.000 0.216 403 G HA3 -0.187 3.799 3.960 0.042 0.000 0.216 403 G C 1.224 176.014 174.900 -0.185 0.000 1.154 403 G CA 0.805 45.835 45.100 -0.117 0.000 0.784 403 G HN 0.483 nan 8.290 nan 0.000 0.538 404 D N -0.026 120.290 120.400 -0.140 0.000 2.084 404 D HA -0.089 4.576 4.640 0.042 0.000 0.196 404 D C 2.102 178.052 176.300 -0.584 0.000 0.985 404 D CA 1.244 55.134 54.000 -0.184 0.000 0.826 404 D CB -0.501 40.378 40.800 0.132 0.000 0.978 404 D HN 0.394 nan 8.370 nan 0.000 0.456 405 H N 0.728 119.173 119.070 -1.042 0.000 2.387 405 H HA 0.012 4.593 4.556 0.042 0.000 0.299 405 H C 1.437 176.328 175.328 -0.729 0.000 1.090 405 H CA 1.685 56.901 56.048 -1.386 0.000 1.332 405 H CB 0.114 29.026 29.762 -1.417 0.000 1.386 405 H HN 0.017 nan 8.280 nan 0.000 0.516 406 N N -1.055 117.176 118.700 -0.781 0.000 2.454 406 N HA 0.028 4.793 4.740 0.042 0.000 0.177 406 N C 1.198 176.464 175.510 -0.407 0.000 1.049 406 N CA 1.011 53.583 53.050 -0.797 0.000 0.887 406 N CB 1.129 38.623 38.487 -1.656 0.000 1.095 406 N HN 0.255 nan 8.380 nan 0.000 0.446 407 V N -0.081 119.622 119.914 -0.351 0.000 3.134 407 V HA 0.058 4.203 4.120 0.042 0.000 0.222 407 V C 2.212 178.239 176.094 -0.111 0.000 1.247 407 V CA 0.278 62.501 62.300 -0.129 0.000 1.281 407 V CB -0.097 31.701 31.823 -0.041 0.000 1.169 407 V HN -0.162 nan 8.190 nan 0.000 0.512 408 V N 0.117 119.966 119.914 -0.109 0.000 2.261 408 V HA -0.289 3.856 4.120 0.042 0.000 0.246 408 V C 2.544 178.590 176.094 -0.079 0.000 1.047 408 V CA 2.570 64.829 62.300 -0.068 0.000 1.015 408 V CB -0.898 30.919 31.823 -0.009 0.000 0.642 408 V HN 0.650 nan 8.190 nan 0.000 0.446 409 c N -0.063 118.482 118.600 -0.091 0.000 2.446 409 c HA -0.019 4.576 4.570 0.042 0.000 0.277 409 c C 0.639 174.685 174.090 -0.074 0.000 1.275 409 c CA 1.060 57.365 56.329 -0.040 0.000 1.727 409 c CB -2.030 40.496 42.510 0.027 0.000 2.010 409 c HN 0.464 nan 8.230 nan 0.000 0.486 410 P HA -0.090 nan 4.420 nan 0.000 0.216 410 P C 1.764 178.993 177.300 -0.119 0.000 1.153 410 P CA 1.414 64.431 63.100 -0.138 0.000 0.858 410 P CB -0.229 31.359 31.700 -0.188 0.000 0.789 411 V N 0.113 119.957 119.914 -0.118 0.000 2.332 411 V HA -0.281 3.864 4.120 0.042 0.000 0.248 411 V C 2.481 178.470 176.094 -0.174 0.000 1.055 411 V CA 2.318 64.533 62.300 -0.142 0.000 1.038 411 V CB -1.684 30.049 31.823 -0.150 0.000 0.651 411 V HN 0.114 nan 8.190 nan 0.000 0.450 412 A N -0.486 122.250 122.820 -0.140 0.000 1.933 412 A HA -0.300 4.045 4.320 0.042 0.000 0.218 412 A C 2.183 179.731 177.584 -0.060 0.000 1.175 412 A CA 2.140 54.105 52.037 -0.119 0.000 0.628 412 A CB -0.506 18.478 19.000 -0.027 0.000 0.814 412 A HN 0.613 nan 8.150 nan 0.000 0.444 413 Q N -0.549 119.226 119.800 -0.041 0.000 2.020 413 Q HA -0.157 4.209 4.340 0.042 0.000 0.202 413 Q C 1.881 177.859 176.000 -0.036 0.000 0.982 413 Q CA 1.965 57.759 55.803 -0.016 0.000 0.838 413 Q CB -0.473 28.251 28.738 -0.023 0.000 0.899 413 Q HN 0.484 nan 8.270 nan 0.000 0.423 414 L N 0.240 121.413 121.223 -0.084 0.000 2.046 414 L HA -0.029 4.336 4.340 0.042 0.000 0.208 414 L C 2.202 179.004 176.870 -0.114 0.000 1.077 414 L CA 2.172 56.950 54.840 -0.104 0.000 0.747 414 L CB -0.985 40.994 42.059 -0.135 0.000 0.896 414 L HN 0.335 nan 8.230 nan 0.000 0.432 415 A N -0.525 122.190 122.820 -0.175 0.000 1.877 415 A HA -0.082 4.263 4.320 0.042 0.000 0.216 415 A C 2.362 179.951 177.584 0.010 0.000 1.186 415 A CA 1.599 53.486 52.037 -0.250 0.000 0.620 415 A CB -1.663 16.898 19.000 -0.732 0.000 0.822 415 A HN 0.521 nan 8.150 nan 0.000 0.443 416 G N -0.457 108.404 108.800 0.101 0.000 2.491 416 G HA2 -0.279 3.706 3.960 0.042 0.000 0.218 416 G HA3 -0.279 3.706 3.960 0.042 0.000 0.218 416 G C 1.707 176.687 174.900 0.132 0.000 1.180 416 G CA 1.076 46.302 45.100 0.210 0.000 0.774 416 G HN 0.406 nan 8.290 nan 0.000 0.562 417 R N 0.160 120.708 120.500 0.080 0.000 2.073 417 R HA 0.169 4.534 4.340 0.042 0.000 0.229 417 R C 2.750 179.132 176.300 0.137 0.000 1.120 417 R CA 0.448 56.609 56.100 0.102 0.000 0.967 417 R CB -1.241 29.116 30.300 0.095 0.000 0.862 417 R HN 0.415 nan 8.270 nan 0.000 0.436 418 L N 0.350 121.603 121.223 0.050 0.000 2.012 418 L HA -0.181 4.184 4.340 0.042 0.000 0.210 418 L C 2.541 179.479 176.870 0.113 0.000 1.073 418 L CA 1.696 56.543 54.840 0.011 0.000 0.748 418 L CB -0.717 41.238 42.059 -0.173 0.000 0.891 418 L HN 0.164 nan 8.230 nan 0.000 0.431 419 A N -0.188 122.697 122.820 0.108 0.000 1.930 419 A HA -0.076 4.269 4.320 0.042 0.000 0.217 419 A C 2.547 180.190 177.584 0.099 0.000 1.175 419 A CA 1.437 53.540 52.037 0.111 0.000 0.627 419 A CB -0.621 18.473 19.000 0.156 0.000 0.815 419 A HN 0.394 nan 8.150 nan 0.000 0.443 420 A N -0.738 122.147 122.820 0.108 0.000 1.940 420 A HA -0.188 4.158 4.320 0.042 0.000 0.219 420 A C 1.786 179.423 177.584 0.088 0.000 1.176 420 A CA 1.691 53.779 52.037 0.086 0.000 0.631 420 A CB -0.374 18.677 19.000 0.085 0.000 0.814 420 A HN 0.596 nan 8.150 nan 0.000 0.446 421 Q N -1.677 118.206 119.800 0.138 0.000 2.286 421 Q HA 0.415 4.780 4.340 0.042 0.000 0.281 421 Q C 0.837 176.925 176.000 0.147 0.000 0.897 421 Q CA 0.382 56.262 55.803 0.129 0.000 1.023 421 Q CB 0.309 29.135 28.738 0.146 0.000 1.151 421 Q HN 0.803 nan 8.270 nan 0.000 0.445 422 G N -0.277 108.592 108.800 0.115 0.000 2.234 422 G HA2 -0.316 3.669 3.960 0.042 0.000 0.235 422 G HA3 -0.316 3.669 3.960 0.042 0.000 0.235 422 G C 0.440 175.405 174.900 0.109 0.000 0.997 422 G CA -0.212 44.944 45.100 0.093 0.000 0.623 422 G HN 0.612 nan 8.290 nan 0.000 0.514 423 A N 0.296 123.210 122.820 0.156 0.000 2.448 423 A HA 0.601 4.946 4.320 0.042 0.000 0.239 423 A C 0.771 178.389 177.584 0.056 0.000 1.080 423 A CA 0.958 53.065 52.037 0.116 0.000 0.779 423 A CB 0.205 19.256 19.000 0.086 0.000 1.026 423 A HN 0.938 nan 8.150 nan 0.000 0.499 424 R N 1.382 121.908 120.500 0.044 0.000 2.207 424 R HA 0.522 4.887 4.340 0.042 0.000 0.334 424 R C -1.617 174.656 176.300 -0.045 0.000 1.013 424 R CA -0.249 55.840 56.100 -0.018 0.000 0.858 424 R CB 0.588 30.902 30.300 0.023 0.000 1.094 424 R HN 0.461 nan 8.270 nan 0.000 0.457 425 V N 5.684 125.501 119.914 -0.161 0.000 2.555 425 V HA 0.417 4.563 4.120 0.042 0.000 0.302 425 V C -1.138 174.758 176.094 -0.330 0.000 1.038 425 V CA -0.759 61.468 62.300 -0.122 0.000 0.887 425 V CB 1.595 33.420 31.823 0.004 0.000 0.991 425 V HN 0.666 nan 8.190 nan 0.000 0.434 426 Y N 2.213 122.460 120.300 -0.089 0.000 2.376 426 Y HA 0.779 5.354 4.550 0.042 0.000 0.340 426 Y C 0.333 176.248 175.900 0.025 0.000 0.965 426 Y CA -0.517 57.484 58.100 -0.165 0.000 1.078 426 Y CB 2.171 40.193 38.460 -0.730 0.000 1.193 426 Y HN 0.760 nan 8.280 nan 0.000 0.452 427 A N 3.312 126.462 122.820 0.551 0.000 2.380 427 A HA 0.875 5.220 4.320 0.042 0.000 0.315 427 A C -1.771 176.251 177.584 0.730 0.000 1.101 427 A CA -0.675 51.617 52.037 0.425 0.000 0.771 427 A CB 0.976 20.059 19.000 0.138 0.000 1.287 427 A HN 0.751 nan 8.150 nan 0.000 0.436 428 Y N -0.636 119.927 120.300 0.437 0.000 2.615 428 Y HA 0.796 5.371 4.550 0.041 0.000 0.341 428 Y C -1.165 174.906 175.900 0.285 0.000 1.089 428 Y CA -1.574 56.730 58.100 0.341 0.000 1.049 428 Y CB 1.283 39.937 38.460 0.323 0.000 1.296 428 Y HN 0.685 nan 8.280 nan 0.000 0.470 429 I N 2.997 123.879 120.570 0.520 0.000 2.465 429 I HA 0.485 4.680 4.170 0.042 0.000 0.291 429 I C -1.848 174.613 176.117 0.573 0.000 1.014 429 I CA -1.082 60.494 61.300 0.460 0.000 1.093 429 I CB 1.305 39.507 38.000 0.337 0.000 1.267 429 I HN 0.735 nan 8.210 nan 0.000 0.431 430 F N 7.072 127.306 119.950 0.473 0.000 2.404 430 F HA 0.421 4.974 4.527 0.042 0.000 0.354 430 F C 0.392 176.356 175.800 0.272 0.000 1.122 430 F CA -0.055 58.169 58.000 0.373 0.000 1.080 430 F CB 1.008 40.242 39.000 0.390 0.000 1.131 430 F HN 0.528 nan 8.300 nan 0.000 0.471 431 E N 3.064 123.230 120.200 -0.057 0.000 2.660 431 E HA -0.010 4.365 4.350 0.042 0.000 0.216 431 E C -0.846 175.720 176.600 -0.057 0.000 0.986 431 E CA -0.182 56.238 56.400 0.033 0.000 1.037 431 E CB 0.282 29.998 29.700 0.027 0.000 1.041 431 E HN 0.503 nan 8.360 nan 0.000 0.480 432 H N 1.642 120.477 119.070 -0.391 0.000 2.604 432 H HA 0.233 4.814 4.556 0.042 0.000 0.306 432 H C -0.447 174.934 175.328 0.089 0.000 1.075 432 H CA -0.462 55.411 56.048 -0.292 0.000 1.357 432 H CB 0.487 29.869 29.762 -0.634 0.000 1.426 432 H HN -0.153 nan 8.280 nan 0.000 0.470 433 R N 4.222 124.445 120.500 -0.461 0.000 2.210 433 R HA 0.418 4.784 4.340 0.042 0.000 0.338 433 R C -0.459 175.558 176.300 -0.472 0.000 1.062 433 R CA -0.514 55.427 56.100 -0.264 0.000 0.902 433 R CB 0.145 30.388 30.300 -0.094 0.000 1.050 433 R HN 0.847 nan 8.270 nan 0.000 0.461 434 A N 3.177 125.991 122.820 -0.010 0.000 2.567 434 A HA -0.039 4.307 4.320 0.042 0.000 0.240 434 A C 1.412 179.115 177.584 0.198 0.000 1.053 434 A CA 0.634 52.899 52.037 0.380 0.000 0.755 434 A CB 0.263 19.631 19.000 0.612 0.000 0.978 434 A HN 1.014 nan 8.150 nan 0.000 0.507 435 S N 1.842 117.705 115.700 0.272 0.000 2.399 435 S HA -0.178 4.317 4.470 0.042 0.000 0.231 435 S C 1.435 176.062 174.600 0.045 0.000 1.022 435 S CA 1.674 59.961 58.200 0.145 0.000 0.983 435 S CB -0.986 62.323 63.200 0.181 0.000 0.803 435 S HN 1.312 nan 8.310 nan 0.000 0.480 436 T N -0.415 114.137 114.554 -0.002 0.000 3.252 436 T HA 0.311 4.686 4.350 0.042 0.000 0.250 436 T C 0.279 174.929 174.700 -0.084 0.000 1.123 436 T CA -0.417 61.612 62.100 -0.118 0.000 1.006 436 T CB -0.595 68.076 68.868 -0.328 0.000 0.992 436 T HN 0.263 nan 8.240 nan 0.000 0.547 437 L N 3.712 124.918 121.223 -0.029 0.000 2.361 437 L HA 0.348 4.713 4.340 0.042 0.000 0.278 437 L C 1.530 178.359 176.870 -0.069 0.000 1.113 437 L CA 0.325 55.133 54.840 -0.053 0.000 0.849 437 L CB 0.926 42.957 42.059 -0.048 0.000 1.155 437 L HN 0.369 nan 8.230 nan 0.000 0.452 438 T N 0.788 115.253 114.554 -0.149 0.000 3.129 438 T HA 0.058 4.434 4.350 0.042 0.000 0.251 438 T C 0.408 175.083 174.700 -0.043 0.000 1.117 438 T CA -0.346 61.664 62.100 -0.150 0.000 1.034 438 T CB -0.355 68.311 68.868 -0.335 0.000 0.968 438 T HN 0.458 nan 8.240 nan 0.000 0.526 439 W N 2.988 124.273 121.300 -0.025 0.000 2.215 439 W HA 0.463 5.148 4.660 0.042 0.000 0.342 439 W C -1.971 174.447 176.519 -0.168 0.000 1.237 439 W CA -2.399 54.905 57.345 -0.070 0.000 1.283 439 W CB 0.243 29.577 29.460 -0.210 0.000 1.131 439 W HN -0.038 nan 8.180 nan 0.000 0.606 440 P HA 0.035 nan 4.420 nan 0.000 0.272 440 P C 0.491 177.701 177.300 -0.150 0.000 1.240 440 P CA 0.002 63.065 63.100 -0.062 0.000 0.791 440 P CB 0.950 32.634 31.700 -0.027 0.000 0.978 441 L N 0.168 121.378 121.223 -0.021 0.000 2.083 441 L HA -0.112 4.254 4.340 0.042 0.000 0.209 441 L C 2.545 179.431 176.870 0.027 0.000 1.083 441 L CA 1.320 56.167 54.840 0.011 0.000 0.752 441 L CB -0.894 41.206 42.059 0.068 0.000 0.899 441 L HN 0.605 nan 8.230 nan 0.000 0.433 442 W N -0.578 120.761 121.300 0.066 0.000 2.538 442 W HA -0.129 4.556 4.660 0.040 0.000 0.254 442 W C 1.551 178.126 176.519 0.093 0.000 1.249 442 W CA 0.435 57.823 57.345 0.072 0.000 1.253 442 W CB -0.687 28.818 29.460 0.074 0.000 1.130 442 W HN 0.214 nan 8.180 nan 0.000 0.618 443 M N 1.152 120.390 119.600 -0.603 0.000 2.556 443 M HA 0.162 4.668 4.480 0.042 0.000 0.245 443 M C 1.838 178.036 176.300 -0.170 0.000 1.128 443 M CA 1.115 56.052 55.300 -0.605 0.000 1.069 443 M CB -0.395 31.680 32.600 -0.875 0.000 1.469 443 M HN 0.142 nan 8.290 nan 0.000 0.494 444 G N 1.008 109.766 108.800 -0.070 0.000 2.622 444 G HA2 -0.301 3.684 3.960 0.042 0.000 0.307 444 G HA3 -0.301 3.684 3.960 0.042 0.000 0.307 444 G C -0.053 174.865 174.900 0.030 0.000 1.226 444 G CA -0.019 45.094 45.100 0.022 0.000 0.997 444 G HN 0.243 nan 8.290 nan 0.000 0.551 445 V N 3.987 123.965 119.914 0.107 0.000 2.304 445 V HA 0.438 4.584 4.120 0.042 0.000 0.262 445 V C -1.706 174.518 176.094 0.217 0.000 1.061 445 V CA -0.728 61.683 62.300 0.186 0.000 0.872 445 V CB 1.005 32.999 31.823 0.286 0.000 1.077 445 V HN 0.513 nan 8.190 nan 0.000 0.480 446 P HA 0.175 nan 4.420 nan 0.000 0.276 446 P C -0.405 177.142 177.300 0.412 0.000 1.252 446 P CA -0.308 62.942 63.100 0.249 0.000 0.802 446 P CB 0.431 32.194 31.700 0.105 0.000 1.035 447 H N 0.650 119.847 119.070 0.211 0.000 2.732 447 H HA 0.289 4.870 4.556 0.042 0.000 0.351 447 H C 1.092 176.392 175.328 -0.048 0.000 1.090 447 H CA 0.842 56.966 56.048 0.126 0.000 1.431 447 H CB -0.163 29.700 29.762 0.168 0.000 1.447 447 H HN 0.782 nan 8.280 nan 0.000 0.582 448 G N 3.481 111.939 108.800 -0.570 0.000 2.254 448 G HA2 -0.297 3.688 3.960 0.042 0.000 0.225 448 G HA3 -0.297 3.688 3.960 0.042 0.000 0.225 448 G C 0.341 175.061 174.900 -0.301 0.000 1.003 448 G CA 0.275 45.008 45.100 -0.611 0.000 0.622 448 G HN 0.612 nan 8.290 nan 0.000 0.507 449 Y N 1.954 122.316 120.300 0.102 0.000 2.496 449 Y HA 0.288 4.864 4.550 0.043 0.000 0.313 449 Y C 2.229 178.205 175.900 0.128 0.000 1.184 449 Y CA 0.889 59.110 58.100 0.202 0.000 1.275 449 Y CB 0.365 38.995 38.460 0.283 0.000 1.103 449 Y HN 0.525 nan 8.280 nan 0.000 0.513 450 E N -0.186 119.939 120.200 -0.126 0.000 2.389 450 E HA -0.025 4.350 4.350 0.042 0.000 0.199 450 E C 1.590 178.095 176.600 -0.157 0.000 0.978 450 E CA 0.503 56.544 56.400 -0.599 0.000 0.912 450 E CB -0.411 28.560 29.700 -1.215 0.000 0.907 450 E HN 0.528 nan 8.360 nan 0.000 0.494 451 I N 3.107 123.653 120.570 -0.040 0.000 2.151 451 I HA -0.315 3.880 4.170 0.042 0.000 0.243 451 I C 2.740 178.868 176.117 0.019 0.000 1.080 451 I CA 2.249 63.576 61.300 0.045 0.000 1.339 451 I CB -0.563 37.512 38.000 0.125 0.000 1.039 451 I HN 0.219 nan 8.210 nan 0.000 0.409 452 E N 1.067 121.207 120.200 -0.098 0.000 2.267 452 E HA -0.227 4.148 4.350 0.042 0.000 0.197 452 E C 1.952 178.301 176.600 -0.417 0.000 0.998 452 E CA 1.410 57.650 56.400 -0.267 0.000 0.830 452 E CB -0.415 29.091 29.700 -0.323 0.000 0.751 452 E HN 0.461 nan 8.360 nan 0.000 0.491 453 F N 1.421 121.255 119.950 -0.193 0.000 2.147 453 F HA -0.007 4.546 4.527 0.043 0.000 0.291 453 F C 2.388 177.963 175.800 -0.375 0.000 1.093 453 F CA 0.430 58.253 58.000 -0.294 0.000 1.263 453 F CB -0.250 38.622 39.000 -0.213 0.000 1.036 453 F HN -0.069 nan 8.300 nan 0.000 0.481 454 I N -0.473 119.944 120.570 -0.256 0.000 2.236 454 I HA -0.324 3.871 4.170 0.042 0.000 0.249 454 I C 2.198 178.064 176.117 -0.418 0.000 1.102 454 I CA 1.793 62.769 61.300 -0.541 0.000 1.365 454 I CB -1.656 35.850 38.000 -0.824 0.000 1.051 454 I HN 0.102 nan 8.210 nan 0.000 0.420 455 F N 0.801 120.587 119.950 -0.274 0.000 2.558 455 F HA 0.192 4.744 4.527 0.042 0.000 0.298 455 F C 1.926 177.642 175.800 -0.141 0.000 1.119 455 F CA 1.011 58.900 58.000 -0.185 0.000 1.451 455 F CB -0.186 38.687 39.000 -0.212 0.000 1.091 455 F HN 0.305 nan 8.300 nan 0.000 0.563 456 G N -0.136 108.545 108.800 -0.199 0.000 2.140 456 G HA2 -0.257 3.729 3.960 0.042 0.000 0.211 456 G HA3 -0.257 3.729 3.960 0.042 0.000 0.211 456 G C 0.849 175.150 174.900 -0.998 0.000 1.013 456 G CA 0.177 45.003 45.100 -0.456 0.000 0.705 456 G HN 0.258 nan 8.290 nan 0.000 0.508 457 L N 0.381 121.151 121.223 -0.755 0.000 2.141 457 L HA 0.123 4.488 4.340 0.042 0.000 0.209 457 L C 0.183 176.630 176.870 -0.706 0.000 1.094 457 L CA 2.412 56.811 54.840 -0.735 0.000 0.763 457 L CB -0.750 41.098 42.059 -0.351 0.000 0.908 457 L HN 0.178 nan 8.230 nan 0.000 0.437 458 P HA -0.115 nan 4.420 nan 0.000 0.231 458 P C 1.371 178.467 177.300 -0.339 0.000 1.158 458 P CA 0.771 63.431 63.100 -0.733 0.000 0.763 458 P CB 0.072 31.270 31.700 -0.837 0.000 0.805 459 L N -1.287 119.641 121.223 -0.493 0.000 2.552 459 L HA 0.028 4.393 4.340 0.042 0.000 0.227 459 L C 0.873 177.641 176.870 -0.171 0.000 1.146 459 L CA 1.086 55.734 54.840 -0.320 0.000 0.858 459 L CB -0.909 40.939 42.059 -0.352 0.000 0.969 459 L HN -0.073 nan 8.230 nan 0.000 0.451 460 D N -0.193 120.098 120.400 -0.182 0.000 2.365 460 D HA 0.120 4.785 4.640 0.042 0.000 0.237 460 D C -1.642 174.679 176.300 0.035 0.000 1.190 460 D CA -1.955 52.056 54.000 0.019 0.000 0.867 460 D CB 1.659 42.512 40.800 0.088 0.000 1.050 460 D HN -0.020 nan 8.370 nan 0.000 0.491 461 P HA -0.132 nan 4.420 nan 0.000 0.220 461 P C 1.342 178.654 177.300 0.022 0.000 1.148 461 P CA 0.838 63.956 63.100 0.030 0.000 0.803 461 P CB 0.116 31.830 31.700 0.024 0.000 0.782 462 S N -1.000 114.711 115.700 0.018 0.000 2.500 462 S HA -0.078 4.418 4.470 0.042 0.000 0.239 462 S C 1.634 176.217 174.600 -0.027 0.000 0.989 462 S CA 0.825 59.023 58.200 -0.004 0.000 0.951 462 S CB -1.420 61.779 63.200 -0.001 0.000 0.759 462 S HN 0.118 nan 8.310 nan 0.000 0.523 463 L N 0.697 121.912 121.223 -0.013 0.000 2.558 463 L HA 0.215 4.580 4.340 0.042 0.000 0.225 463 L C 0.172 176.913 176.870 -0.214 0.000 1.128 463 L CA -0.097 54.690 54.840 -0.088 0.000 0.868 463 L CB -0.578 41.483 42.059 0.004 0.000 1.006 463 L HN 0.228 nan 8.230 nan 0.000 0.454 464 N N -1.293 117.348 118.700 -0.098 0.000 2.747 464 N HA -0.233 4.532 4.740 0.042 0.000 0.249 464 N C -0.658 174.779 175.510 -0.122 0.000 1.107 464 N CA 0.811 53.800 53.050 -0.102 0.000 0.707 464 N CB -1.875 36.536 38.487 -0.127 0.000 1.054 464 N HN 0.272 nan 8.380 nan 0.000 0.555 465 Y N 0.844 121.134 120.300 -0.017 0.000 2.304 465 Y HA 0.215 4.790 4.550 0.041 0.000 0.327 465 Y C 1.942 177.869 175.900 0.044 0.000 1.209 465 Y CA -0.042 58.073 58.100 0.025 0.000 1.299 465 Y CB 0.593 39.056 38.460 0.006 0.000 1.249 465 Y HN 0.107 nan 8.280 nan 0.000 0.519 466 T N -2.428 112.277 114.554 0.252 0.000 2.734 466 T HA -0.050 4.325 4.350 0.042 0.000 0.314 466 T C 1.239 176.017 174.700 0.131 0.000 1.057 466 T CA -0.027 62.166 62.100 0.155 0.000 1.047 466 T CB 0.749 69.702 68.868 0.140 0.000 0.991 466 T HN 0.767 nan 8.240 nan 0.000 0.540 467 T N -0.054 114.548 114.554 0.080 0.000 2.951 467 T HA -0.007 4.368 4.350 0.042 0.000 0.268 467 T C 1.681 176.411 174.700 0.049 0.000 1.073 467 T CA 1.284 63.417 62.100 0.056 0.000 1.134 467 T CB -0.475 68.413 68.868 0.034 0.000 0.884 467 T HN 0.757 nan 8.240 nan 0.000 0.479 468 E N 0.982 121.209 120.200 0.045 0.000 2.107 468 E HA -0.048 4.328 4.350 0.042 0.000 0.191 468 E C 2.198 178.825 176.600 0.044 0.000 0.982 468 E CA 0.963 57.370 56.400 0.012 0.000 0.809 468 E CB -0.065 29.614 29.700 -0.036 0.000 0.756 468 E HN 0.563 nan 8.360 nan 0.000 0.459 469 E N 0.457 120.727 120.200 0.116 0.000 2.110 469 E HA -0.160 4.216 4.350 0.042 0.000 0.193 469 E C 2.096 178.814 176.600 0.196 0.000 0.988 469 E CA 0.468 57.021 56.400 0.255 0.000 0.804 469 E CB 0.020 29.987 29.700 0.446 0.000 0.745 469 E HN 0.040 nan 8.360 nan 0.000 0.458 470 R N 1.059 121.614 120.500 0.092 0.000 2.081 470 R HA -0.118 4.247 4.340 0.042 0.000 0.235 470 R C 2.092 178.398 176.300 0.009 0.000 1.131 470 R CA 1.076 57.179 56.100 0.005 0.000 0.960 470 R CB -0.272 30.028 30.300 -0.001 0.000 0.856 470 R HN 0.228 nan 8.270 nan 0.000 0.436 471 I N 0.302 120.896 120.570 0.041 0.000 2.353 471 I HA -0.247 3.948 4.170 0.042 0.000 0.248 471 I C 2.246 178.402 176.117 0.065 0.000 1.119 471 I CA 0.705 62.023 61.300 0.030 0.000 1.417 471 I CB -0.382 37.631 38.000 0.022 0.000 1.078 471 I HN 0.078 nan 8.210 nan 0.000 0.421 472 F N 2.231 122.129 119.950 -0.086 0.000 2.069 472 F HA -0.242 4.311 4.527 0.044 0.000 0.298 472 F C 2.490 178.257 175.800 -0.055 0.000 1.113 472 F CA 1.397 59.328 58.000 -0.114 0.000 1.214 472 F CB -0.762 38.104 39.000 -0.223 0.000 0.978 472 F HN 0.019 nan 8.300 nan 0.000 0.474 473 A N 0.005 122.761 122.820 -0.107 0.000 1.940 473 A HA -0.246 4.099 4.320 0.042 0.000 0.219 473 A C 2.180 179.646 177.584 -0.198 0.000 1.176 473 A CA 1.844 53.765 52.037 -0.194 0.000 0.631 473 A CB -0.896 18.018 19.000 -0.143 0.000 0.814 473 A HN 0.632 nan 8.150 nan 0.000 0.446 474 Q N -0.918 118.802 119.800 -0.132 0.000 2.124 474 Q HA -0.158 4.207 4.340 0.042 0.000 0.202 474 Q C 2.383 178.289 176.000 -0.157 0.000 0.977 474 Q CA 1.375 57.107 55.803 -0.119 0.000 0.850 474 Q CB -0.154 28.539 28.738 -0.075 0.000 0.901 474 Q HN 0.639 nan 8.270 nan 0.000 0.429 475 R N 0.273 120.665 120.500 -0.180 0.000 2.073 475 R HA -0.106 4.259 4.340 0.042 0.000 0.234 475 R C 2.335 178.370 176.300 -0.441 0.000 1.134 475 R CA 1.140 57.048 56.100 -0.320 0.000 0.952 475 R CB -0.283 29.901 30.300 -0.194 0.000 0.850 475 R HN 0.223 nan 8.270 nan 0.000 0.433 476 L N 0.021 121.081 121.223 -0.271 0.000 2.093 476 L HA -0.161 4.205 4.340 0.042 0.000 0.208 476 L C 2.516 179.378 176.870 -0.013 0.000 1.085 476 L CA 1.241 56.031 54.840 -0.083 0.000 0.755 476 L CB -0.323 41.545 42.059 -0.318 0.000 0.904 476 L HN 0.228 nan 8.230 nan 0.000 0.435 477 M N -0.822 118.700 119.600 -0.131 0.000 2.159 477 M HA -0.192 4.313 4.480 0.042 0.000 0.263 477 M C 2.353 178.664 176.300 0.017 0.000 1.063 477 M CA 1.536 56.789 55.300 -0.078 0.000 1.110 477 M CB -0.286 32.251 32.600 -0.106 0.000 1.374 477 M HN 0.072 nan 8.290 nan 0.000 0.411 478 K N -0.118 120.254 120.400 -0.047 0.000 2.026 478 K HA -0.152 4.193 4.320 0.042 0.000 0.208 478 K C 1.925 178.594 176.600 0.115 0.000 1.048 478 K CA 1.733 58.004 56.287 -0.027 0.000 0.929 478 K CB -0.342 32.076 32.500 -0.136 0.000 0.713 478 K HN 0.298 nan 8.250 nan 0.000 0.439 479 Y N -0.105 120.332 120.300 0.229 0.000 2.097 479 Y HA -0.249 4.326 4.550 0.042 0.000 0.282 479 Y C 2.466 178.490 175.900 0.206 0.000 1.152 479 Y CA 0.869 59.126 58.100 0.261 0.000 1.136 479 Y CB -0.968 37.770 38.460 0.463 0.000 0.975 479 Y HN 0.232 nan 8.280 nan 0.000 0.498 480 W N 0.740 122.136 121.300 0.159 0.000 2.333 480 W HA -0.256 4.429 4.660 0.041 0.000 0.316 480 W C 2.480 179.012 176.519 0.020 0.000 1.215 480 W CA 2.491 59.859 57.345 0.038 0.000 1.278 480 W CB -0.831 28.576 29.460 -0.089 0.000 1.154 480 W HN 0.233 nan 8.180 nan 0.000 0.486 481 T N -1.763 112.905 114.554 0.190 0.000 2.904 481 T HA -0.149 4.226 4.350 0.042 0.000 0.267 481 T C 1.435 176.171 174.700 0.061 0.000 1.059 481 T CA 1.167 63.312 62.100 0.076 0.000 1.137 481 T CB -0.646 68.247 68.868 0.041 0.000 0.879 481 T HN -0.023 nan 8.240 nan 0.000 0.467 482 N N 0.965 119.719 118.700 0.090 0.000 2.120 482 N HA -0.013 4.752 4.740 0.042 0.000 0.188 482 N C 1.415 176.933 175.510 0.012 0.000 1.024 482 N CA 0.953 54.035 53.050 0.053 0.000 0.852 482 N CB -0.590 37.949 38.487 0.087 0.000 1.003 482 N HN 0.472 nan 8.380 nan 0.000 0.424 483 F N 1.605 121.481 119.950 -0.123 0.000 2.216 483 F HA -0.044 4.509 4.527 0.043 0.000 0.300 483 F C 2.136 177.863 175.800 -0.123 0.000 1.085 483 F CA 1.129 59.004 58.000 -0.208 0.000 1.326 483 F CB -0.179 38.609 39.000 -0.354 0.000 1.027 483 F HN 0.014 nan 8.300 nan 0.000 0.497 484 A N 0.384 123.158 122.820 -0.077 0.000 1.929 484 A HA -0.103 4.242 4.320 0.042 0.000 0.216 484 A C 2.329 179.828 177.584 -0.142 0.000 1.176 484 A CA 1.298 53.268 52.037 -0.111 0.000 0.628 484 A CB -0.610 18.384 19.000 -0.011 0.000 0.816 484 A HN 0.408 nan 8.150 nan 0.000 0.444 485 R N -0.942 119.496 120.500 -0.104 0.000 2.092 485 R HA -0.082 4.283 4.340 0.042 0.000 0.231 485 R C 1.705 177.926 176.300 -0.131 0.000 1.119 485 R CA 1.863 57.911 56.100 -0.087 0.000 0.970 485 R CB -0.111 30.160 30.300 -0.048 0.000 0.864 485 R HN 0.717 nan 8.270 nan 0.000 0.440 486 T N -6.299 108.143 114.554 -0.188 0.000 3.080 486 T HA 0.256 4.631 4.350 0.042 0.000 0.280 486 T C 1.126 175.682 174.700 -0.240 0.000 0.926 486 T CA 0.323 62.320 62.100 -0.171 0.000 0.883 486 T CB 1.397 70.204 68.868 -0.102 0.000 1.194 486 T HN 0.310 nan 8.240 nan 0.000 0.541 487 G N 1.355 109.866 108.800 -0.481 0.000 2.179 487 G HA2 -0.197 3.788 3.960 0.042 0.000 0.260 487 G HA3 -0.197 3.788 3.960 0.042 0.000 0.260 487 G C -0.301 174.437 174.900 -0.270 0.000 0.977 487 G CA 0.248 44.987 45.100 -0.602 0.000 0.641 487 G HN 0.772 nan 8.290 nan 0.000 0.533 488 D N -0.012 120.261 120.400 -0.210 0.000 2.593 488 D HA 0.486 5.151 4.640 0.042 0.000 0.251 488 D C -1.324 174.815 176.300 -0.268 0.000 1.140 488 D CA -1.810 52.050 54.000 -0.235 0.000 0.855 488 D CB 2.206 42.966 40.800 -0.067 0.000 1.267 488 D HN 0.035 nan 8.370 nan 0.000 0.532 489 P HA -0.040 nan 4.420 nan 0.000 0.230 489 P C 0.012 177.337 177.300 0.042 0.000 1.158 489 P CA 0.180 63.123 63.100 -0.262 0.000 0.769 489 P CB 0.362 31.634 31.700 -0.713 0.000 0.807 490 N N 1.570 120.266 118.700 -0.005 0.000 2.530 490 N HA 0.024 4.790 4.740 0.042 0.000 0.273 490 N C 0.028 175.618 175.510 0.133 0.000 1.173 490 N CA 0.089 53.228 53.050 0.148 0.000 0.967 490 N CB 0.435 38.996 38.487 0.124 0.000 1.109 490 N HN -0.042 nan 8.380 nan 0.000 0.453 491 D N 2.444 122.943 120.400 0.166 0.000 2.368 491 D HA 0.030 4.695 4.640 0.042 0.000 0.268 491 D C -1.342 175.004 176.300 0.076 0.000 1.298 491 D CA -1.180 52.882 54.000 0.104 0.000 0.938 491 D CB 0.803 41.660 40.800 0.094 0.000 1.101 491 D HN 0.330 nan 8.370 nan 0.000 0.509 492 P HA 0.030 nan 4.420 nan 0.000 0.249 492 P C -0.063 177.259 177.300 0.036 0.000 1.229 492 P CA 0.281 63.406 63.100 0.041 0.000 0.788 492 P CB 0.290 32.005 31.700 0.026 0.000 1.072 493 R N 0.601 121.123 120.500 0.038 0.000 2.713 493 R HA 0.596 4.961 4.340 0.042 0.000 0.282 493 R C -1.482 174.840 176.300 0.038 0.000 1.472 493 R CA -0.412 55.708 56.100 0.033 0.000 1.060 493 R CB -0.851 29.464 30.300 0.025 0.000 1.237 493 R HN 0.110 nan 8.270 nan 0.000 0.484 494 D N 0.471 120.897 120.400 0.043 0.000 2.390 494 D HA 0.032 4.698 4.640 0.042 0.000 0.121 494 D C -0.039 176.294 176.300 0.055 0.000 0.990 494 D CA 0.379 54.408 54.000 0.048 0.000 1.316 494 D CB 1.111 41.944 40.800 0.055 0.000 3.093 494 D HN 0.410 nan 8.370 nan 0.000 0.702 495 S N 2.632 118.360 115.700 0.047 0.000 2.136 495 S HA 0.242 4.737 4.470 0.042 0.000 0.205 495 S C -0.156 174.476 174.600 0.053 0.000 1.346 495 S CA 0.433 58.663 58.200 0.049 0.000 1.084 495 S CB 0.121 63.345 63.200 0.039 0.000 0.767 495 S HN 0.547 nan 8.310 nan 0.000 0.423 496 K N 0.568 120.996 120.400 0.046 0.000 4.075 496 K HA -0.130 4.216 4.320 0.042 0.000 0.278 496 K C 0.225 176.859 176.600 0.056 0.000 0.862 496 K CA 0.227 56.541 56.287 0.044 0.000 0.762 496 K CB -1.563 30.958 32.500 0.035 0.000 1.660 496 K HN 0.383 nan 8.250 nan 0.000 0.437 497 S N 0.203 115.942 115.700 0.064 0.000 3.096 497 S HA 0.283 4.779 4.470 0.042 0.000 0.169 497 S C -1.643 173.005 174.600 0.080 0.000 0.736 497 S CA -0.352 57.901 58.200 0.088 0.000 0.976 497 S CB -0.178 63.083 63.200 0.102 0.000 0.705 497 S HN 0.463 nan 8.310 nan 0.000 0.666 498 P HA 0.307 nan 4.420 nan 0.000 0.277 498 P C -0.993 176.370 177.300 0.105 0.000 1.276 498 P CA -0.270 62.872 63.100 0.070 0.000 0.788 498 P CB 0.292 32.018 31.700 0.043 0.000 1.114 499 Q N -0.944 118.926 119.800 0.117 0.000 2.230 499 Q HA 0.148 4.513 4.340 0.042 0.000 0.248 499 Q C -0.643 175.498 176.000 0.236 0.000 0.915 499 Q CA -0.153 55.755 55.803 0.174 0.000 0.900 499 Q CB 0.962 29.795 28.738 0.158 0.000 1.229 499 Q HN 0.532 nan 8.270 nan 0.000 0.439 500 W N 5.741 127.085 121.300 0.074 0.000 2.481 500 W HA 0.268 4.954 4.660 0.044 0.000 0.320 500 W C -2.427 174.219 176.519 0.211 0.000 1.209 500 W CA -2.373 55.027 57.345 0.092 0.000 1.400 500 W CB 0.090 29.543 29.460 -0.012 0.000 1.361 500 W HN 0.370 nan 8.180 nan 0.000 0.456 501 P HA 0.237 nan 4.420 nan 0.000 0.278 501 P C -2.550 174.953 177.300 0.338 0.000 1.238 501 P CA -1.683 61.633 63.100 0.360 0.000 0.794 501 P CB 0.322 32.153 31.700 0.217 0.000 0.955 502 P HA -0.009 nan 4.420 nan 0.000 0.265 502 P C -0.529 176.745 177.300 -0.043 0.000 1.193 502 P CA 0.210 63.115 63.100 -0.325 0.000 0.765 502 P CB -0.031 31.473 31.700 -0.326 0.000 0.823 503 Y N 3.670 123.902 120.300 -0.113 0.000 2.620 503 Y HA 0.217 4.791 4.550 0.041 0.000 0.330 503 Y C 0.718 176.599 175.900 -0.032 0.000 1.186 503 Y CA 1.052 59.156 58.100 0.006 0.000 1.467 503 Y CB 0.215 38.697 38.460 0.037 0.000 1.262 503 Y HN 0.414 nan 8.280 nan 0.000 0.550 504 T N 0.115 114.379 114.554 -0.484 0.000 2.883 504 T HA 0.235 4.610 4.350 0.042 0.000 0.296 504 T C 0.766 175.208 174.700 -0.429 0.000 1.117 504 T CA -0.236 61.691 62.100 -0.289 0.000 1.006 504 T CB 1.287 70.057 68.868 -0.163 0.000 1.191 504 T HN 0.640 nan 8.240 nan 0.000 0.508 505 T N -0.784 113.675 114.554 -0.159 0.000 2.904 505 T HA 0.098 4.473 4.350 0.042 0.000 0.267 505 T C 2.143 176.790 174.700 -0.088 0.000 1.059 505 T CA 1.123 63.172 62.100 -0.085 0.000 1.137 505 T CB -0.807 68.071 68.868 0.016 0.000 0.879 505 T HN 0.876 nan 8.240 nan 0.000 0.467 506 A N 2.184 124.955 122.820 -0.082 0.000 1.824 506 A HA 0.386 4.731 4.320 0.042 0.000 0.215 506 A C 2.868 180.408 177.584 -0.073 0.000 1.209 506 A CA 2.005 54.009 52.037 -0.056 0.000 0.614 506 A CB -1.587 17.388 19.000 -0.041 0.000 0.852 506 A HN 0.808 nan 8.150 nan 0.000 0.447 507 A N -2.536 120.223 122.820 -0.101 0.000 1.929 507 A HA 0.031 4.376 4.320 0.042 0.000 0.216 507 A C 1.248 178.762 177.584 -0.117 0.000 1.176 507 A CA 1.531 53.517 52.037 -0.085 0.000 0.628 507 A CB -0.447 18.511 19.000 -0.070 0.000 0.816 507 A HN 0.672 nan 8.150 nan 0.000 0.444 508 Q N -1.070 118.550 119.800 -0.300 0.000 2.487 508 Q HA -0.194 4.171 4.340 0.042 0.000 0.279 508 Q C -0.691 175.296 176.000 -0.021 0.000 1.228 508 Q CA 0.722 56.294 55.803 -0.385 0.000 0.873 508 Q CB -1.557 27.155 28.738 -0.042 0.000 1.260 508 Q HN 0.858 nan 8.270 nan 0.000 0.471 509 Q N 0.382 120.155 119.800 -0.045 0.000 2.288 509 Q HA 0.468 4.833 4.340 0.042 0.000 0.254 509 Q C -0.400 175.862 176.000 0.437 0.000 0.932 509 Q CA 0.016 55.911 55.803 0.154 0.000 0.902 509 Q CB 0.673 29.456 28.738 0.075 0.000 1.203 509 Q HN 0.332 nan 8.270 nan 0.000 0.415 510 Y N -1.518 118.930 120.300 0.246 0.000 2.655 510 Y HA 0.728 5.302 4.550 0.041 0.000 0.336 510 Y C -1.107 174.834 175.900 0.069 0.000 1.154 510 Y CA -1.518 56.746 58.100 0.274 0.000 1.055 510 Y CB 0.648 39.273 38.460 0.275 0.000 1.295 510 Y HN 0.337 nan 8.280 nan 0.000 0.465 511 V N -0.258 119.645 119.914 -0.018 0.000 2.715 511 V HA 0.808 4.953 4.120 0.042 0.000 0.310 511 V C -0.251 175.778 176.094 -0.109 0.000 1.054 511 V CA -0.556 61.543 62.300 -0.334 0.000 0.928 511 V CB 1.259 32.556 31.823 -0.876 0.000 1.007 511 V HN 1.182 nan 8.190 nan 0.000 0.437 512 S N 4.453 120.082 115.700 -0.119 0.000 2.489 512 S HA 0.654 5.150 4.470 0.042 0.000 0.277 512 S C -0.396 174.168 174.600 -0.060 0.000 1.230 512 S CA -0.635 57.565 58.200 -0.001 0.000 1.053 512 S CB 0.398 63.588 63.200 -0.017 0.000 0.955 512 S HN 0.761 nan 8.310 nan 0.000 0.488 513 L N 4.466 125.701 121.223 0.020 0.000 2.255 513 L HA 0.500 4.866 4.340 0.042 0.000 0.289 513 L C 0.049 176.823 176.870 -0.160 0.000 1.046 513 L CA -0.398 54.459 54.840 0.027 0.000 0.816 513 L CB -0.151 42.009 42.059 0.168 0.000 1.197 513 L HN 0.945 nan 8.230 nan 0.000 0.427 514 N N 2.368 120.900 118.700 -0.281 0.000 3.526 514 N HA 0.306 5.071 4.740 0.042 0.000 0.328 514 N C 0.128 175.078 175.510 -0.934 0.000 1.601 514 N CA -0.895 51.722 53.050 -0.721 0.000 0.834 514 N CB 0.570 38.816 38.487 -0.403 0.000 1.983 514 N HN 0.177 nan 8.380 nan 0.000 0.579 515 L N -0.450 120.277 121.223 -0.826 0.000 2.109 515 L HA 0.146 4.512 4.340 0.042 0.000 0.207 515 L C 0.651 177.325 176.870 -0.327 0.000 1.086 515 L CA 0.916 55.361 54.840 -0.659 0.000 0.760 515 L CB -0.419 41.336 42.059 -0.508 0.000 0.910 515 L HN 0.396 nan 8.230 nan 0.000 0.437 516 K N 0.363 120.622 120.400 -0.236 0.000 2.336 516 K HA 0.111 4.457 4.320 0.042 0.000 0.262 516 K C -2.140 174.400 176.600 -0.099 0.000 0.992 516 K CA -1.576 54.631 56.287 -0.134 0.000 0.927 516 K CB -0.326 32.112 32.500 -0.104 0.000 0.956 516 K HN -0.147 nan 8.250 nan 0.000 0.495 517 P HA -0.038 nan 4.420 nan 0.000 0.271 517 P C -0.247 177.040 177.300 -0.021 0.000 1.233 517 P CA -0.183 62.912 63.100 -0.008 0.000 0.789 517 P CB 0.378 32.080 31.700 0.003 0.000 0.951 518 L N 1.040 122.265 121.223 0.003 0.000 2.593 518 L HA -0.084 4.282 4.340 0.042 0.000 0.287 518 L C 1.040 177.863 176.870 -0.078 0.000 1.243 518 L CA 1.022 55.823 54.840 -0.065 0.000 0.890 518 L CB -0.250 41.765 42.059 -0.074 0.000 1.134 518 L HN 0.501 nan 8.230 nan 0.000 0.502 519 E N 2.824 122.952 120.200 -0.119 0.000 2.218 519 E HA 0.370 4.745 4.350 0.042 0.000 0.263 519 E C -1.358 175.141 176.600 -0.168 0.000 0.879 519 E CA -0.748 55.585 56.400 -0.111 0.000 0.762 519 E CB 1.884 31.527 29.700 -0.096 0.000 1.166 519 E HN 0.296 nan 8.360 nan 0.000 0.415 520 V N 5.317 125.145 119.914 -0.144 0.000 2.461 520 V HA 0.396 4.541 4.120 0.042 0.000 0.275 520 V C 0.334 176.286 176.094 -0.235 0.000 1.047 520 V CA -0.194 61.999 62.300 -0.179 0.000 0.955 520 V CB 0.867 32.642 31.823 -0.079 0.000 0.988 520 V HN 0.662 nan 8.190 nan 0.000 0.471 521 R N 4.079 124.306 120.500 -0.454 0.000 2.892 521 R HA 0.745 5.110 4.340 0.042 0.000 0.265 521 R C -0.815 175.236 176.300 -0.416 0.000 1.025 521 R CA -1.064 54.750 56.100 -0.478 0.000 0.982 521 R CB 2.436 32.325 30.300 -0.685 0.000 1.185 521 R HN 0.567 nan 8.270 nan 0.000 0.484 522 R N -0.062 120.379 120.500 -0.098 0.000 2.534 522 R HA 0.462 4.828 4.340 0.042 0.000 0.301 522 R C -0.743 175.729 176.300 0.287 0.000 0.961 522 R CA -0.404 55.755 56.100 0.099 0.000 0.871 522 R CB 2.196 32.526 30.300 0.051 0.000 1.170 522 R HN 0.913 nan 8.270 nan 0.000 0.446 523 G N 2.351 111.395 108.800 0.406 0.000 3.445 523 G HA2 -0.208 3.778 3.960 0.042 0.000 0.680 523 G HA3 -0.208 3.778 3.960 0.042 0.000 0.680 523 G C -1.155 173.972 174.900 0.378 0.000 0.972 523 G CA -0.888 44.414 45.100 0.337 0.000 0.798 523 G HN 0.373 nan 8.290 nan 0.000 0.461 524 L N 4.358 125.689 121.223 0.180 0.000 2.352 524 L HA 0.567 4.933 4.340 0.042 0.000 0.272 524 L C 1.503 178.392 176.870 0.030 0.000 1.109 524 L CA -0.520 54.254 54.840 -0.109 0.000 0.952 524 L CB -0.355 41.541 42.059 -0.272 0.000 1.314 524 L HN 0.720 nan 8.230 nan 0.000 0.427 525 R N 2.580 123.140 120.500 0.100 0.000 3.416 525 R HA -0.266 4.099 4.340 0.042 0.000 0.263 525 R C 1.320 177.720 176.300 0.168 0.000 1.053 525 R CA 0.721 56.911 56.100 0.151 0.000 0.705 525 R CB -2.156 28.241 30.300 0.162 0.000 1.124 525 R HN 0.747 nan 8.270 nan 0.000 0.444 526 A N 0.583 123.499 122.820 0.160 0.000 1.892 526 A HA -0.265 4.080 4.320 0.042 0.000 0.218 526 A C 2.083 179.759 177.584 0.154 0.000 1.188 526 A CA 1.441 53.570 52.037 0.153 0.000 0.631 526 A CB -0.140 18.945 19.000 0.142 0.000 0.822 526 A HN 0.390 nan 8.150 nan 0.000 0.447 527 Q N -0.849 119.041 119.800 0.150 0.000 2.050 527 Q HA -0.112 4.253 4.340 0.042 0.000 0.202 527 Q C 2.250 178.370 176.000 0.199 0.000 0.980 527 Q CA 2.122 58.015 55.803 0.150 0.000 0.840 527 Q CB -1.115 27.698 28.738 0.125 0.000 0.898 527 Q HN 0.655 nan 8.270 nan 0.000 0.424 528 T N 0.214 114.914 114.554 0.243 0.000 2.904 528 T HA -0.079 4.296 4.350 0.042 0.000 0.267 528 T C 1.956 176.885 174.700 0.383 0.000 1.059 528 T CA 0.864 63.151 62.100 0.312 0.000 1.137 528 T CB -0.161 68.938 68.868 0.384 0.000 0.879 528 T HN 0.302 nan 8.240 nan 0.000 0.467 529 c N 1.500 120.306 118.600 0.342 0.000 2.446 529 c HA 0.274 4.869 4.570 0.042 0.000 0.279 529 c C 3.081 177.333 174.090 0.269 0.000 1.366 529 c CA 0.021 56.557 56.329 0.346 0.000 1.763 529 c CB -1.296 41.349 42.510 0.225 0.000 1.929 529 c HN 0.636 nan 8.230 nan 0.000 0.509 530 A N 0.365 123.311 122.820 0.210 0.000 1.902 530 A HA -0.201 4.145 4.320 0.042 0.000 0.217 530 A C 1.871 179.550 177.584 0.159 0.000 1.181 530 A CA 1.649 53.783 52.037 0.162 0.000 0.623 530 A CB -0.856 18.225 19.000 0.135 0.000 0.818 530 A HN 0.524 nan 8.150 nan 0.000 0.443 531 F N -0.753 119.183 119.950 -0.024 0.000 2.065 531 F HA -0.242 4.312 4.527 0.045 0.000 0.298 531 F C 2.007 177.754 175.800 -0.088 0.000 1.112 531 F CA 2.013 59.916 58.000 -0.162 0.000 1.212 531 F CB -0.607 38.031 39.000 -0.604 0.000 0.975 531 F HN 0.403 nan 8.300 nan 0.000 0.476 532 W N 0.311 121.600 121.300 -0.018 0.000 2.418 532 W HA -0.126 4.558 4.660 0.040 0.000 0.292 532 W C 2.179 178.648 176.519 -0.083 0.000 1.213 532 W CA 0.940 58.238 57.345 -0.077 0.000 1.283 532 W CB -0.375 29.162 29.460 0.128 0.000 1.119 532 W HN -0.023 nan 8.180 nan 0.000 0.542 533 N N -0.818 118.004 118.700 0.203 0.000 2.409 533 N HA 0.057 4.823 4.740 0.042 0.000 0.174 533 N C 1.544 177.083 175.510 0.049 0.000 1.037 533 N CA 0.770 53.887 53.050 0.112 0.000 0.898 533 N CB -0.193 38.358 38.487 0.108 0.000 1.010 533 N HN 0.188 nan 8.380 nan 0.000 0.445 534 R N -0.950 119.579 120.500 0.048 0.000 2.084 534 R HA 0.215 4.581 4.340 0.042 0.000 0.209 534 R C 1.586 177.901 176.300 0.025 0.000 1.173 534 R CA 0.193 56.320 56.100 0.045 0.000 1.053 534 R CB -0.178 30.171 30.300 0.081 0.000 0.948 534 R HN 0.053 nan 8.270 nan 0.000 0.460 535 F N 1.410 121.264 119.950 -0.159 0.000 2.149 535 F HA -0.017 4.536 4.527 0.043 0.000 0.294 535 F C 1.980 177.601 175.800 -0.297 0.000 1.095 535 F CA 0.892 58.772 58.000 -0.201 0.000 1.276 535 F CB -0.249 38.644 39.000 -0.179 0.000 1.023 535 F HN -0.089 nan 8.300 nan 0.000 0.480 536 L N 1.190 122.077 121.223 -0.560 0.000 2.013 536 L HA -0.150 4.216 4.340 0.042 0.000 0.212 536 L C -0.537 176.096 176.870 -0.394 0.000 1.073 536 L CA 2.303 56.764 54.840 -0.632 0.000 0.753 536 L CB -2.202 39.464 42.059 -0.656 0.000 0.890 536 L HN 0.089 nan 8.230 nan 0.000 0.432 537 P HA -0.189 nan 4.420 nan 0.000 0.215 537 P C 1.565 178.737 177.300 -0.214 0.000 1.157 537 P CA 1.477 64.477 63.100 -0.166 0.000 0.868 537 P CB -0.085 31.556 31.700 -0.098 0.000 0.788 538 K N -0.937 119.305 120.400 -0.263 0.000 2.074 538 K HA -0.191 4.154 4.320 0.042 0.000 0.209 538 K C 1.982 178.386 176.600 -0.327 0.000 1.048 538 K CA 1.274 57.405 56.287 -0.260 0.000 0.926 538 K CB -0.977 31.377 32.500 -0.243 0.000 0.713 538 K HN 0.078 nan 8.250 nan 0.000 0.444 539 L N 1.547 122.451 121.223 -0.531 0.000 1.994 539 L HA -0.155 4.210 4.340 0.042 0.000 0.208 539 L C 2.006 178.731 176.870 -0.242 0.000 1.071 539 L CA 1.509 56.072 54.840 -0.461 0.000 0.745 539 L CB -0.623 41.055 42.059 -0.636 0.000 0.892 539 L HN 0.112 nan 8.230 nan 0.000 0.431 540 L N -0.201 120.895 121.223 -0.212 0.000 2.012 540 L HA -0.185 4.180 4.340 0.042 0.000 0.210 540 L C 1.704 178.515 176.870 -0.098 0.000 1.073 540 L CA 1.471 56.237 54.840 -0.125 0.000 0.748 540 L CB -0.880 41.119 42.059 -0.099 0.000 0.891 540 L HN 0.524 nan 8.230 nan 0.000 0.431 541 S N -0.319 115.317 115.700 -0.106 0.000 4.085 541 S HA 0.579 5.074 4.470 0.042 0.000 0.189 541 S C 0.036 174.590 174.600 -0.077 0.000 1.392 541 S CA -0.054 58.099 58.200 -0.079 0.000 0.972 541 S CB -0.445 62.712 63.200 -0.072 0.000 1.482 541 S HN 0.401 nan 8.310 nan 0.000 0.446 542 A N 0.000 122.777 122.820 -0.071 0.000 2.254 542 A HA 0.000 4.345 4.320 0.042 0.000 0.244 542 A CA 0.000 52.003 52.037 -0.056 0.000 0.836 542 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486