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 2jgl_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGEX DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.624 176.600 0.039 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 0.028 0.000 0.812 5 D N 4.950 125.380 120.400 0.051 0.000 2.451 5 D HA 0.020 4.687 4.640 0.046 0.000 0.254 5 D C -1.329 175.007 176.300 0.061 0.000 1.204 5 D CA -1.374 52.669 54.000 0.072 0.000 0.896 5 D CB 1.282 42.148 40.800 0.110 0.000 1.136 5 D HN 0.260 nan 8.370 nan 0.000 0.499 6 P HA -0.060 nan 4.420 nan 0.000 0.241 6 P C 0.900 178.207 177.300 0.011 0.000 1.191 6 P CA 0.420 63.535 63.100 0.025 0.000 0.771 6 P CB 0.525 32.232 31.700 0.011 0.000 0.929 7 Q N -0.258 119.536 119.800 -0.011 0.000 2.311 7 Q HA 0.089 4.456 4.340 0.046 0.000 0.203 7 Q C 1.756 177.802 176.000 0.077 0.000 0.954 7 Q CA 0.850 56.612 55.803 -0.068 0.000 0.885 7 Q CB -0.172 28.352 28.738 -0.357 0.000 0.963 7 Q HN 0.416 nan 8.270 nan 0.000 0.471 8 L N 0.328 121.618 121.223 0.113 0.000 2.685 8 L HA 0.247 4.615 4.340 0.046 0.000 0.233 8 L C 0.149 177.178 176.870 0.265 0.000 1.173 8 L CA -0.058 54.889 54.840 0.177 0.000 0.961 8 L CB 0.261 42.356 42.059 0.060 0.000 1.217 8 L HN -0.052 nan 8.230 nan 0.000 0.478 9 L N 0.703 122.038 121.223 0.187 0.000 2.319 9 L HA 0.538 4.905 4.340 0.046 0.000 0.281 9 L C -0.829 176.064 176.870 0.039 0.000 1.005 9 L CA -0.483 54.437 54.840 0.133 0.000 0.828 9 L CB 2.277 44.379 42.059 0.071 0.000 1.227 9 L HN -0.203 nan 8.230 nan 0.000 0.415 10 V N 3.317 123.220 119.914 -0.017 0.000 2.680 10 V HA 0.480 4.628 4.120 0.046 0.000 0.309 10 V C -0.236 175.769 176.094 -0.148 0.000 1.052 10 V CA -0.812 61.336 62.300 -0.254 0.000 0.908 10 V CB 2.298 33.671 31.823 -0.749 0.000 1.001 10 V HN 0.708 nan 8.190 nan 0.000 0.431 11 R N 3.387 123.778 120.500 -0.183 0.000 2.239 11 R HA 0.676 5.044 4.340 0.046 0.000 0.332 11 R C -0.596 175.604 176.300 -0.166 0.000 0.988 11 R CA -0.347 55.681 56.100 -0.121 0.000 0.859 11 R CB 1.273 31.510 30.300 -0.105 0.000 1.148 11 R HN 0.720 nan 8.270 nan 0.000 0.482 12 V N 1.744 121.606 119.914 -0.087 0.000 3.336 12 V HA 0.426 4.574 4.120 0.046 0.000 0.314 12 V C 1.278 177.287 176.094 -0.140 0.000 1.088 12 V CA -0.787 61.461 62.300 -0.086 0.000 1.033 12 V CB 1.500 33.405 31.823 0.137 0.000 1.181 12 V HN 0.825 nan 8.190 nan 0.000 0.449 13 R N 0.796 121.202 120.500 -0.156 0.000 2.159 13 R HA -0.036 4.331 4.340 0.046 0.000 0.237 13 R C 1.862 178.021 176.300 -0.235 0.000 1.131 13 R CA 1.535 57.535 56.100 -0.166 0.000 0.982 13 R CB -0.555 29.665 30.300 -0.134 0.000 0.868 13 R HN 0.984 nan 8.270 nan 0.000 0.453 14 G N -0.724 107.868 108.800 -0.346 0.000 3.088 14 G HA2 0.361 4.349 3.960 0.046 0.000 0.217 14 G HA3 0.361 4.349 3.960 0.046 0.000 0.217 14 G C 0.315 174.289 174.900 -1.543 0.000 1.159 14 G CA 0.433 45.096 45.100 -0.728 0.000 0.760 14 G HN 0.544 nan 8.290 nan 0.000 0.550 15 G N -0.699 107.484 108.800 -1.030 0.000 2.293 15 G HA2 0.046 4.033 3.960 0.046 0.000 0.282 15 G HA3 0.046 4.033 3.960 0.046 0.000 0.282 15 G C -1.088 173.704 174.900 -0.180 0.000 1.299 15 G CA -0.963 43.631 45.100 -0.844 0.000 1.018 15 G HN 0.294 nan 8.290 nan 0.000 0.478 16 Q N -0.471 119.429 119.800 0.167 0.000 2.222 16 Q HA 0.740 5.108 4.340 0.046 0.000 0.252 16 Q C -0.536 175.761 176.000 0.495 0.000 0.926 16 Q CA -0.411 55.563 55.803 0.285 0.000 0.899 16 Q CB 2.189 31.026 28.738 0.166 0.000 1.250 16 Q HN 0.485 nan 8.270 nan 0.000 0.441 17 L N 1.124 122.545 121.223 0.330 0.000 2.371 17 L HA 0.625 4.993 4.340 0.046 0.000 0.262 17 L C -0.529 176.499 176.870 0.263 0.000 1.006 17 L CA -0.810 54.218 54.840 0.313 0.000 0.818 17 L CB 2.420 44.699 42.059 0.367 0.000 1.354 17 L HN 0.473 nan 8.230 nan 0.000 0.415 18 R N 0.633 121.273 120.500 0.232 0.000 2.476 18 R HA 0.664 5.031 4.340 0.046 0.000 0.305 18 R C -0.325 176.072 176.300 0.161 0.000 0.965 18 R CA -0.360 55.858 56.100 0.196 0.000 0.867 18 R CB 1.762 32.122 30.300 0.099 0.000 1.176 18 R HN 0.789 nan 8.270 nan 0.000 0.447 19 G N 3.351 112.213 108.800 0.103 0.000 2.531 19 G HA2 0.442 4.430 3.960 0.046 0.000 0.281 19 G HA3 0.442 4.430 3.960 0.046 0.000 0.281 19 G C -0.892 173.834 174.900 -0.290 0.000 1.382 19 G CA -0.717 44.160 45.100 -0.373 0.000 1.045 19 G HN 0.596 nan 8.290 nan 0.000 0.533 20 I N -1.109 119.231 120.570 -0.382 0.000 2.730 20 I HA 0.522 4.720 4.170 0.046 0.000 0.298 20 I C -0.356 175.647 176.117 -0.190 0.000 1.089 20 I CA -1.159 60.007 61.300 -0.223 0.000 1.041 20 I CB 2.244 40.121 38.000 -0.204 0.000 1.235 20 I HN 0.444 nan 8.210 nan 0.000 0.423 21 R N 7.436 127.880 120.500 -0.094 0.000 2.216 21 R HA 0.533 4.901 4.340 0.046 0.000 0.332 21 R C -1.575 174.673 176.300 -0.086 0.000 1.056 21 R CA -0.377 55.690 56.100 -0.055 0.000 0.901 21 R CB 0.575 30.835 30.300 -0.067 0.000 1.039 21 R HN 0.624 nan 8.270 nan 0.000 0.456 22 L N 4.027 125.212 121.223 -0.064 0.000 2.334 22 L HA 0.448 4.815 4.340 0.046 0.000 0.272 22 L C -0.332 176.497 176.870 -0.068 0.000 1.020 22 L CA -1.083 53.721 54.840 -0.059 0.000 0.812 22 L CB 1.791 43.840 42.059 -0.017 0.000 1.264 22 L HN 0.579 nan 8.230 nan 0.000 0.439 23 K N 1.545 121.899 120.400 -0.077 0.000 2.213 23 K HA 0.750 5.098 4.320 0.046 0.000 0.270 23 K C -0.886 175.657 176.600 -0.095 0.000 1.002 23 K CA -0.377 55.861 56.287 -0.081 0.000 0.868 23 K CB 1.878 34.335 32.500 -0.072 0.000 1.093 23 K HN 0.548 nan 8.250 nan 0.000 0.454 24 A N 4.190 126.954 122.820 -0.093 0.000 2.281 24 A HA 0.538 4.886 4.320 0.046 0.000 0.329 24 A C -1.847 175.735 177.584 -0.003 0.000 1.122 24 A CA -2.007 49.966 52.037 -0.107 0.000 0.850 24 A CB 0.549 19.474 19.000 -0.124 0.000 1.207 24 A HN 0.737 nan 8.150 nan 0.000 0.495 25 P HA -0.038 nan 4.420 nan 0.000 0.218 25 P C 0.994 178.323 177.300 0.048 0.000 1.148 25 P CA 1.822 64.970 63.100 0.081 0.000 0.822 25 P CB 0.269 32.048 31.700 0.133 0.000 0.784 26 G N -1.929 106.901 108.800 0.050 0.000 3.690 26 G HA2 0.523 4.511 3.960 0.046 0.000 0.283 26 G HA3 0.523 4.511 3.960 0.046 0.000 0.283 26 G C 0.260 175.174 174.900 0.023 0.000 1.057 26 G CA 0.228 45.349 45.100 0.035 0.000 0.821 26 G HN 0.524 nan 8.290 nan 0.000 0.526 27 G N -0.099 108.706 108.800 0.009 0.000 2.352 27 G HA2 0.419 4.406 3.960 0.046 0.000 0.302 27 G HA3 0.419 4.406 3.960 0.046 0.000 0.302 27 G C -3.505 171.378 174.900 -0.029 0.000 1.370 27 G CA -0.736 44.362 45.100 -0.005 0.000 0.918 27 G HN 0.058 nan 8.290 nan 0.000 0.610 28 P HA 0.619 nan 4.420 nan 0.000 0.282 28 P C -0.226 177.094 177.300 0.033 0.000 1.259 28 P CA -0.506 62.534 63.100 -0.100 0.000 0.826 28 P CB 1.875 33.374 31.700 -0.335 0.000 1.064 29 V N -1.857 118.097 119.914 0.067 0.000 3.078 29 V HA 0.658 4.805 4.120 0.046 0.000 0.311 29 V C -0.474 175.742 176.094 0.203 0.000 1.138 29 V CA -0.928 61.482 62.300 0.184 0.000 1.007 29 V CB 1.758 33.679 31.823 0.164 0.000 1.045 29 V HN 0.441 nan 8.190 nan 0.000 0.432 30 S N 2.081 117.922 115.700 0.234 0.000 2.438 30 S HA 0.821 5.318 4.470 0.046 0.000 0.293 30 S C 0.103 174.633 174.600 -0.117 0.000 1.141 30 S CA -0.008 58.226 58.200 0.057 0.000 1.080 30 S CB 1.080 64.356 63.200 0.127 0.000 0.978 30 S HN 1.523 nan 8.310 nan 0.000 0.479 31 A N 3.041 125.632 122.820 -0.381 0.000 2.304 31 A HA 0.798 5.146 4.320 0.046 0.000 0.323 31 A C -0.919 176.168 177.584 -0.827 0.000 1.195 31 A CA -0.641 51.061 52.037 -0.558 0.000 0.826 31 A CB 0.198 18.880 19.000 -0.530 0.000 1.184 31 A HN 0.706 nan 8.150 nan 0.000 0.496 32 F N 2.998 122.781 119.950 -0.278 0.000 2.359 32 F HA 0.446 5.000 4.527 0.046 0.000 0.370 32 F C -0.258 175.367 175.800 -0.292 0.000 1.077 32 F CA -0.303 57.606 58.000 -0.151 0.000 1.136 32 F CB 0.999 40.063 39.000 0.106 0.000 1.387 32 F HN 0.331 nan 8.300 nan 0.000 0.468 33 L N 1.778 122.855 121.223 -0.243 0.000 2.325 33 L HA 0.797 5.165 4.340 0.046 0.000 0.278 33 L C 0.920 177.698 176.870 -0.153 0.000 1.023 33 L CA -1.075 53.579 54.840 -0.309 0.000 0.811 33 L CB 1.660 43.335 42.059 -0.639 0.000 1.249 33 L HN 0.775 nan 8.230 nan 0.000 0.431 34 G N 2.636 111.402 108.800 -0.057 0.000 2.212 34 G HA2 -0.232 3.755 3.960 0.046 0.000 0.255 34 G HA3 -0.232 3.755 3.960 0.046 0.000 0.255 34 G C -0.199 174.702 174.900 0.002 0.000 1.062 34 G CA -0.404 44.642 45.100 -0.090 0.000 0.815 34 G HN 0.475 nan 8.290 nan 0.000 0.497 35 I N 1.960 122.572 120.570 0.070 0.000 2.396 35 I HA 0.279 4.477 4.170 0.046 0.000 0.289 35 I C -1.582 174.606 176.117 0.118 0.000 1.056 35 I CA -2.256 59.076 61.300 0.053 0.000 1.365 35 I CB 1.171 39.157 38.000 -0.024 0.000 1.407 35 I HN -0.045 nan 8.210 nan 0.000 0.509 36 P HA 0.095 nan 4.420 nan 0.000 0.281 36 P C -0.264 176.970 177.300 -0.110 0.000 1.252 36 P CA -0.126 62.891 63.100 -0.140 0.000 0.778 36 P CB 0.577 32.198 31.700 -0.132 0.000 0.895 37 F N 0.916 120.720 119.950 -0.243 0.000 2.706 37 F HA 0.745 5.300 4.527 0.046 0.000 0.313 37 F C 0.018 175.810 175.800 -0.013 0.000 1.096 37 F CA -0.875 57.037 58.000 -0.147 0.000 1.219 37 F CB 0.169 38.982 39.000 -0.312 0.000 1.051 37 F HN 0.325 nan 8.300 nan 0.000 0.568 38 A N 0.077 122.620 122.820 -0.460 0.000 2.594 38 A HA 0.542 4.890 4.320 0.046 0.000 0.295 38 A C -0.808 176.613 177.584 -0.272 0.000 1.071 38 A CA -0.800 51.060 52.037 -0.296 0.000 0.685 38 A CB 0.955 19.713 19.000 -0.402 0.000 1.285 38 A HN 0.069 nan 8.150 nan 0.000 0.405 39 E N 1.509 121.632 120.200 -0.129 0.000 2.465 39 E HA 0.158 4.535 4.350 0.046 0.000 0.260 39 E C -2.261 174.237 176.600 -0.170 0.000 0.980 39 E CA -0.974 55.361 56.400 -0.108 0.000 0.927 39 E CB -0.117 29.556 29.700 -0.045 0.000 0.934 39 E HN 0.255 nan 8.360 nan 0.000 0.459 40 P HA 0.011 nan 4.420 nan 0.000 0.263 40 P C -2.220 174.998 177.300 -0.136 0.000 1.195 40 P CA -0.835 62.158 63.100 -0.178 0.000 0.762 40 P CB -0.063 31.568 31.700 -0.114 0.000 0.799 41 P HA 0.019 nan 4.420 nan 0.000 0.220 41 P C -0.410 176.814 177.300 -0.128 0.000 1.806 41 P CA 0.057 63.087 63.100 -0.117 0.000 0.976 41 P CB -0.142 31.492 31.700 -0.110 0.000 1.952 42 V N -2.505 117.341 119.914 -0.114 0.000 2.881 42 V HA 0.899 5.047 4.120 0.046 0.000 0.316 42 V C 0.926 176.961 176.094 -0.098 0.000 1.070 42 V CA 0.109 62.338 62.300 -0.119 0.000 0.976 42 V CB 0.926 32.687 31.823 -0.104 0.000 1.038 42 V HN 0.561 nan 8.190 nan 0.000 0.446 43 G N 3.076 111.814 108.800 -0.103 0.000 2.574 43 G HA2 -0.338 3.650 3.960 0.046 0.000 0.301 43 G HA3 -0.338 3.650 3.960 0.046 0.000 0.301 43 G C 1.234 176.091 174.900 -0.073 0.000 1.166 43 G CA 1.428 46.483 45.100 -0.076 0.000 0.971 43 G HN 2.346 nan 8.290 nan 0.000 0.542 44 S N 0.628 116.301 115.700 -0.044 0.000 2.561 44 S HA 0.101 4.599 4.470 0.046 0.000 0.225 44 S C 1.954 176.538 174.600 -0.027 0.000 0.977 44 S CA 1.478 59.664 58.200 -0.024 0.000 0.926 44 S CB -0.032 63.165 63.200 -0.006 0.000 0.769 44 S HN 0.596 nan 8.310 nan 0.000 0.533 45 R N 1.022 121.491 120.500 -0.051 0.000 2.276 45 R HA 0.231 4.599 4.340 0.046 0.000 0.196 45 R C 0.903 177.152 176.300 -0.086 0.000 0.961 45 R CA -0.113 55.958 56.100 -0.049 0.000 1.024 45 R CB -0.387 29.883 30.300 -0.050 0.000 0.940 45 R HN 0.493 nan 8.270 nan 0.000 0.480 46 R N 0.832 121.229 120.500 -0.173 0.000 2.583 46 R HA -0.170 4.198 4.340 0.046 0.000 0.274 46 R C -0.226 175.885 176.300 -0.315 0.000 0.998 46 R CA 0.634 56.508 56.100 -0.377 0.000 1.081 46 R CB 0.052 29.980 30.300 -0.620 0.000 0.940 46 R HN 0.085 nan 8.270 nan 0.000 0.413 47 F N -0.719 119.242 119.950 0.019 0.000 2.748 47 F HA -0.303 4.252 4.527 0.046 0.000 0.370 47 F C 0.032 175.820 175.800 -0.020 0.000 0.620 47 F CA 0.649 58.637 58.000 -0.020 0.000 1.233 47 F CB -1.608 37.371 39.000 -0.035 0.000 1.708 47 F HN 0.456 nan 8.300 nan 0.000 0.298 48 M N 1.433 121.098 119.600 0.109 0.000 2.478 48 M HA 0.420 4.928 4.480 0.046 0.000 0.327 48 M C -2.026 174.303 176.300 0.048 0.000 1.187 48 M CA -1.544 53.801 55.300 0.074 0.000 1.022 48 M CB 1.142 33.772 32.600 0.049 0.000 1.629 48 M HN -0.364 nan 8.290 nan 0.000 0.461 49 P HA 0.083 nan 4.420 nan 0.000 0.265 49 P C -2.526 174.803 177.300 0.049 0.000 1.187 49 P CA -0.593 62.541 63.100 0.057 0.000 0.766 49 P CB -0.860 30.882 31.700 0.070 0.000 0.820 50 P HA 0.182 nan 4.420 nan 0.000 0.271 50 P C -0.405 176.931 177.300 0.061 0.000 1.216 50 P CA 0.185 63.314 63.100 0.047 0.000 0.776 50 P CB 0.973 32.726 31.700 0.089 0.000 0.881 51 E N 3.134 123.355 120.200 0.034 0.000 2.202 51 E HA 0.357 4.735 4.350 0.046 0.000 0.272 51 E C -2.171 174.467 176.600 0.062 0.000 0.951 51 E CA -2.451 53.979 56.400 0.050 0.000 0.813 51 E CB 0.766 30.486 29.700 0.033 0.000 1.151 51 E HN 0.381 nan 8.360 nan 0.000 0.398 52 P HA -0.071 nan 4.420 nan 0.000 0.265 52 P C -0.644 176.723 177.300 0.113 0.000 1.193 52 P CA -0.066 63.116 63.100 0.136 0.000 0.765 52 P CB 0.437 32.221 31.700 0.140 0.000 0.823 53 K N 4.142 124.628 120.400 0.144 0.000 2.412 53 K HA 0.035 4.382 4.320 0.046 0.000 0.281 53 K C 0.152 176.861 176.600 0.182 0.000 1.027 53 K CA 0.187 56.559 56.287 0.141 0.000 0.989 53 K CB 0.140 32.749 32.500 0.183 0.000 0.935 53 K HN 0.262 nan 8.250 nan 0.000 0.475 54 R N 5.101 125.691 120.500 0.149 0.000 2.590 54 R HA 0.112 4.480 4.340 0.046 0.000 0.274 54 R C -1.974 174.443 176.300 0.196 0.000 1.061 54 R CA -1.482 54.699 56.100 0.135 0.000 1.081 54 R CB -0.071 30.290 30.300 0.103 0.000 0.984 54 R HN 0.592 nan 8.270 nan 0.000 0.448 55 P HA -0.107 nan 4.420 nan 0.000 0.267 55 P C -1.163 176.200 177.300 0.106 0.000 1.201 55 P CA 0.259 63.333 63.100 -0.043 0.000 0.775 55 P CB 0.319 31.953 31.700 -0.110 0.000 0.854 56 W N 0.457 121.790 121.300 0.055 0.000 2.992 56 W HA 0.702 5.390 4.660 0.046 0.000 0.342 56 W C -0.964 175.580 176.519 0.041 0.000 1.176 56 W CA -1.029 56.345 57.345 0.048 0.000 1.118 56 W CB 0.149 29.645 29.460 0.060 0.000 1.457 56 W HN 0.386 nan 8.180 nan 0.000 0.573 57 S N 1.346 117.242 115.700 0.327 0.000 2.608 57 S HA 0.831 5.328 4.470 0.046 0.000 0.291 57 S C 0.475 175.233 174.600 0.264 0.000 1.146 57 S CA 0.104 58.417 58.200 0.189 0.000 1.043 57 S CB 0.974 64.247 63.200 0.123 0.000 1.037 57 S HN 2.303 nan 8.310 nan 0.000 0.520 58 G N 0.579 109.480 108.800 0.168 0.000 2.539 58 G HA2 -0.172 3.816 3.960 0.046 0.000 0.256 58 G HA3 -0.172 3.816 3.960 0.046 0.000 0.256 58 G C -0.661 174.378 174.900 0.232 0.000 1.233 58 G CA -0.204 44.992 45.100 0.160 0.000 0.936 58 G HN 1.746 nan 8.290 nan 0.000 0.571 59 V N 0.788 120.813 119.914 0.186 0.000 2.326 59 V HA 0.514 4.661 4.120 0.046 0.000 0.281 59 V C 0.455 176.630 176.094 0.136 0.000 1.015 59 V CA -0.449 61.966 62.300 0.191 0.000 0.823 59 V CB 1.139 33.035 31.823 0.121 0.000 1.009 59 V HN 0.837 nan 8.190 nan 0.000 0.436 60 L N 4.210 125.518 121.223 0.141 0.000 2.462 60 L HA 0.260 4.628 4.340 0.046 0.000 0.272 60 L C 0.376 177.221 176.870 -0.041 0.000 1.166 60 L CA 0.454 55.232 54.840 -0.104 0.000 0.880 60 L CB 0.552 42.303 42.059 -0.513 0.000 1.142 60 L HN 0.755 nan 8.230 nan 0.000 0.473 61 D N 4.389 124.745 120.400 -0.073 0.000 2.338 61 D HA 0.396 5.063 4.640 0.046 0.000 0.255 61 D C -0.234 176.018 176.300 -0.079 0.000 1.237 61 D CA 0.320 54.286 54.000 -0.055 0.000 0.883 61 D CB 0.839 41.599 40.800 -0.067 0.000 1.087 61 D HN 0.651 nan 8.370 nan 0.000 0.485 62 A N 3.322 126.121 122.820 -0.035 0.000 3.201 62 A HA 0.318 4.666 4.320 0.046 0.000 0.312 62 A C 0.804 178.321 177.584 -0.112 0.000 1.011 62 A CA -0.309 51.703 52.037 -0.041 0.000 0.987 62 A CB -0.132 18.931 19.000 0.103 0.000 1.060 62 A HN 0.569 nan 8.150 nan 0.000 0.505 63 T N -3.964 110.495 114.554 -0.157 0.000 3.040 63 T HA 0.334 4.711 4.350 0.046 0.000 0.266 63 T C 0.467 175.013 174.700 -0.257 0.000 1.005 63 T CA 0.551 62.527 62.100 -0.206 0.000 0.906 63 T CB 0.304 69.084 68.868 -0.148 0.000 1.082 63 T HN 0.383 nan 8.240 nan 0.000 0.531 64 T N 0.743 115.143 114.554 -0.257 0.000 2.916 64 T HA 0.611 4.989 4.350 0.046 0.000 0.305 64 T C -1.475 173.070 174.700 -0.259 0.000 1.119 64 T CA -0.759 61.181 62.100 -0.267 0.000 1.008 64 T CB 0.711 69.486 68.868 -0.155 0.000 1.129 64 T HN 0.087 nan 8.240 nan 0.000 0.480 65 F N 3.101 122.980 119.950 -0.119 0.000 2.518 65 F HA 0.310 4.864 4.527 0.046 0.000 0.359 65 F C 1.467 177.164 175.800 -0.171 0.000 1.118 65 F CA -0.087 57.842 58.000 -0.117 0.000 1.287 65 F CB 0.554 39.516 39.000 -0.064 0.000 1.132 65 F HN 0.421 nan 8.300 nan 0.000 0.587 66 Q N 1.334 121.132 119.800 -0.003 0.000 2.189 66 Q HA 0.183 4.550 4.340 0.046 0.000 0.193 66 Q C -0.119 175.821 176.000 -0.100 0.000 1.034 66 Q CA -0.670 54.987 55.803 -0.243 0.000 1.062 66 Q CB 0.450 28.724 28.738 -0.773 0.000 1.118 66 Q HN 0.505 nan 8.270 nan 0.000 0.569 67 N N -0.198 118.433 118.700 -0.116 0.000 2.441 67 N HA 0.019 4.786 4.740 0.046 0.000 0.251 67 N C -0.592 174.918 175.510 0.001 0.000 1.242 67 N CA 0.096 53.125 53.050 -0.036 0.000 0.898 67 N CB 0.399 38.879 38.487 -0.012 0.000 1.100 67 N HN 0.169 nan 8.380 nan 0.000 0.443 68 V N 1.915 121.805 119.914 -0.040 0.000 2.583 68 V HA 0.044 4.191 4.120 0.046 0.000 0.287 68 V C 0.676 176.742 176.094 -0.047 0.000 1.051 68 V CA -0.784 61.478 62.300 -0.063 0.000 1.010 68 V CB 0.758 32.507 31.823 -0.123 0.000 0.988 68 V HN 0.709 nan 8.190 nan 0.000 0.478 69 c N 4.750 123.335 118.600 -0.026 0.000 2.597 69 c HA 0.020 4.618 4.570 0.046 0.000 0.412 69 c C 0.554 174.622 174.090 -0.037 0.000 1.348 69 c CA -0.462 55.857 56.329 -0.018 0.000 1.769 69 c CB -1.089 41.432 42.510 0.019 0.000 2.641 69 c HN 0.752 nan 8.230 nan 0.000 0.612 70 Y N 4.358 124.545 120.300 -0.188 0.000 2.729 70 Y HA 0.224 4.802 4.550 0.046 0.000 0.331 70 Y C 0.768 176.729 175.900 0.101 0.000 1.208 70 Y CA 0.947 58.942 58.100 -0.175 0.000 1.521 70 Y CB 0.017 38.157 38.460 -0.533 0.000 1.233 70 Y HN 0.735 nan 8.280 nan 0.000 0.539 71 Q N 4.632 124.334 119.800 -0.163 0.000 2.482 71 Q HA 0.243 4.611 4.340 0.046 0.000 0.286 71 Q C -1.660 174.415 176.000 0.124 0.000 1.007 71 Q CA -1.239 54.651 55.803 0.144 0.000 0.801 71 Q CB 1.331 30.147 28.738 0.131 0.000 1.455 71 Q HN 0.663 nan 8.270 nan 0.000 0.398 72 Y N 1.317 121.763 120.300 0.244 0.000 2.712 72 Y HA 0.252 4.829 4.550 0.046 0.000 0.333 72 Y C -0.978 175.066 175.900 0.241 0.000 1.225 72 Y CA 0.434 58.706 58.100 0.286 0.000 1.499 72 Y CB 0.745 39.490 38.460 0.476 0.000 1.288 72 Y HN 0.453 nan 8.280 nan 0.000 0.575 73 V N 6.542 126.111 119.914 -0.574 0.000 2.459 73 V HA 0.129 4.277 4.120 0.046 0.000 0.295 73 V C -0.559 175.155 176.094 -0.633 0.000 1.029 73 V CA -1.041 61.024 62.300 -0.393 0.000 0.874 73 V CB 1.665 33.343 31.823 -0.241 0.000 0.985 73 V HN 0.781 nan 8.190 nan 0.000 0.438 74 D N 2.680 122.997 120.400 -0.138 0.000 2.390 74 D HA 0.349 5.017 4.640 0.046 0.000 0.249 74 D C 0.888 177.212 176.300 0.041 0.000 1.144 74 D CA 0.441 54.488 54.000 0.079 0.000 0.880 74 D CB 1.267 42.282 40.800 0.358 0.000 1.182 74 D HN 0.766 nan 8.370 nan 0.000 0.451 75 T N 0.974 115.563 114.554 0.058 0.000 3.087 75 T HA 0.009 4.387 4.350 0.046 0.000 0.283 75 T C 1.513 176.217 174.700 0.007 0.000 0.956 75 T CA -0.430 61.687 62.100 0.029 0.000 0.894 75 T CB -0.161 68.703 68.868 -0.006 0.000 1.160 75 T HN 0.273 nan 8.240 nan 0.000 0.532 76 L N 0.872 122.087 121.223 -0.012 0.000 2.089 76 L HA 0.065 4.433 4.340 0.046 0.000 0.213 76 L C -0.195 176.422 176.870 -0.421 0.000 1.079 76 L CA 1.735 56.414 54.840 -0.269 0.000 0.758 76 L CB -0.526 41.262 42.059 -0.452 0.000 0.891 76 L HN 0.435 nan 8.230 nan 0.000 0.433 77 Y N -0.559 119.748 120.300 0.012 0.000 2.584 77 Y HA 0.414 4.992 4.550 0.046 0.000 0.358 77 Y C -2.212 173.717 175.900 0.048 0.000 1.028 77 Y CA -3.351 54.748 58.100 -0.001 0.000 1.148 77 Y CB -0.102 38.353 38.460 -0.008 0.000 1.126 77 Y HN 0.057 nan 8.280 nan 0.000 0.658 78 P HA 0.140 nan 4.420 nan 0.000 0.263 78 P C 0.984 178.341 177.300 0.095 0.000 1.195 78 P CA 1.370 64.525 63.100 0.091 0.000 0.762 78 P CB 0.720 32.446 31.700 0.043 0.000 0.799 79 G N 2.337 111.182 108.800 0.076 0.000 2.159 79 G HA2 -0.282 3.706 3.960 0.046 0.000 0.256 79 G HA3 -0.282 3.706 3.960 0.046 0.000 0.256 79 G C -0.132 174.814 174.900 0.077 0.000 0.977 79 G CA -0.416 44.713 45.100 0.048 0.000 0.652 79 G HN 0.538 nan 8.290 nan 0.000 0.531 80 F N 1.686 121.589 119.950 -0.078 0.000 2.411 80 F HA 0.654 5.208 4.527 0.046 0.000 0.355 80 F C 1.252 176.949 175.800 -0.172 0.000 1.117 80 F CA -1.060 56.842 58.000 -0.163 0.000 1.139 80 F CB 1.467 40.324 39.000 -0.237 0.000 1.120 80 F HN 0.078 nan 8.300 nan 0.000 0.493 81 E N 3.898 123.741 120.200 -0.595 0.000 2.160 81 E HA -0.101 4.276 4.350 0.046 0.000 0.195 81 E C 2.182 178.317 176.600 -0.775 0.000 0.991 81 E CA 1.841 57.900 56.400 -0.568 0.000 0.810 81 E CB -0.463 28.992 29.700 -0.408 0.000 0.742 81 E HN 0.896 nan 8.360 nan 0.000 0.466 82 G N -0.949 106.884 108.800 -1.613 0.000 2.448 82 G HA2 -0.266 3.722 3.960 0.046 0.000 0.219 82 G HA3 -0.266 3.722 3.960 0.046 0.000 0.219 82 G C 1.632 176.424 174.900 -0.180 0.000 1.127 82 G CA 1.570 45.923 45.100 -1.246 0.000 0.766 82 G HN 0.487 nan 8.290 nan 0.000 0.552 83 T N -2.485 111.961 114.554 -0.181 0.000 3.018 83 T HA 0.164 4.541 4.350 0.046 0.000 0.246 83 T C 1.820 176.653 174.700 0.221 0.000 1.026 83 T CA 0.489 62.828 62.100 0.398 0.000 1.081 83 T CB 0.132 69.301 68.868 0.501 0.000 0.970 83 T HN 0.143 nan 8.240 nan 0.000 0.475 84 E N 2.236 122.422 120.200 -0.024 0.000 2.268 84 E HA -0.047 4.331 4.350 0.046 0.000 0.195 84 E C 2.185 178.683 176.600 -0.171 0.000 0.995 84 E CA 1.115 57.477 56.400 -0.063 0.000 0.836 84 E CB -0.429 29.208 29.700 -0.105 0.000 0.763 84 E HN 0.788 nan 8.360 nan 0.000 0.491 85 M N -2.235 117.164 119.600 -0.335 0.000 2.446 85 M HA -0.065 4.443 4.480 0.046 0.000 0.263 85 M C 1.208 177.081 176.300 -0.712 0.000 1.066 85 M CA 1.412 56.352 55.300 -0.599 0.000 1.087 85 M CB -0.505 31.615 32.600 -0.800 0.000 1.406 85 M HN 0.000 nan 8.290 nan 0.000 0.459 86 W N 0.765 122.013 121.300 -0.087 0.000 3.107 86 W HA 0.298 4.985 4.660 0.045 0.000 0.293 86 W C 0.408 176.870 176.519 -0.095 0.000 1.239 86 W CA -0.971 56.314 57.345 -0.100 0.000 1.653 86 W CB -0.137 29.316 29.460 -0.012 0.000 1.068 86 W HN 0.084 nan 8.180 nan 0.000 0.615 87 N N 1.780 120.521 118.700 0.068 0.000 2.482 87 N HA 0.116 4.883 4.740 0.046 0.000 0.260 87 N C -2.414 173.050 175.510 -0.077 0.000 1.236 87 N CA -1.316 51.740 53.050 0.011 0.000 0.938 87 N CB -0.061 38.426 38.487 -0.001 0.000 1.128 87 N HN -0.317 nan 8.380 nan 0.000 0.448 88 P HA 0.074 nan 4.420 nan 0.000 0.264 88 P C 0.129 177.350 177.300 -0.131 0.000 1.193 88 P CA -0.025 62.996 63.100 -0.132 0.000 0.763 88 P CB 0.276 31.896 31.700 -0.134 0.000 0.810 89 N N 2.408 121.016 118.700 -0.154 0.000 2.234 89 N HA 0.100 4.868 4.740 0.046 0.000 0.227 89 N C 0.123 175.568 175.510 -0.108 0.000 1.151 89 N CA -0.133 52.835 53.050 -0.137 0.000 0.865 89 N CB 0.341 38.727 38.487 -0.168 0.000 1.066 89 N HN 0.145 nan 8.380 nan 0.000 0.515 90 R N -0.299 120.138 120.500 -0.104 0.000 2.810 90 R HA 0.327 4.695 4.340 0.046 0.000 0.266 90 R C -0.547 175.709 176.300 -0.073 0.000 1.061 90 R CA -0.596 55.460 56.100 -0.074 0.000 0.943 90 R CB 0.504 30.766 30.300 -0.063 0.000 1.237 90 R HN 0.100 nan 8.270 nan 0.000 0.459 91 E N 1.768 121.935 120.200 -0.056 0.000 2.384 91 E HA 0.138 4.516 4.350 0.046 0.000 0.266 91 E C 0.025 176.594 176.600 -0.051 0.000 1.012 91 E CA -0.025 56.347 56.400 -0.047 0.000 0.901 91 E CB 0.490 30.172 29.700 -0.030 0.000 0.967 91 E HN 0.269 nan 8.360 nan 0.000 0.435 92 L N 1.876 123.061 121.223 -0.064 0.000 2.439 92 L HA 0.182 4.549 4.340 0.046 0.000 0.269 92 L C 0.799 177.706 176.870 0.062 0.000 1.179 92 L CA 0.239 55.030 54.840 -0.082 0.000 0.828 92 L CB 0.545 42.425 42.059 -0.299 0.000 1.106 92 L HN 0.405 nan 8.230 nan 0.000 0.467 93 S N 0.520 116.271 115.700 0.084 0.000 2.565 93 S HA 0.178 4.675 4.470 0.046 0.000 0.274 93 S C 0.109 174.695 174.600 -0.023 0.000 1.144 93 S CA -0.693 57.547 58.200 0.067 0.000 0.849 93 S CB 1.536 64.749 63.200 0.021 0.000 1.103 93 S HN 0.738 nan 8.310 nan 0.000 0.455 94 E N 0.841 120.955 120.200 -0.144 0.000 2.347 94 E HA -0.038 4.339 4.350 0.046 0.000 0.196 94 E C -0.345 176.168 176.600 -0.145 0.000 1.008 94 E CA 0.417 56.664 56.400 -0.254 0.000 0.852 94 E CB 0.119 29.597 29.700 -0.371 0.000 0.783 94 E HN 0.523 nan 8.360 nan 0.000 0.505 95 D N 0.402 120.758 120.400 -0.073 0.000 2.453 95 D HA 0.006 4.674 4.640 0.046 0.000 0.223 95 D C -0.001 176.360 176.300 0.101 0.000 1.183 95 D CA -0.307 53.681 54.000 -0.021 0.000 0.933 95 D CB 0.125 40.933 40.800 0.015 0.000 1.038 95 D HN 0.141 nan 8.370 nan 0.000 0.513 96 c N 2.616 121.230 118.600 0.023 0.000 3.935 96 c HA 0.339 4.936 4.570 0.046 0.000 0.301 96 c C 0.528 174.621 174.090 0.005 0.000 1.874 96 c CA -0.650 55.766 56.329 0.145 0.000 1.723 96 c CB -1.202 41.349 42.510 0.068 0.000 3.192 96 c HN 0.450 nan 8.230 nan 0.000 0.577 97 L N 2.632 123.580 121.223 -0.459 0.000 2.395 97 L HA 0.393 4.761 4.340 0.046 0.000 0.268 97 L C -1.005 175.161 176.870 -1.173 0.000 1.223 97 L CA 0.638 55.017 54.840 -0.769 0.000 1.093 97 L CB -0.680 40.834 42.059 -0.909 0.000 1.349 97 L HN 0.398 nan 8.230 nan 0.000 0.427 98 Y N 1.907 122.150 120.300 -0.095 0.000 2.524 98 Y HA 0.584 5.162 4.550 0.046 0.000 0.347 98 Y C -0.118 175.970 175.900 0.313 0.000 1.005 98 Y CA -1.290 56.843 58.100 0.056 0.000 1.025 98 Y CB 1.975 40.434 38.460 -0.002 0.000 1.275 98 Y HN 0.206 nan 8.280 nan 0.000 0.460 99 L N 0.184 121.613 121.223 0.343 0.000 2.301 99 L HA 0.779 5.147 4.340 0.046 0.000 0.264 99 L C -1.050 175.845 176.870 0.042 0.000 1.016 99 L CA -1.133 53.789 54.840 0.137 0.000 0.821 99 L CB 1.478 43.457 42.059 -0.134 0.000 1.346 99 L HN 0.457 nan 8.230 nan 0.000 0.429 100 N N 0.394 119.125 118.700 0.051 0.000 2.319 100 N HA 0.736 5.503 4.740 0.046 0.000 0.305 100 N C -1.432 174.009 175.510 -0.114 0.000 1.103 100 N CA -0.472 52.518 53.050 -0.100 0.000 0.815 100 N CB 2.779 41.187 38.487 -0.131 0.000 1.288 100 N HN 0.504 nan 8.380 nan 0.000 0.493 101 V N 1.353 121.130 119.914 -0.229 0.000 2.525 101 V HA 0.413 4.561 4.120 0.046 0.000 0.299 101 V C -0.858 175.218 176.094 -0.029 0.000 1.034 101 V CA -0.823 61.447 62.300 -0.051 0.000 0.863 101 V CB 2.039 33.718 31.823 -0.240 0.000 0.999 101 V HN 0.548 nan 8.190 nan 0.000 0.423 102 W N 3.007 124.423 121.300 0.193 0.000 2.520 102 W HA 0.676 5.364 4.660 0.047 0.000 0.323 102 W C 0.299 176.942 176.519 0.207 0.000 1.062 102 W CA -0.424 57.034 57.345 0.188 0.000 1.215 102 W CB 2.391 31.931 29.460 0.133 0.000 1.340 102 W HN 0.645 nan 8.180 nan 0.000 0.516 103 T N -0.101 114.721 114.554 0.448 0.000 2.887 103 T HA 0.551 4.929 4.350 0.046 0.000 0.292 103 T C -2.630 172.243 174.700 0.289 0.000 1.087 103 T CA -2.320 59.988 62.100 0.347 0.000 1.009 103 T CB 2.214 71.297 68.868 0.358 0.000 1.203 103 T HN 0.032 nan 8.240 nan 0.000 0.518 104 P HA 0.169 nan 4.420 nan 0.000 0.270 104 P C -1.465 175.962 177.300 0.213 0.000 1.223 104 P CA -0.257 62.959 63.100 0.195 0.000 0.785 104 P CB 0.277 32.064 31.700 0.145 0.000 0.923 105 Y N 2.485 122.840 120.300 0.092 0.000 2.328 105 Y HA 0.363 4.941 4.550 0.046 0.000 0.333 105 Y C -1.848 174.087 175.900 0.058 0.000 0.958 105 Y CA -2.380 55.765 58.100 0.075 0.000 1.167 105 Y CB 1.230 39.721 38.460 0.052 0.000 1.151 105 Y HN 0.319 nan 8.280 nan 0.000 0.470 106 P HA 0.146 nan 4.420 nan 0.000 0.274 106 P C -1.105 176.158 177.300 -0.063 0.000 1.256 106 P CA -0.587 62.388 63.100 -0.209 0.000 0.795 106 P CB 0.955 32.589 31.700 -0.110 0.000 1.038 107 R N 0.719 121.170 120.500 -0.081 0.000 2.643 107 R HA 0.270 4.637 4.340 0.046 0.000 0.270 107 R C -2.154 174.167 176.300 0.034 0.000 1.061 107 R CA -1.222 54.894 56.100 0.028 0.000 1.107 107 R CB -1.093 29.235 30.300 0.046 0.000 0.999 107 R HN 0.264 nan 8.270 nan 0.000 0.460 108 P HA -0.075 nan 4.420 nan 0.000 0.261 108 P C -0.182 177.137 177.300 0.032 0.000 1.173 108 P CA 0.536 63.668 63.100 0.053 0.000 0.760 108 P CB 0.913 32.654 31.700 0.069 0.000 0.783 109 A N 3.017 125.851 122.820 0.024 0.000 1.930 109 A HA -0.027 4.320 4.320 0.046 0.000 0.217 109 A C 0.994 178.584 177.584 0.011 0.000 1.175 109 A CA 1.566 53.611 52.037 0.013 0.000 0.627 109 A CB -0.677 18.330 19.000 0.012 0.000 0.815 109 A HN 0.622 nan 8.150 nan 0.000 0.443 110 S N -1.101 114.608 115.700 0.016 0.000 2.621 110 S HA 0.605 5.102 4.470 0.046 0.000 0.302 110 S C -3.112 171.500 174.600 0.020 0.000 1.093 110 S CA -1.961 56.247 58.200 0.012 0.000 1.017 110 S CB 1.090 64.295 63.200 0.008 0.000 1.077 110 S HN -0.002 nan 8.310 nan 0.000 0.517 111 P HA 0.078 nan 4.420 nan 0.000 0.255 111 P C -0.638 176.675 177.300 0.023 0.000 1.161 111 P CA 0.640 63.752 63.100 0.020 0.000 0.768 111 P CB -0.259 31.445 31.700 0.005 0.000 0.746 112 T N 6.137 120.716 114.554 0.042 0.000 2.794 112 T HA 0.369 4.747 4.350 0.046 0.000 0.280 112 T C -2.377 172.350 174.700 0.046 0.000 0.987 112 T CA -1.972 60.154 62.100 0.044 0.000 0.993 112 T CB 0.778 69.686 68.868 0.066 0.000 0.939 112 T HN 0.109 nan 8.240 nan 0.000 0.449 113 P HA 0.018 nan 4.420 nan 0.000 0.261 113 P C -0.762 176.574 177.300 0.061 0.000 1.165 113 P CA 0.070 63.185 63.100 0.025 0.000 0.759 113 P CB 0.265 31.964 31.700 -0.001 0.000 0.772 114 V N 5.388 125.353 119.914 0.085 0.000 2.472 114 V HA 0.295 4.442 4.120 0.046 0.000 0.290 114 V C 0.337 176.509 176.094 0.129 0.000 1.037 114 V CA -0.453 61.920 62.300 0.122 0.000 0.908 114 V CB 1.278 33.186 31.823 0.143 0.000 0.985 114 V HN 0.275 nan 8.190 nan 0.000 0.454 115 L N 5.699 127.014 121.223 0.153 0.000 2.313 115 L HA 0.562 4.930 4.340 0.046 0.000 0.283 115 L C -0.323 176.783 176.870 0.393 0.000 1.013 115 L CA 0.116 55.069 54.840 0.189 0.000 0.816 115 L CB 1.495 43.549 42.059 -0.009 0.000 1.236 115 L HN 0.464 nan 8.230 nan 0.000 0.419 116 I N 2.798 123.629 120.570 0.437 0.000 2.330 116 I HA 0.197 4.395 4.170 0.046 0.000 0.289 116 I C -0.688 175.717 176.117 0.480 0.000 1.001 116 I CA -0.470 61.068 61.300 0.397 0.000 1.193 116 I CB 1.052 39.156 38.000 0.174 0.000 1.345 116 I HN 0.642 nan 8.210 nan 0.000 0.461 117 W N 8.583 130.008 121.300 0.209 0.000 2.351 117 W HA 0.550 5.237 4.660 0.045 0.000 0.311 117 W C -1.474 174.951 176.519 -0.157 0.000 1.168 117 W CA -0.582 56.652 57.345 -0.185 0.000 1.200 117 W CB 1.170 30.564 29.460 -0.110 0.000 1.221 117 W HN 0.357 nan 8.180 nan 0.000 0.519 118 I N 9.070 128.977 120.570 -1.105 0.000 2.411 118 I HA 0.081 4.279 4.170 0.046 0.000 0.284 118 I C -0.175 175.161 176.117 -1.301 0.000 1.012 118 I CA -1.117 59.628 61.300 -0.925 0.000 1.119 118 I CB 0.740 38.348 38.000 -0.654 0.000 1.261 118 I HN 0.317 nan 8.210 nan 0.000 0.448 119 Y N 4.594 124.466 120.300 -0.713 0.000 2.385 119 Y HA 0.653 5.230 4.550 0.046 0.000 0.346 119 Y C 0.830 176.560 175.900 -0.283 0.000 1.270 119 Y CA -0.646 57.158 58.100 -0.493 0.000 1.472 119 Y CB -0.120 38.282 38.460 -0.096 0.000 1.354 119 Y HN 0.519 nan 8.280 nan 0.000 0.611 120 G N -1.420 107.419 108.800 0.065 0.000 2.671 120 G HA2 0.490 4.478 3.960 0.046 0.000 0.275 120 G HA3 0.490 4.478 3.960 0.046 0.000 0.275 120 G C 0.298 175.149 174.900 -0.081 0.000 1.368 120 G CA -0.951 44.094 45.100 -0.092 0.000 1.044 120 G HN 1.720 nan 8.290 nan 0.000 0.543 121 G N -2.770 105.817 108.800 -0.354 0.000 2.148 121 G HA2 0.384 4.371 3.960 0.046 0.000 0.120 121 G HA3 0.384 4.371 3.960 0.046 0.000 0.120 121 G C 1.099 175.438 174.900 -0.934 0.000 1.034 121 G CA 0.732 45.489 45.100 -0.571 0.000 0.710 121 G HN 2.370 nan 8.290 nan 0.000 0.495 122 G N -0.520 107.745 108.800 -0.891 0.000 2.203 122 G HA2 -0.107 3.880 3.960 0.046 0.000 0.263 122 G HA3 -0.107 3.880 3.960 0.046 0.000 0.263 122 G C 0.887 175.516 174.900 -0.451 0.000 1.012 122 G CA 0.771 45.127 45.100 -1.240 0.000 0.749 122 G HN 1.782 nan 8.290 nan 0.000 0.512 123 F N -3.369 116.455 119.950 -0.210 0.000 2.935 123 F HA -0.322 4.232 4.527 0.046 0.000 0.317 123 F C 1.471 177.379 175.800 0.182 0.000 0.699 123 F CA 2.218 60.222 58.000 0.006 0.000 1.127 123 F CB -2.075 36.774 39.000 -0.252 0.000 1.491 123 F HN 0.923 nan 8.300 nan 0.000 0.337 124 Y N -1.337 119.070 120.300 0.179 0.000 2.426 124 Y HA 0.642 5.219 4.550 0.046 0.000 0.249 124 Y C 0.624 176.657 175.900 0.222 0.000 1.103 124 Y CA 0.259 58.490 58.100 0.219 0.000 1.256 124 Y CB -0.023 38.536 38.460 0.165 0.000 1.208 124 Y HN 0.048 nan 8.280 nan 0.000 0.519 125 S N -0.750 114.777 115.700 -0.288 0.000 2.688 125 S HA 0.908 5.406 4.470 0.046 0.000 0.275 125 S C -0.140 174.341 174.600 -0.199 0.000 1.175 125 S CA -0.571 57.526 58.200 -0.172 0.000 0.818 125 S CB 1.591 64.660 63.200 -0.218 0.000 1.157 125 S HN 1.286 nan 8.310 nan 0.000 0.482 126 G N -0.855 107.782 108.800 -0.271 0.000 2.406 126 G HA2 0.552 4.540 3.960 0.046 0.000 0.680 126 G HA3 0.552 4.540 3.960 0.046 0.000 0.680 126 G C -0.837 173.454 174.900 -1.014 0.000 1.338 126 G CA -0.115 44.649 45.100 -0.560 0.000 0.941 126 G HN 2.084 nan 8.290 nan 0.000 0.633 127 A N -1.012 121.142 122.820 -1.110 0.000 2.594 127 A HA 0.992 5.340 4.320 0.046 0.000 0.296 127 A C 0.533 177.938 177.584 -0.298 0.000 1.061 127 A CA 0.492 52.069 52.037 -0.767 0.000 0.689 127 A CB 1.035 19.816 19.000 -0.365 0.000 1.280 127 A HN 2.578 nan 8.150 nan 0.000 0.406 128 A N 0.464 123.310 122.820 0.042 0.000 2.238 128 A HA 0.319 4.667 4.320 0.046 0.000 0.208 128 A C 1.476 179.097 177.584 0.062 0.000 1.177 128 A CA 1.545 53.781 52.037 0.333 0.000 0.804 128 A CB -0.605 18.670 19.000 0.459 0.000 0.823 128 A HN 1.750 nan 8.150 nan 0.000 0.482 129 S N -0.812 114.693 115.700 -0.326 0.000 2.539 129 S HA 0.355 4.852 4.470 0.046 0.000 0.221 129 S C 0.420 174.627 174.600 -0.656 0.000 0.987 129 S CA -0.479 57.102 58.200 -1.030 0.000 0.929 129 S CB -0.481 61.981 63.200 -1.229 0.000 0.832 129 S HN 0.355 nan 8.310 nan 0.000 0.492 130 L N 2.381 123.353 121.223 -0.419 0.000 2.483 130 L HA 0.149 4.517 4.340 0.046 0.000 0.276 130 L C 1.112 177.667 176.870 -0.525 0.000 1.213 130 L CA -0.398 54.133 54.840 -0.516 0.000 0.843 130 L CB 0.195 41.820 42.059 -0.723 0.000 1.107 130 L HN 0.081 nan 8.230 nan 0.000 0.487 131 D N 1.087 121.220 120.400 -0.445 0.000 2.182 131 D HA -0.140 4.528 4.640 0.046 0.000 0.201 131 D C 1.977 178.007 176.300 -0.450 0.000 0.986 131 D CA 1.268 55.066 54.000 -0.336 0.000 0.847 131 D CB -0.033 40.611 40.800 -0.260 0.000 0.942 131 D HN 0.533 nan 8.370 nan 0.000 0.467 132 V N -1.448 118.045 119.914 -0.701 0.000 3.078 132 V HA -0.147 4.001 4.120 0.046 0.000 0.265 132 V C 0.959 176.462 176.094 -0.985 0.000 1.122 132 V CA 1.005 62.855 62.300 -0.750 0.000 1.141 132 V CB -1.126 30.216 31.823 -0.801 0.000 0.735 132 V HN 0.067 nan 8.190 nan 0.000 0.498 133 Y N 0.046 119.766 120.300 -0.966 0.000 2.607 133 Y HA 0.466 5.043 4.550 0.046 0.000 0.266 133 Y C 0.749 176.013 175.900 -1.061 0.000 1.178 133 Y CA -2.056 55.056 58.100 -1.647 0.000 1.226 133 Y CB -0.695 37.159 38.460 -1.009 0.000 1.144 133 Y HN 0.222 nan 8.280 nan 0.000 0.528 134 D N 0.852 120.933 120.400 -0.532 0.000 2.363 134 D HA 0.064 4.731 4.640 0.046 0.000 0.263 134 D C 1.376 177.365 176.300 -0.517 0.000 1.258 134 D CA 0.417 54.193 54.000 -0.373 0.000 0.907 134 D CB 1.319 42.027 40.800 -0.154 0.000 1.107 134 D HN 0.476 nan 8.370 nan 0.000 0.495 135 G N 4.225 112.157 108.800 -1.447 0.000 2.920 135 G HA2 -0.168 3.820 3.960 0.046 0.000 0.208 135 G HA3 -0.168 3.820 3.960 0.046 0.000 0.208 135 G C 1.489 175.814 174.900 -0.959 0.000 1.159 135 G CA 0.079 44.481 45.100 -1.164 0.000 0.784 135 G HN 0.576 nan 8.290 nan 0.000 0.535 136 R N -0.224 119.663 120.500 -1.021 0.000 2.081 136 R HA -0.056 4.312 4.340 0.046 0.000 0.235 136 R C 1.707 177.762 176.300 -0.409 0.000 1.131 136 R CA 1.208 56.947 56.100 -0.601 0.000 0.960 136 R CB -0.778 29.201 30.300 -0.535 0.000 0.856 136 R HN 0.303 nan 8.270 nan 0.000 0.436 137 F N 1.753 121.612 119.950 -0.152 0.000 2.102 137 F HA -0.040 4.515 4.527 0.047 0.000 0.298 137 F C 2.491 178.238 175.800 -0.088 0.000 1.105 137 F CA 1.051 58.990 58.000 -0.101 0.000 1.239 137 F CB -0.659 38.274 39.000 -0.112 0.000 0.991 137 F HN -0.109 nan 8.300 nan 0.000 0.474 138 L N -0.336 120.926 121.223 0.065 0.000 2.131 138 L HA -0.197 4.170 4.340 0.046 0.000 0.210 138 L C 2.672 179.557 176.870 0.025 0.000 1.092 138 L CA 1.042 55.882 54.840 0.001 0.000 0.759 138 L CB -0.914 41.097 42.059 -0.079 0.000 0.903 138 L HN 0.189 nan 8.230 nan 0.000 0.435 139 A N -0.989 121.850 122.820 0.032 0.000 1.873 139 A HA -0.216 4.132 4.320 0.046 0.000 0.215 139 A C 2.289 179.923 177.584 0.084 0.000 1.186 139 A CA 1.355 53.447 52.037 0.093 0.000 0.616 139 A CB -0.417 18.682 19.000 0.165 0.000 0.823 139 A HN 0.354 nan 8.150 nan 0.000 0.442 140 Q N -0.045 119.790 119.800 0.058 0.000 1.994 140 Q HA -0.079 4.288 4.340 0.046 0.000 0.198 140 Q C 2.234 178.271 176.000 0.063 0.000 0.976 140 Q CA 2.041 57.881 55.803 0.063 0.000 0.828 140 Q CB -0.431 28.331 28.738 0.040 0.000 0.894 140 Q HN 0.387 nan 8.270 nan 0.000 0.432 141 V N 1.421 121.373 119.914 0.064 0.000 2.427 141 V HA -0.144 4.003 4.120 0.046 0.000 0.248 141 V C 1.738 177.852 176.094 0.034 0.000 1.051 141 V CA 1.724 64.054 62.300 0.049 0.000 1.048 141 V CB -0.199 31.652 31.823 0.048 0.000 0.666 141 V HN 0.281 nan 8.190 nan 0.000 0.456 142 E N -0.766 119.453 120.200 0.033 0.000 2.511 142 E HA 0.219 4.597 4.350 0.046 0.000 0.209 142 E C 1.642 178.264 176.600 0.037 0.000 0.986 142 E CA 0.728 57.143 56.400 0.025 0.000 0.974 142 E CB 0.837 30.542 29.700 0.009 0.000 1.030 142 E HN 0.568 nan 8.360 nan 0.000 0.490 143 G N 2.002 110.834 108.800 0.053 0.000 2.179 143 G HA2 -0.312 3.676 3.960 0.046 0.000 0.257 143 G HA3 -0.312 3.676 3.960 0.046 0.000 0.257 143 G C 0.459 175.404 174.900 0.075 0.000 1.010 143 G CA 0.414 45.555 45.100 0.068 0.000 0.736 143 G HN 0.438 nan 8.290 nan 0.000 0.513 144 A N -0.546 122.318 122.820 0.074 0.000 2.354 144 A HA 0.685 5.033 4.320 0.046 0.000 0.269 144 A C 0.603 178.268 177.584 0.135 0.000 1.109 144 A CA -0.004 52.082 52.037 0.082 0.000 0.800 144 A CB 1.128 20.158 19.000 0.049 0.000 1.045 144 A HN 1.121 nan 8.150 nan 0.000 0.489 145 V N 3.624 123.625 119.914 0.145 0.000 2.408 145 V HA 0.248 4.396 4.120 0.046 0.000 0.267 145 V C 0.039 176.263 176.094 0.217 0.000 1.047 145 V CA 0.130 62.544 62.300 0.191 0.000 0.937 145 V CB 0.505 32.427 31.823 0.166 0.000 0.999 145 V HN 0.701 nan 8.190 nan 0.000 0.472 146 L N 6.729 128.137 121.223 0.307 0.000 2.319 146 L HA 0.655 5.022 4.340 0.046 0.000 0.281 146 L C -0.681 176.487 176.870 0.497 0.000 1.005 146 L CA -0.284 54.785 54.840 0.381 0.000 0.828 146 L CB 1.656 43.927 42.059 0.354 0.000 1.227 146 L HN 0.425 nan 8.230 nan 0.000 0.415 147 V N 3.313 123.480 119.914 0.421 0.000 2.547 147 V HA 0.697 4.845 4.120 0.046 0.000 0.299 147 V C -0.158 176.201 176.094 0.442 0.000 1.040 147 V CA -0.394 62.121 62.300 0.358 0.000 0.913 147 V CB 1.828 33.782 31.823 0.220 0.000 0.992 147 V HN 0.859 nan 8.190 nan 0.000 0.449 148 S N 5.181 121.136 115.700 0.425 0.000 2.540 148 S HA 0.848 5.346 4.470 0.046 0.000 0.275 148 S C -0.851 173.922 174.600 0.289 0.000 1.123 148 S CA -0.853 57.602 58.200 0.424 0.000 0.907 148 S CB 2.209 65.784 63.200 0.625 0.000 1.081 148 S HN 0.839 nan 8.310 nan 0.000 0.476 149 M N 1.380 121.115 119.600 0.225 0.000 2.664 149 M HA 0.660 5.167 4.480 0.046 0.000 0.314 149 M C -1.577 174.960 176.300 0.396 0.000 1.200 149 M CA -0.522 54.907 55.300 0.215 0.000 0.916 149 M CB 1.087 33.647 32.600 -0.066 0.000 1.717 149 M HN 0.556 nan 8.290 nan 0.000 0.470 150 N N 2.146 121.134 118.700 0.480 0.000 2.524 150 N HA 0.608 5.376 4.740 0.046 0.000 0.283 150 N C -1.443 174.359 175.510 0.488 0.000 1.142 150 N CA 0.100 53.450 53.050 0.500 0.000 0.984 150 N CB 0.651 39.354 38.487 0.361 0.000 1.155 150 N HN 0.712 nan 8.380 nan 0.000 0.467 151 Y N -1.998 118.485 120.300 0.305 0.000 2.534 151 Y HA 0.544 5.122 4.550 0.046 0.000 0.345 151 Y C -0.170 175.863 175.900 0.221 0.000 1.031 151 Y CA -1.302 56.921 58.100 0.206 0.000 1.022 151 Y CB 0.897 39.409 38.460 0.087 0.000 1.292 151 Y HN 0.207 nan 8.280 nan 0.000 0.459 152 R N 2.138 122.755 120.500 0.194 0.000 2.522 152 R HA 0.440 4.808 4.340 0.046 0.000 0.284 152 R C -0.096 176.316 176.300 0.185 0.000 1.032 152 R CA -0.043 56.129 56.100 0.121 0.000 1.049 152 R CB 0.698 31.043 30.300 0.074 0.000 0.956 152 R HN 0.726 nan 8.270 nan 0.000 0.422 153 V N 0.339 120.410 119.914 0.261 0.000 3.234 153 V HA 0.857 5.004 4.120 0.046 0.000 0.317 153 V C 0.891 177.276 176.094 0.485 0.000 1.147 153 V CA -0.105 62.458 62.300 0.438 0.000 1.037 153 V CB 1.080 33.092 31.823 0.314 0.000 1.148 153 V HN 0.954 nan 8.190 nan 0.000 0.455 154 G N 1.593 110.711 108.800 0.530 0.000 2.581 154 G HA2 -0.340 3.648 3.960 0.046 0.000 0.291 154 G HA3 -0.340 3.648 3.960 0.046 0.000 0.291 154 G C 1.076 176.073 174.900 0.161 0.000 1.277 154 G CA 1.835 47.160 45.100 0.375 0.000 0.959 154 G HN 2.352 nan 8.290 nan 0.000 0.554 155 T N -1.759 112.605 114.554 -0.317 0.000 2.759 155 T HA -0.083 4.295 4.350 0.046 0.000 0.269 155 T C 2.124 176.673 174.700 -0.252 0.000 1.042 155 T CA 2.571 64.252 62.100 -0.700 0.000 1.140 155 T CB -0.402 67.913 68.868 -0.922 0.000 0.864 155 T HN 0.549 nan 8.240 nan 0.000 0.455 156 F N 2.304 122.314 119.950 0.099 0.000 2.134 156 F HA 0.191 4.745 4.527 0.046 0.000 0.299 156 F C 2.876 178.686 175.800 0.018 0.000 1.097 156 F CA 0.946 58.981 58.000 0.058 0.000 1.264 156 F CB -1.161 37.835 39.000 -0.007 0.000 1.001 156 F HN 0.356 nan 8.300 nan 0.000 0.479 157 G N -1.813 107.058 108.800 0.117 0.000 2.539 157 G HA2 -0.048 3.940 3.960 0.046 0.000 0.215 157 G HA3 -0.048 3.940 3.960 0.046 0.000 0.215 157 G C 0.966 175.421 174.900 -0.741 0.000 1.141 157 G CA 0.361 45.263 45.100 -0.329 0.000 0.806 157 G HN 0.361 nan 8.290 nan 0.000 0.533 158 F N -0.727 119.304 119.950 0.136 0.000 2.856 158 F HA 0.427 4.982 4.527 0.047 0.000 0.338 158 F C 0.519 176.375 175.800 0.094 0.000 1.100 158 F CA -0.962 57.096 58.000 0.096 0.000 1.150 158 F CB 0.366 39.426 39.000 0.101 0.000 1.101 158 F HN -0.095 nan 8.300 nan 0.000 0.548 159 L N 2.308 123.558 121.223 0.045 0.000 2.562 159 L HA 0.483 4.851 4.340 0.046 0.000 0.271 159 L C 0.011 176.815 176.870 -0.110 0.000 1.167 159 L CA 0.003 54.760 54.840 -0.137 0.000 0.917 159 L CB 0.086 41.763 42.059 -0.636 0.000 1.187 159 L HN 0.125 nan 8.230 nan 0.000 0.482 160 A N 6.140 128.960 122.820 -0.001 0.000 2.371 160 A HA 0.704 5.052 4.320 0.046 0.000 0.311 160 A C -1.037 176.522 177.584 -0.043 0.000 1.068 160 A CA -0.612 51.410 52.037 -0.025 0.000 0.744 160 A CB 1.305 20.323 19.000 0.031 0.000 1.239 160 A HN 0.701 nan 8.150 nan 0.000 0.435 161 L N 3.598 124.782 121.223 -0.064 0.000 2.371 161 L HA 0.337 4.705 4.340 0.046 0.000 0.262 161 L C -2.396 174.461 176.870 -0.022 0.000 1.054 161 L CA -1.560 53.253 54.840 -0.046 0.000 0.924 161 L CB 1.449 43.468 42.059 -0.066 0.000 1.295 161 L HN 0.412 nan 8.230 nan 0.000 0.441 162 P HA 0.147 nan 4.420 nan 0.000 0.265 162 P C 0.964 178.265 177.300 0.001 0.000 1.193 162 P CA 0.594 63.694 63.100 0.001 0.000 0.765 162 P CB 1.053 32.755 31.700 0.003 0.000 0.823 163 G N 1.624 110.429 108.800 0.008 0.000 2.258 163 G HA2 -0.251 3.737 3.960 0.046 0.000 0.233 163 G HA3 -0.251 3.737 3.960 0.046 0.000 0.233 163 G C 0.495 175.400 174.900 0.008 0.000 1.006 163 G CA 0.294 45.399 45.100 0.008 0.000 0.620 163 G HN 0.820 nan 8.290 nan 0.000 0.511 164 S N -0.154 115.549 115.700 0.004 0.000 2.608 164 S HA 0.590 5.088 4.470 0.046 0.000 0.261 164 S C 1.242 175.851 174.600 0.015 0.000 1.314 164 S CA 0.543 58.747 58.200 0.005 0.000 0.992 164 S CB 1.822 65.019 63.200 -0.005 0.000 0.935 164 S HN 0.486 nan 8.310 nan 0.000 0.564 165 R N 0.312 120.824 120.500 0.019 0.000 2.140 165 R HA 0.026 4.394 4.340 0.046 0.000 0.213 165 R C 1.280 177.602 176.300 0.037 0.000 1.059 165 R CA 0.976 57.092 56.100 0.027 0.000 1.000 165 R CB -0.087 30.228 30.300 0.026 0.000 0.910 165 R HN 0.902 nan 8.270 nan 0.000 0.455 166 E N -0.749 119.473 120.200 0.037 0.000 2.481 166 E HA 0.095 4.472 4.350 0.046 0.000 0.198 166 E C -0.309 176.342 176.600 0.085 0.000 1.027 166 E CA 0.197 56.635 56.400 0.063 0.000 0.900 166 E CB 1.147 30.886 29.700 0.066 0.000 0.993 166 E HN 0.188 nan 8.360 nan 0.000 0.482 167 A N 2.429 125.271 122.820 0.037 0.000 3.422 167 A HA 0.341 4.689 4.320 0.046 0.000 0.271 167 A C -2.278 175.304 177.584 -0.002 0.000 1.104 167 A CA -0.839 51.203 52.037 0.009 0.000 0.899 167 A CB 0.782 19.699 19.000 -0.138 0.000 1.309 167 A HN -0.076 nan 8.150 nan 0.000 0.580 168 P HA 0.179 nan 4.420 nan 0.000 0.242 168 P C 0.925 178.242 177.300 0.027 0.000 1.197 168 P CA 1.640 64.756 63.100 0.028 0.000 0.765 168 P CB 0.057 31.783 31.700 0.043 0.000 0.936 169 G N 1.149 109.962 108.800 0.021 0.000 2.758 169 G HA2 -0.216 3.772 3.960 0.046 0.000 0.686 169 G HA3 -0.216 3.772 3.960 0.046 0.000 0.686 169 G C -0.032 174.872 174.900 0.007 0.000 1.389 169 G CA -0.277 44.840 45.100 0.029 0.000 0.845 169 G HN 0.162 nan 8.290 nan 0.000 0.572 170 N N -2.481 116.227 118.700 0.013 0.000 2.800 170 N HA -0.280 4.488 4.740 0.046 0.000 0.250 170 N C 1.832 177.220 175.510 -0.203 0.000 1.078 170 N CA 2.431 55.431 53.050 -0.082 0.000 0.804 170 N CB -1.757 36.614 38.487 -0.194 0.000 1.135 170 N HN 1.893 nan 8.380 nan 0.000 0.565 171 V N -2.681 117.100 119.914 -0.221 0.000 2.427 171 V HA -0.009 4.138 4.120 0.046 0.000 0.248 171 V C 2.395 178.380 176.094 -0.181 0.000 1.051 171 V CA 2.303 64.518 62.300 -0.141 0.000 1.048 171 V CB -1.062 30.726 31.823 -0.059 0.000 0.666 171 V HN 0.264 nan 8.190 nan 0.000 0.456 172 G N 0.573 109.092 108.800 -0.467 0.000 2.475 172 G HA2 -0.197 3.790 3.960 0.046 0.000 0.220 172 G HA3 -0.197 3.790 3.960 0.046 0.000 0.220 172 G C 1.574 176.470 174.900 -0.006 0.000 1.125 172 G CA 1.381 46.334 45.100 -0.245 0.000 0.755 172 G HN 0.556 nan 8.290 nan 0.000 0.565 173 L N -0.344 120.823 121.223 -0.093 0.000 2.156 173 L HA 0.118 4.486 4.340 0.046 0.000 0.208 173 L C 2.759 179.655 176.870 0.045 0.000 1.095 173 L CA 0.277 55.026 54.840 -0.152 0.000 0.770 173 L CB -0.273 41.368 42.059 -0.697 0.000 0.914 173 L HN 0.176 nan 8.230 nan 0.000 0.439 174 L N -0.607 120.652 121.223 0.059 0.000 2.217 174 L HA -0.164 4.203 4.340 0.046 0.000 0.211 174 L C 2.057 179.048 176.870 0.202 0.000 1.107 174 L CA 0.616 55.580 54.840 0.207 0.000 0.783 174 L CB -0.526 41.635 42.059 0.171 0.000 0.919 174 L HN 0.230 nan 8.230 nan 0.000 0.442 175 D N 0.128 120.636 120.400 0.179 0.000 2.092 175 D HA -0.204 4.463 4.640 0.046 0.000 0.193 175 D C 2.286 178.725 176.300 0.231 0.000 0.994 175 D CA 1.234 55.407 54.000 0.289 0.000 0.828 175 D CB -0.155 40.830 40.800 0.308 0.000 0.963 175 D HN 0.351 nan 8.370 nan 0.000 0.450 176 Q N 0.103 119.979 119.800 0.127 0.000 2.030 176 Q HA -0.173 4.194 4.340 0.046 0.000 0.204 176 Q C 2.304 178.294 176.000 -0.016 0.000 0.986 176 Q CA 1.279 57.081 55.803 -0.002 0.000 0.843 176 Q CB -0.126 28.631 28.738 0.032 0.000 0.904 176 Q HN 0.193 nan 8.270 nan 0.000 0.420 177 R N 0.454 121.058 120.500 0.173 0.000 2.103 177 R HA -0.209 4.159 4.340 0.046 0.000 0.242 177 R C 2.217 178.567 176.300 0.084 0.000 1.142 177 R CA 1.238 57.426 56.100 0.147 0.000 0.960 177 R CB -0.289 30.197 30.300 0.309 0.000 0.858 177 R HN 0.212 nan 8.270 nan 0.000 0.439 178 L N 0.701 121.999 121.223 0.125 0.000 2.012 178 L HA -0.106 4.262 4.340 0.046 0.000 0.210 178 L C 2.339 179.225 176.870 0.028 0.000 1.073 178 L CA 2.228 57.163 54.840 0.160 0.000 0.748 178 L CB -0.883 41.370 42.059 0.323 0.000 0.891 178 L HN 0.286 nan 8.230 nan 0.000 0.431 179 A N -0.978 121.631 122.820 -0.353 0.000 1.940 179 A HA -0.206 4.142 4.320 0.046 0.000 0.219 179 A C 2.134 179.646 177.584 -0.120 0.000 1.176 179 A CA 1.971 53.651 52.037 -0.596 0.000 0.631 179 A CB -0.845 17.596 19.000 -0.932 0.000 0.814 179 A HN 0.424 nan 8.150 nan 0.000 0.446 180 L N -0.652 120.514 121.223 -0.094 0.000 2.083 180 L HA -0.188 4.180 4.340 0.046 0.000 0.209 180 L C 2.629 179.539 176.870 0.066 0.000 1.083 180 L CA 2.071 56.900 54.840 -0.018 0.000 0.752 180 L CB -0.954 41.051 42.059 -0.089 0.000 0.899 180 L HN 0.465 nan 8.230 nan 0.000 0.433 181 Q N -2.303 117.551 119.800 0.089 0.000 2.079 181 Q HA -0.251 4.117 4.340 0.046 0.000 0.200 181 Q C 2.122 178.212 176.000 0.150 0.000 0.974 181 Q CA 1.814 57.682 55.803 0.109 0.000 0.840 181 Q CB -0.330 28.480 28.738 0.120 0.000 0.898 181 Q HN 0.568 nan 8.270 nan 0.000 0.430 182 W N -0.197 121.116 121.300 0.021 0.000 2.338 182 W HA -0.230 4.458 4.660 0.046 0.000 0.304 182 W C 1.774 178.323 176.519 0.050 0.000 1.212 182 W CA 1.340 58.719 57.345 0.056 0.000 1.264 182 W CB -0.155 29.343 29.460 0.063 0.000 1.142 182 W HN -0.108 nan 8.180 nan 0.000 0.512 183 V N 0.722 120.842 119.914 0.343 0.000 2.287 183 V HA -0.360 3.787 4.120 0.046 0.000 0.248 183 V C 2.529 178.645 176.094 0.035 0.000 1.053 183 V CA 2.094 64.516 62.300 0.203 0.000 1.027 183 V CB -1.051 30.894 31.823 0.203 0.000 0.646 183 V HN 0.184 nan 8.190 nan 0.000 0.447 184 Q N -0.147 119.676 119.800 0.039 0.000 2.135 184 Q HA -0.221 4.147 4.340 0.046 0.000 0.204 184 Q C 2.167 178.140 176.000 -0.046 0.000 0.981 184 Q CA 1.730 57.541 55.803 0.014 0.000 0.856 184 Q CB -0.270 28.482 28.738 0.024 0.000 0.902 184 Q HN 0.732 nan 8.270 nan 0.000 0.425 185 E N -0.745 119.386 120.200 -0.115 0.000 2.318 185 E HA 0.033 4.410 4.350 0.046 0.000 0.193 185 E C 1.124 177.562 176.600 -0.269 0.000 0.998 185 E CA 0.176 56.474 56.400 -0.170 0.000 0.859 185 E CB 0.357 29.956 29.700 -0.169 0.000 0.812 185 E HN 0.301 nan 8.360 nan 0.000 0.492 186 N N -0.231 118.228 118.700 -0.401 0.000 2.266 186 N HA 0.028 4.795 4.740 0.046 0.000 0.217 186 N C 1.404 176.832 175.510 -0.137 0.000 1.211 186 N CA 0.058 52.825 53.050 -0.472 0.000 0.881 186 N CB 0.518 38.275 38.487 -1.217 0.000 1.153 186 N HN 0.023 nan 8.380 nan 0.000 0.489 187 I N 2.585 123.119 120.570 -0.058 0.000 2.454 187 I HA -0.096 4.102 4.170 0.046 0.000 0.254 187 I C 2.185 178.420 176.117 0.196 0.000 1.156 187 I CA 0.598 61.990 61.300 0.153 0.000 1.433 187 I CB -0.282 37.778 38.000 0.101 0.000 1.082 187 I HN 0.064 nan 8.210 nan 0.000 0.432 188 A N 0.277 123.138 122.820 0.069 0.000 1.986 188 A HA -0.194 4.154 4.320 0.046 0.000 0.220 188 A C 2.467 180.055 177.584 0.007 0.000 1.171 188 A CA 1.773 53.831 52.037 0.034 0.000 0.640 188 A CB -1.101 17.893 19.000 -0.011 0.000 0.811 188 A HN 0.474 nan 8.150 nan 0.000 0.451 189 A N -1.687 121.104 122.820 -0.049 0.000 2.067 189 A HA 0.125 4.472 4.320 0.046 0.000 0.219 189 A C 1.560 178.942 177.584 -0.337 0.000 1.158 189 A CA 1.172 53.071 52.037 -0.231 0.000 0.661 189 A CB -0.591 18.177 19.000 -0.386 0.000 0.801 189 A HN 0.502 nan 8.150 nan 0.000 0.452 190 F N -1.417 118.477 119.950 -0.093 0.000 2.727 190 F HA 0.379 4.934 4.527 0.046 0.000 0.302 190 F C 1.788 177.585 175.800 -0.005 0.000 1.097 190 F CA 0.452 58.406 58.000 -0.077 0.000 1.330 190 F CB 0.224 39.184 39.000 -0.067 0.000 1.084 190 F HN 0.314 nan 8.300 nan 0.000 0.578 191 G N 0.315 109.205 108.800 0.149 0.000 2.141 191 G HA2 -0.170 3.818 3.960 0.046 0.000 0.231 191 G HA3 -0.170 3.818 3.960 0.046 0.000 0.231 191 G C 0.660 175.629 174.900 0.115 0.000 0.984 191 G CA -0.293 44.869 45.100 0.103 0.000 0.660 191 G HN 0.716 nan 8.290 nan 0.000 0.525 192 G N -0.542 108.347 108.800 0.148 0.000 2.539 192 G HA2 0.452 4.440 3.960 0.046 0.000 0.258 192 G HA3 0.452 4.440 3.960 0.046 0.000 0.258 192 G C -0.595 174.353 174.900 0.081 0.000 1.202 192 G CA 0.346 45.518 45.100 0.119 0.000 0.851 192 G HN 0.239 nan 8.290 nan 0.000 0.556 193 D N 0.979 121.418 120.400 0.065 0.000 2.412 193 D HA 0.301 4.969 4.640 0.046 0.000 0.224 193 D C -1.252 175.082 176.300 0.057 0.000 1.093 193 D CA -2.359 51.664 54.000 0.038 0.000 0.850 193 D CB 1.920 42.726 40.800 0.009 0.000 1.046 193 D HN 0.041 nan 8.370 nan 0.000 0.507 194 P HA -0.043 nan 4.420 nan 0.000 0.230 194 P C 1.208 178.613 177.300 0.174 0.000 1.158 194 P CA 0.520 63.684 63.100 0.106 0.000 0.769 194 P CB 0.226 31.966 31.700 0.067 0.000 0.807 195 M N -1.219 118.413 119.600 0.054 0.000 2.561 195 M HA 0.084 4.591 4.480 0.046 0.000 0.238 195 M C 0.482 176.459 176.300 -0.538 0.000 1.131 195 M CA 0.445 55.685 55.300 -0.100 0.000 1.046 195 M CB 0.178 32.715 32.600 -0.105 0.000 1.532 195 M HN -0.196 nan 8.290 nan 0.000 0.497 196 S N 0.718 116.290 115.700 -0.212 0.000 2.383 196 S HA 0.435 4.932 4.470 0.046 0.000 0.196 196 S C -1.096 173.592 174.600 0.146 0.000 1.364 196 S CA -0.522 57.568 58.200 -0.184 0.000 1.212 196 S CB 0.629 63.740 63.200 -0.148 0.000 1.171 196 S HN -0.026 nan 8.310 nan 0.000 0.456 197 V N 4.486 124.698 119.914 0.497 0.000 2.407 197 V HA 0.507 4.655 4.120 0.046 0.000 0.291 197 V C -0.108 176.168 176.094 0.303 0.000 1.018 197 V CA -0.480 62.019 62.300 0.331 0.000 0.842 197 V CB 1.898 33.888 31.823 0.278 0.000 0.996 197 V HN 0.768 nan 8.190 nan 0.000 0.426 198 T N 6.591 121.267 114.554 0.203 0.000 2.758 198 T HA 0.586 4.963 4.350 0.046 0.000 0.285 198 T C -0.105 174.726 174.700 0.219 0.000 0.981 198 T CA -0.354 61.864 62.100 0.198 0.000 0.965 198 T CB 0.853 69.788 68.868 0.112 0.000 0.927 198 T HN 0.324 nan 8.240 nan 0.000 0.448 199 L N 4.618 125.942 121.223 0.167 0.000 2.371 199 L HA 0.647 5.015 4.340 0.046 0.000 0.272 199 L C -0.321 176.754 176.870 0.341 0.000 1.124 199 L CA -0.670 54.239 54.840 0.114 0.000 0.816 199 L CB 0.295 42.197 42.059 -0.262 0.000 1.129 199 L HN 0.654 nan 8.230 nan 0.000 0.448 200 F N 0.241 120.227 119.950 0.060 0.000 2.631 200 F HA 0.931 5.485 4.527 0.046 0.000 0.308 200 F C -0.409 175.329 175.800 -0.103 0.000 1.097 200 F CA -1.442 56.628 58.000 0.117 0.000 0.952 200 F CB 1.473 40.691 39.000 0.363 0.000 1.307 200 F HN 0.486 nan 8.300 nan 0.000 0.450 201 G N 1.061 109.671 108.800 -0.316 0.000 2.601 201 G HA2 0.497 4.485 3.960 0.046 0.000 0.291 201 G HA3 0.497 4.485 3.960 0.046 0.000 0.291 201 G C -2.472 172.162 174.900 -0.443 0.000 1.456 201 G CA -0.719 43.816 45.100 -0.942 0.000 0.804 201 G HN 0.903 nan 8.290 nan 0.000 0.499 205 G N 0.703 109.270 108.800 -0.388 0.000 2.440 205 G HA2 0.051 4.039 3.960 0.046 0.000 0.218 205 G HA3 0.051 4.039 3.960 0.046 0.000 0.218 205 G C 1.661 176.370 174.900 -0.319 0.000 1.154 205 G CA 2.028 46.858 45.100 -0.449 0.000 0.767 205 G HN 1.291 nan 8.290 nan 0.000 0.552 206 A N 1.157 123.866 122.820 -0.186 0.000 1.873 206 A HA 0.314 4.662 4.320 0.046 0.000 0.215 206 A C 2.837 180.390 177.584 -0.051 0.000 1.186 206 A CA 2.181 54.169 52.037 -0.081 0.000 0.616 206 A CB -0.844 18.165 19.000 0.015 0.000 0.823 206 A HN 0.846 nan 8.150 nan 0.000 0.442 207 A N -0.381 122.434 122.820 -0.007 0.000 1.978 207 A HA -0.090 4.258 4.320 0.046 0.000 0.220 207 A C 2.417 180.005 177.584 0.006 0.000 1.170 207 A CA 2.146 54.178 52.037 -0.007 0.000 0.636 207 A CB -0.781 18.237 19.000 0.030 0.000 0.810 207 A HN 0.464 nan 8.150 nan 0.000 0.448 208 S N -0.392 115.298 115.700 -0.016 0.000 2.345 208 S HA -0.126 4.372 4.470 0.046 0.000 0.220 208 S C 1.918 176.475 174.600 -0.071 0.000 1.031 208 S CA 1.376 59.530 58.200 -0.076 0.000 0.996 208 S CB -0.601 62.493 63.200 -0.177 0.000 0.882 208 S HN 0.366 nan 8.310 nan 0.000 0.445 209 V N 2.028 121.901 119.914 -0.069 0.000 2.282 209 V HA -0.220 3.928 4.120 0.046 0.000 0.249 209 V C 2.664 178.741 176.094 -0.028 0.000 1.057 209 V CA 2.064 64.325 62.300 -0.064 0.000 1.032 209 V CB -1.664 30.096 31.823 -0.105 0.000 0.645 209 V HN 0.601 nan 8.190 nan 0.000 0.447 210 G N -0.998 107.783 108.800 -0.032 0.000 2.440 210 G HA2 -0.302 3.686 3.960 0.046 0.000 0.218 210 G HA3 -0.302 3.686 3.960 0.046 0.000 0.218 210 G C 1.635 176.547 174.900 0.020 0.000 1.154 210 G CA 1.232 46.321 45.100 -0.018 0.000 0.767 210 G HN 0.453 nan 8.290 nan 0.000 0.552 211 M N -0.258 119.337 119.600 -0.008 0.000 2.229 211 M HA 0.016 4.524 4.480 0.046 0.000 0.264 211 M C 2.309 178.673 176.300 0.107 0.000 1.063 211 M CA 0.888 56.213 55.300 0.042 0.000 1.114 211 M CB -0.173 32.418 32.600 -0.015 0.000 1.387 211 M HN 0.227 nan 8.290 nan 0.000 0.420 212 H N -0.309 118.865 119.070 0.172 0.000 2.423 212 H HA -0.014 4.570 4.556 0.046 0.000 0.297 212 H C 2.120 177.632 175.328 0.305 0.000 1.075 212 H CA 1.445 57.603 56.048 0.185 0.000 1.342 212 H CB -0.293 29.459 29.762 -0.016 0.000 1.395 212 H HN 0.410 nan 8.280 nan 0.000 0.530 213 I N 0.752 121.559 120.570 0.394 0.000 2.226 213 I HA -0.246 3.952 4.170 0.046 0.000 0.245 213 I C 1.818 178.110 176.117 0.291 0.000 1.100 213 I CA 1.132 62.681 61.300 0.415 0.000 1.374 213 I CB -0.114 38.040 38.000 0.255 0.000 1.057 213 I HN 0.101 nan 8.210 nan 0.000 0.413 214 L N -0.749 120.597 121.223 0.205 0.000 2.591 214 L HA 0.106 4.473 4.340 0.046 0.000 0.228 214 L C 0.814 177.724 176.870 0.066 0.000 1.133 214 L CA 0.017 54.955 54.840 0.163 0.000 0.880 214 L CB -0.071 42.067 42.059 0.132 0.000 1.033 214 L HN 0.024 nan 8.230 nan 0.000 0.450 215 S N -0.319 115.386 115.700 0.010 0.000 2.498 215 S HA 0.274 4.772 4.470 0.046 0.000 0.317 215 S C 0.507 175.030 174.600 -0.128 0.000 1.090 215 S CA -0.658 57.427 58.200 -0.192 0.000 1.089 215 S CB 1.649 64.429 63.200 -0.700 0.000 0.997 215 S HN 0.163 nan 8.310 nan 0.000 0.470 216 L N 7.542 128.694 121.223 -0.118 0.000 2.017 216 L HA 0.188 4.556 4.340 0.046 0.000 0.208 216 L C -1.127 175.695 176.870 -0.079 0.000 1.073 216 L CA 1.930 56.724 54.840 -0.077 0.000 0.745 216 L CB -1.064 40.953 42.059 -0.070 0.000 0.894 216 L HN 0.485 nan 8.230 nan 0.000 0.432 217 P HA -0.117 nan 4.420 nan 0.000 0.218 217 P C 1.682 178.968 177.300 -0.023 0.000 1.146 217 P CA 1.485 64.544 63.100 -0.069 0.000 0.813 217 P CB -0.010 31.639 31.700 -0.086 0.000 0.778 218 S N -1.104 114.597 115.700 0.002 0.000 2.436 218 S HA -0.023 4.475 4.470 0.046 0.000 0.228 218 S C 1.814 176.512 174.600 0.163 0.000 1.014 218 S CA 0.557 58.855 58.200 0.164 0.000 0.950 218 S CB -0.405 63.023 63.200 0.380 0.000 0.784 218 S HN 0.082 nan 8.310 nan 0.000 0.504 219 R N 1.886 122.396 120.500 0.017 0.000 2.193 219 R HA 0.002 4.370 4.340 0.046 0.000 0.229 219 R C 1.980 178.082 176.300 -0.330 0.000 1.110 219 R CA 1.144 57.112 56.100 -0.220 0.000 0.988 219 R CB -0.932 29.277 30.300 -0.152 0.000 0.871 219 R HN 0.548 nan 8.270 nan 0.000 0.458 220 S N -0.561 115.036 115.700 -0.171 0.000 2.605 220 S HA 0.150 4.648 4.470 0.046 0.000 0.217 220 S C 1.561 176.068 174.600 -0.154 0.000 0.958 220 S CA -0.126 57.976 58.200 -0.164 0.000 0.919 220 S CB -0.045 63.104 63.200 -0.084 0.000 0.780 220 S HN 0.184 nan 8.310 nan 0.000 0.507 221 L N 0.284 121.439 121.223 -0.112 0.000 2.664 221 L HA 0.490 4.858 4.340 0.046 0.000 0.233 221 L C 0.031 176.917 176.870 0.026 0.000 1.113 221 L CA -0.246 54.594 54.840 -0.000 0.000 0.896 221 L CB 0.045 42.158 42.059 0.090 0.000 1.163 221 L HN 0.514 nan 8.230 nan 0.000 0.497 222 F N -4.022 115.729 119.950 -0.331 0.000 2.711 222 F HA 0.479 5.034 4.527 0.046 0.000 0.313 222 F C 0.469 175.914 175.800 -0.592 0.000 1.141 222 F CA -0.992 56.770 58.000 -0.396 0.000 0.941 222 F CB 0.817 39.736 39.000 -0.134 0.000 1.349 222 F HN -0.143 nan 8.300 nan 0.000 0.464 223 H N -0.643 118.473 119.070 0.076 0.000 3.205 223 H HA 0.460 5.043 4.556 0.046 0.000 0.252 223 H C -0.112 175.242 175.328 0.044 0.000 1.015 223 H CA -0.035 55.985 56.048 -0.046 0.000 1.192 223 H CB 1.008 30.748 29.762 -0.037 0.000 1.474 223 H HN 0.434 nan 8.280 nan 0.000 0.484 224 R N 0.156 120.850 120.500 0.323 0.000 2.739 224 R HA 0.710 5.077 4.340 0.046 0.000 0.271 224 R C -1.455 175.101 176.300 0.426 0.000 1.010 224 R CA -0.661 55.604 56.100 0.275 0.000 0.897 224 R CB 2.912 33.189 30.300 -0.038 0.000 1.236 224 R HN 0.145 nan 8.270 nan 0.000 0.466 225 A N 1.106 124.184 122.820 0.429 0.000 2.515 225 A HA 0.726 5.073 4.320 0.046 0.000 0.298 225 A C -1.478 176.255 177.584 0.247 0.000 1.059 225 A CA -0.603 51.612 52.037 0.296 0.000 0.698 225 A CB 1.955 21.091 19.000 0.227 0.000 1.289 225 A HN 0.298 nan 8.150 nan 0.000 0.404 226 V N 1.951 121.965 119.914 0.167 0.000 2.577 226 V HA 0.509 4.656 4.120 0.046 0.000 0.303 226 V C -1.286 174.883 176.094 0.124 0.000 1.042 226 V CA -0.311 62.027 62.300 0.064 0.000 0.872 226 V CB 1.378 33.263 31.823 0.102 0.000 0.998 226 V HN 0.692 nan 8.190 nan 0.000 0.423 227 L N 5.108 126.375 121.223 0.074 0.000 2.345 227 L HA 0.546 4.914 4.340 0.046 0.000 0.274 227 L C -0.055 176.898 176.870 0.138 0.000 0.999 227 L CA -0.038 54.843 54.840 0.070 0.000 0.849 227 L CB 1.612 43.672 42.059 0.000 0.000 1.220 227 L HN 0.635 nan 8.230 nan 0.000 0.422 228 Q N 1.821 121.753 119.800 0.220 0.000 2.314 228 Q HA 0.469 4.837 4.340 0.046 0.000 0.259 228 Q C 0.225 176.340 176.000 0.191 0.000 0.951 228 Q CA -0.607 55.385 55.803 0.315 0.000 0.909 228 Q CB 1.385 30.405 28.738 0.470 0.000 1.236 228 Q HN 0.601 nan 8.270 nan 0.000 0.444 229 S N 0.927 116.727 115.700 0.167 0.000 3.549 229 S HA -0.173 4.325 4.470 0.046 0.000 0.366 229 S C 0.091 174.848 174.600 0.261 0.000 1.012 229 S CA 0.565 58.880 58.200 0.193 0.000 1.141 229 S CB -1.267 62.053 63.200 0.200 0.000 0.910 229 S HN 1.011 nan 8.310 nan 0.000 0.471 230 G N -0.597 108.322 108.800 0.198 0.000 2.519 230 G HA2 0.641 4.629 3.960 0.046 0.000 0.292 230 G HA3 0.641 4.629 3.960 0.046 0.000 0.292 230 G C -0.946 174.020 174.900 0.110 0.000 1.507 230 G CA 0.144 45.416 45.100 0.285 0.000 0.806 230 G HN 1.008 nan 8.290 nan 0.000 0.523 231 T N -1.495 113.079 114.554 0.034 0.000 2.889 231 T HA 0.729 5.107 4.350 0.046 0.000 0.315 231 T C -2.381 172.187 174.700 -0.220 0.000 1.291 231 T CA -1.231 60.808 62.100 -0.102 0.000 1.028 231 T CB 2.932 71.724 68.868 -0.126 0.000 1.235 231 T HN 0.298 nan 8.240 nan 0.000 0.491 232 P HA -0.026 nan 4.420 nan 0.000 0.220 232 P C 0.369 177.515 177.300 -0.256 0.000 1.152 232 P CA 0.716 63.698 63.100 -0.197 0.000 0.812 232 P CB -0.124 31.513 31.700 -0.106 0.000 0.792 233 N N 0.691 119.260 118.700 -0.218 0.000 2.317 233 N HA 0.256 5.024 4.740 0.046 0.000 0.245 233 N C 0.852 176.165 175.510 -0.329 0.000 1.294 233 N CA 0.769 53.688 53.050 -0.217 0.000 0.924 233 N CB -0.034 38.366 38.487 -0.144 0.000 1.186 233 N HN 0.232 nan 8.380 nan 0.000 0.495 234 G N -0.857 107.769 108.800 -0.291 0.000 2.592 234 G HA2 -0.128 3.859 3.960 0.046 0.000 0.684 234 G HA3 -0.128 3.859 3.960 0.046 0.000 0.684 234 G C -2.147 172.525 174.900 -0.379 0.000 1.291 234 G CA -0.186 44.699 45.100 -0.358 0.000 0.891 234 G HN 0.536 nan 8.290 nan 0.000 0.544 235 P HA 0.099 nan 4.420 nan 0.000 0.231 235 P C 1.437 178.683 177.300 -0.089 0.000 1.168 235 P CA 2.144 65.125 63.100 -0.198 0.000 0.779 235 P CB -0.038 31.511 31.700 -0.252 0.000 0.844 236 W N -1.650 119.580 121.300 -0.116 0.000 2.865 236 W HA 0.591 5.279 4.660 0.046 0.000 0.300 236 W C 1.049 177.647 176.519 0.133 0.000 1.096 236 W CA 0.441 57.794 57.345 0.014 0.000 1.524 236 W CB -0.686 28.826 29.460 0.087 0.000 0.991 236 W HN -0.166 nan 8.180 nan 0.000 0.571 237 A N 1.892 124.374 122.820 -0.564 0.000 2.081 237 A HA 0.155 4.503 4.320 0.046 0.000 0.214 237 A C 1.151 178.561 177.584 -0.289 0.000 1.158 237 A CA 1.705 53.459 52.037 -0.473 0.000 0.724 237 A CB -0.750 17.696 19.000 -0.923 0.000 0.826 237 A HN 0.191 nan 8.150 nan 0.000 0.463 238 T N -2.598 111.805 114.554 -0.252 0.000 2.916 238 T HA 0.649 5.027 4.350 0.046 0.000 0.292 238 T C -0.525 174.095 174.700 -0.133 0.000 1.064 238 T CA -0.131 61.843 62.100 -0.209 0.000 1.011 238 T CB 1.506 70.263 68.868 -0.185 0.000 1.152 238 T HN 0.782 nan 8.240 nan 0.000 0.510 239 V N -1.268 118.577 119.914 -0.115 0.000 3.102 239 V HA 0.904 5.051 4.120 0.046 0.000 0.312 239 V C 0.233 176.288 176.094 -0.065 0.000 1.135 239 V CA -1.038 61.215 62.300 -0.079 0.000 1.022 239 V CB 1.352 33.131 31.823 -0.074 0.000 1.056 239 V HN 1.313 nan 8.190 nan 0.000 0.436 240 S N 1.164 116.834 115.700 -0.050 0.000 2.632 240 S HA 0.651 5.149 4.470 0.046 0.000 0.267 240 S C 1.391 175.974 174.600 -0.029 0.000 1.276 240 S CA 0.048 58.226 58.200 -0.037 0.000 0.998 240 S CB 1.291 64.472 63.200 -0.032 0.000 0.953 240 S HN 1.903 nan 8.310 nan 0.000 0.547 241 A N 2.136 124.945 122.820 -0.019 0.000 1.892 241 A HA 0.024 4.371 4.320 0.046 0.000 0.218 241 A C 2.264 179.840 177.584 -0.014 0.000 1.188 241 A CA 2.116 54.146 52.037 -0.012 0.000 0.631 241 A CB -1.999 16.998 19.000 -0.006 0.000 0.822 241 A HN 1.243 nan 8.150 nan 0.000 0.447 242 G N -0.612 108.179 108.800 -0.016 0.000 2.469 242 G HA2 -0.296 3.692 3.960 0.046 0.000 0.219 242 G HA3 -0.296 3.692 3.960 0.046 0.000 0.219 242 G C 1.482 176.369 174.900 -0.021 0.000 1.150 242 G CA 1.545 46.635 45.100 -0.017 0.000 0.763 242 G HN 0.643 nan 8.290 nan 0.000 0.561 243 E N 0.507 120.690 120.200 -0.028 0.000 2.299 243 E HA 0.287 4.665 4.350 0.046 0.000 0.193 243 E C 2.513 179.085 176.600 -0.046 0.000 0.998 243 E CA 1.098 57.475 56.400 -0.038 0.000 0.851 243 E CB -0.316 29.357 29.700 -0.045 0.000 0.795 243 E HN 0.278 nan 8.360 nan 0.000 0.492 244 A N 1.002 123.803 122.820 -0.032 0.000 1.897 244 A HA -0.112 4.236 4.320 0.046 0.000 0.215 244 A C 2.261 179.852 177.584 0.013 0.000 1.181 244 A CA 1.470 53.501 52.037 -0.010 0.000 0.620 244 A CB -0.559 18.449 19.000 0.013 0.000 0.821 244 A HN 0.261 nan 8.150 nan 0.000 0.443 245 R N -0.422 120.078 120.500 -0.000 0.000 2.105 245 R HA -0.165 4.202 4.340 0.046 0.000 0.239 245 R C 2.433 178.732 176.300 -0.002 0.000 1.135 245 R CA 1.763 57.861 56.100 -0.003 0.000 0.967 245 R CB -0.291 30.004 30.300 -0.010 0.000 0.861 245 R HN 0.525 nan 8.270 nan 0.000 0.442 246 R N 0.418 120.912 120.500 -0.010 0.000 2.066 246 R HA -0.092 4.275 4.340 0.046 0.000 0.232 246 R C 2.156 178.452 176.300 -0.005 0.000 1.131 246 R CA 1.538 57.631 56.100 -0.011 0.000 0.955 246 R CB -0.069 30.219 30.300 -0.020 0.000 0.851 246 R HN 0.262 nan 8.270 nan 0.000 0.432 247 R N -0.050 120.437 120.500 -0.020 0.000 2.092 247 R HA -0.033 4.335 4.340 0.046 0.000 0.231 247 R C 2.351 178.728 176.300 0.128 0.000 1.119 247 R CA 1.241 57.325 56.100 -0.027 0.000 0.970 247 R CB -0.302 29.853 30.300 -0.241 0.000 0.864 247 R HN 0.229 nan 8.270 nan 0.000 0.440 248 A N 0.887 123.795 122.820 0.146 0.000 1.858 248 A HA -0.197 4.151 4.320 0.046 0.000 0.216 248 A C 2.331 179.932 177.584 0.028 0.000 1.190 248 A CA 2.120 54.228 52.037 0.119 0.000 0.617 248 A CB -1.128 17.882 19.000 0.017 0.000 0.827 248 A HN 0.455 nan 8.150 nan 0.000 0.443 249 T N -1.882 112.676 114.554 0.008 0.000 2.962 249 T HA -0.087 4.291 4.350 0.046 0.000 0.270 249 T C 1.688 176.390 174.700 0.003 0.000 1.088 249 T CA 1.554 63.650 62.100 -0.008 0.000 1.127 249 T CB -0.331 68.529 68.868 -0.012 0.000 0.883 249 T HN 0.231 nan 8.240 nan 0.000 0.493 250 L N 0.170 121.406 121.223 0.022 0.000 2.131 250 L HA 0.364 4.732 4.340 0.046 0.000 0.206 250 L C 2.187 179.079 176.870 0.036 0.000 1.087 250 L CA 1.280 56.135 54.840 0.025 0.000 0.767 250 L CB -0.895 41.182 42.059 0.029 0.000 0.917 250 L HN 0.373 nan 8.230 nan 0.000 0.441 251 L N -0.175 121.093 121.223 0.075 0.000 2.056 251 L HA -0.018 4.349 4.340 0.046 0.000 0.207 251 L C 2.479 179.347 176.870 -0.004 0.000 1.078 251 L CA 1.853 56.738 54.840 0.076 0.000 0.749 251 L CB -0.738 41.409 42.059 0.147 0.000 0.901 251 L HN 0.240 nan 8.230 nan 0.000 0.433 252 A N -0.394 122.416 122.820 -0.017 0.000 1.933 252 A HA -0.237 4.111 4.320 0.046 0.000 0.218 252 A C 2.525 180.088 177.584 -0.034 0.000 1.175 252 A CA 1.765 53.783 52.037 -0.033 0.000 0.628 252 A CB -0.672 18.304 19.000 -0.040 0.000 0.814 252 A HN 0.490 nan 8.150 nan 0.000 0.444 253 R N -0.396 120.085 120.500 -0.030 0.000 2.073 253 R HA -0.050 4.318 4.340 0.046 0.000 0.234 253 R C 1.919 178.178 176.300 -0.068 0.000 1.134 253 R CA 1.480 57.559 56.100 -0.035 0.000 0.952 253 R CB -0.427 29.859 30.300 -0.023 0.000 0.850 253 R HN 0.555 nan 8.270 nan 0.000 0.433 254 L N 0.886 122.044 121.223 -0.109 0.000 2.353 254 L HA -0.109 4.258 4.340 0.046 0.000 0.220 254 L C 1.920 178.598 176.870 -0.319 0.000 1.133 254 L CA 0.762 55.443 54.840 -0.264 0.000 0.798 254 L CB -0.028 41.809 42.059 -0.370 0.000 0.922 254 L HN 0.207 nan 8.230 nan 0.000 0.445 255 V N -5.018 114.808 119.914 -0.146 0.000 3.528 255 V HA 0.540 4.687 4.120 0.046 0.000 0.294 255 V C 1.131 177.215 176.094 -0.017 0.000 1.404 255 V CA 0.337 62.603 62.300 -0.057 0.000 1.065 255 V CB 0.275 32.105 31.823 0.011 0.000 0.904 255 V HN 0.364 nan 8.190 nan 0.000 0.435 256 G N -0.455 108.328 108.800 -0.027 0.000 2.148 256 G HA2 -0.194 3.794 3.960 0.046 0.000 0.203 256 G HA3 -0.194 3.794 3.960 0.046 0.000 0.203 256 G C 0.057 174.954 174.900 -0.004 0.000 0.993 256 G CA -0.071 45.023 45.100 -0.009 0.000 0.661 256 G HN 0.689 nan 8.290 nan 0.000 0.518 266 D N 1.538 121.933 120.400 -0.008 0.000 2.092 266 D HA -0.122 4.546 4.640 0.046 0.000 0.193 266 D C 1.450 177.745 176.300 -0.008 0.000 0.994 266 D CA 1.985 55.976 54.000 -0.014 0.000 0.828 266 D CB -0.097 40.695 40.800 -0.014 0.000 0.963 266 D HN 0.609 nan 8.370 nan 0.000 0.450 267 T N 1.143 115.698 114.554 0.001 0.000 2.624 267 T HA -0.198 4.180 4.350 0.046 0.000 0.268 267 T C 1.797 176.506 174.700 0.014 0.000 1.041 267 T CA 1.454 63.561 62.100 0.011 0.000 1.159 267 T CB -0.270 68.606 68.868 0.013 0.000 0.863 267 T HN 0.295 nan 8.240 nan 0.000 0.434 268 E N 0.193 120.398 120.200 0.009 0.000 2.152 268 E HA 0.007 4.384 4.350 0.046 0.000 0.192 268 E C 2.236 178.841 176.600 0.009 0.000 0.983 268 E CA 0.441 56.848 56.400 0.010 0.000 0.818 268 E CB -0.196 29.508 29.700 0.007 0.000 0.758 268 E HN 0.371 nan 8.360 nan 0.000 0.467 269 L N 0.816 122.038 121.223 -0.002 0.000 2.017 269 L HA -0.186 4.182 4.340 0.046 0.000 0.208 269 L C 2.199 179.064 176.870 -0.008 0.000 1.073 269 L CA 1.227 56.060 54.840 -0.012 0.000 0.745 269 L CB -0.060 41.982 42.059 -0.029 0.000 0.894 269 L HN 0.087 nan 8.230 nan 0.000 0.432 270 I N -0.454 120.112 120.570 -0.006 0.000 2.252 270 I HA -0.255 3.943 4.170 0.046 0.000 0.245 270 I C 2.705 178.885 176.117 0.105 0.000 1.102 270 I CA 1.051 62.367 61.300 0.026 0.000 1.385 270 I CB -0.555 37.460 38.000 0.026 0.000 1.064 270 I HN 0.319 nan 8.210 nan 0.000 0.414 271 A N -0.184 122.677 122.820 0.069 0.000 1.892 271 A HA -0.333 4.015 4.320 0.046 0.000 0.218 271 A C 2.539 180.161 177.584 0.063 0.000 1.188 271 A CA 2.171 54.247 52.037 0.065 0.000 0.631 271 A CB -1.498 17.526 19.000 0.040 0.000 0.822 271 A HN 0.631 nan 8.150 nan 0.000 0.447 272 c N -0.651 117.978 118.600 0.049 0.000 2.425 272 c HA -0.014 4.584 4.570 0.046 0.000 0.277 272 c C 2.617 176.746 174.090 0.065 0.000 1.280 272 c CA 1.084 57.439 56.329 0.043 0.000 1.744 272 c CB -1.642 40.883 42.510 0.026 0.000 1.989 272 c HN 0.587 nan 8.230 nan 0.000 0.491 273 L N 0.314 121.594 121.223 0.095 0.000 2.083 273 L HA -0.120 4.248 4.340 0.046 0.000 0.209 273 L C 2.985 179.977 176.870 0.203 0.000 1.083 273 L CA 1.566 56.503 54.840 0.161 0.000 0.752 273 L CB -0.648 41.524 42.059 0.188 0.000 0.899 273 L HN 0.329 nan 8.230 nan 0.000 0.433 274 R N -0.536 120.079 120.500 0.191 0.000 2.193 274 R HA -0.136 4.232 4.340 0.046 0.000 0.229 274 R C 2.133 178.447 176.300 0.023 0.000 1.110 274 R CA 1.708 57.849 56.100 0.070 0.000 0.988 274 R CB -0.458 29.876 30.300 0.056 0.000 0.871 274 R HN 0.518 nan 8.270 nan 0.000 0.458 275 T N -1.649 112.928 114.554 0.038 0.000 3.100 275 T HA 0.088 4.466 4.350 0.046 0.000 0.253 275 T C 0.841 175.553 174.700 0.020 0.000 1.118 275 T CA -0.056 62.056 62.100 0.020 0.000 1.058 275 T CB 0.179 69.061 68.868 0.023 0.000 0.953 275 T HN -0.120 nan 8.240 nan 0.000 0.515 276 R N 2.802 123.323 120.500 0.035 0.000 2.265 276 R HA 0.380 4.748 4.340 0.046 0.000 0.314 276 R C -2.594 173.719 176.300 0.021 0.000 1.053 276 R CA -2.619 53.502 56.100 0.036 0.000 0.931 276 R CB 0.152 30.486 30.300 0.056 0.000 1.024 276 R HN 0.280 nan 8.270 nan 0.000 0.457 277 P HA -0.120 nan 4.420 nan 0.000 0.266 277 P C 0.425 177.708 177.300 -0.027 0.000 1.180 277 P CA 0.315 63.398 63.100 -0.029 0.000 0.765 277 P CB 0.483 32.174 31.700 -0.014 0.000 0.806 278 A N 2.612 125.339 122.820 -0.155 0.000 1.908 278 A HA -0.264 4.083 4.320 0.046 0.000 0.218 278 A C 2.169 179.744 177.584 -0.015 0.000 1.181 278 A CA 2.096 54.024 52.037 -0.181 0.000 0.627 278 A CB -1.138 17.223 19.000 -1.065 0.000 0.818 278 A HN 0.554 nan 8.150 nan 0.000 0.445 279 Q N -0.126 119.647 119.800 -0.045 0.000 2.297 279 Q HA -0.106 4.262 4.340 0.046 0.000 0.204 279 Q C 1.049 177.157 176.000 0.181 0.000 0.962 279 Q CA 1.604 57.542 55.803 0.226 0.000 0.879 279 Q CB -0.277 28.607 28.738 0.243 0.000 0.947 279 Q HN 0.616 nan 8.270 nan 0.000 0.462 280 D N -0.710 119.763 120.400 0.122 0.000 2.144 280 D HA -0.123 4.544 4.640 0.046 0.000 0.200 280 D C 1.320 177.710 176.300 0.150 0.000 0.978 280 D CA 0.690 54.771 54.000 0.134 0.000 0.833 280 D CB 0.052 40.917 40.800 0.108 0.000 0.961 280 D HN 0.227 nan 8.370 nan 0.000 0.470 281 L N 0.203 121.487 121.223 0.103 0.000 2.044 281 L HA -0.081 4.287 4.340 0.046 0.000 0.205 281 L C 2.443 179.333 176.870 0.033 0.000 1.075 281 L CA 0.907 55.757 54.840 0.016 0.000 0.747 281 L CB -0.851 41.113 42.059 -0.158 0.000 0.903 281 L HN -0.047 nan 8.230 nan 0.000 0.435 282 V N -0.417 119.581 119.914 0.140 0.000 2.407 282 V HA -0.264 3.884 4.120 0.046 0.000 0.248 282 V C 2.135 178.316 176.094 0.144 0.000 1.055 282 V CA 1.489 63.912 62.300 0.205 0.000 1.049 282 V CB -0.594 31.495 31.823 0.442 0.000 0.662 282 V HN 0.380 nan 8.190 nan 0.000 0.455 283 D N -0.772 119.694 120.400 0.111 0.000 2.190 283 D HA -0.161 4.507 4.640 0.046 0.000 0.200 283 D C 1.746 177.845 176.300 -0.335 0.000 0.992 283 D CA 1.371 55.344 54.000 -0.044 0.000 0.854 283 D CB -0.172 40.599 40.800 -0.049 0.000 0.936 283 D HN 0.536 nan 8.370 nan 0.000 0.462 284 H N -0.732 118.311 119.070 -0.046 0.000 2.674 284 H HA 0.163 4.747 4.556 0.046 0.000 0.274 284 H C 1.380 176.619 175.328 -0.147 0.000 1.121 284 H CA -0.145 55.816 56.048 -0.145 0.000 1.132 284 H CB 0.733 30.530 29.762 0.058 0.000 1.606 284 H HN 0.268 nan 8.280 nan 0.000 0.558 285 E N 0.540 120.683 120.200 -0.095 0.000 2.085 285 E HA -0.189 4.189 4.350 0.046 0.000 0.194 285 E C 0.557 176.964 176.600 -0.323 0.000 0.994 285 E CA 1.129 57.427 56.400 -0.170 0.000 0.801 285 E CB 0.097 29.554 29.700 -0.406 0.000 0.743 285 E HN 0.464 nan 8.360 nan 0.000 0.453 286 W N -0.635 120.562 121.300 -0.171 0.000 3.438 286 W HA 0.104 4.792 4.660 0.047 0.000 0.322 286 W C 0.933 177.460 176.519 0.014 0.000 1.261 286 W CA -0.109 57.145 57.345 -0.153 0.000 1.788 286 W CB 0.173 29.487 29.460 -0.243 0.000 1.065 286 W HN 0.204 nan 8.180 nan 0.000 0.715 287 H N -0.830 118.363 119.070 0.204 0.000 2.652 287 H HA 0.041 4.624 4.556 0.046 0.000 0.274 287 H C 1.815 177.205 175.328 0.104 0.000 1.021 287 H CA 0.179 56.330 56.048 0.172 0.000 1.187 287 H CB 0.494 30.396 29.762 0.233 0.000 1.505 287 H HN 0.115 nan 8.280 nan 0.000 0.530 288 V N -1.494 118.511 119.914 0.150 0.000 3.621 288 V HA 0.210 4.358 4.120 0.046 0.000 0.285 288 V C 0.494 176.577 176.094 -0.018 0.000 1.346 288 V CA -0.155 62.169 62.300 0.039 0.000 1.104 288 V CB -0.377 31.425 31.823 -0.035 0.000 0.913 288 V HN 0.112 nan 8.190 nan 0.000 0.432 289 L N 2.535 123.770 121.223 0.019 0.000 2.416 289 L HA 0.273 4.640 4.340 0.046 0.000 0.272 289 L C -0.287 176.590 176.870 0.012 0.000 1.161 289 L CA -1.110 53.732 54.840 0.003 0.000 0.845 289 L CB 0.681 42.768 42.059 0.048 0.000 1.119 289 L HN 0.111 nan 8.230 nan 0.000 0.464 290 P HA -0.112 nan 4.420 nan 0.000 0.220 290 P C -0.222 177.082 177.300 0.006 0.000 1.148 290 P CA 1.166 64.265 63.100 -0.002 0.000 0.803 290 P CB 0.407 32.100 31.700 -0.011 0.000 0.782 291 Q N -1.225 118.581 119.800 0.009 0.000 2.456 291 Q HA 0.319 4.687 4.340 0.046 0.000 0.284 291 Q C -0.621 175.389 176.000 0.016 0.000 1.061 291 Q CA -0.735 55.075 55.803 0.011 0.000 0.799 291 Q CB 1.574 30.316 28.738 0.006 0.000 1.445 291 Q HN -0.033 nan 8.270 nan 0.000 0.411 292 E N 1.154 121.363 120.200 0.015 0.000 2.480 292 E HA 0.264 4.642 4.350 0.046 0.000 0.258 292 E C -0.954 175.650 176.600 0.006 0.000 0.984 292 E CA 0.225 56.634 56.400 0.014 0.000 0.930 292 E CB 0.341 30.049 29.700 0.013 0.000 0.936 292 E HN 0.613 nan 8.360 nan 0.000 0.466 293 S N 3.649 119.349 115.700 -0.000 0.000 2.615 293 S HA 0.634 5.131 4.470 0.046 0.000 0.269 293 S C -0.445 174.140 174.600 -0.025 0.000 1.161 293 S CA -1.014 57.179 58.200 -0.011 0.000 0.817 293 S CB 0.744 63.933 63.200 -0.018 0.000 1.131 293 S HN 0.546 nan 8.310 nan 0.000 0.467 294 I N -2.913 117.644 120.570 -0.020 0.000 3.067 294 I HA 0.787 4.984 4.170 0.046 0.000 0.312 294 I C -0.221 175.861 176.117 -0.059 0.000 1.073 294 I CA -1.311 59.979 61.300 -0.016 0.000 1.016 294 I CB 0.888 38.931 38.000 0.071 0.000 1.227 294 I HN 0.751 nan 8.210 nan 0.000 0.456 295 F N 1.147 120.904 119.950 -0.322 0.000 3.048 295 F HA -0.215 4.339 4.527 0.046 0.000 0.269 295 F C 0.011 175.297 175.800 -0.857 0.000 0.960 295 F CA 0.921 58.507 58.000 -0.690 0.000 0.909 295 F CB -0.748 37.758 39.000 -0.824 0.000 0.837 295 F HN 0.670 nan 8.300 nan 0.000 0.768 296 R N 0.397 120.383 120.500 -0.857 0.000 2.584 296 R HA 0.695 5.063 4.340 0.046 0.000 0.276 296 R C -1.590 174.266 176.300 -0.740 0.000 1.046 296 R CA -0.455 55.252 56.100 -0.655 0.000 0.906 296 R CB 1.172 31.357 30.300 -0.192 0.000 1.215 296 R HN -0.029 nan 8.270 nan 0.000 0.449 297 F N 0.698 120.806 119.950 0.263 0.000 2.565 297 F HA 0.369 4.923 4.527 0.046 0.000 0.313 297 F C 1.078 176.878 175.800 0.001 0.000 1.091 297 F CA -0.871 57.273 58.000 0.241 0.000 0.915 297 F CB 2.402 41.628 39.000 0.377 0.000 1.208 297 F HN 0.451 nan 8.300 nan 0.000 0.453 298 S N 0.858 116.507 115.700 -0.084 0.000 2.368 298 S HA -0.001 4.496 4.470 0.046 0.000 0.224 298 S C -0.043 174.134 174.600 -0.705 0.000 1.029 298 S CA 1.171 59.083 58.200 -0.480 0.000 0.988 298 S CB -0.203 62.580 63.200 -0.695 0.000 0.838 298 S HN 0.369 nan 8.310 nan 0.000 0.462 299 F N 1.430 121.397 119.950 0.028 0.000 2.500 299 F HA 0.564 5.119 4.527 0.046 0.000 0.349 299 F C -0.137 175.692 175.800 0.049 0.000 1.127 299 F CA -0.975 57.066 58.000 0.069 0.000 0.998 299 F CB 1.446 40.502 39.000 0.093 0.000 1.237 299 F HN -0.113 nan 8.300 nan 0.000 0.439 300 V N 0.683 120.574 119.914 -0.038 0.000 3.160 300 V HA 0.770 4.918 4.120 0.046 0.000 0.310 300 V C -2.924 172.799 176.094 -0.618 0.000 1.181 300 V CA -3.304 58.641 62.300 -0.591 0.000 1.047 300 V CB 2.086 33.748 31.823 -0.268 0.000 1.068 300 V HN 0.256 nan 8.190 nan 0.000 0.441 301 P HA 0.171 nan 4.420 nan 0.000 0.266 301 P C -0.791 176.359 177.300 -0.250 0.000 1.193 301 P CA 0.382 63.183 63.100 -0.498 0.000 0.770 301 P CB 0.600 31.919 31.700 -0.635 0.000 0.836 302 V N 4.592 124.438 119.914 -0.114 0.000 2.540 302 V HA 0.229 4.376 4.120 0.046 0.000 0.302 302 V C -0.432 175.639 176.094 -0.039 0.000 1.035 302 V CA -0.950 61.313 62.300 -0.062 0.000 0.873 302 V CB 2.108 33.925 31.823 -0.010 0.000 0.992 302 V HN 0.140 nan 8.190 nan 0.000 0.428 303 V N 7.611 127.503 119.914 -0.037 0.000 2.390 303 V HA 0.152 4.300 4.120 0.046 0.000 0.260 303 V C 0.867 176.964 176.094 0.006 0.000 1.043 303 V CA 0.576 62.869 62.300 -0.012 0.000 1.047 303 V CB 0.283 32.093 31.823 -0.022 0.000 1.066 303 V HN 1.062 nan 8.190 nan 0.000 0.481 304 D N 2.844 123.261 120.400 0.030 0.000 2.379 304 D HA 0.150 4.817 4.640 0.046 0.000 0.208 304 D C 1.500 177.822 176.300 0.037 0.000 1.065 304 D CA 0.674 54.696 54.000 0.035 0.000 0.848 304 D CB 0.565 41.398 40.800 0.054 0.000 0.949 304 D HN 0.692 nan 8.370 nan 0.000 0.509 305 G N 0.702 109.524 108.800 0.037 0.000 2.184 305 G HA2 -0.337 3.650 3.960 0.046 0.000 0.264 305 G HA3 -0.337 3.650 3.960 0.046 0.000 0.264 305 G C 0.508 175.431 174.900 0.037 0.000 0.975 305 G CA 0.772 45.889 45.100 0.029 0.000 0.642 305 G HN 0.540 nan 8.290 nan 0.000 0.536 306 D N -1.387 119.051 120.400 0.065 0.000 3.061 306 D HA 0.266 4.933 4.640 0.046 0.000 0.243 306 D C 1.812 178.168 176.300 0.094 0.000 1.572 306 D CA 0.447 54.490 54.000 0.072 0.000 1.269 306 D CB -0.541 40.311 40.800 0.088 0.000 1.023 306 D HN 0.089 nan 8.370 nan 0.000 0.280 307 F N 1.103 121.060 119.950 0.011 0.000 2.069 307 F HA 0.142 4.696 4.527 0.046 0.000 0.298 307 F C 0.628 176.427 175.800 -0.002 0.000 1.113 307 F CA 1.231 59.237 58.000 0.010 0.000 1.214 307 F CB 0.084 39.088 39.000 0.007 0.000 0.978 307 F HN -0.016 nan 8.300 nan 0.000 0.474 308 L N 0.942 122.335 121.223 0.283 0.000 2.283 308 L HA 0.188 4.556 4.340 0.046 0.000 0.281 308 L C 1.397 178.310 176.870 0.072 0.000 1.033 308 L CA -0.164 54.769 54.840 0.153 0.000 0.848 308 L CB 1.236 43.372 42.059 0.128 0.000 1.226 308 L HN 0.115 nan 8.230 nan 0.000 0.429 309 S N 0.471 116.193 115.700 0.037 0.000 2.447 309 S HA -0.032 4.466 4.470 0.046 0.000 0.233 309 S C 0.519 175.126 174.600 0.013 0.000 1.006 309 S CA 0.593 58.803 58.200 0.017 0.000 0.957 309 S CB 0.180 63.380 63.200 -0.001 0.000 0.773 309 S HN 0.684 nan 8.310 nan 0.000 0.507 310 D N 0.139 120.547 120.400 0.014 0.000 2.812 310 D HA 0.334 5.002 4.640 0.046 0.000 0.318 310 D C -0.772 175.530 176.300 0.003 0.000 1.234 310 D CA 0.028 54.031 54.000 0.005 0.000 0.989 310 D CB 1.501 42.302 40.800 0.001 0.000 1.442 310 D HN 0.252 nan 8.370 nan 0.000 0.537 311 T N -1.041 113.508 114.554 -0.009 0.000 2.903 311 T HA 0.221 4.599 4.350 0.046 0.000 0.314 311 T C -1.822 172.867 174.700 -0.017 0.000 1.078 311 T CA -0.747 61.339 62.100 -0.023 0.000 1.114 311 T CB 0.985 69.833 68.868 -0.033 0.000 0.987 311 T HN 0.092 nan 8.240 nan 0.000 0.548 312 P HA -0.137 nan 4.420 nan 0.000 0.216 312 P C 1.528 178.818 177.300 -0.017 0.000 1.150 312 P CA 1.083 64.166 63.100 -0.028 0.000 0.843 312 P CB 0.068 31.721 31.700 -0.077 0.000 0.787 313 E N -0.228 119.952 120.200 -0.034 0.000 2.023 313 E HA -0.257 4.121 4.350 0.046 0.000 0.196 313 E C 1.948 178.550 176.600 0.004 0.000 1.003 313 E CA 1.592 57.980 56.400 -0.021 0.000 0.809 313 E CB -0.572 29.110 29.700 -0.031 0.000 0.755 313 E HN 0.064 nan 8.360 nan 0.000 0.449 314 A N 1.209 124.030 122.820 0.001 0.000 1.892 314 A HA -0.193 4.155 4.320 0.046 0.000 0.218 314 A C 2.301 179.901 177.584 0.026 0.000 1.188 314 A CA 1.599 53.641 52.037 0.008 0.000 0.631 314 A CB -0.794 18.206 19.000 0.000 0.000 0.822 314 A HN 0.340 nan 8.150 nan 0.000 0.447 315 L N -0.360 120.886 121.223 0.038 0.000 2.156 315 L HA -0.109 4.259 4.340 0.046 0.000 0.208 315 L C 2.504 179.465 176.870 0.151 0.000 1.095 315 L CA 1.341 56.222 54.840 0.069 0.000 0.770 315 L CB -0.546 41.557 42.059 0.074 0.000 0.914 315 L HN 0.684 nan 8.230 nan 0.000 0.439 316 I N -3.637 117.024 120.570 0.152 0.000 2.584 316 I HA -0.046 4.152 4.170 0.046 0.000 0.255 316 I C 1.976 178.212 176.117 0.198 0.000 1.145 316 I CA 0.908 62.349 61.300 0.235 0.000 1.462 316 I CB -0.422 37.634 38.000 0.093 0.000 1.102 316 I HN 0.080 nan 8.210 nan 0.000 0.433 317 N N 1.436 120.197 118.700 0.102 0.000 2.289 317 N HA -0.126 4.642 4.740 0.046 0.000 0.184 317 N C 1.779 177.326 175.510 0.061 0.000 1.016 317 N CA 2.123 55.217 53.050 0.073 0.000 0.872 317 N CB -0.324 38.187 38.487 0.039 0.000 0.973 317 N HN 0.703 nan 8.380 nan 0.000 0.433 318 T N -4.024 110.555 114.554 0.042 0.000 3.043 318 T HA 0.339 4.717 4.350 0.046 0.000 0.272 318 T C 0.838 175.485 174.700 -0.088 0.000 0.990 318 T CA -0.373 61.719 62.100 -0.013 0.000 0.897 318 T CB 0.141 68.997 68.868 -0.019 0.000 1.111 318 T HN 0.041 nan 8.240 nan 0.000 0.529 319 G N 0.811 109.532 108.800 -0.131 0.000 2.572 319 G HA2 0.459 4.447 3.960 0.046 0.000 0.261 319 G HA3 0.459 4.447 3.960 0.046 0.000 0.261 319 G C -1.223 173.251 174.900 -0.710 0.000 1.197 319 G CA -0.435 44.362 45.100 -0.505 0.000 0.870 319 G HN 0.372 nan 8.290 nan 0.000 0.548 320 D N -0.838 119.059 120.400 -0.838 0.000 2.408 320 D HA 0.465 5.133 4.640 0.046 0.000 0.243 320 D C -0.802 175.105 176.300 -0.655 0.000 1.075 320 D CA -0.690 52.970 54.000 -0.566 0.000 0.832 320 D CB 0.852 41.488 40.800 -0.273 0.000 1.162 320 D HN 0.084 nan 8.370 nan 0.000 0.515 321 F N 2.483 122.436 119.950 0.005 0.000 2.879 321 F HA 0.248 4.802 4.527 0.047 0.000 0.354 321 F C 1.762 177.567 175.800 0.009 0.000 1.291 321 F CA -0.512 57.494 58.000 0.010 0.000 1.238 321 F CB 0.569 39.583 39.000 0.024 0.000 1.005 321 F HN 0.345 nan 8.300 nan 0.000 0.508 322 Q N 0.239 120.098 119.800 0.098 0.000 2.016 322 Q HA -0.112 4.255 4.340 0.046 0.000 0.200 322 Q C 0.408 176.447 176.000 0.065 0.000 0.978 322 Q CA 1.365 57.208 55.803 0.066 0.000 0.833 322 Q CB 0.002 28.752 28.738 0.020 0.000 0.895 322 Q HN 0.374 nan 8.270 nan 0.000 0.427 323 D N 0.571 121.002 120.400 0.051 0.000 2.690 323 D HA 0.159 4.827 4.640 0.046 0.000 0.236 323 D C -0.484 175.847 176.300 0.053 0.000 1.218 323 D CA 0.037 54.060 54.000 0.038 0.000 0.829 323 D CB -0.098 40.710 40.800 0.014 0.000 1.009 323 D HN -0.002 nan 8.370 nan 0.000 0.482 324 L N 0.938 122.216 121.223 0.091 0.000 2.362 324 L HA 0.324 4.692 4.340 0.046 0.000 0.275 324 L C -0.957 175.985 176.870 0.120 0.000 0.998 324 L CA -0.532 54.374 54.840 0.111 0.000 0.820 324 L CB 1.988 44.146 42.059 0.164 0.000 1.270 324 L HN -0.231 nan 8.230 nan 0.000 0.415 325 Q N 3.461 123.345 119.800 0.140 0.000 2.316 325 Q HA 0.788 5.156 4.340 0.046 0.000 0.264 325 Q C -1.380 174.850 176.000 0.385 0.000 0.987 325 Q CA -0.486 55.453 55.803 0.227 0.000 0.852 325 Q CB 2.576 31.412 28.738 0.164 0.000 1.287 325 Q HN 0.475 nan 8.270 nan 0.000 0.448 326 V N 2.554 122.673 119.914 0.342 0.000 2.686 326 V HA 0.494 4.642 4.120 0.046 0.000 0.306 326 V C -1.436 174.631 176.094 -0.044 0.000 1.065 326 V CA -0.896 61.515 62.300 0.185 0.000 0.894 326 V CB 1.880 33.724 31.823 0.034 0.000 1.004 326 V HN 0.612 nan 8.190 nan 0.000 0.424 327 L N 6.800 127.793 121.223 -0.383 0.000 2.313 327 L HA 0.926 5.294 4.340 0.046 0.000 0.283 327 L C -0.504 176.233 176.870 -0.222 0.000 1.013 327 L CA -0.186 54.334 54.840 -0.534 0.000 0.816 327 L CB 1.685 42.965 42.059 -1.298 0.000 1.236 327 L HN 0.644 nan 8.230 nan 0.000 0.419 328 V N 1.966 121.812 119.914 -0.112 0.000 3.007 328 V HA 1.125 5.273 4.120 0.046 0.000 0.311 328 V C -0.198 175.636 176.094 -0.432 0.000 1.120 328 V CA 0.188 62.397 62.300 -0.152 0.000 0.980 328 V CB 1.143 32.854 31.823 -0.187 0.000 1.033 328 V HN 1.109 nan 8.190 nan 0.000 0.429 329 G N 0.829 109.227 108.800 -0.671 0.000 2.495 329 G HA2 0.795 4.783 3.960 0.046 0.000 0.294 329 G HA3 0.795 4.783 3.960 0.046 0.000 0.294 329 G C -1.203 173.385 174.900 -0.521 0.000 1.397 329 G CA 0.075 44.411 45.100 -1.273 0.000 0.790 329 G HN 2.071 nan 8.290 nan 0.000 0.486 330 V N -2.516 117.243 119.914 -0.258 0.000 3.160 330 V HA 0.927 5.075 4.120 0.046 0.000 0.310 330 V C 0.214 176.490 176.094 0.303 0.000 1.181 330 V CA -0.422 61.925 62.300 0.078 0.000 1.047 330 V CB 1.135 32.980 31.823 0.037 0.000 1.068 330 V HN 1.886 nan 8.190 nan 0.000 0.441 331 V N -0.796 119.310 119.914 0.320 0.000 2.966 331 V HA 0.579 4.727 4.120 0.046 0.000 0.317 331 V C 1.340 177.614 176.094 0.301 0.000 1.070 331 V CA -0.036 62.504 62.300 0.400 0.000 1.008 331 V CB 1.341 33.400 31.823 0.393 0.000 1.070 331 V HN 1.081 nan 8.190 nan 0.000 0.457 332 K N -0.143 120.431 120.400 0.291 0.000 2.209 332 K HA -0.069 4.279 4.320 0.046 0.000 0.204 332 K C 0.280 177.001 176.600 0.201 0.000 1.048 332 K CA 1.809 58.226 56.287 0.216 0.000 0.940 332 K CB 0.101 32.706 32.500 0.176 0.000 0.729 332 K HN 0.898 nan 8.250 nan 0.000 0.451 333 D N 0.905 121.435 120.400 0.217 0.000 2.749 333 D HA 0.030 4.697 4.640 0.046 0.000 0.338 333 D C 0.097 176.537 176.300 0.233 0.000 1.236 333 D CA -0.086 54.036 54.000 0.204 0.000 0.845 333 D CB 1.254 42.157 40.800 0.172 0.000 1.080 333 D HN 0.110 nan 8.370 nan 0.000 0.497 334 E N 0.353 120.694 120.200 0.235 0.000 2.160 334 E HA -0.121 4.256 4.350 0.046 0.000 0.195 334 E C 1.835 178.616 176.600 0.302 0.000 0.991 334 E CA 0.766 57.333 56.400 0.278 0.000 0.810 334 E CB 0.202 30.017 29.700 0.191 0.000 0.742 334 E HN 0.421 nan 8.360 nan 0.000 0.466 335 G N 0.478 109.421 108.800 0.239 0.000 2.986 335 G HA2 -0.078 3.910 3.960 0.046 0.000 0.213 335 G HA3 -0.078 3.910 3.960 0.046 0.000 0.213 335 G C 1.635 176.730 174.900 0.324 0.000 1.156 335 G CA 0.616 45.873 45.100 0.261 0.000 0.763 335 G HN 0.318 nan 8.290 nan 0.000 0.547 336 S N 0.345 116.208 115.700 0.271 0.000 2.348 336 S HA -0.235 4.263 4.470 0.046 0.000 0.221 336 S C 2.063 176.749 174.600 0.144 0.000 1.033 336 S CA 1.240 59.575 58.200 0.224 0.000 1.010 336 S CB -0.893 62.355 63.200 0.080 0.000 0.891 336 S HN 0.335 nan 8.310 nan 0.000 0.442 337 Y N 2.022 122.253 120.300 -0.115 0.000 2.096 337 Y HA -0.289 4.289 4.550 0.045 0.000 0.276 337 Y C 1.881 177.663 175.900 -0.198 0.000 1.209 337 Y CA 2.103 59.985 58.100 -0.364 0.000 1.137 337 Y CB -0.723 37.426 38.460 -0.518 0.000 0.956 337 Y HN 0.284 nan 8.280 nan 0.000 0.506 338 F N -0.949 119.083 119.950 0.137 0.000 2.502 338 F HA -0.116 4.438 4.527 0.045 0.000 0.298 338 F C 1.959 177.819 175.800 0.101 0.000 1.111 338 F CA 0.701 58.748 58.000 0.079 0.000 1.445 338 F CB -0.443 38.554 39.000 -0.004 0.000 1.081 338 F HN 0.044 nan 8.300 nan 0.000 0.558 339 L N -0.255 121.086 121.223 0.197 0.000 2.072 339 L HA -0.127 4.241 4.340 0.046 0.000 0.205 339 L C 2.518 179.471 176.870 0.139 0.000 1.079 339 L CA 1.008 55.847 54.840 -0.001 0.000 0.752 339 L CB -0.929 40.897 42.059 -0.388 0.000 0.906 339 L HN 0.141 nan 8.230 nan 0.000 0.436 340 V N -3.900 116.167 119.914 0.256 0.000 3.026 340 V HA -0.244 3.904 4.120 0.046 0.000 0.265 340 V C 1.253 177.378 176.094 0.051 0.000 1.121 340 V CA 1.212 63.659 62.300 0.245 0.000 1.142 340 V CB -1.302 30.702 31.823 0.302 0.000 0.730 340 V HN 0.338 nan 8.190 nan 0.000 0.503 341 Y N 1.698 122.022 120.300 0.040 0.000 2.746 341 Y HA 0.642 5.219 4.550 0.046 0.000 0.312 341 Y C 1.576 177.459 175.900 -0.029 0.000 1.117 341 Y CA 0.242 58.328 58.100 -0.023 0.000 1.324 341 Y CB 0.487 38.913 38.460 -0.058 0.000 1.173 341 Y HN 0.417 nan 8.280 nan 0.000 0.529 342 G N -1.016 107.849 108.800 0.108 0.000 2.834 342 G HA2 -0.114 3.873 3.960 0.046 0.000 0.217 342 G HA3 -0.114 3.873 3.960 0.046 0.000 0.217 342 G C -0.843 174.106 174.900 0.082 0.000 0.974 342 G CA -0.515 44.626 45.100 0.068 0.000 0.826 342 G HN -0.003 nan 8.290 nan 0.000 0.584 343 V N 2.278 122.264 119.914 0.121 0.000 2.333 343 V HA 0.415 4.562 4.120 0.046 0.000 0.274 343 V C -1.897 174.366 176.094 0.281 0.000 1.028 343 V CA -1.792 60.607 62.300 0.165 0.000 0.851 343 V CB 1.299 33.167 31.823 0.075 0.000 1.000 343 V HN 0.073 nan 8.190 nan 0.000 0.456 344 P HA 0.197 nan 4.420 nan 0.000 0.262 344 P C 1.035 178.421 177.300 0.142 0.000 1.182 344 P CA 1.408 64.588 63.100 0.134 0.000 0.761 344 P CB 0.546 32.294 31.700 0.080 0.000 0.795 345 G N 1.499 110.319 108.800 0.035 0.000 2.195 345 G HA2 -0.208 3.780 3.960 0.046 0.000 0.224 345 G HA3 -0.208 3.780 3.960 0.046 0.000 0.224 345 G C -0.220 174.455 174.900 -0.375 0.000 0.990 345 G CA -0.632 44.358 45.100 -0.183 0.000 0.639 345 G HN 0.398 nan 8.290 nan 0.000 0.514 346 F N 1.662 121.611 119.950 -0.003 0.000 2.436 346 F HA 0.775 5.329 4.527 0.045 0.000 0.340 346 F C 0.527 176.403 175.800 0.127 0.000 1.113 346 F CA -0.158 57.855 58.000 0.022 0.000 1.022 346 F CB 2.302 41.354 39.000 0.087 0.000 1.128 346 F HN 0.234 nan 8.300 nan 0.000 0.466 347 S N 2.162 118.064 115.700 0.337 0.000 2.550 347 S HA 0.317 4.815 4.470 0.046 0.000 0.270 347 S C 0.174 175.059 174.600 0.475 0.000 1.145 347 S CA -0.886 57.529 58.200 0.359 0.000 0.852 347 S CB 1.510 64.829 63.200 0.198 0.000 1.119 347 S HN 0.756 nan 8.310 nan 0.000 0.465 348 K N 1.068 121.665 120.400 0.329 0.000 2.432 348 K HA 0.137 4.484 4.320 0.046 0.000 0.196 348 K C 0.126 176.761 176.600 0.059 0.000 1.038 348 K CA 0.903 57.298 56.287 0.180 0.000 0.986 348 K CB -0.097 32.273 32.500 -0.216 0.000 0.782 348 K HN 0.437 nan 8.250 nan 0.000 0.485 349 D N 0.933 121.359 120.400 0.044 0.000 2.346 349 D HA -0.009 4.659 4.640 0.046 0.000 0.206 349 D C 0.129 176.453 176.300 0.040 0.000 1.001 349 D CA 0.473 54.463 54.000 -0.017 0.000 0.871 349 D CB 0.128 40.900 40.800 -0.046 0.000 0.943 349 D HN 0.493 nan 8.370 nan 0.000 0.518 350 N N -0.807 117.949 118.700 0.092 0.000 3.184 350 N HA 0.165 4.933 4.740 0.046 0.000 0.353 350 N C 0.353 175.924 175.510 0.101 0.000 1.441 350 N CA -0.550 52.535 53.050 0.059 0.000 0.723 350 N CB 0.555 39.035 38.487 -0.011 0.000 1.547 350 N HN -0.322 nan 8.380 nan 0.000 0.624 351 E N -0.798 119.383 120.200 -0.031 0.000 2.479 351 E HA 0.122 4.500 4.350 0.046 0.000 0.193 351 E C -0.599 175.675 176.600 -0.544 0.000 1.049 351 E CA -0.057 56.258 56.400 -0.143 0.000 0.870 351 E CB -0.133 29.523 29.700 -0.073 0.000 0.944 351 E HN 0.542 nan 8.360 nan 0.000 0.492 352 S N 0.534 115.937 115.700 -0.494 0.000 3.559 352 S HA -0.204 4.294 4.470 0.046 0.000 0.369 352 S C 0.125 174.292 174.600 -0.722 0.000 0.987 352 S CA 0.253 58.023 58.200 -0.715 0.000 1.187 352 S CB -1.726 60.848 63.200 -1.043 0.000 0.914 352 S HN 0.312 nan 8.310 nan 0.000 0.480 353 L N 1.735 122.691 121.223 -0.445 0.000 2.325 353 L HA 0.432 4.800 4.340 0.046 0.000 0.284 353 L C 0.866 177.549 176.870 -0.313 0.000 1.089 353 L CA -0.386 54.257 54.840 -0.329 0.000 0.836 353 L CB 0.091 42.026 42.059 -0.205 0.000 1.184 353 L HN 0.439 nan 8.230 nan 0.000 0.444 354 I N 0.269 120.647 120.570 -0.320 0.000 2.934 354 I HA 0.574 4.772 4.170 0.046 0.000 0.315 354 I C 0.722 176.774 176.117 -0.108 0.000 0.997 354 I CA -0.561 60.596 61.300 -0.238 0.000 1.184 354 I CB 1.455 39.319 38.000 -0.227 0.000 1.400 354 I HN 0.554 nan 8.210 nan 0.000 0.549 355 S N 1.695 117.364 115.700 -0.052 0.000 2.713 355 S HA 0.394 4.891 4.470 0.046 0.000 0.283 355 S C 0.897 175.528 174.600 0.052 0.000 1.161 355 S CA -0.605 57.589 58.200 -0.011 0.000 0.999 355 S CB 1.691 64.888 63.200 -0.005 0.000 1.039 355 S HN 0.821 nan 8.310 nan 0.000 0.548 356 R N 0.621 121.152 120.500 0.052 0.000 2.105 356 R HA -0.063 4.305 4.340 0.046 0.000 0.239 356 R C 2.256 178.655 176.300 0.166 0.000 1.135 356 R CA 1.807 57.976 56.100 0.114 0.000 0.967 356 R CB -1.096 29.243 30.300 0.065 0.000 0.861 356 R HN 0.828 nan 8.270 nan 0.000 0.442 357 A N 0.157 123.037 122.820 0.100 0.000 1.930 357 A HA -0.157 4.191 4.320 0.046 0.000 0.217 357 A C 2.020 179.656 177.584 0.086 0.000 1.175 357 A CA 1.305 53.391 52.037 0.082 0.000 0.627 357 A CB -0.389 18.641 19.000 0.050 0.000 0.815 357 A HN 0.492 nan 8.150 nan 0.000 0.443 358 Q N -1.826 118.030 119.800 0.094 0.000 2.170 358 Q HA -0.133 4.234 4.340 0.046 0.000 0.203 358 Q C 1.830 177.937 176.000 0.177 0.000 0.976 358 Q CA 1.520 57.385 55.803 0.103 0.000 0.858 358 Q CB -0.248 28.524 28.738 0.057 0.000 0.907 358 Q HN 0.813 nan 8.270 nan 0.000 0.433 359 F N 0.801 120.788 119.950 0.063 0.000 2.146 359 F HA -0.161 4.398 4.527 0.053 0.000 0.298 359 F C 1.699 177.543 175.800 0.073 0.000 1.096 359 F CA 0.938 58.989 58.000 0.084 0.000 1.275 359 F CB 0.096 39.130 39.000 0.057 0.000 1.008 359 F HN -0.045 nan 8.300 nan 0.000 0.480 360 L N 0.128 121.298 121.223 -0.089 0.000 2.083 360 L HA -0.165 4.203 4.340 0.046 0.000 0.209 360 L C 2.753 179.531 176.870 -0.154 0.000 1.083 360 L CA 1.303 56.029 54.840 -0.190 0.000 0.752 360 L CB -1.472 40.578 42.059 -0.013 0.000 0.899 360 L HN 0.287 nan 8.230 nan 0.000 0.433 361 A N 0.332 123.115 122.820 -0.061 0.000 1.970 361 A HA 0.042 4.389 4.320 0.046 0.000 0.216 361 A C 2.404 179.967 177.584 -0.035 0.000 1.170 361 A CA 1.109 53.127 52.037 -0.032 0.000 0.645 361 A CB -0.897 18.108 19.000 0.008 0.000 0.816 361 A HN 0.400 nan 8.150 nan 0.000 0.447 362 G N -0.158 108.629 108.800 -0.021 0.000 2.442 362 G HA2 -0.172 3.816 3.960 0.046 0.000 0.219 362 G HA3 -0.172 3.816 3.960 0.046 0.000 0.219 362 G C 1.466 176.314 174.900 -0.086 0.000 1.141 362 G CA 1.368 46.468 45.100 0.000 0.000 0.763 362 G HN 0.306 nan 8.290 nan 0.000 0.554 363 V N 1.094 120.882 119.914 -0.209 0.000 2.427 363 V HA -0.116 4.032 4.120 0.046 0.000 0.248 363 V C 2.856 178.888 176.094 -0.102 0.000 1.051 363 V CA 1.587 63.762 62.300 -0.208 0.000 1.048 363 V CB -0.363 31.241 31.823 -0.365 0.000 0.666 363 V HN 0.267 nan 8.190 nan 0.000 0.456 364 R N -0.205 120.246 120.500 -0.081 0.000 2.237 364 R HA 0.074 4.441 4.340 0.046 0.000 0.219 364 R C 1.898 178.183 176.300 -0.025 0.000 1.080 364 R CA 1.093 57.168 56.100 -0.042 0.000 0.995 364 R CB -0.579 29.704 30.300 -0.029 0.000 0.875 364 R HN 0.485 nan 8.270 nan 0.000 0.462 365 I N -0.790 119.765 120.570 -0.025 0.000 2.867 365 I HA 0.014 4.212 4.170 0.046 0.000 0.265 365 I C 2.219 178.330 176.117 -0.009 0.000 1.162 365 I CA 0.863 62.158 61.300 -0.009 0.000 1.471 365 I CB -0.261 37.741 38.000 0.003 0.000 1.123 365 I HN 0.129 nan 8.210 nan 0.000 0.440 366 G N 0.628 109.415 108.800 -0.021 0.000 2.430 366 G HA2 -0.029 3.959 3.960 0.046 0.000 0.216 366 G HA3 -0.029 3.959 3.960 0.046 0.000 0.216 366 G C 0.852 175.753 174.900 0.001 0.000 1.146 366 G CA 0.415 45.507 45.100 -0.014 0.000 0.793 366 G HN 0.211 nan 8.290 nan 0.000 0.537 367 V N 2.191 122.086 119.914 -0.031 0.000 2.326 367 V HA 0.226 4.373 4.120 0.046 0.000 0.254 367 V C -1.446 174.636 176.094 -0.020 0.000 1.022 367 V CA -1.133 61.122 62.300 -0.075 0.000 1.074 367 V CB 1.396 33.152 31.823 -0.113 0.000 1.305 367 V HN 0.100 nan 8.190 nan 0.000 0.506 368 P HA -0.109 nan 4.420 nan 0.000 0.226 368 P C 1.044 178.350 177.300 0.010 0.000 1.153 368 P CA 0.916 64.021 63.100 0.009 0.000 0.777 368 P CB 0.600 32.307 31.700 0.013 0.000 0.794 369 Q N -0.318 119.496 119.800 0.023 0.000 2.451 369 Q HA 0.230 4.597 4.340 0.046 0.000 0.206 369 Q C 0.852 176.853 176.000 0.002 0.000 0.947 369 Q CA 0.066 55.880 55.803 0.018 0.000 0.937 369 Q CB -0.474 28.288 28.738 0.040 0.000 1.025 369 Q HN 0.173 nan 8.270 nan 0.000 0.511 370 A N 0.798 123.614 122.820 -0.006 0.000 2.362 370 A HA 0.462 4.809 4.320 0.046 0.000 0.276 370 A C 0.293 177.869 177.584 -0.013 0.000 1.153 370 A CA -0.398 51.630 52.037 -0.015 0.000 0.813 370 A CB 0.199 19.188 19.000 -0.018 0.000 1.081 370 A HN 0.325 nan 8.150 nan 0.000 0.507 371 S N 2.256 117.946 115.700 -0.017 0.000 2.580 371 S HA 0.062 4.560 4.470 0.046 0.000 0.266 371 S C 0.466 175.064 174.600 -0.003 0.000 1.354 371 S CA 0.246 58.439 58.200 -0.012 0.000 1.008 371 S CB 0.391 63.581 63.200 -0.018 0.000 0.898 371 S HN 0.637 nan 8.310 nan 0.000 0.555 372 D N 0.361 120.762 120.400 0.003 0.000 2.126 372 D HA -0.129 4.539 4.640 0.046 0.000 0.190 372 D C 1.731 178.045 176.300 0.024 0.000 1.001 372 D CA 1.358 55.365 54.000 0.012 0.000 0.841 372 D CB -0.445 40.363 40.800 0.013 0.000 0.949 372 D HN 0.450 nan 8.370 nan 0.000 0.446 373 L N 0.656 121.893 121.223 0.023 0.000 2.012 373 L HA -0.107 4.261 4.340 0.046 0.000 0.210 373 L C 2.104 179.006 176.870 0.054 0.000 1.073 373 L CA 2.076 56.940 54.840 0.040 0.000 0.748 373 L CB -1.021 41.056 42.059 0.030 0.000 0.891 373 L HN 0.027 nan 8.230 nan 0.000 0.431 374 A N -0.555 122.279 122.820 0.022 0.000 1.908 374 A HA -0.167 4.180 4.320 0.046 0.000 0.218 374 A C 2.449 180.064 177.584 0.052 0.000 1.181 374 A CA 2.141 54.188 52.037 0.015 0.000 0.627 374 A CB -1.240 17.735 19.000 -0.042 0.000 0.818 374 A HN 0.604 nan 8.150 nan 0.000 0.445 375 A N -0.550 122.291 122.820 0.034 0.000 1.902 375 A HA -0.139 4.209 4.320 0.046 0.000 0.217 375 A C 1.958 179.581 177.584 0.065 0.000 1.181 375 A CA 2.084 54.140 52.037 0.031 0.000 0.623 375 A CB -0.529 18.473 19.000 0.002 0.000 0.818 375 A HN 0.553 nan 8.150 nan 0.000 0.443 376 E N 0.153 120.399 120.200 0.077 0.000 2.058 376 E HA -0.138 4.240 4.350 0.046 0.000 0.194 376 E C 2.092 178.785 176.600 0.156 0.000 0.997 376 E CA 1.716 58.182 56.400 0.109 0.000 0.801 376 E CB -0.461 29.297 29.700 0.097 0.000 0.746 376 E HN 0.497 nan 8.360 nan 0.000 0.450 377 A N -0.074 122.853 122.820 0.179 0.000 1.917 377 A HA -0.205 4.142 4.320 0.046 0.000 0.219 377 A C 2.499 180.213 177.584 0.218 0.000 1.182 377 A CA 1.851 54.037 52.037 0.247 0.000 0.633 377 A CB -0.858 18.382 19.000 0.399 0.000 0.819 377 A HN 0.218 nan 8.150 nan 0.000 0.448 378 V N -0.536 119.530 119.914 0.254 0.000 2.270 378 V HA -0.226 3.921 4.120 0.046 0.000 0.245 378 V C 2.588 178.870 176.094 0.313 0.000 1.043 378 V CA 1.938 64.389 62.300 0.253 0.000 1.014 378 V CB -0.813 31.133 31.823 0.205 0.000 0.645 378 V HN 0.379 nan 8.190 nan 0.000 0.447 379 V N 0.101 120.160 119.914 0.242 0.000 2.282 379 V HA -0.300 3.847 4.120 0.046 0.000 0.249 379 V C 2.305 178.635 176.094 0.394 0.000 1.057 379 V CA 2.243 64.750 62.300 0.344 0.000 1.032 379 V CB -0.644 31.316 31.823 0.228 0.000 0.645 379 V HN 0.463 nan 8.190 nan 0.000 0.447 380 L N -0.774 120.648 121.223 0.332 0.000 2.141 380 L HA -0.180 4.188 4.340 0.046 0.000 0.209 380 L C 2.534 179.595 176.870 0.318 0.000 1.094 380 L CA 1.870 56.963 54.840 0.421 0.000 0.763 380 L CB -0.814 41.421 42.059 0.294 0.000 0.908 380 L HN 0.439 nan 8.230 nan 0.000 0.437 381 H N -0.856 118.206 119.070 -0.012 0.000 2.389 381 H HA -0.168 4.417 4.556 0.049 0.000 0.299 381 H C 1.776 176.978 175.328 -0.211 0.000 1.081 381 H CA 1.826 57.708 56.048 -0.278 0.000 1.345 381 H CB 0.096 29.349 29.762 -0.849 0.000 1.393 381 H HN 0.260 nan 8.280 nan 0.000 0.520 382 Y N -0.277 120.064 120.300 0.069 0.000 2.497 382 Y HA 0.145 4.722 4.550 0.045 0.000 0.265 382 Y C 0.784 176.621 175.900 -0.105 0.000 1.111 382 Y CA 0.273 58.415 58.100 0.070 0.000 1.288 382 Y CB 0.368 39.016 38.460 0.314 0.000 1.082 382 Y HN 0.014 nan 8.280 nan 0.000 0.536 383 T N 1.705 116.212 114.554 -0.079 0.000 2.902 383 T HA -0.087 4.291 4.350 0.046 0.000 0.301 383 T C -0.195 174.150 174.700 -0.592 0.000 1.012 383 T CA -0.049 61.731 62.100 -0.534 0.000 1.151 383 T CB 0.229 68.487 68.868 -1.018 0.000 0.946 383 T HN 0.071 nan 8.240 nan 0.000 0.542 384 D N 1.945 122.047 120.400 -0.497 0.000 2.365 384 D HA 0.090 4.758 4.640 0.046 0.000 0.237 384 D C 0.091 176.130 176.300 -0.435 0.000 1.190 384 D CA -0.690 53.096 54.000 -0.357 0.000 0.867 384 D CB 0.356 41.003 40.800 -0.256 0.000 1.050 384 D HN 0.615 nan 8.370 nan 0.000 0.491 385 W N 3.224 124.444 121.300 -0.132 0.000 2.611 385 W HA 0.021 4.706 4.660 0.042 0.000 0.251 385 W C 1.956 178.365 176.519 -0.184 0.000 1.265 385 W CA -0.172 57.096 57.345 -0.130 0.000 1.295 385 W CB -0.026 29.372 29.460 -0.104 0.000 1.129 385 W HN 0.427 nan 8.180 nan 0.000 0.630 386 L N -1.278 119.859 121.223 -0.144 0.000 2.131 386 L HA -0.083 4.285 4.340 0.046 0.000 0.206 386 L C 0.395 176.903 176.870 -0.603 0.000 1.087 386 L CA 1.103 55.702 54.840 -0.402 0.000 0.767 386 L CB -0.446 41.257 42.059 -0.593 0.000 0.917 386 L HN 0.036 nan 8.230 nan 0.000 0.441 387 H N -1.296 117.643 119.070 -0.218 0.000 2.471 387 H HA 0.150 4.713 4.556 0.010 0.000 0.234 387 H C -1.734 173.424 175.328 -0.284 0.000 1.388 387 H CA -1.376 54.516 56.048 -0.260 0.000 1.198 387 H CB 0.173 29.668 29.762 -0.446 0.000 1.714 387 H HN 0.012 nan 8.280 nan 0.000 0.536 388 P HA -0.159 nan 4.420 nan 0.000 0.220 388 P C 0.593 177.756 177.300 -0.229 0.000 1.148 388 P CA 1.280 64.188 63.100 -0.320 0.000 0.803 388 P CB 0.619 32.195 31.700 -0.208 0.000 0.782 389 E N -0.802 119.332 120.200 -0.110 0.000 2.562 389 E HA 0.043 4.420 4.350 0.046 0.000 0.214 389 E C -0.032 176.536 176.600 -0.053 0.000 0.979 389 E CA -0.250 56.106 56.400 -0.072 0.000 1.002 389 E CB 0.052 29.735 29.700 -0.028 0.000 1.048 389 E HN 0.184 nan 8.360 nan 0.000 0.488 390 D N 2.914 123.291 120.400 -0.038 0.000 2.412 390 D HA -0.026 4.642 4.640 0.046 0.000 0.257 390 D C -1.193 175.096 176.300 -0.018 0.000 1.217 390 D CA -1.573 52.426 54.000 -0.001 0.000 0.897 390 D CB 1.148 41.985 40.800 0.061 0.000 1.132 390 D HN -0.114 nan 8.370 nan 0.000 0.493 391 P HA -0.157 nan 4.420 nan 0.000 0.216 391 P C 1.184 178.430 177.300 -0.091 0.000 1.153 391 P CA 1.140 64.192 63.100 -0.079 0.000 0.848 391 P CB 0.060 31.705 31.700 -0.093 0.000 0.787 392 T N -0.949 113.557 114.554 -0.080 0.000 2.759 392 T HA -0.167 4.210 4.350 0.046 0.000 0.269 392 T C 1.676 176.291 174.700 -0.142 0.000 1.042 392 T CA 1.684 63.713 62.100 -0.119 0.000 1.140 392 T CB -0.936 67.845 68.868 -0.145 0.000 0.864 392 T HN 0.305 nan 8.240 nan 0.000 0.455 393 H N 0.513 119.522 119.070 -0.102 0.000 2.326 393 H HA 0.150 4.728 4.556 0.037 0.000 0.301 393 H C 2.191 177.433 175.328 -0.144 0.000 1.081 393 H CA 1.068 57.053 56.048 -0.104 0.000 1.334 393 H CB -0.399 29.290 29.762 -0.122 0.000 1.385 393 H HN 0.168 nan 8.280 nan 0.000 0.504 394 L N 0.231 121.397 121.223 -0.094 0.000 2.042 394 L HA -0.228 4.140 4.340 0.046 0.000 0.210 394 L C 2.780 179.610 176.870 -0.067 0.000 1.076 394 L CA 1.294 55.971 54.840 -0.272 0.000 0.749 394 L CB -0.325 41.592 42.059 -0.238 0.000 0.893 394 L HN 0.271 nan 8.230 nan 0.000 0.432 395 R N 0.520 121.023 120.500 0.006 0.000 2.070 395 R HA -0.187 4.181 4.340 0.046 0.000 0.232 395 R C 1.725 178.151 176.300 0.209 0.000 1.138 395 R CA 2.259 58.441 56.100 0.137 0.000 0.936 395 R CB -0.534 29.718 30.300 -0.081 0.000 0.839 395 R HN 0.312 nan 8.270 nan 0.000 0.429 396 D N 0.549 121.023 120.400 0.123 0.000 2.221 396 D HA -0.117 4.551 4.640 0.046 0.000 0.204 396 D C 1.679 178.085 176.300 0.176 0.000 0.982 396 D CA 1.396 55.492 54.000 0.160 0.000 0.857 396 D CB -0.185 40.667 40.800 0.088 0.000 0.934 396 D HN 0.421 nan 8.370 nan 0.000 0.475 397 A N 0.470 123.371 122.820 0.136 0.000 1.897 397 A HA -0.115 4.232 4.320 0.046 0.000 0.215 397 A C 2.124 179.841 177.584 0.221 0.000 1.181 397 A CA 1.323 53.468 52.037 0.179 0.000 0.620 397 A CB -0.450 18.556 19.000 0.009 0.000 0.821 397 A HN 0.133 nan 8.150 nan 0.000 0.443 398 M N 0.093 119.880 119.600 0.312 0.000 2.080 398 M HA -0.117 4.390 4.480 0.046 0.000 0.260 398 M C 2.297 178.659 176.300 0.103 0.000 1.068 398 M CA 2.160 57.635 55.300 0.293 0.000 1.109 398 M CB -0.668 32.145 32.600 0.355 0.000 1.342 398 M HN 0.406 nan 8.290 nan 0.000 0.405 399 S N -0.332 115.454 115.700 0.142 0.000 2.351 399 S HA -0.164 4.334 4.470 0.046 0.000 0.220 399 S C 2.066 176.741 174.600 0.126 0.000 1.035 399 S CA 1.919 60.212 58.200 0.155 0.000 1.031 399 S CB -0.778 62.579 63.200 0.262 0.000 0.928 399 S HN 0.658 nan 8.310 nan 0.000 0.433 400 A N 0.945 123.856 122.820 0.152 0.000 1.892 400 A HA -0.068 4.280 4.320 0.046 0.000 0.218 400 A C 2.389 180.000 177.584 0.045 0.000 1.188 400 A CA 2.036 54.180 52.037 0.177 0.000 0.631 400 A CB -1.344 17.858 19.000 0.337 0.000 0.822 400 A HN 0.474 nan 8.150 nan 0.000 0.447 401 V N -0.483 119.304 119.914 -0.211 0.000 2.250 401 V HA -0.305 3.843 4.120 0.046 0.000 0.250 401 V C 2.588 178.616 176.094 -0.111 0.000 1.060 401 V CA 2.320 64.440 62.300 -0.300 0.000 1.030 401 V CB -0.862 30.816 31.823 -0.242 0.000 0.643 401 V HN 0.400 nan 8.190 nan 0.000 0.445 402 V N 0.410 120.273 119.914 -0.084 0.000 2.270 402 V HA -0.167 3.981 4.120 0.046 0.000 0.245 402 V C 2.611 178.571 176.094 -0.223 0.000 1.043 402 V CA 2.270 64.498 62.300 -0.121 0.000 1.014 402 V CB -1.367 30.434 31.823 -0.037 0.000 0.645 402 V HN 0.624 nan 8.190 nan 0.000 0.447 403 G N -0.469 108.271 108.800 -0.100 0.000 2.418 403 G HA2 -0.249 3.739 3.960 0.046 0.000 0.217 403 G HA3 -0.249 3.739 3.960 0.046 0.000 0.217 403 G C 1.244 176.047 174.900 -0.162 0.000 1.158 403 G CA 1.086 46.130 45.100 -0.093 0.000 0.771 403 G HN 0.504 nan 8.290 nan 0.000 0.545 404 D N -0.187 120.147 120.400 -0.109 0.000 2.084 404 D HA -0.092 4.575 4.640 0.046 0.000 0.196 404 D C 2.116 178.093 176.300 -0.537 0.000 0.985 404 D CA 1.329 55.237 54.000 -0.153 0.000 0.826 404 D CB -0.578 40.312 40.800 0.151 0.000 0.978 404 D HN 0.391 nan 8.370 nan 0.000 0.456 405 H N 0.901 119.387 119.070 -0.973 0.000 2.352 405 H HA -0.026 4.557 4.556 0.046 0.000 0.299 405 H C 1.502 176.389 175.328 -0.735 0.000 1.097 405 H CA 1.809 57.045 56.048 -1.354 0.000 1.311 405 H CB 0.046 29.011 29.762 -1.328 0.000 1.377 405 H HN 0.015 nan 8.280 nan 0.000 0.504 406 N N -1.002 117.221 118.700 -0.795 0.000 2.432 406 N HA 0.007 4.775 4.740 0.046 0.000 0.174 406 N C 1.429 176.663 175.510 -0.459 0.000 1.037 406 N CA 1.089 53.622 53.050 -0.861 0.000 0.892 406 N CB 0.897 38.309 38.487 -1.793 0.000 1.049 406 N HN 0.266 nan 8.380 nan 0.000 0.442 407 V N -0.118 119.577 119.914 -0.365 0.000 3.054 407 V HA 0.058 4.206 4.120 0.046 0.000 0.227 407 V C 2.212 178.245 176.094 -0.101 0.000 1.252 407 V CA 0.305 62.531 62.300 -0.124 0.000 1.279 407 V CB -0.041 31.773 31.823 -0.014 0.000 1.118 407 V HN -0.148 nan 8.190 nan 0.000 0.504 408 V N -0.097 119.757 119.914 -0.100 0.000 2.261 408 V HA -0.279 3.868 4.120 0.046 0.000 0.246 408 V C 2.514 178.561 176.094 -0.078 0.000 1.047 408 V CA 2.487 64.748 62.300 -0.065 0.000 1.015 408 V CB -0.840 30.978 31.823 -0.008 0.000 0.642 408 V HN 0.640 nan 8.190 nan 0.000 0.446 409 c N -0.187 118.356 118.600 -0.095 0.000 2.446 409 c HA -0.005 4.592 4.570 0.046 0.000 0.277 409 c C 0.620 174.665 174.090 -0.076 0.000 1.275 409 c CA 1.001 57.301 56.329 -0.049 0.000 1.727 409 c CB -1.882 40.623 42.510 -0.007 0.000 2.010 409 c HN 0.458 nan 8.230 nan 0.000 0.486 410 P HA -0.082 nan 4.420 nan 0.000 0.216 410 P C 1.756 178.987 177.300 -0.115 0.000 1.150 410 P CA 1.353 64.373 63.100 -0.132 0.000 0.837 410 P CB -0.171 31.424 31.700 -0.175 0.000 0.786 411 V N 0.204 120.050 119.914 -0.114 0.000 2.295 411 V HA -0.279 3.868 4.120 0.046 0.000 0.246 411 V C 2.476 178.467 176.094 -0.172 0.000 1.049 411 V CA 2.337 64.554 62.300 -0.138 0.000 1.024 411 V CB -1.690 30.046 31.823 -0.144 0.000 0.648 411 V HN 0.105 nan 8.190 nan 0.000 0.447 412 A N -0.403 122.329 122.820 -0.146 0.000 1.908 412 A HA -0.347 4.001 4.320 0.046 0.000 0.218 412 A C 2.185 179.727 177.584 -0.069 0.000 1.181 412 A CA 2.432 54.390 52.037 -0.131 0.000 0.627 412 A CB -0.613 18.364 19.000 -0.038 0.000 0.818 412 A HN 0.614 nan 8.150 nan 0.000 0.445 413 Q N -0.626 119.149 119.800 -0.043 0.000 2.030 413 Q HA -0.174 4.193 4.340 0.046 0.000 0.204 413 Q C 1.878 177.853 176.000 -0.041 0.000 0.986 413 Q CA 2.028 57.820 55.803 -0.018 0.000 0.843 413 Q CB -0.510 28.214 28.738 -0.023 0.000 0.904 413 Q HN 0.498 nan 8.270 nan 0.000 0.420 414 L N 0.252 121.423 121.223 -0.087 0.000 2.017 414 L HA -0.052 4.315 4.340 0.046 0.000 0.208 414 L C 2.214 179.011 176.870 -0.123 0.000 1.073 414 L CA 2.273 57.047 54.840 -0.111 0.000 0.745 414 L CB -1.140 40.838 42.059 -0.136 0.000 0.894 414 L HN 0.328 nan 8.230 nan 0.000 0.432 415 A N -0.583 122.130 122.820 -0.179 0.000 1.883 415 A HA -0.131 4.216 4.320 0.046 0.000 0.217 415 A C 2.341 179.932 177.584 0.012 0.000 1.186 415 A CA 1.790 53.678 52.037 -0.248 0.000 0.624 415 A CB -1.630 16.948 19.000 -0.704 0.000 0.822 415 A HN 0.539 nan 8.150 nan 0.000 0.444 416 G N -0.796 108.066 108.800 0.103 0.000 2.404 416 G HA2 -0.187 3.800 3.960 0.046 0.000 0.215 416 G HA3 -0.187 3.800 3.960 0.046 0.000 0.215 416 G C 1.672 176.648 174.900 0.126 0.000 1.174 416 G CA 0.786 46.016 45.100 0.217 0.000 0.780 416 G HN 0.399 nan 8.290 nan 0.000 0.537 417 R N 0.323 120.866 120.500 0.073 0.000 2.075 417 R HA 0.116 4.484 4.340 0.046 0.000 0.232 417 R C 2.672 179.035 176.300 0.104 0.000 1.126 417 R CA 0.515 56.666 56.100 0.086 0.000 0.963 417 R CB -1.262 29.086 30.300 0.079 0.000 0.858 417 R HN 0.400 nan 8.270 nan 0.000 0.435 418 L N 0.393 121.620 121.223 0.007 0.000 2.012 418 L HA -0.161 4.207 4.340 0.046 0.000 0.210 418 L C 2.628 179.548 176.870 0.082 0.000 1.073 418 L CA 1.576 56.391 54.840 -0.043 0.000 0.748 418 L CB -0.720 41.217 42.059 -0.204 0.000 0.891 418 L HN 0.159 nan 8.230 nan 0.000 0.431 419 A N 0.003 122.880 122.820 0.094 0.000 1.873 419 A HA -0.145 4.203 4.320 0.046 0.000 0.215 419 A C 2.534 180.171 177.584 0.090 0.000 1.186 419 A CA 1.659 53.757 52.037 0.102 0.000 0.616 419 A CB -0.786 18.305 19.000 0.152 0.000 0.823 419 A HN 0.392 nan 8.150 nan 0.000 0.442 420 A N -1.115 121.762 122.820 0.097 0.000 1.978 420 A HA -0.161 4.186 4.320 0.046 0.000 0.220 420 A C 1.811 179.449 177.584 0.090 0.000 1.170 420 A CA 1.671 53.756 52.037 0.080 0.000 0.636 420 A CB -0.335 18.712 19.000 0.079 0.000 0.810 420 A HN 0.625 nan 8.150 nan 0.000 0.448 421 Q N -1.952 117.932 119.800 0.140 0.000 2.206 421 Q HA 0.407 4.774 4.340 0.046 0.000 0.265 421 Q C 0.799 176.899 176.000 0.167 0.000 0.866 421 Q CA 0.348 56.242 55.803 0.151 0.000 1.073 421 Q CB 0.535 29.396 28.738 0.204 0.000 1.165 421 Q HN 0.767 nan 8.270 nan 0.000 0.465 422 G N -0.263 108.615 108.800 0.128 0.000 2.259 422 G HA2 -0.251 3.736 3.960 0.046 0.000 0.217 422 G HA3 -0.251 3.736 3.960 0.046 0.000 0.217 422 G C 0.356 175.325 174.900 0.115 0.000 1.001 422 G CA -0.276 44.888 45.100 0.105 0.000 0.627 422 G HN 0.536 nan 8.290 nan 0.000 0.501 423 A N 0.420 123.330 122.820 0.150 0.000 2.366 423 A HA 0.694 5.041 4.320 0.046 0.000 0.249 423 A C 0.666 178.284 177.584 0.057 0.000 1.084 423 A CA 0.559 52.664 52.037 0.113 0.000 0.794 423 A CB 0.348 19.394 19.000 0.077 0.000 1.034 423 A HN 0.704 nan 8.150 nan 0.000 0.491 424 R N 1.169 121.700 120.500 0.052 0.000 2.265 424 R HA 0.543 4.910 4.340 0.046 0.000 0.319 424 R C -1.657 174.630 176.300 -0.021 0.000 1.006 424 R CA -0.195 55.903 56.100 -0.003 0.000 0.880 424 R CB 0.705 31.032 30.300 0.044 0.000 1.077 424 R HN 0.478 nan 8.270 nan 0.000 0.454 425 V N 5.567 125.383 119.914 -0.164 0.000 2.638 425 V HA 0.400 4.548 4.120 0.046 0.000 0.306 425 V C -1.335 174.569 176.094 -0.316 0.000 1.052 425 V CA -0.808 61.423 62.300 -0.114 0.000 0.885 425 V CB 1.737 33.563 31.823 0.006 0.000 0.999 425 V HN 0.677 nan 8.190 nan 0.000 0.424 426 Y N 2.350 122.603 120.300 -0.078 0.000 2.350 426 Y HA 0.790 5.368 4.550 0.046 0.000 0.338 426 Y C 0.361 176.301 175.900 0.067 0.000 0.961 426 Y CA -0.484 57.553 58.100 -0.104 0.000 1.100 426 Y CB 2.180 40.260 38.460 -0.633 0.000 1.179 426 Y HN 0.774 nan 8.280 nan 0.000 0.454 427 A N 3.398 126.511 122.820 0.489 0.000 2.356 427 A HA 0.888 5.236 4.320 0.046 0.000 0.323 427 A C -1.711 176.254 177.584 0.636 0.000 1.119 427 A CA -0.653 51.586 52.037 0.337 0.000 0.790 427 A CB 0.974 19.994 19.000 0.034 0.000 1.273 427 A HN 0.753 nan 8.150 nan 0.000 0.452 428 Y N -0.904 119.634 120.300 0.396 0.000 2.625 428 Y HA 0.780 5.357 4.550 0.045 0.000 0.338 428 Y C -1.211 174.872 175.900 0.304 0.000 1.123 428 Y CA -1.563 56.749 58.100 0.353 0.000 1.046 428 Y CB 1.256 39.933 38.460 0.361 0.000 1.299 428 Y HN 0.695 nan 8.280 nan 0.000 0.464 429 I N 3.035 123.930 120.570 0.540 0.000 2.465 429 I HA 0.483 4.681 4.170 0.046 0.000 0.291 429 I C -1.796 174.657 176.117 0.560 0.000 1.014 429 I CA -1.054 60.519 61.300 0.455 0.000 1.093 429 I CB 1.206 39.411 38.000 0.341 0.000 1.267 429 I HN 0.747 nan 8.210 nan 0.000 0.431 430 F N 7.046 127.272 119.950 0.461 0.000 2.411 430 F HA 0.395 4.950 4.527 0.047 0.000 0.350 430 F C 0.671 176.622 175.800 0.253 0.000 1.114 430 F CA 0.206 58.422 58.000 0.359 0.000 1.135 430 F CB 0.992 40.217 39.000 0.375 0.000 1.120 430 F HN 0.568 nan 8.300 nan 0.000 0.495 431 E N 2.406 122.410 120.200 -0.327 0.000 2.641 431 E HA -0.034 4.344 4.350 0.046 0.000 0.224 431 E C -0.785 175.671 176.600 -0.241 0.000 0.951 431 E CA -0.174 56.136 56.400 -0.149 0.000 1.102 431 E CB 0.317 29.975 29.700 -0.070 0.000 1.091 431 E HN 0.518 nan 8.360 nan 0.000 0.507 432 H N 1.897 120.565 119.070 -0.670 0.000 2.742 432 H HA 0.175 4.758 4.556 0.046 0.000 0.302 432 H C -0.301 174.986 175.328 -0.069 0.000 1.069 432 H CA -0.118 55.654 56.048 -0.460 0.000 1.446 432 H CB 0.398 29.723 29.762 -0.730 0.000 1.462 432 H HN -0.145 nan 8.280 nan 0.000 0.499 433 R N 4.267 124.451 120.500 -0.527 0.000 2.221 433 R HA 0.466 4.834 4.340 0.046 0.000 0.327 433 R C -0.585 175.457 176.300 -0.431 0.000 1.033 433 R CA -0.622 55.320 56.100 -0.263 0.000 0.887 433 R CB 0.346 30.576 30.300 -0.117 0.000 1.057 433 R HN 0.805 nan 8.270 nan 0.000 0.455 434 A N 3.109 125.975 122.820 0.075 0.000 2.540 434 A HA 0.011 4.358 4.320 0.046 0.000 0.239 434 A C 1.367 179.053 177.584 0.169 0.000 1.061 434 A CA 0.473 52.747 52.037 0.394 0.000 0.758 434 A CB 0.342 19.713 19.000 0.617 0.000 0.991 434 A HN 1.020 nan 8.150 nan 0.000 0.502 435 S N 1.520 117.355 115.700 0.225 0.000 2.399 435 S HA -0.180 4.318 4.470 0.046 0.000 0.231 435 S C 1.472 176.067 174.600 -0.007 0.000 1.022 435 S CA 1.713 59.969 58.200 0.094 0.000 0.983 435 S CB -0.990 62.285 63.200 0.125 0.000 0.803 435 S HN 1.294 nan 8.310 nan 0.000 0.480 436 T N -0.542 113.963 114.554 -0.081 0.000 3.148 436 T HA 0.300 4.678 4.350 0.046 0.000 0.253 436 T C 0.384 175.017 174.700 -0.113 0.000 1.134 436 T CA -0.432 61.559 62.100 -0.183 0.000 1.051 436 T CB -0.619 67.992 68.868 -0.428 0.000 0.959 436 T HN 0.245 nan 8.240 nan 0.000 0.525 437 L N 3.740 124.937 121.223 -0.045 0.000 2.455 437 L HA 0.273 4.641 4.340 0.046 0.000 0.272 437 L C 1.458 178.293 176.870 -0.058 0.000 1.174 437 L CA 0.646 55.454 54.840 -0.053 0.000 0.869 437 L CB 0.822 42.854 42.059 -0.044 0.000 1.130 437 L HN 0.386 nan 8.230 nan 0.000 0.474 438 T N -0.220 114.273 114.554 -0.103 0.000 3.044 438 T HA 0.092 4.470 4.350 0.046 0.000 0.250 438 T C 0.371 175.089 174.700 0.029 0.000 1.081 438 T CA -0.313 61.729 62.100 -0.097 0.000 1.040 438 T CB -0.326 68.353 68.868 -0.315 0.000 0.962 438 T HN 0.436 nan 8.240 nan 0.000 0.506 439 W N 3.461 124.787 121.300 0.042 0.000 2.126 439 W HA 0.406 5.094 4.660 0.046 0.000 0.346 439 W C -1.894 174.549 176.519 -0.127 0.000 1.279 439 W CA -2.128 55.216 57.345 -0.002 0.000 1.259 439 W CB 0.138 29.532 29.460 -0.110 0.000 1.133 439 W HN -0.039 nan 8.180 nan 0.000 0.592 440 P HA 0.008 nan 4.420 nan 0.000 0.274 440 P C 0.448 177.688 177.300 -0.100 0.000 1.260 440 P CA 0.004 63.081 63.100 -0.037 0.000 0.793 440 P CB 0.853 32.541 31.700 -0.021 0.000 1.048 441 L N -0.427 120.792 121.223 -0.007 0.000 2.141 441 L HA -0.088 4.280 4.340 0.046 0.000 0.209 441 L C 2.485 179.383 176.870 0.046 0.000 1.094 441 L CA 1.238 56.091 54.840 0.021 0.000 0.763 441 L CB -0.899 41.198 42.059 0.064 0.000 0.908 441 L HN 0.593 nan 8.230 nan 0.000 0.437 442 W N -1.299 120.046 121.300 0.075 0.000 2.611 442 W HA -0.096 4.591 4.660 0.045 0.000 0.251 442 W C 1.527 178.108 176.519 0.104 0.000 1.265 442 W CA 0.356 57.748 57.345 0.079 0.000 1.295 442 W CB -0.662 28.846 29.460 0.080 0.000 1.129 442 W HN 0.205 nan 8.180 nan 0.000 0.630 443 M N 1.153 120.455 119.600 -0.497 0.000 2.556 443 M HA 0.160 4.668 4.480 0.046 0.000 0.245 443 M C 1.829 178.059 176.300 -0.117 0.000 1.128 443 M CA 1.214 56.212 55.300 -0.504 0.000 1.069 443 M CB -0.334 31.802 32.600 -0.774 0.000 1.469 443 M HN 0.158 nan 8.290 nan 0.000 0.494 444 G N 0.844 109.621 108.800 -0.038 0.000 2.596 444 G HA2 -0.296 3.692 3.960 0.046 0.000 0.304 444 G HA3 -0.296 3.692 3.960 0.046 0.000 0.304 444 G C -0.075 174.848 174.900 0.038 0.000 1.189 444 G CA -0.027 45.092 45.100 0.032 0.000 0.986 444 G HN 0.239 nan 8.290 nan 0.000 0.548 445 V N 3.795 123.771 119.914 0.103 0.000 2.288 445 V HA 0.473 4.620 4.120 0.046 0.000 0.266 445 V C -1.825 174.401 176.094 0.220 0.000 1.048 445 V CA -0.809 61.600 62.300 0.181 0.000 0.842 445 V CB 1.066 33.038 31.823 0.249 0.000 1.064 445 V HN 0.537 nan 8.190 nan 0.000 0.472 446 P HA 0.202 nan 4.420 nan 0.000 0.276 446 P C -0.213 177.287 177.300 0.333 0.000 1.244 446 P CA -0.568 62.662 63.100 0.218 0.000 0.801 446 P CB 0.385 32.127 31.700 0.069 0.000 1.006 447 H N 1.012 120.163 119.070 0.135 0.000 3.195 447 H HA 0.175 4.758 4.556 0.046 0.000 0.302 447 H C 1.568 176.785 175.328 -0.185 0.000 0.950 447 H CA 2.467 58.525 56.048 0.017 0.000 1.398 447 H CB -0.695 29.083 29.762 0.026 0.000 1.377 447 H HN 0.785 nan 8.280 nan 0.000 0.572 448 G N 3.416 111.882 108.800 -0.557 0.000 2.213 448 G HA2 -0.310 3.677 3.960 0.046 0.000 0.236 448 G HA3 -0.310 3.677 3.960 0.046 0.000 0.236 448 G C 0.539 175.221 174.900 -0.363 0.000 0.991 448 G CA 0.341 45.078 45.100 -0.605 0.000 0.629 448 G HN 0.643 nan 8.290 nan 0.000 0.517 449 Y N 1.538 121.896 120.300 0.098 0.000 2.470 449 Y HA 0.263 4.841 4.550 0.047 0.000 0.284 449 Y C 2.271 178.277 175.900 0.177 0.000 1.188 449 Y CA 0.804 59.036 58.100 0.220 0.000 1.269 449 Y CB 0.418 39.055 38.460 0.294 0.000 1.094 449 Y HN 0.485 nan 8.280 nan 0.000 0.518 450 E N 0.364 120.508 120.200 -0.093 0.000 2.340 450 E HA -0.065 4.313 4.350 0.046 0.000 0.194 450 E C 1.612 178.087 176.600 -0.210 0.000 0.996 450 E CA 0.660 56.691 56.400 -0.615 0.000 0.869 450 E CB -0.381 28.575 29.700 -1.240 0.000 0.835 450 E HN 0.539 nan 8.360 nan 0.000 0.493 451 I N 2.965 123.500 120.570 -0.059 0.000 2.118 451 I HA -0.330 3.868 4.170 0.046 0.000 0.241 451 I C 2.755 178.859 176.117 -0.023 0.000 1.070 451 I CA 2.263 63.577 61.300 0.024 0.000 1.327 451 I CB -0.579 37.501 38.000 0.134 0.000 1.034 451 I HN 0.223 nan 8.210 nan 0.000 0.405 452 E N 1.079 121.211 120.200 -0.113 0.000 2.219 452 E HA -0.248 4.130 4.350 0.046 0.000 0.198 452 E C 2.032 178.373 176.600 -0.431 0.000 0.998 452 E CA 1.576 57.805 56.400 -0.285 0.000 0.818 452 E CB -0.531 28.977 29.700 -0.320 0.000 0.741 452 E HN 0.465 nan 8.360 nan 0.000 0.477 453 F N 1.362 121.182 119.950 -0.215 0.000 2.149 453 F HA -0.026 4.530 4.527 0.047 0.000 0.294 453 F C 2.413 177.964 175.800 -0.414 0.000 1.095 453 F CA 0.506 58.316 58.000 -0.317 0.000 1.276 453 F CB -0.222 38.638 39.000 -0.232 0.000 1.023 453 F HN -0.057 nan 8.300 nan 0.000 0.480 454 I N -0.595 119.795 120.570 -0.300 0.000 2.248 454 I HA -0.315 3.883 4.170 0.046 0.000 0.248 454 I C 2.188 178.056 176.117 -0.415 0.000 1.107 454 I CA 1.785 62.750 61.300 -0.557 0.000 1.373 454 I CB -1.562 35.968 38.000 -0.784 0.000 1.055 454 I HN 0.099 nan 8.210 nan 0.000 0.418 455 F N 0.733 120.496 119.950 -0.311 0.000 2.661 455 F HA 0.191 4.745 4.527 0.046 0.000 0.298 455 F C 1.920 177.591 175.800 -0.216 0.000 1.137 455 F CA 0.991 58.853 58.000 -0.231 0.000 1.454 455 F CB -0.105 38.742 39.000 -0.255 0.000 1.103 455 F HN 0.302 nan 8.300 nan 0.000 0.577 456 G N -0.286 108.366 108.800 -0.247 0.000 2.131 456 G HA2 -0.263 3.725 3.960 0.046 0.000 0.223 456 G HA3 -0.263 3.725 3.960 0.046 0.000 0.223 456 G C 0.915 175.213 174.900 -1.004 0.000 0.990 456 G CA 0.211 45.030 45.100 -0.468 0.000 0.671 456 G HN 0.261 nan 8.290 nan 0.000 0.521 457 L N 0.548 121.256 121.223 -0.858 0.000 2.131 457 L HA 0.087 4.455 4.340 0.046 0.000 0.210 457 L C 0.229 176.568 176.870 -0.886 0.000 1.092 457 L CA 2.550 56.840 54.840 -0.916 0.000 0.759 457 L CB -0.788 40.972 42.059 -0.497 0.000 0.903 457 L HN 0.189 nan 8.230 nan 0.000 0.435 458 P HA -0.127 nan 4.420 nan 0.000 0.231 458 P C 1.366 178.419 177.300 -0.411 0.000 1.158 458 P CA 0.804 63.377 63.100 -0.879 0.000 0.763 458 P CB 0.073 31.263 31.700 -0.849 0.000 0.805 459 L N -1.325 119.581 121.223 -0.529 0.000 2.552 459 L HA 0.037 4.405 4.340 0.046 0.000 0.227 459 L C 0.830 177.609 176.870 -0.151 0.000 1.146 459 L CA 0.983 55.636 54.840 -0.311 0.000 0.858 459 L CB -1.002 40.874 42.059 -0.305 0.000 0.969 459 L HN -0.077 nan 8.230 nan 0.000 0.451 460 D N -0.179 120.107 120.400 -0.191 0.000 2.365 460 D HA 0.112 4.779 4.640 0.046 0.000 0.237 460 D C -1.635 174.691 176.300 0.043 0.000 1.190 460 D CA -2.046 51.982 54.000 0.047 0.000 0.867 460 D CB 1.601 42.480 40.800 0.132 0.000 1.050 460 D HN -0.032 nan 8.370 nan 0.000 0.491 461 P HA -0.126 nan 4.420 nan 0.000 0.218 461 P C 1.227 178.549 177.300 0.037 0.000 1.149 461 P CA 0.898 64.023 63.100 0.041 0.000 0.817 461 P CB 0.083 31.802 31.700 0.032 0.000 0.785 462 S N -1.350 114.371 115.700 0.035 0.000 2.595 462 S HA -0.031 4.467 4.470 0.046 0.000 0.235 462 S C 1.609 176.211 174.600 0.004 0.000 0.974 462 S CA 0.632 58.841 58.200 0.016 0.000 0.942 462 S CB -1.358 61.850 63.200 0.014 0.000 0.766 462 S HN 0.101 nan 8.310 nan 0.000 0.536 463 L N 0.408 121.648 121.223 0.029 0.000 2.529 463 L HA 0.228 4.596 4.340 0.046 0.000 0.223 463 L C 0.210 177.019 176.870 -0.103 0.000 1.113 463 L CA -0.031 54.809 54.840 0.001 0.000 0.861 463 L CB -0.426 41.705 42.059 0.120 0.000 1.012 463 L HN 0.230 nan 8.230 nan 0.000 0.461 464 N N -1.919 116.757 118.700 -0.039 0.000 2.869 464 N HA -0.217 4.550 4.740 0.046 0.000 0.249 464 N C -0.605 174.846 175.510 -0.097 0.000 1.104 464 N CA 0.711 53.716 53.050 -0.075 0.000 0.760 464 N CB -1.941 36.477 38.487 -0.116 0.000 1.108 464 N HN 0.239 nan 8.380 nan 0.000 0.555 465 Y N 1.091 121.380 120.300 -0.019 0.000 2.336 465 Y HA 0.208 4.785 4.550 0.046 0.000 0.331 465 Y C 1.880 177.805 175.900 0.040 0.000 1.211 465 Y CA 0.162 58.274 58.100 0.019 0.000 1.346 465 Y CB 0.583 39.040 38.460 -0.006 0.000 1.271 465 Y HN 0.107 nan 8.280 nan 0.000 0.538 466 T N -2.107 112.591 114.554 0.240 0.000 2.856 466 T HA -0.047 4.330 4.350 0.046 0.000 0.306 466 T C 1.266 176.050 174.700 0.139 0.000 1.062 466 T CA -0.042 62.150 62.100 0.154 0.000 1.083 466 T CB 1.082 70.035 68.868 0.141 0.000 0.984 466 T HN 0.819 nan 8.240 nan 0.000 0.542 467 T N 0.460 115.064 114.554 0.085 0.000 2.915 467 T HA -0.065 4.313 4.350 0.046 0.000 0.269 467 T C 1.574 176.307 174.700 0.055 0.000 1.071 467 T CA 1.577 63.713 62.100 0.061 0.000 1.132 467 T CB -0.518 68.373 68.868 0.038 0.000 0.878 467 T HN 0.774 nan 8.240 nan 0.000 0.479 468 E N 1.056 121.286 120.200 0.050 0.000 2.106 468 E HA -0.058 4.320 4.350 0.046 0.000 0.192 468 E C 2.220 178.848 176.600 0.048 0.000 0.984 468 E CA 1.112 57.524 56.400 0.019 0.000 0.806 468 E CB -0.138 29.548 29.700 -0.023 0.000 0.750 468 E HN 0.620 nan 8.360 nan 0.000 0.458 469 E N 0.275 120.548 120.200 0.122 0.000 2.150 469 E HA -0.149 4.228 4.350 0.046 0.000 0.193 469 E C 2.090 178.823 176.600 0.221 0.000 0.985 469 E CA 0.448 57.009 56.400 0.269 0.000 0.814 469 E CB 0.023 30.019 29.700 0.495 0.000 0.752 469 E HN 0.040 nan 8.360 nan 0.000 0.466 470 R N 0.959 121.522 120.500 0.105 0.000 2.073 470 R HA -0.126 4.242 4.340 0.046 0.000 0.234 470 R C 2.170 178.478 176.300 0.014 0.000 1.134 470 R CA 1.108 57.215 56.100 0.011 0.000 0.952 470 R CB -0.339 29.963 30.300 0.003 0.000 0.850 470 R HN 0.196 nan 8.270 nan 0.000 0.433 471 I N 0.424 121.020 120.570 0.044 0.000 2.226 471 I HA -0.276 3.922 4.170 0.046 0.000 0.245 471 I C 2.243 178.406 176.117 0.076 0.000 1.100 471 I CA 0.934 62.255 61.300 0.036 0.000 1.374 471 I CB -0.361 37.657 38.000 0.030 0.000 1.057 471 I HN 0.100 nan 8.210 nan 0.000 0.413 472 F N 1.871 121.775 119.950 -0.077 0.000 2.069 472 F HA -0.279 4.277 4.527 0.048 0.000 0.298 472 F C 2.473 178.248 175.800 -0.042 0.000 1.113 472 F CA 1.389 59.330 58.000 -0.098 0.000 1.214 472 F CB -0.883 37.996 39.000 -0.202 0.000 0.978 472 F HN 0.050 nan 8.300 nan 0.000 0.474 473 A N 0.181 122.948 122.820 -0.088 0.000 1.917 473 A HA -0.283 4.065 4.320 0.046 0.000 0.219 473 A C 2.148 179.601 177.584 -0.219 0.000 1.182 473 A CA 2.083 54.005 52.037 -0.191 0.000 0.633 473 A CB -0.972 17.933 19.000 -0.158 0.000 0.819 473 A HN 0.656 nan 8.150 nan 0.000 0.448 474 Q N -1.027 118.685 119.800 -0.147 0.000 2.124 474 Q HA -0.154 4.213 4.340 0.046 0.000 0.202 474 Q C 2.363 178.260 176.000 -0.173 0.000 0.977 474 Q CA 1.320 57.043 55.803 -0.132 0.000 0.850 474 Q CB -0.200 28.489 28.738 -0.082 0.000 0.901 474 Q HN 0.629 nan 8.270 nan 0.000 0.429 475 R N 0.489 120.874 120.500 -0.192 0.000 2.083 475 R HA -0.103 4.265 4.340 0.046 0.000 0.237 475 R C 2.309 178.315 176.300 -0.490 0.000 1.137 475 R CA 1.174 57.080 56.100 -0.323 0.000 0.951 475 R CB -0.215 29.979 30.300 -0.177 0.000 0.851 475 R HN 0.256 nan 8.270 nan 0.000 0.434 476 L N -0.196 120.826 121.223 -0.334 0.000 2.109 476 L HA -0.124 4.244 4.340 0.046 0.000 0.207 476 L C 2.425 179.241 176.870 -0.090 0.000 1.086 476 L CA 1.089 55.827 54.840 -0.170 0.000 0.760 476 L CB -0.335 41.499 42.059 -0.376 0.000 0.910 476 L HN 0.255 nan 8.230 nan 0.000 0.437 477 M N -0.667 118.828 119.600 -0.176 0.000 2.229 477 M HA -0.163 4.344 4.480 0.046 0.000 0.264 477 M C 2.288 178.582 176.300 -0.010 0.000 1.063 477 M CA 1.446 56.678 55.300 -0.113 0.000 1.114 477 M CB -0.268 32.253 32.600 -0.132 0.000 1.387 477 M HN 0.067 nan 8.290 nan 0.000 0.420 478 K N -0.075 120.283 120.400 -0.070 0.000 2.057 478 K HA -0.130 4.218 4.320 0.046 0.000 0.206 478 K C 1.912 178.568 176.600 0.094 0.000 1.050 478 K CA 1.643 57.903 56.287 -0.045 0.000 0.935 478 K CB -0.264 32.146 32.500 -0.150 0.000 0.715 478 K HN 0.300 nan 8.250 nan 0.000 0.439 479 Y N -0.162 120.272 120.300 0.224 0.000 2.114 479 Y HA -0.232 4.345 4.550 0.046 0.000 0.284 479 Y C 2.458 178.489 175.900 0.218 0.000 1.143 479 Y CA 0.789 59.050 58.100 0.268 0.000 1.135 479 Y CB -0.962 37.799 38.460 0.503 0.000 0.980 479 Y HN 0.213 nan 8.280 nan 0.000 0.499 480 W N 0.769 122.154 121.300 0.142 0.000 2.335 480 W HA -0.258 4.430 4.660 0.045 0.000 0.311 480 W C 2.491 179.015 176.519 0.008 0.000 1.213 480 W CA 2.475 59.836 57.345 0.026 0.000 1.274 480 W CB -0.750 28.652 29.460 -0.097 0.000 1.148 480 W HN 0.250 nan 8.180 nan 0.000 0.498 481 T N -2.224 112.438 114.554 0.180 0.000 2.904 481 T HA -0.129 4.248 4.350 0.046 0.000 0.267 481 T C 1.455 176.181 174.700 0.044 0.000 1.059 481 T CA 1.108 63.244 62.100 0.061 0.000 1.137 481 T CB -0.596 68.288 68.868 0.026 0.000 0.879 481 T HN -0.043 nan 8.240 nan 0.000 0.467 482 N N 0.893 119.640 118.700 0.078 0.000 2.120 482 N HA 0.000 4.768 4.740 0.046 0.000 0.188 482 N C 1.424 176.930 175.510 -0.007 0.000 1.024 482 N CA 0.966 54.040 53.050 0.039 0.000 0.852 482 N CB -0.623 37.907 38.487 0.072 0.000 1.003 482 N HN 0.447 nan 8.380 nan 0.000 0.424 483 F N 1.913 121.777 119.950 -0.144 0.000 2.095 483 F HA -0.178 4.377 4.527 0.047 0.000 0.298 483 F C 2.211 177.925 175.800 -0.142 0.000 1.104 483 F CA 1.534 59.397 58.000 -0.228 0.000 1.232 483 F CB -0.471 38.303 39.000 -0.376 0.000 0.987 483 F HN 0.038 nan 8.300 nan 0.000 0.475 484 A N 0.494 123.230 122.820 -0.140 0.000 1.908 484 A HA -0.208 4.140 4.320 0.046 0.000 0.218 484 A C 2.353 179.821 177.584 -0.194 0.000 1.181 484 A CA 1.855 53.783 52.037 -0.182 0.000 0.627 484 A CB -0.738 18.226 19.000 -0.061 0.000 0.818 484 A HN 0.478 nan 8.150 nan 0.000 0.445 485 R N -1.252 119.167 120.500 -0.136 0.000 2.092 485 R HA -0.064 4.304 4.340 0.046 0.000 0.231 485 R C 1.782 177.997 176.300 -0.142 0.000 1.119 485 R CA 1.774 57.810 56.100 -0.107 0.000 0.970 485 R CB -0.138 30.126 30.300 -0.060 0.000 0.864 485 R HN 0.747 nan 8.270 nan 0.000 0.440 486 T N -6.046 108.393 114.554 -0.192 0.000 3.009 486 T HA 0.228 4.606 4.350 0.046 0.000 0.267 486 T C 1.182 175.749 174.700 -0.222 0.000 0.942 486 T CA 0.339 62.341 62.100 -0.163 0.000 0.883 486 T CB 1.296 70.106 68.868 -0.097 0.000 1.192 486 T HN 0.287 nan 8.240 nan 0.000 0.524 487 G N 1.460 109.993 108.800 -0.445 0.000 2.168 487 G HA2 -0.198 3.790 3.960 0.046 0.000 0.263 487 G HA3 -0.198 3.790 3.960 0.046 0.000 0.263 487 G C -0.316 174.481 174.900 -0.172 0.000 0.977 487 G CA 0.333 45.100 45.100 -0.556 0.000 0.659 487 G HN 0.797 nan 8.290 nan 0.000 0.533 488 D N -0.472 119.830 120.400 -0.163 0.000 2.686 488 D HA 0.444 5.112 4.640 0.046 0.000 0.249 488 D C -1.590 174.545 176.300 -0.274 0.000 1.260 488 D CA -1.677 52.191 54.000 -0.219 0.000 0.910 488 D CB 2.159 42.925 40.800 -0.057 0.000 1.323 488 D HN 0.026 nan 8.370 nan 0.000 0.561 489 P HA 0.005 nan 4.420 nan 0.000 0.245 489 P C -0.055 177.246 177.300 0.001 0.000 1.212 489 P CA -0.014 62.895 63.100 -0.318 0.000 0.774 489 P CB 0.376 31.559 31.700 -0.862 0.000 0.999 490 N N 1.586 120.266 118.700 -0.033 0.000 2.530 490 N HA 0.032 4.799 4.740 0.046 0.000 0.273 490 N C 0.052 175.638 175.510 0.126 0.000 1.173 490 N CA 0.118 53.249 53.050 0.135 0.000 0.967 490 N CB 0.527 39.086 38.487 0.120 0.000 1.109 490 N HN -0.007 nan 8.380 nan 0.000 0.453 491 D N 2.413 122.911 120.400 0.164 0.000 2.412 491 D HA 0.027 4.695 4.640 0.046 0.000 0.257 491 D C -1.382 174.963 176.300 0.076 0.000 1.217 491 D CA -1.087 52.976 54.000 0.106 0.000 0.897 491 D CB 0.964 41.824 40.800 0.100 0.000 1.132 491 D HN 0.325 nan 8.370 nan 0.000 0.493 492 P HA 0.033 nan 4.420 nan 0.000 0.249 492 P C 0.653 177.975 177.300 0.037 0.000 1.229 492 P CA 0.482 63.607 63.100 0.041 0.000 0.788 492 P CB 0.464 32.179 31.700 0.025 0.000 1.072 493 R N -0.702 119.822 120.500 0.039 0.000 2.568 493 R HA 0.078 4.446 4.340 0.046 0.000 0.254 493 R C 0.658 176.981 176.300 0.039 0.000 0.925 493 R CA 0.124 56.245 56.100 0.034 0.000 1.025 493 R CB -1.119 29.197 30.300 0.026 0.000 1.428 493 R HN 0.210 nan 8.270 nan 0.000 0.573 494 D N 1.535 121.963 120.400 0.047 0.000 2.382 494 D HA 0.034 4.701 4.640 0.046 0.000 0.259 494 D C -0.411 175.925 176.300 0.059 0.000 1.224 494 D CA 0.552 54.584 54.000 0.052 0.000 0.894 494 D CB 0.969 41.806 40.800 0.062 0.000 1.127 494 D HN 0.323 nan 8.370 nan 0.000 0.487 495 S N 3.508 119.238 115.700 0.051 0.000 2.632 495 S HA 0.316 4.814 4.470 0.046 0.000 0.267 495 S C -0.436 174.198 174.600 0.056 0.000 1.276 495 S CA -0.361 57.871 58.200 0.052 0.000 0.998 495 S CB 0.568 63.793 63.200 0.042 0.000 0.953 495 S HN 0.607 nan 8.310 nan 0.000 0.547 496 K N 0.912 121.347 120.400 0.058 0.000 7.036 496 K HA -0.139 4.209 4.320 0.046 0.000 0.759 496 K C 0.273 176.918 176.600 0.075 0.000 2.417 496 K CA 1.033 57.355 56.287 0.059 0.000 1.750 496 K CB -1.241 31.287 32.500 0.045 0.000 1.984 496 K HN 0.760 nan 8.250 nan 0.000 0.300 497 S N 2.115 117.866 115.700 0.085 0.000 3.448 497 S HA 0.347 4.845 4.470 0.046 0.000 0.254 497 S C -1.799 172.850 174.600 0.083 0.000 1.102 497 S CA -0.046 58.218 58.200 0.106 0.000 0.797 497 S CB -0.368 62.928 63.200 0.161 0.000 0.891 497 S HN 0.605 nan 8.310 nan 0.000 0.474 498 P HA 0.318 nan 4.420 nan 0.000 0.275 498 P C -0.789 176.575 177.300 0.107 0.000 1.266 498 P CA -0.195 62.949 63.100 0.074 0.000 0.793 498 P CB 0.373 32.102 31.700 0.049 0.000 1.074 499 Q N -0.692 119.183 119.800 0.124 0.000 2.373 499 Q HA 0.061 4.428 4.340 0.046 0.000 0.255 499 Q C -0.351 175.795 176.000 0.243 0.000 0.980 499 Q CA 0.150 56.063 55.803 0.184 0.000 0.882 499 Q CB 0.484 29.323 28.738 0.169 0.000 1.249 499 Q HN 0.529 nan 8.270 nan 0.000 0.438 500 W N 6.249 127.593 121.300 0.073 0.000 2.546 500 W HA 0.204 4.893 4.660 0.048 0.000 0.323 500 W C -2.349 174.301 176.519 0.217 0.000 1.272 500 W CA -2.284 55.116 57.345 0.092 0.000 1.404 500 W CB 0.068 29.520 29.460 -0.012 0.000 1.411 500 W HN 0.392 nan 8.180 nan 0.000 0.480 501 P HA 0.269 nan 4.420 nan 0.000 0.281 501 P C -2.631 174.862 177.300 0.322 0.000 1.249 501 P CA -1.881 61.438 63.100 0.366 0.000 0.810 501 P CB 0.784 32.613 31.700 0.216 0.000 1.008 502 P HA 0.023 nan 4.420 nan 0.000 0.265 502 P C -0.459 176.815 177.300 -0.044 0.000 1.193 502 P CA 0.272 63.167 63.100 -0.341 0.000 0.765 502 P CB -0.070 31.432 31.700 -0.331 0.000 0.823 503 Y N 3.633 123.864 120.300 -0.114 0.000 2.526 503 Y HA 0.286 4.863 4.550 0.045 0.000 0.330 503 Y C 0.573 176.453 175.900 -0.033 0.000 1.156 503 Y CA 0.890 58.992 58.100 0.003 0.000 1.419 503 Y CB 0.308 38.790 38.460 0.037 0.000 1.250 503 Y HN 0.430 nan 8.280 nan 0.000 0.540 504 T N 0.141 114.412 114.554 -0.470 0.000 2.896 504 T HA 0.265 4.642 4.350 0.046 0.000 0.297 504 T C 0.729 175.155 174.700 -0.457 0.000 1.108 504 T CA -0.240 61.680 62.100 -0.301 0.000 1.004 504 T CB 1.277 70.047 68.868 -0.162 0.000 1.159 504 T HN 0.610 nan 8.240 nan 0.000 0.499 505 T N -0.381 114.053 114.554 -0.200 0.000 2.857 505 T HA 0.081 4.459 4.350 0.046 0.000 0.266 505 T C 2.285 176.916 174.700 -0.115 0.000 1.048 505 T CA 0.878 62.900 62.100 -0.130 0.000 1.139 505 T CB -0.822 68.036 68.868 -0.016 0.000 0.874 505 T HN 0.894 nan 8.240 nan 0.000 0.455 506 A N 2.375 125.138 122.820 -0.094 0.000 1.829 506 A HA 0.257 4.605 4.320 0.046 0.000 0.216 506 A C 2.787 180.324 177.584 -0.079 0.000 1.207 506 A CA 2.129 54.128 52.037 -0.064 0.000 0.622 506 A CB -1.480 17.492 19.000 -0.045 0.000 0.846 506 A HN 0.701 nan 8.150 nan 0.000 0.447 507 A N -2.788 119.969 122.820 -0.104 0.000 2.021 507 A HA 0.155 4.502 4.320 0.046 0.000 0.216 507 A C 1.164 178.684 177.584 -0.108 0.000 1.163 507 A CA 1.209 53.198 52.037 -0.080 0.000 0.676 507 A CB -0.342 18.625 19.000 -0.056 0.000 0.818 507 A HN 0.639 nan 8.150 nan 0.000 0.453 508 Q N -0.869 118.760 119.800 -0.284 0.000 2.494 508 Q HA -0.209 4.159 4.340 0.046 0.000 0.272 508 Q C -0.725 175.286 176.000 0.018 0.000 1.145 508 Q CA 0.745 56.316 55.803 -0.385 0.000 0.943 508 Q CB -1.658 27.033 28.738 -0.079 0.000 1.338 508 Q HN 0.874 nan 8.270 nan 0.000 0.492 509 Q N 0.197 120.016 119.800 0.031 0.000 2.299 509 Q HA 0.530 4.897 4.340 0.046 0.000 0.246 509 Q C -0.349 175.939 176.000 0.480 0.000 0.935 509 Q CA -0.005 55.924 55.803 0.210 0.000 0.887 509 Q CB 0.691 29.492 28.738 0.105 0.000 1.223 509 Q HN 0.324 nan 8.270 nan 0.000 0.439 510 Y N -2.275 118.169 120.300 0.239 0.000 2.656 510 Y HA 0.645 5.221 4.550 0.045 0.000 0.334 510 Y C -1.281 174.662 175.900 0.072 0.000 1.179 510 Y CA -1.547 56.705 58.100 0.253 0.000 1.050 510 Y CB 0.516 39.126 38.460 0.251 0.000 1.308 510 Y HN 0.411 nan 8.280 nan 0.000 0.456 511 V N 0.056 119.942 119.914 -0.046 0.000 2.769 511 V HA 0.880 5.027 4.120 0.046 0.000 0.312 511 V C -0.162 175.867 176.094 -0.108 0.000 1.058 511 V CA -0.377 61.725 62.300 -0.329 0.000 0.952 511 V CB 1.318 32.649 31.823 -0.821 0.000 1.019 511 V HN 1.250 nan 8.190 nan 0.000 0.445 512 S N 3.966 119.589 115.700 -0.129 0.000 2.525 512 S HA 0.705 5.202 4.470 0.046 0.000 0.278 512 S C -0.500 174.069 174.600 -0.053 0.000 1.234 512 S CA -0.717 57.481 58.200 -0.004 0.000 1.058 512 S CB 0.790 63.981 63.200 -0.016 0.000 0.983 512 S HN 0.783 nan 8.310 nan 0.000 0.495 513 L N 4.124 125.370 121.223 0.038 0.000 2.262 513 L HA 0.520 4.888 4.340 0.046 0.000 0.288 513 L C -0.130 176.663 176.870 -0.127 0.000 1.035 513 L CA -0.392 54.495 54.840 0.079 0.000 0.820 513 L CB 0.058 42.282 42.059 0.276 0.000 1.204 513 L HN 0.961 nan 8.230 nan 0.000 0.424 514 N N 2.308 120.860 118.700 -0.247 0.000 3.449 514 N HA 0.317 5.084 4.740 0.046 0.000 0.312 514 N C 0.125 175.054 175.510 -0.969 0.000 1.582 514 N CA -0.932 51.689 53.050 -0.714 0.000 0.850 514 N CB 0.557 38.799 38.487 -0.408 0.000 1.822 514 N HN 0.193 nan 8.380 nan 0.000 0.577 515 L N -0.682 120.005 121.223 -0.894 0.000 2.156 515 L HA 0.139 4.507 4.340 0.046 0.000 0.208 515 L C 0.684 177.359 176.870 -0.326 0.000 1.095 515 L CA 0.813 55.240 54.840 -0.689 0.000 0.770 515 L CB -0.483 41.255 42.059 -0.536 0.000 0.914 515 L HN 0.364 nan 8.230 nan 0.000 0.439 516 K N 0.511 120.765 120.400 -0.243 0.000 2.230 516 K HA 0.175 4.522 4.320 0.046 0.000 0.253 516 K C -2.118 174.427 176.600 -0.092 0.000 1.008 516 K CA -1.738 54.469 56.287 -0.133 0.000 0.910 516 K CB -0.246 32.190 32.500 -0.107 0.000 0.994 516 K HN -0.179 nan 8.250 nan 0.000 0.495 517 P HA -0.048 nan 4.420 nan 0.000 0.269 517 P C -0.276 177.013 177.300 -0.018 0.000 1.217 517 P CA -0.058 63.040 63.100 -0.004 0.000 0.783 517 P CB 0.377 32.080 31.700 0.005 0.000 0.898 518 L N 1.333 122.559 121.223 0.005 0.000 2.578 518 L HA -0.034 4.334 4.340 0.046 0.000 0.279 518 L C 1.105 177.929 176.870 -0.078 0.000 1.227 518 L CA 0.840 55.642 54.840 -0.064 0.000 0.900 518 L CB -0.229 41.781 42.059 -0.081 0.000 1.144 518 L HN 0.502 nan 8.230 nan 0.000 0.496 519 E N 3.167 123.296 120.200 -0.118 0.000 2.210 519 E HA 0.413 4.790 4.350 0.046 0.000 0.266 519 E C -1.423 175.077 176.600 -0.168 0.000 0.883 519 E CA -0.796 55.537 56.400 -0.111 0.000 0.761 519 E CB 2.035 31.678 29.700 -0.096 0.000 1.156 519 E HN 0.300 nan 8.360 nan 0.000 0.412 520 V N 4.890 124.719 119.914 -0.140 0.000 2.432 520 V HA 0.432 4.579 4.120 0.046 0.000 0.275 520 V C 0.311 176.265 176.094 -0.233 0.000 1.043 520 V CA -0.339 61.857 62.300 -0.174 0.000 0.925 520 V CB 0.944 32.721 31.823 -0.075 0.000 0.985 520 V HN 0.685 nan 8.190 nan 0.000 0.466 521 R N 3.738 123.968 120.500 -0.449 0.000 2.919 521 R HA 0.763 5.130 4.340 0.046 0.000 0.260 521 R C -0.803 175.288 176.300 -0.349 0.000 1.067 521 R CA -1.051 54.763 56.100 -0.477 0.000 1.003 521 R CB 2.362 32.222 30.300 -0.733 0.000 1.192 521 R HN 0.578 nan 8.270 nan 0.000 0.488 522 R N -0.103 120.376 120.500 -0.035 0.000 2.513 522 R HA 0.451 4.819 4.340 0.046 0.000 0.301 522 R C -0.904 175.592 176.300 0.327 0.000 0.968 522 R CA -0.445 55.750 56.100 0.159 0.000 0.872 522 R CB 2.229 32.573 30.300 0.073 0.000 1.177 522 R HN 0.907 nan 8.270 nan 0.000 0.444 523 G N 2.638 111.686 108.800 0.413 0.000 3.292 523 G HA2 -0.204 3.784 3.960 0.046 0.000 0.636 523 G HA3 -0.204 3.784 3.960 0.046 0.000 0.636 523 G C -1.058 174.018 174.900 0.293 0.000 1.069 523 G CA -0.925 44.358 45.100 0.306 0.000 0.890 523 G HN 0.380 nan 8.290 nan 0.000 0.427 524 L N 4.138 125.424 121.223 0.104 0.000 2.401 524 L HA 0.470 4.837 4.340 0.046 0.000 0.283 524 L C 1.651 178.525 176.870 0.008 0.000 1.151 524 L CA -0.202 54.535 54.840 -0.172 0.000 0.942 524 L CB -0.424 41.443 42.059 -0.321 0.000 1.283 524 L HN 0.672 nan 8.230 nan 0.000 0.442 525 R N 2.935 123.481 120.500 0.076 0.000 3.225 525 R HA -0.281 4.087 4.340 0.046 0.000 0.245 525 R C 1.305 177.698 176.300 0.153 0.000 0.928 525 R CA 0.673 56.854 56.100 0.136 0.000 0.632 525 R CB -2.035 28.358 30.300 0.154 0.000 1.038 525 R HN 0.759 nan 8.270 nan 0.000 0.461 526 A N 0.540 123.448 122.820 0.147 0.000 1.908 526 A HA -0.229 4.119 4.320 0.046 0.000 0.218 526 A C 2.088 179.760 177.584 0.147 0.000 1.181 526 A CA 1.177 53.300 52.037 0.144 0.000 0.627 526 A CB -0.056 19.024 19.000 0.134 0.000 0.818 526 A HN 0.399 nan 8.150 nan 0.000 0.445 527 Q N -0.818 119.070 119.800 0.146 0.000 2.096 527 Q HA -0.073 4.295 4.340 0.046 0.000 0.197 527 Q C 2.224 178.343 176.000 0.197 0.000 0.964 527 Q CA 1.959 57.850 55.803 0.147 0.000 0.838 527 Q CB -0.954 27.855 28.738 0.118 0.000 0.906 527 Q HN 0.656 nan 8.270 nan 0.000 0.444 528 T N 0.504 115.200 114.554 0.236 0.000 2.821 528 T HA -0.101 4.277 4.350 0.046 0.000 0.267 528 T C 2.051 176.981 174.700 0.384 0.000 1.046 528 T CA 1.095 63.375 62.100 0.300 0.000 1.139 528 T CB -0.255 68.837 68.868 0.373 0.000 0.871 528 T HN 0.295 nan 8.240 nan 0.000 0.454 529 c N 1.674 120.473 118.600 0.331 0.000 2.446 529 c HA 0.233 4.831 4.570 0.046 0.000 0.279 529 c C 3.157 177.404 174.090 0.262 0.000 1.366 529 c CA -0.015 56.511 56.329 0.328 0.000 1.763 529 c CB -1.426 41.210 42.510 0.209 0.000 1.929 529 c HN 0.641 nan 8.230 nan 0.000 0.509 530 A N 0.518 123.463 122.820 0.209 0.000 1.908 530 A HA -0.231 4.117 4.320 0.046 0.000 0.218 530 A C 1.890 179.584 177.584 0.183 0.000 1.181 530 A CA 1.844 53.984 52.037 0.170 0.000 0.627 530 A CB -0.866 18.219 19.000 0.142 0.000 0.818 530 A HN 0.544 nan 8.150 nan 0.000 0.445 531 F N -0.818 119.129 119.950 -0.005 0.000 2.069 531 F HA -0.207 4.349 4.527 0.049 0.000 0.298 531 F C 1.970 177.730 175.800 -0.066 0.000 1.113 531 F CA 1.860 59.782 58.000 -0.130 0.000 1.214 531 F CB -0.609 38.066 39.000 -0.541 0.000 0.978 531 F HN 0.392 nan 8.300 nan 0.000 0.474 532 W N 0.393 121.626 121.300 -0.111 0.000 2.409 532 W HA -0.106 4.580 4.660 0.044 0.000 0.299 532 W C 2.191 178.640 176.519 -0.117 0.000 1.203 532 W CA 0.944 58.181 57.345 -0.180 0.000 1.298 532 W CB -0.512 28.979 29.460 0.052 0.000 1.127 532 W HN -0.043 nan 8.180 nan 0.000 0.528 533 N N -0.498 118.317 118.700 0.192 0.000 2.395 533 N HA 0.033 4.800 4.740 0.046 0.000 0.175 533 N C 1.495 177.039 175.510 0.058 0.000 1.029 533 N CA 0.906 54.023 53.050 0.111 0.000 0.897 533 N CB -0.179 38.372 38.487 0.108 0.000 0.991 533 N HN 0.208 nan 8.380 nan 0.000 0.441 534 R N -1.410 119.128 120.500 0.062 0.000 2.167 534 R HA 0.238 4.606 4.340 0.046 0.000 0.195 534 R C 1.372 177.708 176.300 0.061 0.000 1.027 534 R CA 0.049 56.188 56.100 0.066 0.000 1.114 534 R CB -0.136 30.224 30.300 0.101 0.000 1.075 534 R HN 0.042 nan 8.270 nan 0.000 0.538 535 F N 1.470 121.352 119.950 -0.114 0.000 2.147 535 F HA 0.079 4.634 4.527 0.047 0.000 0.291 535 F C 1.923 177.581 175.800 -0.235 0.000 1.093 535 F CA 0.920 58.833 58.000 -0.144 0.000 1.263 535 F CB -0.237 38.707 39.000 -0.093 0.000 1.036 535 F HN -0.143 nan 8.300 nan 0.000 0.481 536 L N 0.739 121.654 121.223 -0.514 0.000 2.021 536 L HA -0.223 4.145 4.340 0.046 0.000 0.215 536 L C -0.333 176.315 176.870 -0.370 0.000 1.074 536 L CA 2.344 56.846 54.840 -0.562 0.000 0.760 536 L CB -2.182 39.554 42.059 -0.538 0.000 0.889 536 L HN 0.128 nan 8.230 nan 0.000 0.433 537 P HA -0.218 nan 4.420 nan 0.000 0.215 537 P C 1.472 178.648 177.300 -0.207 0.000 1.163 537 P CA 1.577 64.581 63.100 -0.159 0.000 0.894 537 P CB -0.064 31.579 31.700 -0.095 0.000 0.791 538 K N -1.094 119.147 120.400 -0.264 0.000 2.074 538 K HA -0.189 4.158 4.320 0.046 0.000 0.209 538 K C 1.993 178.398 176.600 -0.326 0.000 1.048 538 K CA 1.243 57.369 56.287 -0.269 0.000 0.926 538 K CB -0.986 31.347 32.500 -0.278 0.000 0.713 538 K HN 0.068 nan 8.250 nan 0.000 0.444 539 L N 1.356 122.272 121.223 -0.511 0.000 2.083 539 L HA -0.139 4.229 4.340 0.046 0.000 0.209 539 L C 1.870 178.608 176.870 -0.219 0.000 1.083 539 L CA 1.534 56.124 54.840 -0.417 0.000 0.752 539 L CB -0.304 41.447 42.059 -0.513 0.000 0.899 539 L HN 0.121 nan 8.230 nan 0.000 0.433 540 L N -1.320 119.787 121.223 -0.194 0.000 2.049 540 L HA -0.089 4.279 4.340 0.046 0.000 0.203 540 L C 2.656 179.470 176.870 -0.094 0.000 1.074 540 L CA 1.181 55.951 54.840 -0.117 0.000 0.749 540 L CB -1.021 40.981 42.059 -0.095 0.000 0.907 540 L HN 0.391 nan 8.230 nan 0.000 0.439 541 S N 0.207 115.847 115.700 -0.100 0.000 2.400 541 S HA -0.158 4.340 4.470 0.046 0.000 0.232 541 S C 1.713 176.276 174.600 -0.063 0.000 1.025 541 S CA 1.079 59.235 58.200 -0.073 0.000 0.993 541 S CB -0.239 62.919 63.200 -0.070 0.000 0.808 541 S HN 0.381 nan 8.310 nan 0.000 0.478 542 A N 0.897 123.672 122.820 -0.075 0.000 2.453 542 A HA 0.540 4.887 4.320 0.046 0.000 0.225 542 A C 0.945 178.499 177.584 -0.050 0.000 2.127 542 A CA 0.868 52.872 52.037 -0.056 0.000 0.864 542 A CB -0.560 18.408 19.000 -0.053 0.000 1.440 542 A HN 1.119 nan 8.150 nan 0.000 0.566 543 T N -1.303 113.217 114.554 -0.056 0.000 3.912 543 T HA 0.414 4.792 4.350 0.046 0.000 0.379 543 T C -0.357 174.330 174.700 -0.021 0.000 0.760 543 T CA 0.776 62.851 62.100 -0.042 0.000 2.056 543 T CB -2.355 66.489 68.868 -0.039 0.000 1.789 543 T HN 2.368 nan 8.240 nan 0.000 0.857 544 A N 0.000 122.813 122.820 -0.012 0.000 2.254 544 A HA 0.000 4.348 4.320 0.046 0.000 0.244 544 A CA 0.000 nan 52.037 nan 0.000 0.836 544 A CB 0.000 19.028 19.000 0.046 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486