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 2ha4_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 PMSVTLFGEA DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXX GNDTELIAcL 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 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 0.000 176.626 176.600 0.043 0.000 1.382 4 E CA 0.000 56.420 56.400 0.033 0.000 0.976 4 E CB 0.000 29.719 29.700 0.032 0.000 0.812 5 D N 5.885 126.319 120.400 0.057 0.000 2.336 5 D HA 0.198 4.861 4.640 0.040 0.000 0.249 5 D C -1.446 174.898 176.300 0.073 0.000 1.213 5 D CA -2.137 51.910 54.000 0.078 0.000 0.870 5 D CB 1.462 42.334 40.800 0.121 0.000 1.076 5 D HN 0.238 nan 8.370 nan 0.000 0.483 6 P HA -0.145 nan 4.420 nan 0.000 0.222 6 P C 1.054 178.372 177.300 0.030 0.000 1.147 6 P CA 0.726 63.846 63.100 0.032 0.000 0.790 6 P CB 0.533 32.239 31.700 0.011 0.000 0.780 7 Q N -0.320 119.489 119.800 0.014 0.000 2.224 7 Q HA 0.011 4.375 4.340 0.040 0.000 0.203 7 Q C 1.869 177.953 176.000 0.139 0.000 0.970 7 Q CA 0.934 56.726 55.803 -0.018 0.000 0.865 7 Q CB -0.358 28.223 28.738 -0.261 0.000 0.922 7 Q HN 0.423 nan 8.270 nan 0.000 0.445 8 L N 0.409 121.731 121.223 0.165 0.000 2.685 8 L HA 0.199 4.563 4.340 0.040 0.000 0.233 8 L C -0.118 176.933 176.870 0.302 0.000 1.173 8 L CA -0.295 54.673 54.840 0.214 0.000 0.961 8 L CB 0.294 42.407 42.059 0.088 0.000 1.217 8 L HN -0.011 nan 8.230 nan 0.000 0.478 9 L N 0.713 122.072 121.223 0.227 0.000 2.372 9 L HA 0.612 4.976 4.340 0.040 0.000 0.274 9 L C -0.700 176.199 176.870 0.048 0.000 0.988 9 L CA -0.407 54.525 54.840 0.153 0.000 0.833 9 L CB 1.845 43.956 42.059 0.086 0.000 1.236 9 L HN -0.272 nan 8.230 nan 0.000 0.410 10 V N 4.529 124.430 119.914 -0.022 0.000 2.789 10 V HA 0.570 4.714 4.120 0.040 0.000 0.311 10 V C -0.382 175.622 176.094 -0.150 0.000 1.073 10 V CA -0.854 61.300 62.300 -0.243 0.000 0.921 10 V CB 2.115 33.500 31.823 -0.729 0.000 1.009 10 V HN 0.694 nan 8.190 nan 0.000 0.426 11 R N 2.930 123.326 120.500 -0.174 0.000 2.229 11 R HA 0.693 5.057 4.340 0.040 0.000 0.332 11 R C -0.526 175.675 176.300 -0.164 0.000 0.989 11 R CA -0.303 55.727 56.100 -0.117 0.000 0.842 11 R CB 1.297 31.536 30.300 -0.101 0.000 1.119 11 R HN 0.748 nan 8.270 nan 0.000 0.456 12 V N 1.748 121.612 119.914 -0.084 0.000 3.302 12 V HA 0.427 4.571 4.120 0.040 0.000 0.316 12 V C 1.323 177.331 176.094 -0.143 0.000 1.111 12 V CA -0.806 61.440 62.300 -0.090 0.000 1.029 12 V CB 1.500 33.396 31.823 0.122 0.000 1.170 12 V HN 0.808 nan 8.190 nan 0.000 0.452 13 R N 0.702 121.103 120.500 -0.165 0.000 2.152 13 R HA -0.027 4.337 4.340 0.040 0.000 0.232 13 R C 1.868 178.020 176.300 -0.246 0.000 1.117 13 R CA 1.543 57.538 56.100 -0.175 0.000 0.981 13 R CB -0.555 29.659 30.300 -0.143 0.000 0.870 13 R HN 0.978 nan 8.270 nan 0.000 0.451 14 G N -0.581 108.004 108.800 -0.359 0.000 3.189 14 G HA2 0.363 4.346 3.960 0.040 0.000 0.225 14 G HA3 0.363 4.346 3.960 0.040 0.000 0.225 14 G C 0.281 174.275 174.900 -1.511 0.000 1.159 14 G CA 0.437 45.096 45.100 -0.736 0.000 0.763 14 G HN 0.546 nan 8.290 nan 0.000 0.549 15 G N -0.750 107.464 108.800 -0.977 0.000 2.315 15 G HA2 0.039 4.023 3.960 0.040 0.000 0.296 15 G HA3 0.039 4.023 3.960 0.040 0.000 0.296 15 G C -1.023 173.820 174.900 -0.095 0.000 1.289 15 G CA -0.991 43.656 45.100 -0.756 0.000 0.996 15 G HN 0.312 nan 8.290 nan 0.000 0.487 16 Q N -0.590 119.341 119.800 0.219 0.000 2.230 16 Q HA 0.738 5.102 4.340 0.040 0.000 0.248 16 Q C -0.454 175.827 176.000 0.468 0.000 0.915 16 Q CA -0.364 55.614 55.803 0.291 0.000 0.900 16 Q CB 1.890 30.730 28.738 0.171 0.000 1.229 16 Q HN 0.476 nan 8.270 nan 0.000 0.439 17 L N 1.033 122.439 121.223 0.305 0.000 2.388 17 L HA 0.611 4.975 4.340 0.040 0.000 0.264 17 L C -0.548 176.477 176.870 0.259 0.000 0.998 17 L CA -0.785 54.229 54.840 0.290 0.000 0.817 17 L CB 2.288 44.546 42.059 0.331 0.000 1.338 17 L HN 0.433 nan 8.230 nan 0.000 0.414 18 R N 0.575 121.215 120.500 0.234 0.000 2.393 18 R HA 0.634 4.998 4.340 0.040 0.000 0.315 18 R C -0.225 176.193 176.300 0.196 0.000 0.952 18 R CA -0.322 55.905 56.100 0.212 0.000 0.842 18 R CB 1.694 32.058 30.300 0.106 0.000 1.163 18 R HN 0.840 nan 8.270 nan 0.000 0.450 19 G N 3.261 112.161 108.800 0.167 0.000 2.531 19 G HA2 0.452 4.436 3.960 0.040 0.000 0.281 19 G HA3 0.452 4.436 3.960 0.040 0.000 0.281 19 G C -0.896 173.837 174.900 -0.279 0.000 1.382 19 G CA -0.638 44.265 45.100 -0.328 0.000 1.045 19 G HN 0.588 nan 8.290 nan 0.000 0.533 20 I N -0.782 119.554 120.570 -0.390 0.000 2.619 20 I HA 0.442 4.636 4.170 0.040 0.000 0.292 20 I C -0.127 175.858 176.117 -0.220 0.000 1.100 20 I CA -1.052 60.106 61.300 -0.237 0.000 1.043 20 I CB 1.999 39.872 38.000 -0.212 0.000 1.239 20 I HN 0.427 nan 8.210 nan 0.000 0.420 21 R N 8.154 128.564 120.500 -0.149 0.000 2.288 21 R HA 0.409 4.773 4.340 0.040 0.000 0.330 21 R C -1.673 174.530 176.300 -0.162 0.000 1.069 21 R CA -0.129 55.870 56.100 -0.169 0.000 0.941 21 R CB 0.255 30.416 30.300 -0.232 0.000 0.998 21 R HN 0.659 nan 8.270 nan 0.000 0.452 22 L N 3.693 124.835 121.223 -0.134 0.000 2.334 22 L HA 0.450 4.814 4.340 0.040 0.000 0.270 22 L C 0.044 176.845 176.870 -0.115 0.000 1.018 22 L CA -0.880 53.899 54.840 -0.102 0.000 0.811 22 L CB 1.766 43.798 42.059 -0.044 0.000 1.271 22 L HN 0.496 nan 8.230 nan 0.000 0.443 23 K N 1.502 121.839 120.400 -0.106 0.000 2.213 23 K HA 0.663 5.007 4.320 0.040 0.000 0.270 23 K C -0.869 175.659 176.600 -0.119 0.000 1.002 23 K CA -0.336 55.889 56.287 -0.103 0.000 0.868 23 K CB 1.494 33.946 32.500 -0.080 0.000 1.093 23 K HN 0.692 nan 8.250 nan 0.000 0.454 24 A N 5.024 127.772 122.820 -0.120 0.000 2.320 24 A HA 0.500 4.844 4.320 0.040 0.000 0.334 24 A C -1.897 175.670 177.584 -0.029 0.000 1.147 24 A CA -1.732 50.218 52.037 -0.145 0.000 0.820 24 A CB 0.632 19.519 19.000 -0.188 0.000 1.218 24 A HN 0.673 nan 8.150 nan 0.000 0.482 25 P HA -0.177 nan 4.420 nan 0.000 0.217 25 P C 1.328 178.653 177.300 0.040 0.000 1.151 25 P CA 2.263 65.405 63.100 0.071 0.000 0.849 25 P CB 0.045 31.821 31.700 0.127 0.000 0.787 26 G N -1.674 107.151 108.800 0.041 0.000 2.777 26 G HA2 0.396 4.380 3.960 0.040 0.000 0.211 26 G HA3 0.396 4.380 3.960 0.040 0.000 0.211 26 G C 0.622 175.532 174.900 0.016 0.000 1.149 26 G CA 0.602 45.720 45.100 0.030 0.000 0.785 26 G HN 0.693 nan 8.290 nan 0.000 0.536 27 G N -0.681 108.118 108.800 -0.001 0.000 2.356 27 G HA2 0.349 4.333 3.960 0.040 0.000 0.300 27 G HA3 0.349 4.333 3.960 0.040 0.000 0.300 27 G C -3.307 171.568 174.900 -0.042 0.000 1.331 27 G CA -0.696 44.395 45.100 -0.014 0.000 0.905 27 G HN 0.037 nan 8.290 nan 0.000 0.587 28 P HA 0.462 nan 4.420 nan 0.000 0.272 28 P C 0.023 177.314 177.300 -0.015 0.000 1.223 28 P CA 0.028 63.037 63.100 -0.152 0.000 0.784 28 P CB 1.454 32.894 31.700 -0.433 0.000 0.923 29 V N -1.526 118.386 119.914 -0.004 0.000 3.007 29 V HA 0.607 4.751 4.120 0.040 0.000 0.311 29 V C -0.431 175.745 176.094 0.135 0.000 1.120 29 V CA -0.900 61.479 62.300 0.131 0.000 0.980 29 V CB 1.888 33.789 31.823 0.131 0.000 1.033 29 V HN 0.426 nan 8.190 nan 0.000 0.429 30 S N 2.121 117.950 115.700 0.216 0.000 2.475 30 S HA 0.848 5.342 4.470 0.040 0.000 0.281 30 S C 0.094 174.630 174.600 -0.105 0.000 1.198 30 S CA 0.046 58.282 58.200 0.060 0.000 1.063 30 S CB 1.176 64.487 63.200 0.184 0.000 0.972 30 S HN 1.574 nan 8.310 nan 0.000 0.486 31 A N 2.763 125.327 122.820 -0.427 0.000 2.365 31 A HA 0.844 5.187 4.320 0.040 0.000 0.318 31 A C -1.196 175.892 177.584 -0.828 0.000 1.091 31 A CA -0.671 51.023 52.037 -0.573 0.000 0.763 31 A CB 0.560 19.233 19.000 -0.544 0.000 1.248 31 A HN 0.699 nan 8.150 nan 0.000 0.442 32 F N 2.404 122.179 119.950 -0.292 0.000 2.646 32 F HA 0.459 5.010 4.527 0.040 0.000 0.364 32 F C -0.372 175.245 175.800 -0.304 0.000 1.137 32 F CA -0.263 57.643 58.000 -0.156 0.000 1.085 32 F CB 1.343 40.402 39.000 0.098 0.000 1.331 32 F HN 0.340 nan 8.300 nan 0.000 0.472 33 L N 2.027 123.107 121.223 -0.239 0.000 2.325 33 L HA 0.784 5.148 4.340 0.040 0.000 0.278 33 L C 0.873 177.650 176.870 -0.155 0.000 1.023 33 L CA -1.051 53.590 54.840 -0.331 0.000 0.811 33 L CB 1.756 43.421 42.059 -0.656 0.000 1.249 33 L HN 0.809 nan 8.230 nan 0.000 0.431 34 G N 2.865 111.631 108.800 -0.056 0.000 2.212 34 G HA2 -0.237 3.747 3.960 0.040 0.000 0.255 34 G HA3 -0.237 3.747 3.960 0.040 0.000 0.255 34 G C -0.222 174.705 174.900 0.046 0.000 1.062 34 G CA -0.399 44.671 45.100 -0.050 0.000 0.815 34 G HN 0.473 nan 8.290 nan 0.000 0.497 35 I N 2.014 122.638 120.570 0.090 0.000 2.352 35 I HA 0.262 4.456 4.170 0.040 0.000 0.290 35 I C -1.528 174.671 176.117 0.136 0.000 1.036 35 I CA -2.286 59.055 61.300 0.068 0.000 1.336 35 I CB 1.159 39.144 38.000 -0.026 0.000 1.407 35 I HN -0.043 nan 8.210 nan 0.000 0.497 36 P HA 0.031 nan 4.420 nan 0.000 0.276 36 P C -0.183 177.081 177.300 -0.060 0.000 1.243 36 P CA 0.033 63.047 63.100 -0.143 0.000 0.768 36 P CB 0.423 32.044 31.700 -0.131 0.000 0.856 37 F N 1.308 121.111 119.950 -0.245 0.000 2.682 37 F HA 0.713 5.264 4.527 0.040 0.000 0.308 37 F C 0.087 175.879 175.800 -0.014 0.000 1.093 37 F CA -0.687 57.232 58.000 -0.135 0.000 1.244 37 F CB 0.262 39.085 39.000 -0.295 0.000 1.052 37 F HN 0.315 nan 8.300 nan 0.000 0.573 38 A N 0.157 122.651 122.820 -0.544 0.000 2.587 38 A HA 0.563 4.907 4.320 0.040 0.000 0.293 38 A C -0.834 176.575 177.584 -0.292 0.000 1.087 38 A CA -0.814 51.013 52.037 -0.351 0.000 0.692 38 A CB 0.941 19.663 19.000 -0.464 0.000 1.291 38 A HN 0.076 nan 8.150 nan 0.000 0.407 39 E N 1.305 121.416 120.200 -0.148 0.000 2.415 39 E HA 0.191 4.565 4.350 0.040 0.000 0.263 39 E C -2.284 174.214 176.600 -0.170 0.000 0.995 39 E CA -1.172 55.158 56.400 -0.117 0.000 0.915 39 E CB -0.114 29.555 29.700 -0.051 0.000 0.951 39 E HN 0.233 nan 8.360 nan 0.000 0.449 40 P HA -0.022 nan 4.420 nan 0.000 0.260 40 P C -2.178 175.051 177.300 -0.119 0.000 1.172 40 P CA -0.647 62.361 63.100 -0.152 0.000 0.760 40 P CB -0.047 31.600 31.700 -0.089 0.000 0.773 41 P HA 0.004 nan 4.420 nan 0.000 0.228 41 P C -0.258 176.975 177.300 -0.112 0.000 1.748 41 P CA 0.140 63.176 63.100 -0.107 0.000 0.909 41 P CB -0.179 31.460 31.700 -0.102 0.000 1.882 42 V N -3.355 116.500 119.914 -0.099 0.000 2.975 42 V HA 0.881 5.025 4.120 0.040 0.000 0.318 42 V C 1.135 177.179 176.094 -0.084 0.000 1.077 42 V CA 0.108 62.348 62.300 -0.101 0.000 1.000 42 V CB 0.738 32.509 31.823 -0.085 0.000 1.066 42 V HN 0.496 nan 8.190 nan 0.000 0.452 43 G N 2.470 111.219 108.800 -0.084 0.000 2.646 43 G HA2 -0.385 3.598 3.960 0.040 0.000 0.324 43 G HA3 -0.385 3.598 3.960 0.040 0.000 0.324 43 G C 1.339 176.201 174.900 -0.062 0.000 1.195 43 G CA 1.983 47.045 45.100 -0.062 0.000 0.976 43 G HN 2.325 nan 8.290 nan 0.000 0.546 44 S N 0.550 116.227 115.700 -0.037 0.000 2.489 44 S HA 0.090 4.584 4.470 0.040 0.000 0.228 44 S C 1.999 176.585 174.600 -0.024 0.000 0.995 44 S CA 1.420 59.608 58.200 -0.019 0.000 0.934 44 S CB -0.047 63.151 63.200 -0.003 0.000 0.771 44 S HN 0.690 nan 8.310 nan 0.000 0.522 45 R N 0.824 121.297 120.500 -0.046 0.000 2.299 45 R HA 0.225 4.589 4.340 0.040 0.000 0.197 45 R C 0.954 177.203 176.300 -0.086 0.000 0.971 45 R CA -0.154 55.919 56.100 -0.046 0.000 1.030 45 R CB -0.081 30.190 30.300 -0.048 0.000 0.932 45 R HN 0.391 nan 8.270 nan 0.000 0.477 46 R N 0.898 121.296 120.500 -0.169 0.000 2.538 46 R HA -0.142 4.222 4.340 0.040 0.000 0.282 46 R C -0.359 175.726 176.300 -0.358 0.000 1.009 46 R CA 0.587 56.452 56.100 -0.392 0.000 1.063 46 R CB 0.118 30.041 30.300 -0.629 0.000 0.945 46 R HN 0.116 nan 8.270 nan 0.000 0.414 47 F N -0.749 119.208 119.950 0.013 0.000 2.748 47 F HA -0.325 4.226 4.527 0.040 0.000 0.370 47 F C 0.167 175.953 175.800 -0.023 0.000 0.620 47 F CA 0.703 58.688 58.000 -0.025 0.000 1.233 47 F CB -1.806 37.168 39.000 -0.043 0.000 1.708 47 F HN 0.494 nan 8.300 nan 0.000 0.298 48 M N 2.165 121.827 119.600 0.105 0.000 2.342 48 M HA 0.376 4.880 4.480 0.040 0.000 0.332 48 M C -1.894 174.432 176.300 0.044 0.000 1.166 48 M CA -1.582 53.760 55.300 0.071 0.000 1.086 48 M CB 0.729 33.358 32.600 0.047 0.000 1.541 48 M HN -0.341 nan 8.290 nan 0.000 0.462 49 P HA 0.049 nan 4.420 nan 0.000 0.265 49 P C -2.571 174.754 177.300 0.041 0.000 1.187 49 P CA -0.616 62.514 63.100 0.051 0.000 0.766 49 P CB -0.810 30.930 31.700 0.065 0.000 0.820 50 P HA 0.187 nan 4.420 nan 0.000 0.274 50 P C -0.320 177.005 177.300 0.043 0.000 1.231 50 P CA 0.136 63.253 63.100 0.028 0.000 0.790 50 P CB 0.887 32.617 31.700 0.050 0.000 0.951 51 E N 2.392 122.602 120.200 0.017 0.000 2.191 51 E HA 0.366 4.740 4.350 0.040 0.000 0.274 51 E C -2.176 174.450 176.600 0.042 0.000 0.948 51 E CA -2.322 54.099 56.400 0.034 0.000 0.802 51 E CB 0.816 30.528 29.700 0.021 0.000 1.137 51 E HN 0.353 nan 8.360 nan 0.000 0.397 52 P HA -0.013 nan 4.420 nan 0.000 0.267 52 P C -0.213 177.145 177.300 0.097 0.000 1.200 52 P CA -0.204 62.967 63.100 0.119 0.000 0.772 52 P CB 0.524 32.303 31.700 0.132 0.000 0.855 53 K N 3.817 124.297 120.400 0.133 0.000 2.379 53 K HA 0.069 4.413 4.320 0.040 0.000 0.284 53 K C 0.170 176.875 176.600 0.174 0.000 1.044 53 K CA 0.072 56.441 56.287 0.137 0.000 0.974 53 K CB 0.078 32.693 32.500 0.193 0.000 0.962 53 K HN 0.254 nan 8.250 nan 0.000 0.474 54 R N 5.461 126.045 120.500 0.140 0.000 2.623 54 R HA 0.083 4.447 4.340 0.040 0.000 0.271 54 R C -1.877 174.531 176.300 0.180 0.000 1.043 54 R CA -1.395 54.780 56.100 0.125 0.000 1.083 54 R CB -0.223 30.135 30.300 0.098 0.000 0.974 54 R HN 0.615 nan 8.270 nan 0.000 0.436 55 P HA -0.145 nan 4.420 nan 0.000 0.269 55 P C -1.075 176.270 177.300 0.075 0.000 1.200 55 P CA 0.447 63.489 63.100 -0.096 0.000 0.779 55 P CB 0.252 31.872 31.700 -0.132 0.000 0.841 56 W N -0.048 121.285 121.300 0.055 0.000 3.031 56 W HA 0.637 5.321 4.660 0.040 0.000 0.337 56 W C -0.844 175.700 176.519 0.042 0.000 1.187 56 W CA -1.027 56.349 57.345 0.050 0.000 1.166 56 W CB 0.103 29.601 29.460 0.063 0.000 1.437 56 W HN 0.412 nan 8.180 nan 0.000 0.551 57 S N 1.596 117.481 115.700 0.309 0.000 2.672 57 S HA 0.807 5.301 4.470 0.040 0.000 0.276 57 S C 0.676 175.441 174.600 0.275 0.000 1.207 57 S CA 0.158 58.473 58.200 0.192 0.000 1.002 57 S CB 0.862 64.135 63.200 0.122 0.000 0.998 57 S HN 2.283 nan 8.310 nan 0.000 0.542 58 G N 0.244 109.148 108.800 0.174 0.000 2.564 58 G HA2 -0.194 3.790 3.960 0.040 0.000 0.273 58 G HA3 -0.194 3.790 3.960 0.040 0.000 0.273 58 G C -0.527 174.515 174.900 0.236 0.000 1.242 58 G CA -0.095 45.102 45.100 0.163 0.000 0.951 58 G HN 1.712 nan 8.290 nan 0.000 0.564 59 V N 0.718 120.741 119.914 0.183 0.000 2.357 59 V HA 0.540 4.684 4.120 0.040 0.000 0.284 59 V C 0.490 176.660 176.094 0.127 0.000 1.018 59 V CA -0.457 61.956 62.300 0.188 0.000 0.841 59 V CB 1.237 33.133 31.823 0.121 0.000 0.991 59 V HN 0.803 nan 8.190 nan 0.000 0.437 60 L N 4.245 125.534 121.223 0.109 0.000 2.360 60 L HA 0.347 4.710 4.340 0.040 0.000 0.276 60 L C 0.295 177.134 176.870 -0.051 0.000 1.121 60 L CA 0.278 55.034 54.840 -0.140 0.000 0.845 60 L CB 0.806 42.504 42.059 -0.602 0.000 1.143 60 L HN 0.776 nan 8.230 nan 0.000 0.452 61 D N 4.380 124.736 120.400 -0.073 0.000 2.344 61 D HA 0.373 5.037 4.640 0.040 0.000 0.253 61 D C -0.164 176.098 176.300 -0.064 0.000 1.255 61 D CA 0.236 54.209 54.000 -0.046 0.000 0.894 61 D CB 0.849 41.615 40.800 -0.057 0.000 1.067 61 D HN 0.636 nan 8.370 nan 0.000 0.492 62 A N 3.364 126.176 122.820 -0.014 0.000 3.154 62 A HA 0.282 4.626 4.320 0.040 0.000 0.310 62 A C 0.959 178.490 177.584 -0.089 0.000 1.093 62 A CA -0.349 51.678 52.037 -0.018 0.000 1.006 62 A CB -0.201 18.875 19.000 0.127 0.000 1.084 62 A HN 0.569 nan 8.150 nan 0.000 0.549 63 T N -3.972 110.501 114.554 -0.135 0.000 3.044 63 T HA 0.290 4.664 4.350 0.040 0.000 0.260 63 T C 0.459 175.017 174.700 -0.237 0.000 1.019 63 T CA 0.330 62.319 62.100 -0.186 0.000 0.921 63 T CB 0.234 69.022 68.868 -0.133 0.000 1.053 63 T HN 0.177 nan 8.240 nan 0.000 0.533 64 T N 1.706 116.117 114.554 -0.238 0.000 2.933 64 T HA 0.585 4.959 4.350 0.040 0.000 0.305 64 T C -1.175 173.391 174.700 -0.223 0.000 1.092 64 T CA -0.616 61.350 62.100 -0.223 0.000 1.008 64 T CB 1.230 70.019 68.868 -0.132 0.000 1.102 64 T HN 0.094 nan 8.240 nan 0.000 0.469 65 F N 2.484 122.371 119.950 -0.104 0.000 2.553 65 F HA 0.246 4.797 4.527 0.040 0.000 0.356 65 F C 1.344 177.056 175.800 -0.147 0.000 1.142 65 F CA 0.001 57.941 58.000 -0.099 0.000 1.322 65 F CB 0.532 39.501 39.000 -0.052 0.000 1.126 65 F HN 0.306 nan 8.300 nan 0.000 0.599 66 Q N 1.332 121.165 119.800 0.055 0.000 2.171 66 Q HA 0.220 4.584 4.340 0.040 0.000 0.217 66 Q C -0.194 175.757 176.000 -0.082 0.000 0.995 66 Q CA -0.795 54.898 55.803 -0.182 0.000 0.979 66 Q CB 0.658 29.048 28.738 -0.581 0.000 1.152 66 Q HN 0.513 nan 8.270 nan 0.000 0.525 67 N N -0.292 118.338 118.700 -0.118 0.000 2.374 67 N HA -0.001 4.763 4.740 0.040 0.000 0.241 67 N C -0.593 174.914 175.510 -0.005 0.000 1.262 67 N CA 0.155 53.178 53.050 -0.045 0.000 0.880 67 N CB 0.359 38.830 38.487 -0.026 0.000 1.105 67 N HN 0.174 nan 8.380 nan 0.000 0.438 68 V N 1.730 121.620 119.914 -0.041 0.000 2.546 68 V HA 0.087 4.231 4.120 0.040 0.000 0.284 68 V C 0.587 176.654 176.094 -0.045 0.000 1.050 68 V CA -0.838 61.424 62.300 -0.062 0.000 0.981 68 V CB 0.985 32.735 31.823 -0.121 0.000 0.990 68 V HN 0.712 nan 8.190 nan 0.000 0.474 69 c N 4.607 123.192 118.600 -0.024 0.000 2.597 69 c HA 0.037 4.631 4.570 0.040 0.000 0.412 69 c C 0.523 174.587 174.090 -0.043 0.000 1.348 69 c CA -0.457 55.862 56.329 -0.016 0.000 1.769 69 c CB -1.088 41.436 42.510 0.024 0.000 2.641 69 c HN 0.752 nan 8.230 nan 0.000 0.612 70 Y N 4.325 124.497 120.300 -0.213 0.000 2.632 70 Y HA 0.257 4.831 4.550 0.040 0.000 0.329 70 Y C 0.749 176.664 175.900 0.025 0.000 1.174 70 Y CA 1.001 58.970 58.100 -0.218 0.000 1.469 70 Y CB 0.094 38.221 38.460 -0.555 0.000 1.242 70 Y HN 0.750 nan 8.280 nan 0.000 0.540 71 Q N 4.390 124.112 119.800 -0.130 0.000 2.522 71 Q HA 0.215 4.579 4.340 0.040 0.000 0.285 71 Q C -1.702 174.388 176.000 0.150 0.000 0.982 71 Q CA -1.226 54.684 55.803 0.179 0.000 0.805 71 Q CB 1.229 30.063 28.738 0.160 0.000 1.457 71 Q HN 0.670 nan 8.270 nan 0.000 0.394 72 Y N 1.177 121.645 120.300 0.279 0.000 2.811 72 Y HA 0.233 4.807 4.550 0.040 0.000 0.334 72 Y C -0.924 175.101 175.900 0.208 0.000 1.247 72 Y CA 0.504 58.785 58.100 0.301 0.000 1.526 72 Y CB 0.723 39.502 38.460 0.530 0.000 1.284 72 Y HN 0.429 nan 8.280 nan 0.000 0.586 73 V N 6.775 126.374 119.914 -0.524 0.000 2.417 73 V HA 0.119 4.263 4.120 0.040 0.000 0.291 73 V C -0.446 175.262 176.094 -0.644 0.000 1.024 73 V CA -1.073 60.994 62.300 -0.389 0.000 0.861 73 V CB 1.549 33.227 31.823 -0.243 0.000 0.985 73 V HN 0.770 nan 8.190 nan 0.000 0.436 74 D N 2.913 123.185 120.400 -0.214 0.000 2.424 74 D HA 0.295 4.958 4.640 0.040 0.000 0.244 74 D C 0.917 177.212 176.300 -0.008 0.000 1.134 74 D CA 0.691 54.693 54.000 0.003 0.000 0.881 74 D CB 1.142 42.113 40.800 0.285 0.000 1.191 74 D HN 0.807 nan 8.370 nan 0.000 0.445 75 T N 0.728 115.304 114.554 0.036 0.000 3.209 75 T HA 0.040 4.414 4.350 0.040 0.000 0.295 75 T C 1.319 176.012 174.700 -0.012 0.000 0.977 75 T CA -0.468 61.639 62.100 0.012 0.000 0.922 75 T CB -0.164 68.696 68.868 -0.014 0.000 1.152 75 T HN 0.258 nan 8.240 nan 0.000 0.527 76 L N 0.781 121.982 121.223 -0.037 0.000 2.046 76 L HA 0.233 4.597 4.340 0.040 0.000 0.208 76 L C -0.309 176.258 176.870 -0.506 0.000 1.077 76 L CA 1.612 56.245 54.840 -0.344 0.000 0.747 76 L CB -0.297 41.404 42.059 -0.596 0.000 0.896 76 L HN 0.417 nan 8.230 nan 0.000 0.432 77 Y N -0.219 120.089 120.300 0.013 0.000 2.705 77 Y HA 0.425 4.999 4.550 0.040 0.000 0.355 77 Y C -2.263 173.666 175.900 0.049 0.000 1.039 77 Y CA -3.622 54.471 58.100 -0.012 0.000 1.233 77 Y CB -0.138 38.275 38.460 -0.077 0.000 1.103 77 Y HN 0.053 nan 8.280 nan 0.000 0.624 78 P HA 0.182 nan 4.420 nan 0.000 0.267 78 P C 1.010 178.364 177.300 0.090 0.000 1.209 78 P CA 1.127 64.279 63.100 0.087 0.000 0.763 78 P CB 0.829 32.554 31.700 0.042 0.000 0.816 79 G N 2.424 111.266 108.800 0.070 0.000 2.176 79 G HA2 -0.273 3.711 3.960 0.040 0.000 0.253 79 G HA3 -0.273 3.711 3.960 0.040 0.000 0.253 79 G C -0.179 174.755 174.900 0.057 0.000 0.979 79 G CA -0.415 44.708 45.100 0.038 0.000 0.641 79 G HN 0.540 nan 8.290 nan 0.000 0.530 80 F N 1.967 121.869 119.950 -0.079 0.000 2.411 80 F HA 0.609 5.159 4.527 0.040 0.000 0.355 80 F C 1.297 176.989 175.800 -0.181 0.000 1.117 80 F CA -0.507 57.395 58.000 -0.165 0.000 1.139 80 F CB 1.233 40.100 39.000 -0.222 0.000 1.120 80 F HN 0.198 nan 8.300 nan 0.000 0.493 81 E N 3.744 123.486 120.200 -0.765 0.000 2.130 81 E HA -0.152 4.222 4.350 0.040 0.000 0.196 81 E C 2.073 178.159 176.600 -0.856 0.000 0.998 81 E CA 1.699 57.685 56.400 -0.690 0.000 0.806 81 E CB -0.320 29.061 29.700 -0.532 0.000 0.738 81 E HN 0.994 nan 8.360 nan 0.000 0.459 82 G N -0.597 107.181 108.800 -1.703 0.000 2.470 82 G HA2 -0.262 3.722 3.960 0.040 0.000 0.220 82 G HA3 -0.262 3.722 3.960 0.040 0.000 0.220 82 G C 1.616 176.493 174.900 -0.038 0.000 1.121 82 G CA 1.424 45.873 45.100 -1.085 0.000 0.766 82 G HN 0.474 nan 8.290 nan 0.000 0.553 83 T N -2.276 112.243 114.554 -0.058 0.000 3.042 83 T HA 0.142 4.515 4.350 0.040 0.000 0.245 83 T C 1.850 176.705 174.700 0.258 0.000 1.029 83 T CA 0.544 62.919 62.100 0.459 0.000 1.120 83 T CB 0.071 69.265 68.868 0.543 0.000 0.917 83 T HN 0.132 nan 8.240 nan 0.000 0.467 84 E N 2.228 122.427 120.200 -0.000 0.000 2.268 84 E HA -0.045 4.329 4.350 0.040 0.000 0.195 84 E C 2.197 178.704 176.600 -0.156 0.000 0.995 84 E CA 1.105 57.474 56.400 -0.052 0.000 0.836 84 E CB -0.446 29.194 29.700 -0.100 0.000 0.763 84 E HN 0.786 nan 8.360 nan 0.000 0.491 85 M N -2.285 117.125 119.600 -0.318 0.000 2.446 85 M HA -0.065 4.439 4.480 0.040 0.000 0.263 85 M C 1.149 177.062 176.300 -0.645 0.000 1.066 85 M CA 1.412 56.376 55.300 -0.560 0.000 1.087 85 M CB -0.463 31.677 32.600 -0.767 0.000 1.406 85 M HN 0.004 nan 8.290 nan 0.000 0.459 86 W N 0.461 121.702 121.300 -0.098 0.000 3.058 86 W HA 0.321 5.005 4.660 0.039 0.000 0.306 86 W C 0.461 176.912 176.519 -0.114 0.000 1.188 86 W CA -0.997 56.276 57.345 -0.120 0.000 1.651 86 W CB -0.068 29.372 29.460 -0.034 0.000 1.051 86 W HN 0.073 nan 8.180 nan 0.000 0.592 87 N N 1.682 120.429 118.700 0.079 0.000 2.444 87 N HA 0.117 4.881 4.740 0.040 0.000 0.255 87 N C -2.398 173.066 175.510 -0.076 0.000 1.255 87 N CA -1.318 51.740 53.050 0.012 0.000 0.933 87 N CB -0.059 38.429 38.487 0.001 0.000 1.143 87 N HN -0.335 nan 8.380 nan 0.000 0.453 88 P HA 0.033 nan 4.420 nan 0.000 0.262 88 P C 0.264 177.483 177.300 -0.134 0.000 1.182 88 P CA 0.102 63.122 63.100 -0.134 0.000 0.761 88 P CB 0.313 31.931 31.700 -0.136 0.000 0.795 89 N N 2.410 121.015 118.700 -0.159 0.000 2.205 89 N HA 0.059 4.822 4.740 0.040 0.000 0.201 89 N C 0.221 175.661 175.510 -0.116 0.000 1.128 89 N CA 0.136 53.099 53.050 -0.145 0.000 0.867 89 N CB 0.393 38.773 38.487 -0.178 0.000 0.996 89 N HN 0.157 nan 8.380 nan 0.000 0.503 90 R N 0.201 120.632 120.500 -0.115 0.000 2.922 90 R HA 0.361 4.725 4.340 0.040 0.000 0.256 90 R C -0.167 176.085 176.300 -0.080 0.000 1.138 90 R CA -0.635 55.416 56.100 -0.081 0.000 0.995 90 R CB 0.578 30.838 30.300 -0.067 0.000 1.226 90 R HN 0.108 nan 8.270 nan 0.000 0.481 91 E N 1.515 121.678 120.200 -0.062 0.000 2.392 91 E HA 0.099 4.473 4.350 0.040 0.000 0.264 91 E C -0.003 176.562 176.600 -0.059 0.000 1.024 91 E CA -0.003 56.365 56.400 -0.054 0.000 0.903 91 E CB 0.577 30.256 29.700 -0.035 0.000 0.963 91 E HN 0.261 nan 8.360 nan 0.000 0.432 92 L N 1.746 122.927 121.223 -0.069 0.000 2.397 92 L HA 0.203 4.567 4.340 0.040 0.000 0.271 92 L C 0.671 177.582 176.870 0.070 0.000 1.148 92 L CA 0.126 54.916 54.840 -0.084 0.000 0.825 92 L CB 0.775 42.642 42.059 -0.320 0.000 1.117 92 L HN 0.384 nan 8.230 nan 0.000 0.456 93 S N 0.854 116.609 115.700 0.092 0.000 2.542 93 S HA 0.180 4.674 4.470 0.040 0.000 0.276 93 S C 0.202 174.802 174.600 0.000 0.000 1.148 93 S CA -0.670 57.576 58.200 0.077 0.000 0.886 93 S CB 1.551 64.767 63.200 0.027 0.000 1.109 93 S HN 0.751 nan 8.310 nan 0.000 0.458 94 E N 1.103 121.237 120.200 -0.110 0.000 2.274 94 E HA -0.074 4.300 4.350 0.040 0.000 0.194 94 E C -0.203 176.328 176.600 -0.115 0.000 0.996 94 E CA 0.502 56.770 56.400 -0.220 0.000 0.840 94 E CB 0.103 29.611 29.700 -0.321 0.000 0.772 94 E HN 0.568 nan 8.360 nan 0.000 0.491 95 D N 0.450 120.820 120.400 -0.050 0.000 2.455 95 D HA -0.027 4.637 4.640 0.040 0.000 0.234 95 D C 0.089 176.468 176.300 0.131 0.000 1.224 95 D CA -0.177 53.830 54.000 0.011 0.000 0.999 95 D CB -0.111 40.711 40.800 0.038 0.000 1.072 95 D HN 0.142 nan 8.370 nan 0.000 0.514 96 c N 2.336 120.980 118.600 0.072 0.000 3.772 96 c HA 0.374 4.968 4.570 0.040 0.000 0.293 96 c C 0.750 174.906 174.090 0.111 0.000 1.659 96 c CA -0.687 55.755 56.329 0.189 0.000 1.810 96 c CB -1.259 41.306 42.510 0.092 0.000 3.059 96 c HN 0.427 nan 8.230 nan 0.000 0.617 97 L N 2.538 123.564 121.223 -0.329 0.000 2.384 97 L HA 0.382 4.746 4.340 0.040 0.000 0.258 97 L C -0.884 175.398 176.870 -0.979 0.000 1.266 97 L CA 0.533 54.984 54.840 -0.649 0.000 1.162 97 L CB -0.736 40.795 42.059 -0.879 0.000 1.375 97 L HN 0.400 nan 8.230 nan 0.000 0.420 98 Y N 1.828 122.138 120.300 0.015 0.000 2.576 98 Y HA 0.669 5.243 4.550 0.040 0.000 0.346 98 Y C -0.075 176.017 175.900 0.320 0.000 1.018 98 Y CA -1.243 56.935 58.100 0.130 0.000 1.050 98 Y CB 1.999 40.479 38.460 0.033 0.000 1.280 98 Y HN 0.193 nan 8.280 nan 0.000 0.474 99 L N -0.286 121.118 121.223 0.301 0.000 2.303 99 L HA 0.787 5.151 4.340 0.040 0.000 0.256 99 L C -1.463 175.410 176.870 0.005 0.000 1.034 99 L CA -1.150 53.746 54.840 0.093 0.000 0.832 99 L CB 1.924 43.864 42.059 -0.198 0.000 1.403 99 L HN 0.486 nan 8.230 nan 0.000 0.419 100 N N 0.223 118.925 118.700 0.003 0.000 2.258 100 N HA 0.693 5.457 4.740 0.040 0.000 0.299 100 N C -1.547 173.869 175.510 -0.157 0.000 1.047 100 N CA -0.388 52.581 53.050 -0.136 0.000 0.814 100 N CB 2.857 41.274 38.487 -0.118 0.000 1.413 100 N HN 0.520 nan 8.380 nan 0.000 0.478 101 V N 1.771 121.530 119.914 -0.259 0.000 2.483 101 V HA 0.455 4.599 4.120 0.040 0.000 0.297 101 V C -0.687 175.364 176.094 -0.072 0.000 1.027 101 V CA -0.793 61.447 62.300 -0.100 0.000 0.855 101 V CB 1.959 33.590 31.823 -0.321 0.000 0.995 101 V HN 0.537 nan 8.190 nan 0.000 0.424 102 W N 3.051 124.447 121.300 0.160 0.000 2.520 102 W HA 0.671 5.356 4.660 0.040 0.000 0.323 102 W C 0.259 176.887 176.519 0.181 0.000 1.062 102 W CA -0.435 57.004 57.345 0.156 0.000 1.215 102 W CB 2.364 31.893 29.460 0.114 0.000 1.340 102 W HN 0.638 nan 8.180 nan 0.000 0.516 103 T N 0.146 114.951 114.554 0.418 0.000 2.883 103 T HA 0.530 4.904 4.350 0.040 0.000 0.296 103 T C -2.832 172.035 174.700 0.279 0.000 1.117 103 T CA -2.497 59.803 62.100 0.334 0.000 1.006 103 T CB 2.282 71.372 68.868 0.370 0.000 1.191 103 T HN -0.077 nan 8.240 nan 0.000 0.508 104 P HA 0.194 nan 4.420 nan 0.000 0.268 104 P C -1.555 175.875 177.300 0.218 0.000 1.208 104 P CA -0.156 63.057 63.100 0.188 0.000 0.777 104 P CB 0.066 31.848 31.700 0.135 0.000 0.875 105 Y N 3.778 124.128 120.300 0.083 0.000 2.328 105 Y HA 0.404 4.978 4.550 0.040 0.000 0.333 105 Y C -2.002 173.929 175.900 0.051 0.000 0.958 105 Y CA -2.453 55.688 58.100 0.068 0.000 1.167 105 Y CB 1.015 39.501 38.460 0.044 0.000 1.151 105 Y HN 0.355 nan 8.280 nan 0.000 0.470 106 P HA 0.135 nan 4.420 nan 0.000 0.273 106 P C -0.883 176.368 177.300 -0.082 0.000 1.250 106 P CA -0.534 62.388 63.100 -0.297 0.000 0.793 106 P CB 0.892 32.467 31.700 -0.208 0.000 1.011 107 R N 1.488 121.942 120.500 -0.077 0.000 2.583 107 R HA 0.063 4.427 4.340 0.040 0.000 0.274 107 R C -1.674 174.646 176.300 0.033 0.000 0.998 107 R CA -0.838 55.280 56.100 0.031 0.000 1.081 107 R CB -0.542 29.774 30.300 0.027 0.000 0.940 107 R HN 0.383 nan 8.270 nan 0.000 0.413 108 P HA -0.087 nan 4.420 nan 0.000 0.264 108 P C -0.431 176.887 177.300 0.030 0.000 1.183 108 P CA 0.379 63.510 63.100 0.052 0.000 0.763 108 P CB 0.868 32.609 31.700 0.069 0.000 0.807 109 A N 3.140 125.972 122.820 0.019 0.000 1.969 109 A HA -0.000 4.344 4.320 0.040 0.000 0.218 109 A C 1.075 178.664 177.584 0.008 0.000 1.169 109 A CA 1.478 53.520 52.037 0.009 0.000 0.635 109 A CB -0.535 18.468 19.000 0.006 0.000 0.810 109 A HN 0.685 nan 8.150 nan 0.000 0.445 110 S N -1.090 114.619 115.700 0.014 0.000 2.568 110 S HA 0.623 5.117 4.470 0.040 0.000 0.293 110 S C -3.255 171.355 174.600 0.018 0.000 1.089 110 S CA -1.874 56.331 58.200 0.010 0.000 0.945 110 S CB 1.523 64.726 63.200 0.005 0.000 1.077 110 S HN 0.025 nan 8.310 nan 0.000 0.485 111 P HA 0.088 nan 4.420 nan 0.000 0.257 111 P C -0.520 176.792 177.300 0.020 0.000 1.162 111 P CA 0.487 63.598 63.100 0.019 0.000 0.762 111 P CB -0.285 31.418 31.700 0.005 0.000 0.753 112 T N 5.638 120.215 114.554 0.039 0.000 2.859 112 T HA 0.425 4.799 4.350 0.040 0.000 0.281 112 T C -2.399 172.324 174.700 0.038 0.000 1.005 112 T CA -1.845 60.279 62.100 0.040 0.000 1.025 112 T CB 0.994 69.900 68.868 0.063 0.000 0.977 112 T HN 0.166 nan 8.240 nan 0.000 0.458 113 P HA 0.174 nan 4.420 nan 0.000 0.266 113 P C -1.009 176.321 177.300 0.050 0.000 1.195 113 P CA -0.265 62.845 63.100 0.016 0.000 0.768 113 P CB 0.412 32.104 31.700 -0.014 0.000 0.838 114 V N 4.749 124.706 119.914 0.073 0.000 2.417 114 V HA 0.324 4.468 4.120 0.040 0.000 0.291 114 V C 0.204 176.370 176.094 0.120 0.000 1.024 114 V CA -0.506 61.862 62.300 0.114 0.000 0.861 114 V CB 1.253 33.160 31.823 0.140 0.000 0.985 114 V HN 0.350 nan 8.190 nan 0.000 0.436 115 L N 5.821 127.123 121.223 0.132 0.000 2.295 115 L HA 0.593 4.957 4.340 0.040 0.000 0.285 115 L C -0.495 176.596 176.870 0.368 0.000 1.035 115 L CA -0.199 54.731 54.840 0.149 0.000 0.806 115 L CB 1.574 43.582 42.059 -0.085 0.000 1.214 115 L HN 0.487 nan 8.230 nan 0.000 0.426 116 I N 2.821 123.657 120.570 0.443 0.000 2.354 116 I HA 0.185 4.379 4.170 0.040 0.000 0.286 116 I C -0.625 175.812 176.117 0.533 0.000 1.007 116 I CA -0.423 61.130 61.300 0.422 0.000 1.167 116 I CB 1.170 39.284 38.000 0.191 0.000 1.320 116 I HN 0.641 nan 8.210 nan 0.000 0.458 117 W N 8.556 130.011 121.300 0.259 0.000 2.287 117 W HA 0.528 5.212 4.660 0.039 0.000 0.313 117 W C -1.430 174.999 176.519 -0.151 0.000 1.267 117 W CA -0.484 56.750 57.345 -0.185 0.000 1.201 117 W CB 1.083 30.460 29.460 -0.139 0.000 1.196 117 W HN 0.358 nan 8.180 nan 0.000 0.536 118 I N 9.095 129.015 120.570 -1.084 0.000 2.411 118 I HA 0.075 4.269 4.170 0.040 0.000 0.284 118 I C -0.218 175.089 176.117 -1.350 0.000 1.012 118 I CA -1.115 59.616 61.300 -0.949 0.000 1.119 118 I CB 0.724 38.346 38.000 -0.631 0.000 1.261 118 I HN 0.305 nan 8.210 nan 0.000 0.448 119 Y N 4.562 124.374 120.300 -0.813 0.000 2.385 119 Y HA 0.650 5.224 4.550 0.040 0.000 0.346 119 Y C 0.805 176.511 175.900 -0.323 0.000 1.270 119 Y CA -0.683 57.066 58.100 -0.584 0.000 1.472 119 Y CB -0.103 38.256 38.460 -0.169 0.000 1.354 119 Y HN 0.518 nan 8.280 nan 0.000 0.611 120 G N -1.224 107.576 108.800 0.000 0.000 2.671 120 G HA2 0.496 4.480 3.960 0.040 0.000 0.275 120 G HA3 0.496 4.480 3.960 0.040 0.000 0.275 120 G C 0.282 175.118 174.900 -0.106 0.000 1.368 120 G CA -0.947 44.077 45.100 -0.127 0.000 1.044 120 G HN 1.707 nan 8.290 nan 0.000 0.543 121 G N -2.863 105.713 108.800 -0.374 0.000 2.215 121 G HA2 0.398 4.382 3.960 0.040 0.000 0.187 121 G HA3 0.398 4.382 3.960 0.040 0.000 0.187 121 G C 1.077 175.448 174.900 -0.881 0.000 1.039 121 G CA 0.754 45.518 45.100 -0.560 0.000 0.771 121 G HN 2.349 nan 8.290 nan 0.000 0.507 122 G N -0.463 107.794 108.800 -0.906 0.000 2.187 122 G HA2 -0.139 3.845 3.960 0.040 0.000 0.261 122 G HA3 -0.139 3.845 3.960 0.040 0.000 0.261 122 G C 0.926 175.555 174.900 -0.451 0.000 1.000 122 G CA 0.831 45.151 45.100 -1.300 0.000 0.718 122 G HN 1.766 nan 8.290 nan 0.000 0.519 123 F N -3.434 116.401 119.950 -0.192 0.000 2.871 123 F HA -0.325 4.226 4.527 0.040 0.000 0.326 123 F C 1.478 177.413 175.800 0.225 0.000 0.675 123 F CA 2.149 60.168 58.000 0.032 0.000 1.188 123 F CB -2.101 36.751 39.000 -0.247 0.000 1.567 123 F HN 0.876 nan 8.300 nan 0.000 0.325 124 Y N -0.710 119.736 120.300 0.243 0.000 2.445 124 Y HA 0.650 5.224 4.550 0.039 0.000 0.247 124 Y C 0.630 176.699 175.900 0.282 0.000 1.129 124 Y CA 0.254 58.548 58.100 0.322 0.000 1.251 124 Y CB 0.073 38.778 38.460 0.408 0.000 1.176 124 Y HN 0.122 nan 8.280 nan 0.000 0.522 125 S N -0.992 114.557 115.700 -0.252 0.000 2.661 125 S HA 0.841 5.335 4.470 0.040 0.000 0.268 125 S C -0.274 174.182 174.600 -0.240 0.000 1.162 125 S CA -0.436 57.636 58.200 -0.213 0.000 0.817 125 S CB 1.373 64.388 63.200 -0.308 0.000 1.141 125 S HN 1.373 nan 8.310 nan 0.000 0.477 126 G N -0.594 108.022 108.800 -0.308 0.000 2.392 126 G HA2 0.569 4.553 3.960 0.040 0.000 0.677 126 G HA3 0.569 4.553 3.960 0.040 0.000 0.677 126 G C -0.691 173.593 174.900 -1.026 0.000 1.334 126 G CA -0.202 44.534 45.100 -0.606 0.000 0.961 126 G HN 2.254 nan 8.290 nan 0.000 0.616 127 A N -1.132 120.988 122.820 -1.166 0.000 2.605 127 A HA 1.003 5.346 4.320 0.040 0.000 0.294 127 A C 0.564 177.961 177.584 -0.310 0.000 1.062 127 A CA 0.568 52.155 52.037 -0.751 0.000 0.682 127 A CB 0.951 19.736 19.000 -0.358 0.000 1.278 127 A HN 2.577 nan 8.150 nan 0.000 0.410 128 A N 0.335 123.189 122.820 0.055 0.000 2.238 128 A HA 0.290 4.634 4.320 0.040 0.000 0.208 128 A C 1.589 179.217 177.584 0.074 0.000 1.177 128 A CA 1.632 53.875 52.037 0.342 0.000 0.804 128 A CB -0.556 18.713 19.000 0.450 0.000 0.823 128 A HN 1.783 nan 8.150 nan 0.000 0.482 129 S N -0.584 114.914 115.700 -0.336 0.000 2.556 129 S HA 0.341 4.835 4.470 0.040 0.000 0.216 129 S C 0.442 174.636 174.600 -0.676 0.000 0.970 129 S CA -0.471 57.091 58.200 -1.064 0.000 0.912 129 S CB -0.559 61.896 63.200 -1.241 0.000 0.790 129 S HN 0.369 nan 8.310 nan 0.000 0.504 130 L N 2.166 123.136 121.223 -0.422 0.000 2.483 130 L HA 0.168 4.532 4.340 0.040 0.000 0.276 130 L C 1.161 177.730 176.870 -0.501 0.000 1.213 130 L CA -0.458 54.075 54.840 -0.512 0.000 0.843 130 L CB 0.195 41.815 42.059 -0.731 0.000 1.107 130 L HN 0.059 nan 8.230 nan 0.000 0.487 131 D N 0.982 121.126 120.400 -0.426 0.000 2.190 131 D HA -0.151 4.512 4.640 0.040 0.000 0.200 131 D C 1.931 177.984 176.300 -0.412 0.000 0.992 131 D CA 1.323 55.132 54.000 -0.317 0.000 0.854 131 D CB -0.034 40.608 40.800 -0.265 0.000 0.936 131 D HN 0.520 nan 8.370 nan 0.000 0.462 132 V N -1.682 117.838 119.914 -0.656 0.000 3.141 132 V HA -0.111 4.033 4.120 0.040 0.000 0.265 132 V C 0.982 176.550 176.094 -0.876 0.000 1.126 132 V CA 0.907 62.799 62.300 -0.681 0.000 1.141 132 V CB -1.058 30.347 31.823 -0.697 0.000 0.743 132 V HN 0.065 nan 8.190 nan 0.000 0.492 133 Y N 0.223 119.997 120.300 -0.878 0.000 2.524 133 Y HA 0.442 5.016 4.550 0.040 0.000 0.266 133 Y C 0.863 176.166 175.900 -0.995 0.000 1.180 133 Y CA -1.935 55.263 58.100 -1.503 0.000 1.244 133 Y CB -0.808 37.123 38.460 -0.882 0.000 1.125 133 Y HN 0.252 nan 8.280 nan 0.000 0.524 134 D N 0.794 120.924 120.400 -0.451 0.000 2.412 134 D HA 0.033 4.697 4.640 0.040 0.000 0.257 134 D C 1.415 177.422 176.300 -0.490 0.000 1.217 134 D CA 0.550 54.352 54.000 -0.329 0.000 0.897 134 D CB 1.303 42.058 40.800 -0.074 0.000 1.132 134 D HN 0.452 nan 8.370 nan 0.000 0.493 135 G N 4.142 112.038 108.800 -1.507 0.000 2.920 135 G HA2 -0.154 3.830 3.960 0.040 0.000 0.208 135 G HA3 -0.154 3.830 3.960 0.040 0.000 0.208 135 G C 1.481 175.853 174.900 -0.880 0.000 1.159 135 G CA -0.008 44.394 45.100 -1.164 0.000 0.784 135 G HN 0.525 nan 8.290 nan 0.000 0.535 136 R N -0.399 119.493 120.500 -1.014 0.000 2.112 136 R HA -0.190 4.174 4.340 0.040 0.000 0.242 136 R C 2.030 178.044 176.300 -0.477 0.000 1.137 136 R CA 1.972 57.682 56.100 -0.650 0.000 0.944 136 R CB -0.379 29.407 30.300 -0.857 0.000 0.857 136 R HN 0.407 nan 8.270 nan 0.000 0.435 137 F N 0.395 120.254 119.950 -0.151 0.000 2.113 137 F HA -0.109 4.443 4.527 0.041 0.000 0.297 137 F C 2.316 178.063 175.800 -0.090 0.000 1.103 137 F CA 0.906 58.846 58.000 -0.101 0.000 1.248 137 F CB -0.630 38.303 39.000 -0.111 0.000 0.999 137 F HN -0.010 nan 8.300 nan 0.000 0.475 138 L N -0.155 121.103 121.223 0.057 0.000 2.079 138 L HA -0.233 4.131 4.340 0.040 0.000 0.210 138 L C 2.703 179.580 176.870 0.012 0.000 1.081 138 L CA 1.151 55.986 54.840 -0.009 0.000 0.752 138 L CB -0.932 41.075 42.059 -0.085 0.000 0.896 138 L HN 0.199 nan 8.230 nan 0.000 0.433 139 A N -1.012 121.817 122.820 0.015 0.000 1.873 139 A HA -0.236 4.108 4.320 0.040 0.000 0.215 139 A C 2.289 179.912 177.584 0.065 0.000 1.186 139 A CA 1.506 53.588 52.037 0.074 0.000 0.616 139 A CB -0.490 18.595 19.000 0.142 0.000 0.823 139 A HN 0.381 nan 8.150 nan 0.000 0.442 140 Q N -0.152 119.668 119.800 0.033 0.000 2.049 140 Q HA -0.078 4.286 4.340 0.040 0.000 0.198 140 Q C 2.202 178.230 176.000 0.045 0.000 0.971 140 Q CA 1.984 57.811 55.803 0.040 0.000 0.833 140 Q CB -0.233 28.510 28.738 0.007 0.000 0.896 140 Q HN 0.419 nan 8.270 nan 0.000 0.434 141 V N 1.202 121.143 119.914 0.045 0.000 2.346 141 V HA -0.117 4.027 4.120 0.040 0.000 0.244 141 V C 1.823 177.933 176.094 0.026 0.000 1.037 141 V CA 1.518 63.841 62.300 0.038 0.000 1.029 141 V CB -0.216 31.631 31.823 0.040 0.000 0.663 141 V HN 0.227 nan 8.190 nan 0.000 0.454 142 E N -0.021 120.193 120.200 0.023 0.000 2.479 142 E HA 0.166 4.540 4.350 0.040 0.000 0.193 142 E C 1.751 178.368 176.600 0.028 0.000 1.049 142 E CA 0.726 57.136 56.400 0.016 0.000 0.870 142 E CB 0.222 29.923 29.700 0.002 0.000 0.944 142 E HN 0.613 nan 8.360 nan 0.000 0.492 143 G N 1.612 110.438 108.800 0.043 0.000 2.179 143 G HA2 -0.320 3.663 3.960 0.040 0.000 0.257 143 G HA3 -0.320 3.663 3.960 0.040 0.000 0.257 143 G C 0.496 175.437 174.900 0.068 0.000 1.010 143 G CA 0.436 45.571 45.100 0.058 0.000 0.736 143 G HN 0.487 nan 8.290 nan 0.000 0.513 144 A N -0.696 122.164 122.820 0.065 0.000 2.371 144 A HA 0.690 5.034 4.320 0.040 0.000 0.257 144 A C 0.537 178.198 177.584 0.127 0.000 1.089 144 A CA 0.048 52.129 52.037 0.074 0.000 0.794 144 A CB 1.154 20.178 19.000 0.041 0.000 1.029 144 A HN 1.104 nan 8.150 nan 0.000 0.488 145 V N 3.381 123.379 119.914 0.140 0.000 2.385 145 V HA 0.307 4.451 4.120 0.040 0.000 0.269 145 V C -0.005 176.217 176.094 0.214 0.000 1.043 145 V CA 0.008 62.423 62.300 0.190 0.000 0.906 145 V CB 0.576 32.503 31.823 0.173 0.000 0.995 145 V HN 0.719 nan 8.190 nan 0.000 0.467 146 L N 6.363 127.768 121.223 0.303 0.000 2.322 146 L HA 0.754 5.118 4.340 0.040 0.000 0.281 146 L C -0.755 176.403 176.870 0.480 0.000 1.014 146 L CA -0.261 54.808 54.840 0.382 0.000 0.815 146 L CB 1.873 44.154 42.059 0.371 0.000 1.247 146 L HN 0.435 nan 8.230 nan 0.000 0.421 147 V N 2.808 122.985 119.914 0.439 0.000 2.680 147 V HA 0.750 4.894 4.120 0.040 0.000 0.309 147 V C -0.557 175.800 176.094 0.439 0.000 1.052 147 V CA -0.466 62.051 62.300 0.362 0.000 0.908 147 V CB 2.056 34.011 31.823 0.219 0.000 1.001 147 V HN 0.844 nan 8.190 nan 0.000 0.431 148 S N 4.560 120.501 115.700 0.401 0.000 2.536 148 S HA 0.842 5.336 4.470 0.040 0.000 0.271 148 S C -0.901 173.856 174.600 0.262 0.000 1.134 148 S CA -0.838 57.606 58.200 0.406 0.000 0.897 148 S CB 2.204 65.778 63.200 0.624 0.000 1.094 148 S HN 0.907 nan 8.310 nan 0.000 0.473 149 M N 1.394 121.111 119.600 0.195 0.000 2.664 149 M HA 0.659 5.162 4.480 0.040 0.000 0.314 149 M C -1.530 174.992 176.300 0.370 0.000 1.200 149 M CA -0.508 54.898 55.300 0.177 0.000 0.916 149 M CB 1.052 33.596 32.600 -0.094 0.000 1.717 149 M HN 0.562 nan 8.290 nan 0.000 0.470 150 N N 2.220 121.189 118.700 0.448 0.000 2.524 150 N HA 0.576 5.340 4.740 0.040 0.000 0.283 150 N C -1.400 174.398 175.510 0.480 0.000 1.142 150 N CA 0.072 53.405 53.050 0.472 0.000 0.984 150 N CB 0.642 39.339 38.487 0.350 0.000 1.155 150 N HN 0.723 nan 8.380 nan 0.000 0.467 151 Y N -1.834 118.647 120.300 0.301 0.000 2.553 151 Y HA 0.564 5.138 4.550 0.040 0.000 0.347 151 Y C -0.122 175.916 175.900 0.230 0.000 1.019 151 Y CA -1.321 56.905 58.100 0.211 0.000 1.032 151 Y CB 0.963 39.477 38.460 0.090 0.000 1.284 151 Y HN 0.199 nan 8.280 nan 0.000 0.466 152 R N 2.032 122.687 120.500 0.259 0.000 2.489 152 R HA 0.470 4.834 4.340 0.040 0.000 0.287 152 R C -0.276 176.184 176.300 0.266 0.000 1.053 152 R CA -0.167 56.038 56.100 0.174 0.000 1.036 152 R CB 0.853 31.216 30.300 0.105 0.000 0.966 152 R HN 0.725 nan 8.270 nan 0.000 0.432 153 V N 0.196 120.304 119.914 0.324 0.000 3.166 153 V HA 0.868 5.012 4.120 0.040 0.000 0.317 153 V C 0.815 177.241 176.094 0.553 0.000 1.136 153 V CA -0.099 62.502 62.300 0.502 0.000 1.035 153 V CB 1.149 33.180 31.823 0.346 0.000 1.110 153 V HN 0.958 nan 8.190 nan 0.000 0.450 154 G N 1.731 110.890 108.800 0.598 0.000 2.582 154 G HA2 -0.325 3.659 3.960 0.040 0.000 0.288 154 G HA3 -0.325 3.659 3.960 0.040 0.000 0.288 154 G C 1.069 176.083 174.900 0.189 0.000 1.247 154 G CA 1.720 47.079 45.100 0.431 0.000 0.972 154 G HN 2.358 nan 8.290 nan 0.000 0.557 155 T N -1.750 112.624 114.554 -0.300 0.000 2.720 155 T HA -0.083 4.291 4.350 0.040 0.000 0.268 155 T C 2.153 176.721 174.700 -0.220 0.000 1.037 155 T CA 2.609 64.306 62.100 -0.672 0.000 1.144 155 T CB -0.445 67.877 68.868 -0.910 0.000 0.864 155 T HN 0.600 nan 8.240 nan 0.000 0.444 156 F N 2.346 122.365 119.950 0.115 0.000 2.154 156 F HA 0.148 4.699 4.527 0.040 0.000 0.301 156 F C 2.805 178.622 175.800 0.028 0.000 1.087 156 F CA 1.038 59.069 58.000 0.052 0.000 1.274 156 F CB -1.087 37.910 39.000 -0.005 0.000 1.009 156 F HN 0.393 nan 8.300 nan 0.000 0.485 157 G N -2.215 106.671 108.800 0.145 0.000 2.719 157 G HA2 0.026 4.010 3.960 0.040 0.000 0.211 157 G HA3 0.026 4.010 3.960 0.040 0.000 0.211 157 G C 0.900 175.364 174.900 -0.727 0.000 1.140 157 G CA 0.208 45.135 45.100 -0.287 0.000 0.790 157 G HN 0.358 nan 8.290 nan 0.000 0.529 158 F N -0.653 119.388 119.950 0.152 0.000 2.856 158 F HA 0.430 4.981 4.527 0.040 0.000 0.338 158 F C 0.460 176.324 175.800 0.107 0.000 1.100 158 F CA -0.941 57.125 58.000 0.110 0.000 1.150 158 F CB 0.393 39.465 39.000 0.120 0.000 1.101 158 F HN -0.100 nan 8.300 nan 0.000 0.548 159 L N 2.270 123.535 121.223 0.069 0.000 2.534 159 L HA 0.488 4.852 4.340 0.040 0.000 0.271 159 L C 0.042 176.855 176.870 -0.095 0.000 1.178 159 L CA 0.067 54.839 54.840 -0.113 0.000 0.907 159 L CB 0.211 41.918 42.059 -0.586 0.000 1.164 159 L HN 0.133 nan 8.230 nan 0.000 0.482 160 A N 6.259 129.075 122.820 -0.006 0.000 2.371 160 A HA 0.713 5.057 4.320 0.040 0.000 0.311 160 A C -1.061 176.493 177.584 -0.049 0.000 1.068 160 A CA -0.583 51.440 52.037 -0.024 0.000 0.744 160 A CB 1.268 20.288 19.000 0.033 0.000 1.239 160 A HN 0.700 nan 8.150 nan 0.000 0.435 161 L N 3.510 124.692 121.223 -0.067 0.000 2.387 161 L HA 0.329 4.693 4.340 0.040 0.000 0.259 161 L C -2.461 174.394 176.870 -0.026 0.000 1.050 161 L CA -1.637 53.172 54.840 -0.051 0.000 0.922 161 L CB 1.646 43.660 42.059 -0.073 0.000 1.280 161 L HN 0.412 nan 8.230 nan 0.000 0.449 162 P HA 0.087 nan 4.420 nan 0.000 0.262 162 P C 0.973 178.273 177.300 -0.002 0.000 1.182 162 P CA 0.762 63.861 63.100 -0.002 0.000 0.761 162 P CB 0.902 32.601 31.700 -0.002 0.000 0.795 163 G N 1.947 110.750 108.800 0.005 0.000 2.217 163 G HA2 -0.247 3.736 3.960 0.040 0.000 0.246 163 G HA3 -0.247 3.736 3.960 0.040 0.000 0.246 163 G C 0.402 175.305 174.900 0.005 0.000 0.990 163 G CA 0.270 45.374 45.100 0.006 0.000 0.627 163 G HN 0.801 nan 8.290 nan 0.000 0.522 164 S N -0.136 115.565 115.700 0.001 0.000 2.603 164 S HA 0.693 5.187 4.470 0.040 0.000 0.268 164 S C 1.392 175.999 174.600 0.012 0.000 1.317 164 S CA -0.073 58.128 58.200 0.001 0.000 1.012 164 S CB 1.668 64.862 63.200 -0.010 0.000 0.926 164 S HN 0.218 nan 8.310 nan 0.000 0.539 165 R N 1.369 121.878 120.500 0.016 0.000 2.210 165 R HA 0.167 4.531 4.340 0.040 0.000 0.203 165 R C 1.318 177.638 176.300 0.034 0.000 1.010 165 R CA 0.833 56.948 56.100 0.025 0.000 1.008 165 R CB -0.966 29.348 30.300 0.023 0.000 0.923 165 R HN 0.776 nan 8.270 nan 0.000 0.469 166 E N 0.284 120.504 120.200 0.034 0.000 2.340 166 E HA 0.172 4.546 4.350 0.040 0.000 0.194 166 E C 0.068 176.715 176.600 0.078 0.000 0.996 166 E CA 0.780 57.214 56.400 0.057 0.000 0.869 166 E CB 0.531 30.265 29.700 0.057 0.000 0.835 166 E HN 0.179 nan 8.360 nan 0.000 0.493 167 A N 1.119 123.957 122.820 0.030 0.000 3.370 167 A HA 0.299 4.642 4.320 0.040 0.000 0.295 167 A C -2.228 175.351 177.584 -0.008 0.000 1.030 167 A CA -0.950 51.089 52.037 0.002 0.000 0.883 167 A CB 0.465 19.376 19.000 -0.150 0.000 1.191 167 A HN -0.075 nan 8.150 nan 0.000 0.507 168 P HA 0.205 nan 4.420 nan 0.000 0.245 168 P C 0.844 178.159 177.300 0.024 0.000 1.212 168 P CA 1.476 64.590 63.100 0.023 0.000 0.774 168 P CB 0.177 31.900 31.700 0.039 0.000 0.999 169 G N 1.081 109.892 108.800 0.019 0.000 2.712 169 G HA2 -0.182 3.802 3.960 0.040 0.000 0.686 169 G HA3 -0.182 3.802 3.960 0.040 0.000 0.686 169 G C -0.066 174.835 174.900 0.001 0.000 1.321 169 G CA -0.323 44.793 45.100 0.027 0.000 0.813 169 G HN 0.130 nan 8.290 nan 0.000 0.599 170 N N -2.357 116.342 118.700 -0.001 0.000 2.753 170 N HA -0.287 4.477 4.740 0.040 0.000 0.251 170 N C 1.885 177.249 175.510 -0.242 0.000 1.097 170 N CA 2.367 55.355 53.050 -0.104 0.000 0.786 170 N CB -1.710 36.648 38.487 -0.215 0.000 1.137 170 N HN 1.927 nan 8.380 nan 0.000 0.566 171 V N -2.413 117.358 119.914 -0.239 0.000 2.490 171 V HA -0.024 4.120 4.120 0.040 0.000 0.250 171 V C 2.320 178.290 176.094 -0.208 0.000 1.061 171 V CA 2.339 64.544 62.300 -0.159 0.000 1.064 171 V CB -0.942 30.839 31.823 -0.070 0.000 0.670 171 V HN 0.277 nan 8.190 nan 0.000 0.461 172 G N 0.264 108.758 108.800 -0.510 0.000 2.448 172 G HA2 -0.122 3.862 3.960 0.040 0.000 0.219 172 G HA3 -0.122 3.862 3.960 0.040 0.000 0.219 172 G C 1.540 176.396 174.900 -0.074 0.000 1.127 172 G CA 1.109 46.031 45.100 -0.296 0.000 0.766 172 G HN 0.549 nan 8.290 nan 0.000 0.552 173 L N -0.277 120.852 121.223 -0.156 0.000 2.131 173 L HA 0.131 4.495 4.340 0.040 0.000 0.206 173 L C 2.762 179.643 176.870 0.018 0.000 1.087 173 L CA 0.261 54.988 54.840 -0.189 0.000 0.767 173 L CB -0.249 41.382 42.059 -0.715 0.000 0.917 173 L HN 0.168 nan 8.230 nan 0.000 0.441 174 L N -0.527 120.716 121.223 0.034 0.000 2.141 174 L HA -0.199 4.165 4.340 0.040 0.000 0.209 174 L C 2.136 179.129 176.870 0.205 0.000 1.094 174 L CA 0.807 55.767 54.840 0.200 0.000 0.763 174 L CB -0.568 41.588 42.059 0.162 0.000 0.908 174 L HN 0.262 nan 8.230 nan 0.000 0.437 175 D N 0.031 120.537 120.400 0.176 0.000 2.092 175 D HA -0.212 4.452 4.640 0.040 0.000 0.193 175 D C 2.280 178.740 176.300 0.267 0.000 0.994 175 D CA 1.248 55.429 54.000 0.302 0.000 0.828 175 D CB -0.225 40.760 40.800 0.308 0.000 0.963 175 D HN 0.372 nan 8.370 nan 0.000 0.450 176 Q N 0.132 120.014 119.800 0.136 0.000 2.077 176 Q HA -0.181 4.183 4.340 0.040 0.000 0.206 176 Q C 2.311 178.319 176.000 0.013 0.000 0.989 176 Q CA 1.308 57.116 55.803 0.008 0.000 0.853 176 Q CB -0.151 28.595 28.738 0.014 0.000 0.907 176 Q HN 0.206 nan 8.270 nan 0.000 0.418 177 R N 0.485 121.108 120.500 0.206 0.000 2.091 177 R HA -0.197 4.167 4.340 0.040 0.000 0.238 177 R C 2.206 178.580 176.300 0.123 0.000 1.136 177 R CA 1.166 57.379 56.100 0.189 0.000 0.959 177 R CB -0.247 30.257 30.300 0.341 0.000 0.856 177 R HN 0.219 nan 8.270 nan 0.000 0.437 178 L N 0.658 121.984 121.223 0.172 0.000 2.046 178 L HA -0.052 4.311 4.340 0.040 0.000 0.208 178 L C 2.293 179.219 176.870 0.094 0.000 1.077 178 L CA 2.123 57.094 54.840 0.219 0.000 0.747 178 L CB -0.763 41.525 42.059 0.380 0.000 0.896 178 L HN 0.267 nan 8.230 nan 0.000 0.432 179 A N -0.940 121.713 122.820 -0.279 0.000 1.940 179 A HA -0.189 4.155 4.320 0.040 0.000 0.219 179 A C 2.142 179.660 177.584 -0.110 0.000 1.176 179 A CA 1.895 53.578 52.037 -0.590 0.000 0.631 179 A CB -0.802 17.628 19.000 -0.950 0.000 0.814 179 A HN 0.416 nan 8.150 nan 0.000 0.446 180 L N -0.596 120.586 121.223 -0.069 0.000 2.046 180 L HA -0.189 4.174 4.340 0.040 0.000 0.208 180 L C 2.652 179.578 176.870 0.093 0.000 1.077 180 L CA 2.078 56.921 54.840 0.004 0.000 0.747 180 L CB -0.875 41.148 42.059 -0.060 0.000 0.896 180 L HN 0.456 nan 8.230 nan 0.000 0.432 181 Q N -2.313 117.556 119.800 0.115 0.000 2.124 181 Q HA -0.262 4.102 4.340 0.040 0.000 0.202 181 Q C 2.099 178.201 176.000 0.171 0.000 0.977 181 Q CA 1.870 57.752 55.803 0.132 0.000 0.850 181 Q CB -0.338 28.484 28.738 0.139 0.000 0.901 181 Q HN 0.591 nan 8.270 nan 0.000 0.429 182 W N -0.224 121.098 121.300 0.037 0.000 2.358 182 W HA -0.202 4.482 4.660 0.040 0.000 0.303 182 W C 1.731 178.287 176.519 0.060 0.000 1.208 182 W CA 1.176 58.561 57.345 0.066 0.000 1.274 182 W CB -0.061 29.442 29.460 0.072 0.000 1.138 182 W HN -0.130 nan 8.180 nan 0.000 0.515 183 V N 0.901 121.038 119.914 0.372 0.000 2.343 183 V HA -0.351 3.793 4.120 0.040 0.000 0.247 183 V C 2.534 178.662 176.094 0.057 0.000 1.051 183 V CA 2.042 64.482 62.300 0.232 0.000 1.036 183 V CB -0.993 30.968 31.823 0.229 0.000 0.654 183 V HN 0.200 nan 8.190 nan 0.000 0.451 184 Q N -0.070 119.765 119.800 0.058 0.000 2.135 184 Q HA -0.225 4.139 4.340 0.040 0.000 0.204 184 Q C 2.179 178.155 176.000 -0.040 0.000 0.981 184 Q CA 1.751 57.571 55.803 0.027 0.000 0.856 184 Q CB -0.278 28.484 28.738 0.040 0.000 0.902 184 Q HN 0.739 nan 8.270 nan 0.000 0.425 185 E N -0.375 119.763 120.200 -0.104 0.000 2.230 185 E HA -0.006 4.368 4.350 0.040 0.000 0.192 185 E C 1.280 177.717 176.600 -0.271 0.000 0.987 185 E CA 0.425 56.724 56.400 -0.169 0.000 0.841 185 E CB 0.260 29.857 29.700 -0.172 0.000 0.783 185 E HN 0.326 nan 8.360 nan 0.000 0.481 186 N N -0.190 118.259 118.700 -0.418 0.000 2.360 186 N HA 0.028 4.792 4.740 0.040 0.000 0.211 186 N C 1.505 176.909 175.510 -0.176 0.000 1.147 186 N CA 0.046 52.785 53.050 -0.517 0.000 0.866 186 N CB 0.466 38.175 38.487 -1.297 0.000 1.206 186 N HN 0.021 nan 8.380 nan 0.000 0.478 187 I N 2.643 123.174 120.570 -0.066 0.000 2.361 187 I HA -0.130 4.064 4.170 0.040 0.000 0.251 187 I C 2.198 178.434 176.117 0.200 0.000 1.133 187 I CA 0.686 62.089 61.300 0.172 0.000 1.413 187 I CB -0.300 37.778 38.000 0.131 0.000 1.073 187 I HN 0.072 nan 8.210 nan 0.000 0.424 188 A N 0.296 123.157 122.820 0.069 0.000 1.986 188 A HA -0.198 4.146 4.320 0.040 0.000 0.220 188 A C 2.471 180.058 177.584 0.006 0.000 1.171 188 A CA 1.808 53.866 52.037 0.035 0.000 0.640 188 A CB -1.165 17.828 19.000 -0.010 0.000 0.811 188 A HN 0.493 nan 8.150 nan 0.000 0.451 189 A N -1.700 121.086 122.820 -0.056 0.000 2.070 189 A HA 0.091 4.435 4.320 0.040 0.000 0.220 189 A C 1.602 178.998 177.584 -0.314 0.000 1.159 189 A CA 1.199 53.101 52.037 -0.224 0.000 0.656 189 A CB -0.620 18.158 19.000 -0.371 0.000 0.800 189 A HN 0.508 nan 8.150 nan 0.000 0.453 190 F N -1.480 118.429 119.950 -0.069 0.000 2.727 190 F HA 0.369 4.920 4.527 0.040 0.000 0.302 190 F C 1.849 177.665 175.800 0.027 0.000 1.097 190 F CA 0.642 58.622 58.000 -0.034 0.000 1.330 190 F CB 0.366 39.361 39.000 -0.009 0.000 1.084 190 F HN 0.338 nan 8.300 nan 0.000 0.578 191 G N 0.076 108.972 108.800 0.161 0.000 2.176 191 G HA2 -0.190 3.794 3.960 0.040 0.000 0.232 191 G HA3 -0.190 3.794 3.960 0.040 0.000 0.232 191 G C 0.720 175.690 174.900 0.118 0.000 0.986 191 G CA -0.328 44.840 45.100 0.114 0.000 0.643 191 G HN 0.693 nan 8.290 nan 0.000 0.522 192 G N -0.210 108.682 108.800 0.153 0.000 2.483 192 G HA2 0.427 4.411 3.960 0.040 0.000 0.248 192 G HA3 0.427 4.411 3.960 0.040 0.000 0.248 192 G C -0.545 174.404 174.900 0.081 0.000 1.248 192 G CA 0.437 45.610 45.100 0.123 0.000 0.838 192 G HN 0.215 nan 8.290 nan 0.000 0.566 193 D N 1.783 122.220 120.400 0.061 0.000 2.396 193 D HA 0.258 4.922 4.640 0.040 0.000 0.225 193 D C -1.097 175.231 176.300 0.048 0.000 1.121 193 D CA -2.319 51.700 54.000 0.031 0.000 0.853 193 D CB 1.858 42.657 40.800 -0.001 0.000 1.043 193 D HN 0.065 nan 8.370 nan 0.000 0.500 194 P HA -0.065 nan 4.420 nan 0.000 0.226 194 P C 1.315 178.701 177.300 0.143 0.000 1.153 194 P CA 0.568 63.727 63.100 0.098 0.000 0.777 194 P CB 0.254 31.994 31.700 0.066 0.000 0.794 195 M N -1.090 118.520 119.600 0.017 0.000 2.618 195 M HA 0.054 4.558 4.480 0.040 0.000 0.240 195 M C 0.661 176.593 176.300 -0.613 0.000 1.123 195 M CA 0.580 55.785 55.300 -0.158 0.000 1.060 195 M CB 0.089 32.611 32.600 -0.131 0.000 1.535 195 M HN -0.175 nan 8.290 nan 0.000 0.507 196 S N 0.791 116.330 115.700 -0.268 0.000 2.279 196 S HA 0.423 4.917 4.470 0.040 0.000 0.176 196 S C -1.028 173.618 174.600 0.077 0.000 1.554 196 S CA -0.570 57.495 58.200 -0.225 0.000 1.242 196 S CB 0.427 63.535 63.200 -0.154 0.000 1.163 196 S HN -0.027 nan 8.310 nan 0.000 0.449 197 V N 4.168 124.313 119.914 0.386 0.000 2.378 197 V HA 0.511 4.655 4.120 0.040 0.000 0.288 197 V C -0.049 176.232 176.094 0.311 0.000 1.016 197 V CA -0.479 62.016 62.300 0.324 0.000 0.840 197 V CB 1.825 33.840 31.823 0.320 0.000 0.994 197 V HN 0.735 nan 8.190 nan 0.000 0.431 198 T N 6.618 121.293 114.554 0.202 0.000 2.758 198 T HA 0.570 4.944 4.350 0.040 0.000 0.285 198 T C -0.131 174.698 174.700 0.214 0.000 0.981 198 T CA -0.347 61.869 62.100 0.194 0.000 0.965 198 T CB 0.783 69.710 68.868 0.098 0.000 0.927 198 T HN 0.338 nan 8.240 nan 0.000 0.448 199 L N 4.945 126.270 121.223 0.171 0.000 2.380 199 L HA 0.598 4.962 4.340 0.040 0.000 0.273 199 L C -0.258 176.815 176.870 0.338 0.000 1.138 199 L CA -0.655 54.258 54.840 0.121 0.000 0.832 199 L CB 0.146 42.055 42.059 -0.251 0.000 1.124 199 L HN 0.616 nan 8.230 nan 0.000 0.454 200 F N 0.509 120.518 119.950 0.097 0.000 2.599 200 F HA 0.973 5.524 4.527 0.039 0.000 0.311 200 F C -0.257 175.518 175.800 -0.041 0.000 1.076 200 F CA -1.707 56.392 58.000 0.166 0.000 0.937 200 F CB 1.577 40.821 39.000 0.406 0.000 1.282 200 F HN 0.472 nan 8.300 nan 0.000 0.460 201 G N 0.779 109.444 108.800 -0.226 0.000 2.601 201 G HA2 0.479 4.463 3.960 0.040 0.000 0.291 201 G HA3 0.479 4.463 3.960 0.040 0.000 0.291 201 G C -2.566 172.097 174.900 -0.395 0.000 1.456 201 G CA -0.797 43.780 45.100 -0.872 0.000 0.804 201 G HN 0.883 nan 8.290 nan 0.000 0.499 202 E N 0.103 120.025 120.200 -0.463 0.000 2.248 202 E HA 0.631 5.005 4.350 0.040 0.000 0.267 202 E C 0.717 177.242 176.600 -0.126 0.000 0.877 202 E CA 0.594 56.945 56.400 -0.081 0.000 0.759 202 E CB 1.940 31.727 29.700 0.144 0.000 1.182 202 E HN 1.912 nan 8.360 nan 0.000 0.418 203 A N 3.732 126.545 122.820 -0.010 0.000 5.195 203 A HA -0.385 3.959 4.320 0.040 0.000 0.310 203 A C 1.621 179.266 177.584 0.101 0.000 1.951 203 A CA 2.034 54.122 52.037 0.085 0.000 0.714 203 A CB -2.198 16.793 19.000 -0.014 0.000 1.301 203 A HN 1.250 nan 8.150 nan 0.000 0.369 204 A N -1.083 121.654 122.820 -0.138 0.000 1.978 204 A HA 0.218 4.562 4.320 0.040 0.000 0.220 204 A C 2.839 180.175 177.584 -0.413 0.000 1.170 204 A CA 2.523 54.302 52.037 -0.429 0.000 0.636 204 A CB -1.483 16.844 19.000 -1.121 0.000 0.810 204 A HN 2.407 nan 8.150 nan 0.000 0.448 205 G N -0.646 107.950 108.800 -0.340 0.000 2.408 205 G HA2 0.034 4.017 3.960 0.040 0.000 0.217 205 G HA3 0.034 4.017 3.960 0.040 0.000 0.217 205 G C 1.696 176.427 174.900 -0.282 0.000 1.150 205 G CA 1.292 46.149 45.100 -0.405 0.000 0.776 205 G HN 0.766 nan 8.290 nan 0.000 0.542 206 A N 1.167 123.893 122.820 -0.156 0.000 1.898 206 A HA 0.358 4.701 4.320 0.040 0.000 0.216 206 A C 2.814 180.390 177.584 -0.014 0.000 1.181 206 A CA 2.010 54.016 52.037 -0.051 0.000 0.620 206 A CB -0.772 18.250 19.000 0.036 0.000 0.819 206 A HN 0.733 nan 8.150 nan 0.000 0.442 207 A N -0.198 122.642 122.820 0.035 0.000 1.908 207 A HA -0.112 4.232 4.320 0.040 0.000 0.218 207 A C 2.443 180.048 177.584 0.034 0.000 1.181 207 A CA 2.215 54.270 52.037 0.030 0.000 0.627 207 A CB -0.910 18.138 19.000 0.081 0.000 0.818 207 A HN 0.466 nan 8.150 nan 0.000 0.445 208 S N -0.355 115.362 115.700 0.027 0.000 2.348 208 S HA -0.155 4.339 4.470 0.040 0.000 0.221 208 S C 1.914 176.515 174.600 0.002 0.000 1.033 208 S CA 1.456 59.642 58.200 -0.023 0.000 1.010 208 S CB -0.719 62.405 63.200 -0.126 0.000 0.891 208 S HN 0.353 nan 8.310 nan 0.000 0.442 209 V N 1.939 121.843 119.914 -0.016 0.000 2.278 209 V HA -0.250 3.894 4.120 0.040 0.000 0.251 209 V C 2.654 178.759 176.094 0.017 0.000 1.062 209 V CA 2.130 64.420 62.300 -0.017 0.000 1.038 209 V CB -1.626 30.153 31.823 -0.073 0.000 0.646 209 V HN 0.620 nan 8.190 nan 0.000 0.447 210 G N -1.231 107.572 108.800 0.006 0.000 2.442 210 G HA2 -0.292 3.692 3.960 0.040 0.000 0.219 210 G HA3 -0.292 3.692 3.960 0.040 0.000 0.219 210 G C 1.618 176.545 174.900 0.045 0.000 1.141 210 G CA 1.166 46.274 45.100 0.013 0.000 0.763 210 G HN 0.458 nan 8.290 nan 0.000 0.554 211 M N -0.189 119.423 119.600 0.020 0.000 2.229 211 M HA 0.007 4.511 4.480 0.040 0.000 0.264 211 M C 2.303 178.676 176.300 0.121 0.000 1.063 211 M CA 0.921 56.257 55.300 0.059 0.000 1.114 211 M CB -0.211 32.391 32.600 0.003 0.000 1.387 211 M HN 0.230 nan 8.290 nan 0.000 0.420 212 H N -0.277 118.903 119.070 0.183 0.000 2.423 212 H HA -0.022 4.558 4.556 0.040 0.000 0.297 212 H C 2.118 177.631 175.328 0.308 0.000 1.075 212 H CA 1.437 57.597 56.048 0.187 0.000 1.342 212 H CB -0.284 29.466 29.762 -0.019 0.000 1.395 212 H HN 0.422 nan 8.280 nan 0.000 0.530 213 I N 0.755 121.567 120.570 0.403 0.000 2.286 213 I HA -0.232 3.962 4.170 0.040 0.000 0.248 213 I C 1.745 178.040 176.117 0.296 0.000 1.115 213 I CA 1.075 62.627 61.300 0.419 0.000 1.392 213 I CB -0.073 38.084 38.000 0.262 0.000 1.065 213 I HN 0.111 nan 8.210 nan 0.000 0.418 214 L N -0.732 120.618 121.223 0.211 0.000 2.611 214 L HA 0.133 4.497 4.340 0.040 0.000 0.229 214 L C 0.747 177.663 176.870 0.075 0.000 1.137 214 L CA 0.009 54.951 54.840 0.169 0.000 0.901 214 L CB 0.048 42.190 42.059 0.138 0.000 1.098 214 L HN 0.020 nan 8.230 nan 0.000 0.456 215 S N -0.610 115.102 115.700 0.021 0.000 2.605 215 S HA 0.332 4.826 4.470 0.040 0.000 0.308 215 S C 0.587 175.112 174.600 -0.124 0.000 1.113 215 S CA -0.604 57.494 58.200 -0.169 0.000 1.049 215 S CB 1.585 64.424 63.200 -0.602 0.000 1.001 215 S HN 0.077 nan 8.310 nan 0.000 0.480 216 L N 6.585 127.738 121.223 -0.116 0.000 1.989 216 L HA 0.107 4.471 4.340 0.040 0.000 0.211 216 L C -0.902 175.924 176.870 -0.075 0.000 1.071 216 L CA 2.044 56.837 54.840 -0.077 0.000 0.749 216 L CB -1.069 40.947 42.059 -0.070 0.000 0.890 216 L HN 0.528 nan 8.230 nan 0.000 0.431 217 P HA -0.115 nan 4.420 nan 0.000 0.219 217 P C 1.681 178.975 177.300 -0.012 0.000 1.146 217 P CA 1.270 64.334 63.100 -0.061 0.000 0.808 217 P CB 0.037 31.690 31.700 -0.077 0.000 0.779 218 S N -1.108 114.601 115.700 0.014 0.000 2.436 218 S HA -0.019 4.475 4.470 0.040 0.000 0.228 218 S C 1.836 176.555 174.600 0.199 0.000 1.014 218 S CA 0.580 58.892 58.200 0.188 0.000 0.950 218 S CB -0.367 63.068 63.200 0.392 0.000 0.784 218 S HN 0.091 nan 8.310 nan 0.000 0.504 219 R N 1.780 122.295 120.500 0.026 0.000 2.148 219 R HA 0.028 4.392 4.340 0.040 0.000 0.227 219 R C 2.058 178.161 176.300 -0.329 0.000 1.103 219 R CA 1.147 57.113 56.100 -0.224 0.000 0.983 219 R CB -0.942 29.260 30.300 -0.164 0.000 0.874 219 R HN 0.532 nan 8.270 nan 0.000 0.451 220 S N -0.153 115.448 115.700 -0.164 0.000 2.701 220 S HA 0.128 4.622 4.470 0.040 0.000 0.220 220 S C 1.514 176.030 174.600 -0.141 0.000 0.954 220 S CA 0.048 58.153 58.200 -0.158 0.000 0.936 220 S CB -0.163 62.990 63.200 -0.078 0.000 0.777 220 S HN 0.196 nan 8.310 nan 0.000 0.518 221 L N 0.158 121.319 121.223 -0.102 0.000 2.766 221 L HA 0.500 4.864 4.340 0.040 0.000 0.242 221 L C -0.069 176.849 176.870 0.081 0.000 1.136 221 L CA -0.320 54.536 54.840 0.027 0.000 0.933 221 L CB 0.120 42.252 42.059 0.121 0.000 1.241 221 L HN 0.516 nan 8.230 nan 0.000 0.522 222 F N -3.892 115.865 119.950 -0.321 0.000 2.741 222 F HA 0.464 5.015 4.527 0.040 0.000 0.313 222 F C 0.195 175.643 175.800 -0.587 0.000 1.153 222 F CA -1.056 56.725 58.000 -0.366 0.000 0.931 222 F CB 0.883 39.817 39.000 -0.110 0.000 1.335 222 F HN -0.117 nan 8.300 nan 0.000 0.460 223 H N -1.267 117.848 119.070 0.075 0.000 3.205 223 H HA 0.534 5.114 4.556 0.040 0.000 0.252 223 H C -0.212 175.133 175.328 0.028 0.000 1.015 223 H CA -0.212 55.805 56.048 -0.052 0.000 1.192 223 H CB 0.704 30.440 29.762 -0.042 0.000 1.474 223 H HN 0.411 nan 8.280 nan 0.000 0.484 224 R N 0.054 120.732 120.500 0.296 0.000 2.764 224 R HA 0.804 5.168 4.340 0.040 0.000 0.270 224 R C -1.583 174.965 176.300 0.413 0.000 1.014 224 R CA -0.864 55.380 56.100 0.239 0.000 0.904 224 R CB 2.568 32.815 30.300 -0.089 0.000 1.236 224 R HN 0.156 nan 8.270 nan 0.000 0.466 225 A N 1.029 124.111 122.820 0.436 0.000 2.520 225 A HA 0.659 5.003 4.320 0.040 0.000 0.298 225 A C -1.508 176.247 177.584 0.285 0.000 1.051 225 A CA -0.591 51.643 52.037 0.327 0.000 0.690 225 A CB 1.856 21.016 19.000 0.266 0.000 1.281 225 A HN 0.291 nan 8.150 nan 0.000 0.402 226 V N 2.283 122.320 119.914 0.205 0.000 2.483 226 V HA 0.512 4.656 4.120 0.040 0.000 0.297 226 V C -1.097 175.096 176.094 0.164 0.000 1.027 226 V CA -0.304 62.056 62.300 0.101 0.000 0.855 226 V CB 1.279 33.184 31.823 0.136 0.000 0.995 226 V HN 0.690 nan 8.190 nan 0.000 0.424 227 L N 5.069 126.357 121.223 0.109 0.000 2.324 227 L HA 0.502 4.866 4.340 0.040 0.000 0.274 227 L C 0.051 177.018 176.870 0.161 0.000 1.012 227 L CA 0.077 54.977 54.840 0.100 0.000 0.859 227 L CB 1.466 43.542 42.059 0.029 0.000 1.224 227 L HN 0.630 nan 8.230 nan 0.000 0.429 228 Q N 1.897 121.843 119.800 0.243 0.000 2.331 228 Q HA 0.413 4.777 4.340 0.040 0.000 0.257 228 Q C 0.309 176.423 176.000 0.190 0.000 0.957 228 Q CA -0.423 55.573 55.803 0.322 0.000 0.923 228 Q CB 1.115 30.124 28.738 0.453 0.000 1.212 228 Q HN 0.615 nan 8.270 nan 0.000 0.443 229 S N 1.093 116.888 115.700 0.159 0.000 3.682 229 S HA -0.157 4.337 4.470 0.040 0.000 0.354 229 S C -0.006 174.752 174.600 0.262 0.000 1.034 229 S CA 0.524 58.832 58.200 0.181 0.000 1.084 229 S CB -1.194 62.090 63.200 0.140 0.000 0.903 229 S HN 1.007 nan 8.310 nan 0.000 0.470 230 G N -0.490 108.442 108.800 0.221 0.000 2.556 230 G HA2 0.619 4.603 3.960 0.040 0.000 0.294 230 G HA3 0.619 4.603 3.960 0.040 0.000 0.294 230 G C -0.954 174.030 174.900 0.139 0.000 1.516 230 G CA 0.233 45.529 45.100 0.327 0.000 0.824 230 G HN 1.017 nan 8.290 nan 0.000 0.535 231 T N -1.251 113.335 114.554 0.054 0.000 2.889 231 T HA 0.736 5.110 4.350 0.040 0.000 0.315 231 T C -2.426 172.146 174.700 -0.214 0.000 1.291 231 T CA -1.292 60.755 62.100 -0.088 0.000 1.028 231 T CB 3.008 71.806 68.868 -0.116 0.000 1.235 231 T HN 0.283 nan 8.240 nan 0.000 0.491 232 P HA 0.001 nan 4.420 nan 0.000 0.220 232 P C 0.336 177.485 177.300 -0.250 0.000 1.152 232 P CA 0.634 63.620 63.100 -0.190 0.000 0.812 232 P CB -0.065 31.578 31.700 -0.095 0.000 0.792 233 N N 0.602 119.172 118.700 -0.215 0.000 2.347 233 N HA 0.294 5.058 4.740 0.040 0.000 0.253 233 N C 0.795 176.109 175.510 -0.325 0.000 1.274 233 N CA 0.619 53.540 53.050 -0.215 0.000 0.941 233 N CB 0.087 38.491 38.487 -0.138 0.000 1.200 233 N HN 0.206 nan 8.380 nan 0.000 0.514 234 G N -0.902 107.726 108.800 -0.287 0.000 2.592 234 G HA2 -0.123 3.861 3.960 0.040 0.000 0.684 234 G HA3 -0.123 3.861 3.960 0.040 0.000 0.684 234 G C -2.321 172.349 174.900 -0.384 0.000 1.291 234 G CA -0.245 44.641 45.100 -0.356 0.000 0.891 234 G HN 0.525 nan 8.290 nan 0.000 0.544 235 P HA 0.157 nan 4.420 nan 0.000 0.231 235 P C 1.464 178.701 177.300 -0.104 0.000 1.168 235 P CA 1.963 64.931 63.100 -0.221 0.000 0.779 235 P CB -0.027 31.500 31.700 -0.289 0.000 0.844 236 W N -2.007 119.218 121.300 -0.125 0.000 2.835 236 W HA 0.574 5.258 4.660 0.040 0.000 0.278 236 W C 1.071 177.677 176.519 0.145 0.000 1.075 236 W CA 0.431 57.780 57.345 0.007 0.000 1.439 236 W CB -0.763 28.741 29.460 0.073 0.000 0.927 236 W HN -0.181 nan 8.180 nan 0.000 0.604 237 A N 2.013 124.482 122.820 -0.585 0.000 2.016 237 A HA 0.095 4.439 4.320 0.040 0.000 0.217 237 A C 1.247 178.665 177.584 -0.276 0.000 1.162 237 A CA 1.978 53.731 52.037 -0.473 0.000 0.662 237 A CB -0.837 17.637 19.000 -0.876 0.000 0.812 237 A HN 0.259 nan 8.150 nan 0.000 0.450 238 T N -3.399 111.008 114.554 -0.244 0.000 2.865 238 T HA 0.632 5.006 4.350 0.040 0.000 0.294 238 T C -0.598 174.021 174.700 -0.135 0.000 1.119 238 T CA -0.115 61.860 62.100 -0.209 0.000 1.007 238 T CB 1.442 70.198 68.868 -0.187 0.000 1.225 238 T HN 0.930 nan 8.240 nan 0.000 0.515 239 V N -1.278 118.564 119.914 -0.120 0.000 3.078 239 V HA 0.903 5.047 4.120 0.040 0.000 0.311 239 V C 0.268 176.320 176.094 -0.071 0.000 1.138 239 V CA -0.782 61.466 62.300 -0.086 0.000 1.007 239 V CB 1.298 33.070 31.823 -0.085 0.000 1.045 239 V HN 1.395 nan 8.190 nan 0.000 0.432 240 S N 1.679 117.345 115.700 -0.056 0.000 2.608 240 S HA 0.617 5.111 4.470 0.040 0.000 0.261 240 S C 1.404 175.983 174.600 -0.035 0.000 1.314 240 S CA 0.130 58.304 58.200 -0.042 0.000 0.992 240 S CB 1.194 64.372 63.200 -0.037 0.000 0.935 240 S HN 1.968 nan 8.310 nan 0.000 0.564 241 A N 1.863 124.668 122.820 -0.025 0.000 1.865 241 A HA 0.111 4.455 4.320 0.040 0.000 0.217 241 A C 2.286 179.858 177.584 -0.021 0.000 1.191 241 A CA 1.854 53.881 52.037 -0.017 0.000 0.623 241 A CB -1.994 17.000 19.000 -0.011 0.000 0.826 241 A HN 1.222 nan 8.150 nan 0.000 0.444 242 G N -0.370 108.417 108.800 -0.022 0.000 2.513 242 G HA2 -0.335 3.649 3.960 0.040 0.000 0.219 242 G HA3 -0.335 3.649 3.960 0.040 0.000 0.219 242 G C 1.470 176.352 174.900 -0.030 0.000 1.160 242 G CA 1.561 46.647 45.100 -0.023 0.000 0.767 242 G HN 0.623 nan 8.290 nan 0.000 0.571 243 E N 0.673 120.851 120.200 -0.037 0.000 2.274 243 E HA 0.195 4.569 4.350 0.040 0.000 0.194 243 E C 2.512 179.075 176.600 -0.061 0.000 0.996 243 E CA 1.231 57.601 56.400 -0.050 0.000 0.840 243 E CB -0.354 29.312 29.700 -0.056 0.000 0.772 243 E HN 0.323 nan 8.360 nan 0.000 0.491 244 A N 0.703 123.495 122.820 -0.046 0.000 1.898 244 A HA -0.056 4.288 4.320 0.040 0.000 0.214 244 A C 2.228 179.807 177.584 -0.009 0.000 1.183 244 A CA 1.276 53.295 52.037 -0.031 0.000 0.622 244 A CB -0.501 18.498 19.000 -0.002 0.000 0.824 244 A HN 0.250 nan 8.150 nan 0.000 0.444 245 R N -0.281 120.210 120.500 -0.015 0.000 2.103 245 R HA -0.172 4.192 4.340 0.040 0.000 0.242 245 R C 2.427 178.718 176.300 -0.016 0.000 1.142 245 R CA 1.842 57.932 56.100 -0.016 0.000 0.960 245 R CB -0.310 29.979 30.300 -0.019 0.000 0.858 245 R HN 0.506 nan 8.270 nan 0.000 0.439 246 R N 0.401 120.887 120.500 -0.024 0.000 2.075 246 R HA -0.106 4.258 4.340 0.040 0.000 0.232 246 R C 2.180 178.465 176.300 -0.025 0.000 1.126 246 R CA 1.654 57.739 56.100 -0.026 0.000 0.963 246 R CB -0.081 30.199 30.300 -0.033 0.000 0.858 246 R HN 0.281 nan 8.270 nan 0.000 0.435 247 R N -0.131 120.341 120.500 -0.046 0.000 2.075 247 R HA -0.032 4.332 4.340 0.040 0.000 0.232 247 R C 2.369 178.719 176.300 0.085 0.000 1.126 247 R CA 1.286 57.346 56.100 -0.068 0.000 0.963 247 R CB -0.324 29.804 30.300 -0.286 0.000 0.858 247 R HN 0.226 nan 8.270 nan 0.000 0.435 248 A N 0.688 123.587 122.820 0.131 0.000 1.877 248 A HA -0.140 4.204 4.320 0.040 0.000 0.216 248 A C 2.171 179.765 177.584 0.018 0.000 1.186 248 A CA 1.884 53.990 52.037 0.116 0.000 0.620 248 A CB -0.885 18.128 19.000 0.021 0.000 0.822 248 A HN 0.264 nan 8.150 nan 0.000 0.443 249 T N 0.091 114.645 114.554 -0.001 0.000 2.759 249 T HA -0.146 4.228 4.350 0.040 0.000 0.269 249 T C 1.781 176.476 174.700 -0.008 0.000 1.042 249 T CA 1.566 63.657 62.100 -0.015 0.000 1.140 249 T CB -0.298 68.560 68.868 -0.017 0.000 0.864 249 T HN 0.293 nan 8.240 nan 0.000 0.455 250 L N 0.740 121.967 121.223 0.007 0.000 2.072 250 L HA 0.234 4.598 4.340 0.040 0.000 0.205 250 L C 2.153 179.031 176.870 0.014 0.000 1.079 250 L CA 1.313 56.158 54.840 0.009 0.000 0.752 250 L CB -0.894 41.173 42.059 0.013 0.000 0.906 250 L HN 0.187 nan 8.230 nan 0.000 0.436 251 L N -0.215 121.040 121.223 0.053 0.000 2.046 251 L HA -0.122 4.242 4.340 0.040 0.000 0.208 251 L C 2.493 179.348 176.870 -0.025 0.000 1.077 251 L CA 1.940 56.809 54.840 0.048 0.000 0.747 251 L CB -0.727 41.404 42.059 0.121 0.000 0.896 251 L HN 0.285 nan 8.230 nan 0.000 0.432 252 A N -0.301 122.500 122.820 -0.031 0.000 1.883 252 A HA -0.284 4.060 4.320 0.040 0.000 0.217 252 A C 2.523 180.081 177.584 -0.045 0.000 1.186 252 A CA 1.974 53.984 52.037 -0.044 0.000 0.624 252 A CB -0.756 18.215 19.000 -0.049 0.000 0.822 252 A HN 0.516 nan 8.150 nan 0.000 0.444 253 R N -0.412 120.063 120.500 -0.041 0.000 2.091 253 R HA -0.092 4.271 4.340 0.040 0.000 0.238 253 R C 1.943 178.197 176.300 -0.077 0.000 1.136 253 R CA 1.612 57.685 56.100 -0.044 0.000 0.959 253 R CB -0.394 29.887 30.300 -0.032 0.000 0.856 253 R HN 0.558 nan 8.270 nan 0.000 0.437 254 L N 0.664 121.813 121.223 -0.124 0.000 2.201 254 L HA -0.082 4.282 4.340 0.040 0.000 0.212 254 L C 1.864 178.533 176.870 -0.335 0.000 1.105 254 L CA 0.683 55.356 54.840 -0.278 0.000 0.775 254 L CB 0.032 41.845 42.059 -0.410 0.000 0.913 254 L HN 0.184 nan 8.230 nan 0.000 0.440 255 V N -3.786 116.025 119.914 -0.171 0.000 3.342 255 V HA 0.486 4.630 4.120 0.040 0.000 0.322 255 V C 1.120 177.202 176.094 -0.019 0.000 1.370 255 V CA 0.211 62.475 62.300 -0.060 0.000 1.170 255 V CB -0.371 31.461 31.823 0.015 0.000 1.101 255 V HN 0.434 nan 8.190 nan 0.000 0.442 256 G N -0.230 108.550 108.800 -0.034 0.000 2.160 256 G HA2 -0.233 3.750 3.960 0.040 0.000 0.244 256 G HA3 -0.233 3.750 3.960 0.040 0.000 0.244 256 G C 0.005 174.901 174.900 -0.007 0.000 1.022 256 G CA 0.014 45.106 45.100 -0.013 0.000 0.741 256 G HN 0.730 nan 8.290 nan 0.000 0.508 257 c N 1.738 120.329 118.600 -0.014 0.000 2.322 257 c HA 0.766 5.360 4.570 0.040 0.000 0.324 257 c C -1.003 173.077 174.090 -0.016 0.000 1.284 257 c CA -1.282 55.041 56.329 -0.010 0.000 1.606 257 c CB 1.660 44.165 42.510 -0.008 0.000 2.251 257 c HN 0.494 nan 8.230 nan 0.000 0.502 265 N N 1.867 120.561 118.700 -0.010 0.000 4.035 265 N HA -0.121 4.643 4.740 0.040 0.000 0.258 265 N C 0.258 175.762 175.510 -0.011 0.000 2.100 265 N CA 0.561 53.607 53.050 -0.008 0.000 2.541 265 N CB -0.260 38.224 38.487 -0.004 0.000 0.512 265 N HN 0.446 nan 8.380 nan 0.000 0.523 266 D N 1.876 122.268 120.400 -0.013 0.000 2.106 266 D HA -0.123 4.541 4.640 0.040 0.000 0.191 266 D C 1.457 177.749 176.300 -0.013 0.000 0.997 266 D CA 2.538 56.527 54.000 -0.019 0.000 0.834 266 D CB -0.223 40.566 40.800 -0.019 0.000 0.956 266 D HN 0.740 nan 8.370 nan 0.000 0.448 267 T N 0.773 115.325 114.554 -0.003 0.000 2.653 267 T HA -0.240 4.134 4.350 0.040 0.000 0.268 267 T C 1.819 176.524 174.700 0.009 0.000 1.035 267 T CA 1.776 63.880 62.100 0.007 0.000 1.154 267 T CB -0.290 68.583 68.868 0.009 0.000 0.862 267 T HN 0.322 nan 8.240 nan 0.000 0.441 268 E N 0.368 120.570 120.200 0.004 0.000 2.047 268 E HA -0.076 4.298 4.350 0.040 0.000 0.191 268 E C 2.276 178.878 176.600 0.003 0.000 0.987 268 E CA 0.780 57.183 56.400 0.005 0.000 0.799 268 E CB -0.222 29.479 29.700 0.002 0.000 0.752 268 E HN 0.434 nan 8.360 nan 0.000 0.449 269 L N 0.662 121.880 121.223 -0.008 0.000 2.042 269 L HA -0.190 4.174 4.340 0.040 0.000 0.210 269 L C 2.285 179.145 176.870 -0.018 0.000 1.076 269 L CA 1.300 56.128 54.840 -0.019 0.000 0.749 269 L CB -0.133 41.905 42.059 -0.035 0.000 0.893 269 L HN 0.220 nan 8.230 nan 0.000 0.432 270 I N -0.372 120.188 120.570 -0.017 0.000 2.353 270 I HA -0.217 3.977 4.170 0.040 0.000 0.248 270 I C 2.689 178.857 176.117 0.085 0.000 1.119 270 I CA 0.963 62.268 61.300 0.007 0.000 1.417 270 I CB -0.516 37.486 38.000 0.003 0.000 1.078 270 I HN 0.300 nan 8.210 nan 0.000 0.421 271 A N -0.230 122.623 122.820 0.056 0.000 1.902 271 A HA -0.287 4.057 4.320 0.040 0.000 0.217 271 A C 2.523 180.141 177.584 0.057 0.000 1.181 271 A CA 1.928 53.999 52.037 0.057 0.000 0.623 271 A CB -1.335 17.686 19.000 0.036 0.000 0.818 271 A HN 0.617 nan 8.150 nan 0.000 0.443 272 c N -0.553 118.072 118.600 0.042 0.000 2.446 272 c HA 0.027 4.621 4.570 0.040 0.000 0.277 272 c C 2.564 176.688 174.090 0.056 0.000 1.275 272 c CA 1.032 57.383 56.329 0.037 0.000 1.727 272 c CB -1.556 40.966 42.510 0.020 0.000 2.010 272 c HN 0.583 nan 8.230 nan 0.000 0.486 273 L N 0.316 121.585 121.223 0.077 0.000 2.127 273 L HA -0.122 4.242 4.340 0.040 0.000 0.211 273 L C 2.952 179.938 176.870 0.194 0.000 1.089 273 L CA 1.451 56.370 54.840 0.132 0.000 0.757 273 L CB -0.621 41.514 42.059 0.126 0.000 0.899 273 L HN 0.379 nan 8.230 nan 0.000 0.434 274 R N -0.647 119.960 120.500 0.177 0.000 2.235 274 R HA -0.087 4.277 4.340 0.040 0.000 0.213 274 R C 2.131 178.450 176.300 0.032 0.000 1.059 274 R CA 1.537 57.689 56.100 0.087 0.000 0.997 274 R CB -0.219 30.124 30.300 0.072 0.000 0.884 274 R HN 0.478 nan 8.270 nan 0.000 0.462 275 T N -1.548 113.030 114.554 0.041 0.000 3.113 275 T HA 0.105 4.479 4.350 0.040 0.000 0.256 275 T C 0.858 175.571 174.700 0.022 0.000 1.131 275 T CA 0.004 62.118 62.100 0.023 0.000 1.074 275 T CB 0.151 69.033 68.868 0.024 0.000 0.944 275 T HN -0.154 nan 8.240 nan 0.000 0.516 276 R N 2.712 123.233 120.500 0.035 0.000 2.265 276 R HA 0.410 4.774 4.340 0.040 0.000 0.314 276 R C -2.728 173.586 176.300 0.024 0.000 1.053 276 R CA -2.696 53.426 56.100 0.037 0.000 0.931 276 R CB 0.253 30.586 30.300 0.055 0.000 1.024 276 R HN 0.249 nan 8.270 nan 0.000 0.457 277 P HA -0.072 nan 4.420 nan 0.000 0.264 277 P C 0.444 177.732 177.300 -0.020 0.000 1.179 277 P CA 0.306 63.395 63.100 -0.020 0.000 0.763 277 P CB 0.580 32.276 31.700 -0.006 0.000 0.806 278 A N 3.019 125.761 122.820 -0.131 0.000 1.903 278 A HA -0.301 4.043 4.320 0.040 0.000 0.219 278 A C 2.138 179.725 177.584 0.006 0.000 1.191 278 A CA 2.166 54.109 52.037 -0.156 0.000 0.638 278 A CB -1.263 17.147 19.000 -0.983 0.000 0.823 278 A HN 0.560 nan 8.150 nan 0.000 0.451 279 Q N -0.195 119.595 119.800 -0.018 0.000 2.224 279 Q HA -0.124 4.240 4.340 0.040 0.000 0.203 279 Q C 1.174 177.286 176.000 0.186 0.000 0.970 279 Q CA 1.761 57.706 55.803 0.236 0.000 0.865 279 Q CB -0.348 28.539 28.738 0.248 0.000 0.922 279 Q HN 0.648 nan 8.270 nan 0.000 0.445 280 D N -0.712 119.765 120.400 0.129 0.000 2.144 280 D HA -0.142 4.522 4.640 0.040 0.000 0.199 280 D C 1.344 177.742 176.300 0.165 0.000 0.984 280 D CA 0.732 54.817 54.000 0.142 0.000 0.834 280 D CB -0.004 40.867 40.800 0.119 0.000 0.955 280 D HN 0.221 nan 8.370 nan 0.000 0.465 281 L N 0.116 121.413 121.223 0.123 0.000 2.044 281 L HA -0.082 4.282 4.340 0.040 0.000 0.205 281 L C 2.442 179.350 176.870 0.063 0.000 1.075 281 L CA 0.924 55.791 54.840 0.044 0.000 0.747 281 L CB -0.853 41.135 42.059 -0.117 0.000 0.903 281 L HN -0.036 nan 8.230 nan 0.000 0.435 282 V N -0.410 119.610 119.914 0.177 0.000 2.407 282 V HA -0.275 3.869 4.120 0.040 0.000 0.248 282 V C 2.158 178.355 176.094 0.172 0.000 1.055 282 V CA 1.542 63.985 62.300 0.238 0.000 1.049 282 V CB -0.594 31.501 31.823 0.453 0.000 0.662 282 V HN 0.373 nan 8.190 nan 0.000 0.455 283 D N -0.777 119.701 120.400 0.130 0.000 2.220 283 D HA -0.185 4.479 4.640 0.040 0.000 0.198 283 D C 1.845 177.990 176.300 -0.259 0.000 1.001 283 D CA 1.495 55.479 54.000 -0.027 0.000 0.875 283 D CB -0.167 40.583 40.800 -0.084 0.000 0.921 283 D HN 0.542 nan 8.370 nan 0.000 0.454 284 H N -1.063 117.997 119.070 -0.017 0.000 2.893 284 H HA 0.159 4.738 4.556 0.040 0.000 0.270 284 H C 1.432 176.666 175.328 -0.157 0.000 1.095 284 H CA -0.108 55.878 56.048 -0.102 0.000 1.186 284 H CB 0.632 30.439 29.762 0.075 0.000 1.562 284 H HN 0.265 nan 8.280 nan 0.000 0.536 285 E N 0.541 120.686 120.200 -0.092 0.000 2.147 285 E HA -0.206 4.168 4.350 0.040 0.000 0.199 285 E C 0.323 176.596 176.600 -0.546 0.000 1.005 285 E CA 1.246 57.482 56.400 -0.273 0.000 0.810 285 E CB 0.079 29.477 29.700 -0.503 0.000 0.736 285 E HN 0.445 nan 8.360 nan 0.000 0.460 286 W N -0.713 120.490 121.300 -0.162 0.000 3.151 286 W HA 0.185 4.869 4.660 0.041 0.000 0.424 286 W C 0.449 176.955 176.519 -0.022 0.000 1.012 286 W CA -0.285 56.965 57.345 -0.158 0.000 2.018 286 W CB 0.231 29.548 29.460 -0.237 0.000 1.087 286 W HN 0.138 nan 8.180 nan 0.000 0.740 287 H N -0.544 118.631 119.070 0.175 0.000 2.581 287 H HA 0.089 4.668 4.556 0.040 0.000 0.275 287 H C 1.545 176.920 175.328 0.079 0.000 1.126 287 H CA -0.075 56.064 56.048 0.152 0.000 1.097 287 H CB 0.546 30.433 29.762 0.207 0.000 1.626 287 H HN 0.120 nan 8.280 nan 0.000 0.565 288 V N -2.080 117.903 119.914 0.114 0.000 3.477 288 V HA 0.263 4.407 4.120 0.040 0.000 0.297 288 V C 0.453 176.519 176.094 -0.046 0.000 1.433 288 V CA -0.255 62.049 62.300 0.008 0.000 1.052 288 V CB -0.065 31.716 31.823 -0.071 0.000 0.895 288 V HN 0.114 nan 8.190 nan 0.000 0.438 289 L N 2.508 123.727 121.223 -0.006 0.000 2.456 289 L HA 0.286 4.650 4.340 0.040 0.000 0.272 289 L C -0.456 176.415 176.870 0.002 0.000 1.189 289 L CA -0.997 53.835 54.840 -0.013 0.000 0.846 289 L CB 0.879 42.963 42.059 0.041 0.000 1.111 289 L HN 0.132 nan 8.230 nan 0.000 0.475 290 P HA -0.029 nan 4.420 nan 0.000 0.229 290 P C -0.123 177.179 177.300 0.003 0.000 1.160 290 P CA 0.739 63.834 63.100 -0.008 0.000 0.777 290 P CB 0.544 32.233 31.700 -0.019 0.000 0.814 291 Q N -0.869 118.936 119.800 0.009 0.000 2.416 291 Q HA 0.294 4.658 4.340 0.040 0.000 0.281 291 Q C -0.757 175.256 176.000 0.021 0.000 1.067 291 Q CA -0.619 55.191 55.803 0.012 0.000 0.809 291 Q CB 1.939 30.681 28.738 0.006 0.000 1.418 291 Q HN -0.078 nan 8.270 nan 0.000 0.411 292 E N 1.094 121.307 120.200 0.022 0.000 2.351 292 E HA 0.308 4.682 4.350 0.040 0.000 0.266 292 E C -0.953 175.657 176.600 0.016 0.000 1.031 292 E CA 0.207 56.622 56.400 0.026 0.000 0.911 292 E CB 0.347 30.062 29.700 0.026 0.000 0.986 292 E HN 0.619 nan 8.360 nan 0.000 0.446 293 S N 3.420 119.126 115.700 0.010 0.000 2.625 293 S HA 0.701 5.195 4.470 0.040 0.000 0.271 293 S C -0.456 174.131 174.600 -0.021 0.000 1.161 293 S CA -1.017 57.179 58.200 -0.007 0.000 0.820 293 S CB 1.053 64.240 63.200 -0.022 0.000 1.137 293 S HN 0.485 nan 8.310 nan 0.000 0.470 294 I N -2.935 117.619 120.570 -0.027 0.000 2.892 294 I HA 0.798 4.992 4.170 0.040 0.000 0.306 294 I C -0.359 175.688 176.117 -0.118 0.000 1.078 294 I CA -1.238 60.041 61.300 -0.034 0.000 1.032 294 I CB 1.259 39.303 38.000 0.073 0.000 1.229 294 I HN 0.764 nan 8.210 nan 0.000 0.435 295 F N 1.747 121.405 119.950 -0.486 0.000 3.091 295 F HA -0.182 4.369 4.527 0.039 0.000 0.288 295 F C -0.328 174.848 175.800 -1.041 0.000 0.907 295 F CA 0.654 58.090 58.000 -0.941 0.000 1.028 295 F CB -0.586 37.827 39.000 -0.978 0.000 1.022 295 F HN 0.603 nan 8.300 nan 0.000 0.665 296 R N 0.293 120.242 120.500 -0.918 0.000 2.673 296 R HA 0.669 5.033 4.340 0.040 0.000 0.281 296 R C -1.194 174.667 176.300 -0.732 0.000 0.991 296 R CA -0.603 55.050 56.100 -0.746 0.000 0.896 296 R CB 1.578 31.738 30.300 -0.235 0.000 1.201 296 R HN -0.015 nan 8.270 nan 0.000 0.457 297 F N -0.672 119.438 119.950 0.267 0.000 2.561 297 F HA 0.326 4.877 4.527 0.040 0.000 0.313 297 F C 1.386 177.206 175.800 0.033 0.000 1.126 297 F CA -0.809 57.379 58.000 0.313 0.000 0.918 297 F CB 2.029 41.295 39.000 0.444 0.000 1.199 297 F HN 0.362 nan 8.300 nan 0.000 0.444 298 S N 1.179 116.820 115.700 -0.098 0.000 2.368 298 S HA -0.021 4.473 4.470 0.040 0.000 0.225 298 S C -0.049 174.105 174.600 -0.743 0.000 1.030 298 S CA 1.272 59.160 58.200 -0.519 0.000 0.999 298 S CB -0.207 62.526 63.200 -0.778 0.000 0.844 298 S HN 0.370 nan 8.310 nan 0.000 0.459 299 F N 1.057 121.008 119.950 0.002 0.000 2.500 299 F HA 0.546 5.097 4.527 0.040 0.000 0.349 299 F C -0.196 175.624 175.800 0.033 0.000 1.127 299 F CA -0.969 57.062 58.000 0.052 0.000 0.998 299 F CB 1.559 40.609 39.000 0.083 0.000 1.237 299 F HN -0.129 nan 8.300 nan 0.000 0.439 300 V N 0.669 120.552 119.914 -0.052 0.000 3.181 300 V HA 0.767 4.911 4.120 0.040 0.000 0.308 300 V C -2.921 172.802 176.094 -0.618 0.000 1.214 300 V CA -3.275 58.654 62.300 -0.619 0.000 1.053 300 V CB 2.053 33.681 31.823 -0.324 0.000 1.069 300 V HN 0.264 nan 8.190 nan 0.000 0.441 301 P HA 0.146 nan 4.420 nan 0.000 0.264 301 P C -0.688 176.471 177.300 -0.234 0.000 1.179 301 P CA 0.463 63.288 63.100 -0.458 0.000 0.763 301 P CB 0.553 31.900 31.700 -0.588 0.000 0.806 302 V N 4.661 124.516 119.914 -0.098 0.000 2.628 302 V HA 0.235 4.379 4.120 0.040 0.000 0.306 302 V C -0.345 175.726 176.094 -0.038 0.000 1.045 302 V CA -0.918 61.348 62.300 -0.058 0.000 0.905 302 V CB 2.185 34.002 31.823 -0.010 0.000 0.997 302 V HN 0.139 nan 8.190 nan 0.000 0.436 303 V N 7.249 127.141 119.914 -0.036 0.000 2.341 303 V HA 0.160 4.304 4.120 0.040 0.000 0.248 303 V C 0.820 176.916 176.094 0.005 0.000 1.107 303 V CA 0.312 62.604 62.300 -0.013 0.000 1.069 303 V CB 0.091 31.900 31.823 -0.023 0.000 1.177 303 V HN 1.055 nan 8.190 nan 0.000 0.492 304 D N 2.669 123.085 120.400 0.028 0.000 2.350 304 D HA 0.104 4.768 4.640 0.040 0.000 0.213 304 D C 1.586 177.907 176.300 0.034 0.000 1.031 304 D CA 0.682 54.702 54.000 0.034 0.000 0.861 304 D CB 0.287 41.120 40.800 0.054 0.000 0.926 304 D HN 0.665 nan 8.370 nan 0.000 0.520 305 G N 0.645 109.465 108.800 0.034 0.000 2.155 305 G HA2 -0.333 3.651 3.960 0.040 0.000 0.257 305 G HA3 -0.333 3.651 3.960 0.040 0.000 0.257 305 G C 0.398 175.319 174.900 0.036 0.000 0.983 305 G CA 0.833 45.950 45.100 0.028 0.000 0.676 305 G HN 0.543 nan 8.290 nan 0.000 0.528 306 D N -1.672 118.767 120.400 0.064 0.000 3.028 306 D HA 0.237 4.901 4.640 0.040 0.000 0.205 306 D C 1.741 178.097 176.300 0.094 0.000 1.489 306 D CA 0.362 54.405 54.000 0.072 0.000 1.452 306 D CB -0.616 40.235 40.800 0.085 0.000 1.052 306 D HN 0.066 nan 8.370 nan 0.000 0.221 307 F N 1.189 121.144 119.950 0.009 0.000 2.091 307 F HA 0.122 4.673 4.527 0.040 0.000 0.299 307 F C 0.596 176.395 175.800 -0.003 0.000 1.103 307 F CA 1.284 59.288 58.000 0.007 0.000 1.228 307 F CB 0.099 39.100 39.000 0.002 0.000 0.984 307 F HN -0.008 nan 8.300 nan 0.000 0.477 308 L N 0.864 122.251 121.223 0.274 0.000 2.283 308 L HA 0.196 4.560 4.340 0.040 0.000 0.281 308 L C 1.386 178.297 176.870 0.069 0.000 1.033 308 L CA -0.184 54.745 54.840 0.148 0.000 0.848 308 L CB 1.190 43.325 42.059 0.128 0.000 1.226 308 L HN 0.075 nan 8.230 nan 0.000 0.429 309 S N 0.177 115.898 115.700 0.035 0.000 2.447 309 S HA -0.038 4.456 4.470 0.040 0.000 0.233 309 S C 0.515 175.123 174.600 0.013 0.000 1.006 309 S CA 0.599 58.809 58.200 0.017 0.000 0.957 309 S CB 0.142 63.341 63.200 -0.001 0.000 0.773 309 S HN 0.685 nan 8.310 nan 0.000 0.507 310 D N 0.189 120.598 120.400 0.015 0.000 2.752 310 D HA 0.330 4.994 4.640 0.040 0.000 0.313 310 D C -0.726 175.577 176.300 0.005 0.000 1.225 310 D CA -0.005 53.999 54.000 0.006 0.000 0.976 310 D CB 1.507 42.309 40.800 0.002 0.000 1.443 310 D HN 0.233 nan 8.370 nan 0.000 0.515 311 T N -1.052 113.499 114.554 -0.006 0.000 2.900 311 T HA 0.231 4.605 4.350 0.040 0.000 0.307 311 T C -1.806 172.886 174.700 -0.013 0.000 1.065 311 T CA -0.734 61.355 62.100 -0.019 0.000 1.105 311 T CB 1.030 69.880 68.868 -0.029 0.000 0.979 311 T HN 0.089 nan 8.240 nan 0.000 0.544 312 P HA -0.148 nan 4.420 nan 0.000 0.216 312 P C 1.521 178.813 177.300 -0.014 0.000 1.153 312 P CA 1.238 64.323 63.100 -0.025 0.000 0.858 312 P CB 0.061 31.716 31.700 -0.075 0.000 0.789 313 E N -0.302 119.880 120.200 -0.030 0.000 2.049 313 E HA -0.255 4.119 4.350 0.040 0.000 0.198 313 E C 1.954 178.559 176.600 0.008 0.000 1.007 313 E CA 1.566 57.956 56.400 -0.016 0.000 0.809 313 E CB -0.608 29.076 29.700 -0.027 0.000 0.749 313 E HN 0.069 nan 8.360 nan 0.000 0.450 314 A N 1.017 123.840 122.820 0.004 0.000 1.908 314 A HA -0.169 4.175 4.320 0.040 0.000 0.218 314 A C 2.254 179.855 177.584 0.029 0.000 1.181 314 A CA 1.382 53.426 52.037 0.011 0.000 0.627 314 A CB -0.645 18.356 19.000 0.002 0.000 0.818 314 A HN 0.340 nan 8.150 nan 0.000 0.445 315 L N -0.308 120.940 121.223 0.042 0.000 2.156 315 L HA -0.075 4.289 4.340 0.040 0.000 0.208 315 L C 2.507 179.472 176.870 0.157 0.000 1.095 315 L CA 1.284 56.168 54.840 0.074 0.000 0.770 315 L CB -0.483 41.623 42.059 0.078 0.000 0.914 315 L HN 0.682 nan 8.230 nan 0.000 0.439 316 I N -3.399 117.266 120.570 0.159 0.000 2.716 316 I HA -0.057 4.137 4.170 0.040 0.000 0.259 316 I C 1.847 178.092 176.117 0.213 0.000 1.172 316 I CA 0.987 62.436 61.300 0.248 0.000 1.478 316 I CB -0.316 37.743 38.000 0.098 0.000 1.104 316 I HN 0.122 nan 8.210 nan 0.000 0.439 317 N N 1.512 120.279 118.700 0.111 0.000 2.331 317 N HA -0.095 4.669 4.740 0.040 0.000 0.180 317 N C 1.801 177.347 175.510 0.061 0.000 1.019 317 N CA 2.042 55.139 53.050 0.078 0.000 0.881 317 N CB -0.222 38.290 38.487 0.042 0.000 0.972 317 N HN 0.670 nan 8.380 nan 0.000 0.435 318 T N -3.825 110.753 114.554 0.039 0.000 3.044 318 T HA 0.319 4.693 4.350 0.040 0.000 0.260 318 T C 0.947 175.593 174.700 -0.090 0.000 1.019 318 T CA -0.387 61.704 62.100 -0.015 0.000 0.921 318 T CB 0.074 68.929 68.868 -0.021 0.000 1.053 318 T HN 0.033 nan 8.240 nan 0.000 0.533 319 G N 0.793 109.511 108.800 -0.137 0.000 2.569 319 G HA2 0.423 4.407 3.960 0.040 0.000 0.249 319 G HA3 0.423 4.407 3.960 0.040 0.000 0.249 319 G C -1.141 173.327 174.900 -0.720 0.000 1.216 319 G CA -0.392 44.393 45.100 -0.525 0.000 0.845 319 G HN 0.288 nan 8.290 nan 0.000 0.568 320 D N 0.037 119.973 120.400 -0.773 0.000 2.349 320 D HA 0.395 5.059 4.640 0.040 0.000 0.232 320 D C -0.497 175.422 176.300 -0.635 0.000 1.071 320 D CA -0.664 53.020 54.000 -0.528 0.000 0.832 320 D CB 0.795 41.437 40.800 -0.262 0.000 1.086 320 D HN 0.088 nan 8.370 nan 0.000 0.504 321 F N 2.016 121.970 119.950 0.006 0.000 2.805 321 F HA 0.235 4.786 4.527 0.040 0.000 0.317 321 F C 1.955 177.761 175.800 0.011 0.000 1.146 321 F CA -0.388 57.620 58.000 0.012 0.000 1.265 321 F CB 0.197 39.212 39.000 0.026 0.000 0.992 321 F HN 0.384 nan 8.300 nan 0.000 0.511 322 Q N 1.132 120.991 119.800 0.099 0.000 2.124 322 Q HA -0.191 4.173 4.340 0.040 0.000 0.202 322 Q C 1.222 177.260 176.000 0.064 0.000 0.977 322 Q CA 2.004 57.849 55.803 0.069 0.000 0.850 322 Q CB 0.052 28.805 28.738 0.025 0.000 0.901 322 Q HN 0.430 nan 8.270 nan 0.000 0.429 323 D N -0.588 119.845 120.400 0.055 0.000 2.352 323 D HA 0.043 4.707 4.640 0.040 0.000 0.236 323 D C -0.409 175.923 176.300 0.054 0.000 1.148 323 D CA -0.072 53.951 54.000 0.038 0.000 0.844 323 D CB -0.010 40.796 40.800 0.009 0.000 0.933 323 D HN 0.104 nan 8.370 nan 0.000 0.507 324 L N 0.235 121.514 121.223 0.094 0.000 2.365 324 L HA 0.463 4.827 4.340 0.040 0.000 0.273 324 L C -1.212 175.729 176.870 0.118 0.000 1.000 324 L CA -0.528 54.378 54.840 0.110 0.000 0.819 324 L CB 2.154 44.309 42.059 0.160 0.000 1.284 324 L HN -0.218 nan 8.230 nan 0.000 0.418 325 Q N 3.211 123.093 119.800 0.136 0.000 2.322 325 Q HA 0.758 5.122 4.340 0.040 0.000 0.265 325 Q C -1.399 174.830 176.000 0.382 0.000 0.985 325 Q CA -0.423 55.511 55.803 0.219 0.000 0.849 325 Q CB 2.444 31.253 28.738 0.119 0.000 1.274 325 Q HN 0.480 nan 8.270 nan 0.000 0.449 326 V N 2.631 122.756 119.914 0.352 0.000 2.709 326 V HA 0.491 4.635 4.120 0.040 0.000 0.308 326 V C -1.339 174.744 176.094 -0.018 0.000 1.062 326 V CA -0.925 61.507 62.300 0.219 0.000 0.901 326 V CB 1.866 33.724 31.823 0.058 0.000 1.003 326 V HN 0.579 nan 8.190 nan 0.000 0.425 327 L N 6.567 127.569 121.223 -0.369 0.000 2.305 327 L HA 0.879 5.243 4.340 0.040 0.000 0.284 327 L C -0.418 176.336 176.870 -0.192 0.000 1.013 327 L CA -0.146 54.363 54.840 -0.552 0.000 0.819 327 L CB 1.575 42.820 42.059 -1.356 0.000 1.227 327 L HN 0.646 nan 8.230 nan 0.000 0.417 328 V N 2.056 121.929 119.914 -0.067 0.000 2.962 328 V HA 1.128 5.272 4.120 0.040 0.000 0.313 328 V C -0.195 175.703 176.094 -0.327 0.000 1.099 328 V CA 0.123 62.367 62.300 -0.094 0.000 0.971 328 V CB 1.227 32.959 31.823 -0.153 0.000 1.028 328 V HN 1.040 nan 8.190 nan 0.000 0.430 329 G N 0.735 109.201 108.800 -0.555 0.000 2.495 329 G HA2 0.780 4.764 3.960 0.040 0.000 0.294 329 G HA3 0.780 4.764 3.960 0.040 0.000 0.294 329 G C -1.230 173.356 174.900 -0.523 0.000 1.397 329 G CA 0.038 44.398 45.100 -1.234 0.000 0.790 329 G HN 2.074 nan 8.290 nan 0.000 0.486 330 V N -2.216 117.499 119.914 -0.332 0.000 3.130 330 V HA 0.919 5.063 4.120 0.040 0.000 0.310 330 V C 0.281 176.532 176.094 0.263 0.000 1.158 330 V CA -0.444 61.878 62.300 0.037 0.000 1.029 330 V CB 1.173 33.007 31.823 0.019 0.000 1.057 330 V HN 1.800 nan 8.190 nan 0.000 0.436 331 V N 0.039 120.134 119.914 0.302 0.000 3.109 331 V HA 0.570 4.714 4.120 0.040 0.000 0.317 331 V C 1.332 177.605 176.094 0.298 0.000 1.074 331 V CA -0.010 62.522 62.300 0.388 0.000 1.033 331 V CB 1.257 33.299 31.823 0.366 0.000 1.111 331 V HN 1.094 nan 8.190 nan 0.000 0.458 332 K N -0.377 120.199 120.400 0.293 0.000 2.288 332 K HA -0.006 4.338 4.320 0.040 0.000 0.201 332 K C 0.147 176.864 176.600 0.195 0.000 1.048 332 K CA 1.460 57.876 56.287 0.216 0.000 0.956 332 K CB 0.134 32.742 32.500 0.179 0.000 0.746 332 K HN 0.901 nan 8.250 nan 0.000 0.461 333 D N 1.028 121.553 120.400 0.208 0.000 2.739 333 D HA 0.027 4.691 4.640 0.040 0.000 0.335 333 D C 0.044 176.477 176.300 0.222 0.000 1.216 333 D CA -0.101 54.014 54.000 0.192 0.000 0.808 333 D CB 1.249 42.141 40.800 0.154 0.000 1.121 333 D HN 0.104 nan 8.370 nan 0.000 0.499 334 E N 0.498 120.842 120.200 0.240 0.000 2.130 334 E HA -0.135 4.239 4.350 0.040 0.000 0.196 334 E C 1.872 178.673 176.600 0.334 0.000 0.998 334 E CA 0.903 57.485 56.400 0.303 0.000 0.806 334 E CB 0.181 30.033 29.700 0.253 0.000 0.738 334 E HN 0.428 nan 8.360 nan 0.000 0.459 335 G N 0.721 109.682 108.800 0.269 0.000 2.838 335 G HA2 -0.112 3.872 3.960 0.040 0.000 0.210 335 G HA3 -0.112 3.872 3.960 0.040 0.000 0.210 335 G C 1.669 176.750 174.900 0.301 0.000 1.153 335 G CA 0.671 45.955 45.100 0.308 0.000 0.778 335 G HN 0.338 nan 8.290 nan 0.000 0.539 336 S N 0.299 116.133 115.700 0.223 0.000 2.353 336 S HA -0.264 4.230 4.470 0.040 0.000 0.222 336 S C 2.102 176.739 174.600 0.061 0.000 1.035 336 S CA 1.362 59.660 58.200 0.163 0.000 1.025 336 S CB -0.887 62.333 63.200 0.033 0.000 0.902 336 S HN 0.412 nan 8.310 nan 0.000 0.440 337 Y N 1.739 121.915 120.300 -0.206 0.000 2.139 337 Y HA -0.227 4.346 4.550 0.039 0.000 0.282 337 Y C 1.836 177.565 175.900 -0.285 0.000 1.179 337 Y CA 2.024 59.849 58.100 -0.459 0.000 1.161 337 Y CB -0.560 37.543 38.460 -0.596 0.000 0.970 337 Y HN 0.292 nan 8.280 nan 0.000 0.511 338 F N -0.694 119.366 119.950 0.183 0.000 2.407 338 F HA -0.120 4.430 4.527 0.039 0.000 0.299 338 F C 1.947 177.816 175.800 0.116 0.000 1.097 338 F CA 0.717 58.806 58.000 0.149 0.000 1.422 338 F CB -0.353 38.666 39.000 0.031 0.000 1.067 338 F HN 0.019 nan 8.300 nan 0.000 0.539 339 L N -0.112 121.210 121.223 0.164 0.000 2.141 339 L HA -0.144 4.220 4.340 0.040 0.000 0.209 339 L C 2.437 179.356 176.870 0.081 0.000 1.094 339 L CA 0.979 55.788 54.840 -0.051 0.000 0.763 339 L CB -0.911 40.826 42.059 -0.536 0.000 0.908 339 L HN 0.166 nan 8.230 nan 0.000 0.437 340 V N -4.537 115.477 119.914 0.166 0.000 3.141 340 V HA -0.202 3.942 4.120 0.040 0.000 0.265 340 V C 1.506 177.573 176.094 -0.044 0.000 1.126 340 V CA 0.998 63.386 62.300 0.146 0.000 1.141 340 V CB -1.150 30.786 31.823 0.189 0.000 0.743 340 V HN 0.322 nan 8.190 nan 0.000 0.492 341 Y N 1.680 121.997 120.300 0.030 0.000 2.495 341 Y HA 0.602 5.176 4.550 0.039 0.000 0.293 341 Y C 1.773 177.668 175.900 -0.009 0.000 1.186 341 Y CA 0.469 58.560 58.100 -0.015 0.000 1.266 341 Y CB 0.561 39.009 38.460 -0.020 0.000 1.101 341 Y HN 0.445 nan 8.280 nan 0.000 0.517 342 G N -1.375 107.500 108.800 0.126 0.000 4.226 342 G HA2 -0.070 3.914 3.960 0.040 0.000 0.220 342 G HA3 -0.070 3.914 3.960 0.040 0.000 0.220 342 G C -0.790 174.167 174.900 0.095 0.000 0.817 342 G CA -0.472 44.682 45.100 0.091 0.000 0.879 342 G HN -0.052 nan 8.290 nan 0.000 0.669 343 V N 2.933 122.920 119.914 0.122 0.000 2.385 343 V HA 0.402 4.546 4.120 0.040 0.000 0.269 343 V C -1.939 174.316 176.094 0.268 0.000 1.043 343 V CA -1.627 60.773 62.300 0.166 0.000 0.906 343 V CB 1.220 33.100 31.823 0.097 0.000 0.995 343 V HN 0.057 nan 8.190 nan 0.000 0.467 344 P HA 0.245 nan 4.420 nan 0.000 0.264 344 P C 0.984 178.371 177.300 0.145 0.000 1.193 344 P CA 1.188 64.370 63.100 0.138 0.000 0.763 344 P CB 0.626 32.376 31.700 0.082 0.000 0.810 345 G N 1.239 110.065 108.800 0.043 0.000 2.201 345 G HA2 -0.199 3.784 3.960 0.040 0.000 0.212 345 G HA3 -0.199 3.784 3.960 0.040 0.000 0.212 345 G C -0.248 174.437 174.900 -0.358 0.000 0.994 345 G CA -0.631 44.369 45.100 -0.167 0.000 0.644 345 G HN 0.398 nan 8.290 nan 0.000 0.508 346 F N 1.442 121.379 119.950 -0.021 0.000 2.458 346 F HA 0.797 5.347 4.527 0.039 0.000 0.336 346 F C 0.493 176.349 175.800 0.094 0.000 1.114 346 F CA -0.199 57.796 58.000 -0.009 0.000 0.987 346 F CB 2.377 41.410 39.000 0.055 0.000 1.130 346 F HN 0.173 nan 8.300 nan 0.000 0.458 347 S N 1.803 117.691 115.700 0.312 0.000 2.547 347 S HA 0.285 4.779 4.470 0.040 0.000 0.270 347 S C 0.271 175.134 174.600 0.439 0.000 1.150 347 S CA -0.861 57.534 58.200 0.325 0.000 0.850 347 S CB 1.379 64.678 63.200 0.165 0.000 1.118 347 S HN 0.752 nan 8.310 nan 0.000 0.461 348 K N 1.310 121.888 120.400 0.296 0.000 2.288 348 K HA 0.083 4.427 4.320 0.040 0.000 0.201 348 K C 0.232 176.853 176.600 0.035 0.000 1.048 348 K CA 1.317 57.693 56.287 0.147 0.000 0.956 348 K CB -0.152 32.182 32.500 -0.277 0.000 0.746 348 K HN 0.443 nan 8.250 nan 0.000 0.461 349 D N 1.005 121.394 120.400 -0.019 0.000 2.340 349 D HA -0.001 4.663 4.640 0.040 0.000 0.220 349 D C -0.323 175.986 176.300 0.015 0.000 1.039 349 D CA 0.415 54.380 54.000 -0.059 0.000 0.866 349 D CB -0.023 40.721 40.800 -0.092 0.000 0.913 349 D HN 0.531 nan 8.370 nan 0.000 0.523 350 N N -1.656 117.093 118.700 0.082 0.000 2.934 350 N HA 0.090 4.853 4.740 0.040 0.000 0.253 350 N C 0.023 175.570 175.510 0.062 0.000 1.466 350 N CA -0.649 52.429 53.050 0.047 0.000 0.858 350 N CB 0.813 39.286 38.487 -0.024 0.000 1.459 350 N HN -0.367 nan 8.380 nan 0.000 0.532 351 E N -0.439 119.742 120.200 -0.032 0.000 2.472 351 E HA -0.011 4.363 4.350 0.040 0.000 0.200 351 E C -0.499 175.771 176.600 -0.549 0.000 1.046 351 E CA 0.608 56.927 56.400 -0.134 0.000 0.871 351 E CB -0.288 29.369 29.700 -0.071 0.000 0.806 351 E HN 0.562 nan 8.360 nan 0.000 0.533 352 S N 0.275 115.650 115.700 -0.541 0.000 3.682 352 S HA -0.169 4.325 4.470 0.040 0.000 0.354 352 S C -0.277 173.880 174.600 -0.738 0.000 1.034 352 S CA -0.021 57.702 58.200 -0.795 0.000 1.084 352 S CB -0.872 61.550 63.200 -1.296 0.000 0.903 352 S HN 0.150 nan 8.310 nan 0.000 0.470 353 L N 2.074 123.024 121.223 -0.455 0.000 2.385 353 L HA 0.464 4.828 4.340 0.040 0.000 0.281 353 L C 0.574 177.252 176.870 -0.319 0.000 1.106 353 L CA 0.275 54.916 54.840 -0.332 0.000 0.856 353 L CB -0.186 41.748 42.059 -0.209 0.000 1.186 353 L HN 0.487 nan 8.230 nan 0.000 0.453 354 I N 0.042 120.422 120.570 -0.318 0.000 2.822 354 I HA 0.740 4.934 4.170 0.040 0.000 0.312 354 I C 0.647 176.697 176.117 -0.111 0.000 1.011 354 I CA -0.700 60.455 61.300 -0.242 0.000 1.105 354 I CB 1.773 39.611 38.000 -0.269 0.000 1.291 354 I HN 0.558 nan 8.210 nan 0.000 0.474 355 S N 2.553 118.218 115.700 -0.058 0.000 2.645 355 S HA 0.345 4.839 4.470 0.040 0.000 0.266 355 S C 0.967 175.597 174.600 0.051 0.000 1.258 355 S CA -0.450 57.744 58.200 -0.011 0.000 0.990 355 S CB 1.478 64.677 63.200 -0.003 0.000 0.967 355 S HN 0.874 nan 8.310 nan 0.000 0.556 356 R N 0.517 121.052 120.500 0.059 0.000 2.081 356 R HA -0.078 4.286 4.340 0.040 0.000 0.235 356 R C 2.375 178.771 176.300 0.160 0.000 1.131 356 R CA 1.640 57.818 56.100 0.129 0.000 0.960 356 R CB -1.175 29.176 30.300 0.085 0.000 0.856 356 R HN 0.834 nan 8.270 nan 0.000 0.436 357 A N 0.472 123.348 122.820 0.093 0.000 1.908 357 A HA -0.236 4.108 4.320 0.040 0.000 0.218 357 A C 2.071 179.703 177.584 0.080 0.000 1.181 357 A CA 1.681 53.761 52.037 0.072 0.000 0.627 357 A CB -0.558 18.469 19.000 0.045 0.000 0.818 357 A HN 0.532 nan 8.150 nan 0.000 0.445 358 Q N -2.029 117.826 119.800 0.091 0.000 2.224 358 Q HA -0.101 4.263 4.340 0.040 0.000 0.203 358 Q C 1.789 177.902 176.000 0.189 0.000 0.970 358 Q CA 1.429 57.296 55.803 0.107 0.000 0.865 358 Q CB -0.237 28.540 28.738 0.064 0.000 0.922 358 Q HN 0.830 nan 8.270 nan 0.000 0.445 359 F N 0.519 120.504 119.950 0.059 0.000 2.163 359 F HA -0.136 4.418 4.527 0.046 0.000 0.297 359 F C 1.587 177.428 175.800 0.068 0.000 1.094 359 F CA 0.828 58.875 58.000 0.078 0.000 1.290 359 F CB 0.143 39.175 39.000 0.053 0.000 1.017 359 F HN -0.046 nan 8.300 nan 0.000 0.483 360 L N 0.357 121.492 121.223 -0.146 0.000 2.046 360 L HA -0.173 4.191 4.340 0.040 0.000 0.208 360 L C 2.848 179.633 176.870 -0.142 0.000 1.077 360 L CA 1.212 55.918 54.840 -0.224 0.000 0.747 360 L CB -1.567 40.452 42.059 -0.066 0.000 0.896 360 L HN 0.250 nan 8.230 nan 0.000 0.432 361 A N 0.681 123.474 122.820 -0.045 0.000 1.930 361 A HA -0.048 4.296 4.320 0.040 0.000 0.217 361 A C 2.435 180.015 177.584 -0.007 0.000 1.175 361 A CA 1.493 53.524 52.037 -0.011 0.000 0.627 361 A CB -1.120 17.895 19.000 0.024 0.000 0.815 361 A HN 0.429 nan 8.150 nan 0.000 0.443 362 G N -0.475 108.333 108.800 0.013 0.000 2.422 362 G HA2 -0.120 3.864 3.960 0.040 0.000 0.218 362 G HA3 -0.120 3.864 3.960 0.040 0.000 0.218 362 G C 1.484 176.360 174.900 -0.041 0.000 1.146 362 G CA 1.204 46.327 45.100 0.039 0.000 0.769 362 G HN 0.302 nan 8.290 nan 0.000 0.547 363 V N 1.102 120.921 119.914 -0.159 0.000 2.407 363 V HA -0.143 4.001 4.120 0.040 0.000 0.248 363 V C 2.948 178.996 176.094 -0.077 0.000 1.055 363 V CA 1.646 63.846 62.300 -0.167 0.000 1.049 363 V CB -0.371 31.261 31.823 -0.319 0.000 0.662 363 V HN 0.251 nan 8.190 nan 0.000 0.455 364 R N -0.181 120.281 120.500 -0.062 0.000 2.152 364 R HA 0.016 4.380 4.340 0.040 0.000 0.232 364 R C 1.956 178.249 176.300 -0.011 0.000 1.117 364 R CA 1.311 57.393 56.100 -0.029 0.000 0.981 364 R CB -0.674 29.614 30.300 -0.020 0.000 0.870 364 R HN 0.490 nan 8.270 nan 0.000 0.451 365 I N -0.836 119.730 120.570 -0.007 0.000 2.867 365 I HA 0.013 4.207 4.170 0.040 0.000 0.265 365 I C 2.214 178.335 176.117 0.008 0.000 1.162 365 I CA 0.912 62.216 61.300 0.007 0.000 1.471 365 I CB -0.320 37.692 38.000 0.020 0.000 1.123 365 I HN 0.138 nan 8.210 nan 0.000 0.440 366 G N 0.668 109.469 108.800 0.002 0.000 2.464 366 G HA2 -0.024 3.960 3.960 0.040 0.000 0.217 366 G HA3 -0.024 3.960 3.960 0.040 0.000 0.217 366 G C 0.868 175.785 174.900 0.029 0.000 1.138 366 G CA 0.414 45.521 45.100 0.011 0.000 0.793 366 G HN 0.223 nan 8.290 nan 0.000 0.539 367 V N 2.054 121.968 119.914 -0.000 0.000 2.326 367 V HA 0.221 4.365 4.120 0.040 0.000 0.254 367 V C -1.461 174.636 176.094 0.006 0.000 1.022 367 V CA -1.128 61.152 62.300 -0.033 0.000 1.074 367 V CB 1.394 33.168 31.823 -0.082 0.000 1.305 367 V HN 0.077 nan 8.190 nan 0.000 0.506 368 P HA -0.181 nan 4.420 nan 0.000 0.222 368 P C 1.363 178.674 177.300 0.018 0.000 1.147 368 P CA 1.118 64.229 63.100 0.018 0.000 0.790 368 P CB 0.392 32.101 31.700 0.016 0.000 0.780 369 Q N -0.046 119.774 119.800 0.034 0.000 2.425 369 Q HA 0.111 4.475 4.340 0.040 0.000 0.204 369 Q C 0.646 176.653 176.000 0.011 0.000 0.933 369 Q CA 0.197 56.015 55.803 0.025 0.000 0.939 369 Q CB -0.613 28.151 28.738 0.043 0.000 1.044 369 Q HN 0.038 nan 8.270 nan 0.000 0.513 370 A N 2.259 125.083 122.820 0.006 0.000 2.450 370 A HA 0.381 4.725 4.320 0.040 0.000 0.255 370 A C 0.451 178.030 177.584 -0.008 0.000 1.096 370 A CA 0.071 52.104 52.037 -0.006 0.000 0.778 370 A CB 0.247 19.241 19.000 -0.009 0.000 1.031 370 A HN 0.515 nan 8.150 nan 0.000 0.494 371 S N 2.129 117.821 115.700 -0.014 0.000 2.596 371 S HA 0.114 4.608 4.470 0.040 0.000 0.260 371 S C 0.444 175.042 174.600 -0.003 0.000 1.336 371 S CA 0.173 58.366 58.200 -0.011 0.000 0.993 371 S CB 0.410 63.599 63.200 -0.018 0.000 0.923 371 S HN 0.633 nan 8.310 nan 0.000 0.567 372 D N 0.290 120.691 120.400 0.001 0.000 2.133 372 D HA -0.128 4.536 4.640 0.040 0.000 0.192 372 D C 1.720 178.032 176.300 0.019 0.000 1.001 372 D CA 1.322 55.327 54.000 0.008 0.000 0.844 372 D CB -0.441 40.365 40.800 0.009 0.000 0.944 372 D HN 0.442 nan 8.370 nan 0.000 0.447 373 L N 0.472 121.707 121.223 0.020 0.000 2.046 373 L HA -0.032 4.332 4.340 0.040 0.000 0.208 373 L C 2.025 178.928 176.870 0.055 0.000 1.077 373 L CA 1.841 56.703 54.840 0.037 0.000 0.747 373 L CB -0.868 41.208 42.059 0.029 0.000 0.896 373 L HN 0.012 nan 8.230 nan 0.000 0.432 374 A N -0.547 122.289 122.820 0.026 0.000 1.933 374 A HA -0.057 4.286 4.320 0.040 0.000 0.218 374 A C 2.450 180.067 177.584 0.056 0.000 1.175 374 A CA 1.682 53.734 52.037 0.024 0.000 0.628 374 A CB -1.098 17.880 19.000 -0.038 0.000 0.814 374 A HN 0.573 nan 8.150 nan 0.000 0.444 375 A N -0.235 122.605 122.820 0.033 0.000 1.877 375 A HA -0.185 4.159 4.320 0.040 0.000 0.216 375 A C 1.935 179.548 177.584 0.048 0.000 1.186 375 A CA 1.727 53.778 52.037 0.024 0.000 0.620 375 A CB -0.565 18.433 19.000 -0.004 0.000 0.822 375 A HN 0.611 nan 8.150 nan 0.000 0.443 376 E N -0.423 119.815 120.200 0.064 0.000 2.110 376 E HA -0.124 4.250 4.350 0.040 0.000 0.193 376 E C 2.293 178.977 176.600 0.140 0.000 0.988 376 E CA 0.936 57.391 56.400 0.092 0.000 0.804 376 E CB -0.272 29.479 29.700 0.085 0.000 0.745 376 E HN 0.622 nan 8.360 nan 0.000 0.458 377 A N 0.604 123.527 122.820 0.172 0.000 1.908 377 A HA -0.170 4.174 4.320 0.040 0.000 0.218 377 A C 2.444 180.158 177.584 0.218 0.000 1.181 377 A CA 1.273 53.459 52.037 0.248 0.000 0.627 377 A CB -0.616 18.627 19.000 0.405 0.000 0.818 377 A HN 0.137 nan 8.150 nan 0.000 0.445 378 V N -0.505 119.553 119.914 0.240 0.000 2.307 378 V HA -0.218 3.926 4.120 0.040 0.000 0.245 378 V C 2.583 178.842 176.094 0.276 0.000 1.045 378 V CA 1.931 64.362 62.300 0.219 0.000 1.024 378 V CB -0.727 31.202 31.823 0.175 0.000 0.651 378 V HN 0.373 nan 8.190 nan 0.000 0.449 379 V N -0.051 119.971 119.914 0.180 0.000 2.332 379 V HA -0.269 3.875 4.120 0.040 0.000 0.248 379 V C 2.272 178.576 176.094 0.350 0.000 1.055 379 V CA 2.063 64.499 62.300 0.226 0.000 1.038 379 V CB -0.553 31.322 31.823 0.086 0.000 0.651 379 V HN 0.458 nan 8.190 nan 0.000 0.450 380 L N -0.767 120.640 121.223 0.307 0.000 2.156 380 L HA -0.153 4.211 4.340 0.040 0.000 0.208 380 L C 2.503 179.571 176.870 0.330 0.000 1.095 380 L CA 1.666 56.754 54.840 0.413 0.000 0.770 380 L CB -0.698 41.533 42.059 0.288 0.000 0.914 380 L HN 0.448 nan 8.230 nan 0.000 0.439 381 H N -1.052 118.023 119.070 0.009 0.000 2.436 381 H HA -0.123 4.459 4.556 0.043 0.000 0.294 381 H C 1.706 176.911 175.328 -0.204 0.000 1.048 381 H CA 1.623 57.521 56.048 -0.251 0.000 1.353 381 H CB 0.154 29.425 29.762 -0.817 0.000 1.414 381 H HN 0.236 nan 8.280 nan 0.000 0.536 382 Y N -0.195 120.122 120.300 0.029 0.000 2.497 382 Y HA 0.158 4.731 4.550 0.039 0.000 0.265 382 Y C 0.798 176.644 175.900 -0.090 0.000 1.111 382 Y CA 0.282 58.403 58.100 0.036 0.000 1.288 382 Y CB 0.308 38.938 38.460 0.283 0.000 1.082 382 Y HN 0.011 nan 8.280 nan 0.000 0.536 383 T N 1.796 116.338 114.554 -0.019 0.000 2.928 383 T HA -0.091 4.283 4.350 0.040 0.000 0.305 383 T C -0.158 174.202 174.700 -0.568 0.000 1.035 383 T CA -0.008 61.818 62.100 -0.458 0.000 1.145 383 T CB 0.185 68.516 68.868 -0.895 0.000 0.963 383 T HN 0.089 nan 8.240 nan 0.000 0.545 384 D N 2.099 122.195 120.400 -0.508 0.000 2.365 384 D HA 0.080 4.744 4.640 0.040 0.000 0.237 384 D C 0.041 176.052 176.300 -0.481 0.000 1.190 384 D CA -0.557 53.218 54.000 -0.376 0.000 0.867 384 D CB 0.471 41.108 40.800 -0.271 0.000 1.050 384 D HN 0.625 nan 8.370 nan 0.000 0.491 385 W N 3.330 124.555 121.300 -0.124 0.000 2.825 385 W HA -0.035 4.647 4.660 0.037 0.000 0.243 385 W C 1.818 178.228 176.519 -0.182 0.000 1.293 385 W CA -0.503 56.768 57.345 -0.123 0.000 1.403 385 W CB 0.247 29.650 29.460 -0.094 0.000 1.134 385 W HN 0.407 nan 8.180 nan 0.000 0.666 386 L N -0.689 120.440 121.223 -0.156 0.000 2.131 386 L HA -0.043 4.321 4.340 0.040 0.000 0.206 386 L C 0.820 177.282 176.870 -0.680 0.000 1.087 386 L CA 1.711 56.297 54.840 -0.425 0.000 0.767 386 L CB -1.158 40.550 42.059 -0.585 0.000 0.917 386 L HN 0.142 nan 8.230 nan 0.000 0.441 387 H N -0.521 118.396 119.070 -0.254 0.000 2.471 387 H HA 0.247 4.810 4.556 0.010 0.000 0.234 387 H C -1.559 173.573 175.328 -0.327 0.000 1.388 387 H CA -1.404 54.459 56.048 -0.307 0.000 1.198 387 H CB 0.550 29.995 29.762 -0.528 0.000 1.714 387 H HN 0.160 nan 8.280 nan 0.000 0.536 388 P HA -0.111 nan 4.420 nan 0.000 0.222 388 P C 0.707 177.879 177.300 -0.213 0.000 1.147 388 P CA 1.165 64.065 63.100 -0.333 0.000 0.790 388 P CB 0.560 32.108 31.700 -0.253 0.000 0.780 389 E N -0.783 119.352 120.200 -0.107 0.000 2.562 389 E HA 0.056 4.430 4.350 0.040 0.000 0.214 389 E C -0.118 176.455 176.600 -0.044 0.000 0.979 389 E CA -0.250 56.112 56.400 -0.062 0.000 1.002 389 E CB 0.093 29.779 29.700 -0.023 0.000 1.048 389 E HN 0.201 nan 8.360 nan 0.000 0.488 390 D N 2.382 122.762 120.400 -0.032 0.000 2.382 390 D HA 0.004 4.668 4.640 0.040 0.000 0.259 390 D C -1.635 174.662 176.300 -0.005 0.000 1.224 390 D CA -1.694 52.315 54.000 0.014 0.000 0.894 390 D CB 1.291 42.149 40.800 0.097 0.000 1.127 390 D HN -0.189 nan 8.370 nan 0.000 0.487 391 P HA -0.141 nan 4.420 nan 0.000 0.216 391 P C 1.122 178.363 177.300 -0.099 0.000 1.150 391 P CA 1.174 64.224 63.100 -0.082 0.000 0.837 391 P CB 0.146 31.788 31.700 -0.096 0.000 0.786 392 T N -1.735 112.768 114.554 -0.085 0.000 2.746 392 T HA -0.186 4.187 4.350 0.040 0.000 0.267 392 T C 1.525 176.137 174.700 -0.146 0.000 1.039 392 T CA 1.662 63.685 62.100 -0.128 0.000 1.142 392 T CB -1.120 67.650 68.868 -0.164 0.000 0.866 392 T HN 0.288 nan 8.240 nan 0.000 0.444 393 H N 0.592 119.593 119.070 -0.116 0.000 2.353 393 H HA 0.129 4.703 4.556 0.029 0.000 0.300 393 H C 2.153 177.368 175.328 -0.189 0.000 1.090 393 H CA 1.044 57.016 56.048 -0.127 0.000 1.327 393 H CB -0.355 29.326 29.762 -0.135 0.000 1.383 393 H HN 0.195 nan 8.280 nan 0.000 0.508 394 L N -0.101 121.048 121.223 -0.122 0.000 2.056 394 L HA -0.146 4.218 4.340 0.040 0.000 0.207 394 L C 2.680 179.463 176.870 -0.145 0.000 1.078 394 L CA 1.132 55.782 54.840 -0.317 0.000 0.749 394 L CB -0.295 41.612 42.059 -0.254 0.000 0.901 394 L HN 0.215 nan 8.230 nan 0.000 0.433 395 R N 0.412 120.886 120.500 -0.042 0.000 2.070 395 R HA -0.192 4.172 4.340 0.040 0.000 0.232 395 R C 1.852 178.257 176.300 0.175 0.000 1.138 395 R CA 2.158 58.319 56.100 0.102 0.000 0.936 395 R CB -0.243 30.006 30.300 -0.086 0.000 0.839 395 R HN 0.288 nan 8.270 nan 0.000 0.429 396 D N 0.214 120.667 120.400 0.090 0.000 2.178 396 D HA -0.122 4.542 4.640 0.040 0.000 0.201 396 D C 1.647 178.032 176.300 0.142 0.000 0.980 396 D CA 1.418 55.497 54.000 0.131 0.000 0.842 396 D CB -0.170 40.668 40.800 0.063 0.000 0.948 396 D HN 0.431 nan 8.370 nan 0.000 0.472 397 A N 0.405 123.272 122.820 0.078 0.000 1.929 397 A HA -0.100 4.244 4.320 0.040 0.000 0.216 397 A C 2.106 179.787 177.584 0.161 0.000 1.176 397 A CA 1.175 53.284 52.037 0.121 0.000 0.628 397 A CB -0.389 18.579 19.000 -0.054 0.000 0.816 397 A HN 0.127 nan 8.150 nan 0.000 0.444 398 M N 0.033 119.763 119.600 0.216 0.000 2.086 398 M HA -0.103 4.401 4.480 0.040 0.000 0.261 398 M C 2.305 178.670 176.300 0.108 0.000 1.067 398 M CA 2.171 57.635 55.300 0.272 0.000 1.116 398 M CB -0.634 32.180 32.600 0.358 0.000 1.348 398 M HN 0.399 nan 8.290 nan 0.000 0.407 399 S N -0.249 115.531 115.700 0.133 0.000 2.353 399 S HA -0.153 4.341 4.470 0.040 0.000 0.222 399 S C 2.086 176.766 174.600 0.133 0.000 1.035 399 S CA 1.851 60.140 58.200 0.147 0.000 1.025 399 S CB -0.762 62.585 63.200 0.244 0.000 0.902 399 S HN 0.646 nan 8.310 nan 0.000 0.440 400 A N 0.871 123.785 122.820 0.157 0.000 1.917 400 A HA -0.056 4.288 4.320 0.040 0.000 0.219 400 A C 2.394 180.027 177.584 0.081 0.000 1.182 400 A CA 1.991 54.145 52.037 0.195 0.000 0.633 400 A CB -1.253 17.954 19.000 0.345 0.000 0.819 400 A HN 0.480 nan 8.150 nan 0.000 0.448 401 V N -0.485 119.330 119.914 -0.166 0.000 2.255 401 V HA -0.269 3.875 4.120 0.040 0.000 0.247 401 V C 2.592 178.639 176.094 -0.078 0.000 1.051 401 V CA 2.200 64.338 62.300 -0.271 0.000 1.018 401 V CB -0.772 30.901 31.823 -0.249 0.000 0.641 401 V HN 0.397 nan 8.190 nan 0.000 0.445 402 V N 0.578 120.467 119.914 -0.041 0.000 2.307 402 V HA -0.151 3.993 4.120 0.040 0.000 0.245 402 V C 2.613 178.629 176.094 -0.130 0.000 1.045 402 V CA 2.139 64.403 62.300 -0.060 0.000 1.024 402 V CB -1.354 30.483 31.823 0.022 0.000 0.651 402 V HN 0.618 nan 8.190 nan 0.000 0.449 403 G N -0.278 108.511 108.800 -0.019 0.000 2.418 403 G HA2 -0.240 3.744 3.960 0.040 0.000 0.217 403 G HA3 -0.240 3.744 3.960 0.040 0.000 0.217 403 G C 1.221 176.063 174.900 -0.097 0.000 1.158 403 G CA 1.077 46.172 45.100 -0.009 0.000 0.771 403 G HN 0.511 nan 8.290 nan 0.000 0.545 404 D N -0.336 120.019 120.400 -0.075 0.000 2.103 404 D HA -0.063 4.601 4.640 0.040 0.000 0.199 404 D C 2.107 178.093 176.300 -0.523 0.000 0.978 404 D CA 1.161 55.078 54.000 -0.138 0.000 0.829 404 D CB -0.500 40.398 40.800 0.164 0.000 0.981 404 D HN 0.393 nan 8.370 nan 0.000 0.464 405 H N 0.764 119.267 119.070 -0.946 0.000 2.387 405 H HA 0.023 4.602 4.556 0.040 0.000 0.299 405 H C 1.420 176.338 175.328 -0.683 0.000 1.090 405 H CA 1.581 56.862 56.048 -1.279 0.000 1.332 405 H CB 0.123 29.133 29.762 -1.253 0.000 1.386 405 H HN -0.002 nan 8.280 nan 0.000 0.516 406 N N -1.031 117.237 118.700 -0.720 0.000 2.454 406 N HA 0.024 4.788 4.740 0.040 0.000 0.177 406 N C 1.270 176.558 175.510 -0.370 0.000 1.049 406 N CA 1.044 53.619 53.050 -0.792 0.000 0.887 406 N CB 1.080 38.529 38.487 -1.730 0.000 1.095 406 N HN 0.259 nan 8.380 nan 0.000 0.446 407 V N -0.253 119.494 119.914 -0.277 0.000 3.134 407 V HA 0.074 4.218 4.120 0.040 0.000 0.222 407 V C 2.188 178.246 176.094 -0.059 0.000 1.247 407 V CA 0.234 62.502 62.300 -0.053 0.000 1.281 407 V CB -0.117 31.746 31.823 0.065 0.000 1.169 407 V HN -0.171 nan 8.190 nan 0.000 0.512 408 V N 0.108 119.984 119.914 -0.063 0.000 2.295 408 V HA -0.289 3.855 4.120 0.040 0.000 0.246 408 V C 2.490 178.549 176.094 -0.058 0.000 1.049 408 V CA 2.586 64.860 62.300 -0.043 0.000 1.024 408 V CB -0.760 31.067 31.823 0.007 0.000 0.648 408 V HN 0.664 nan 8.190 nan 0.000 0.447 409 c N -0.643 117.909 118.600 -0.079 0.000 2.486 409 c HA 0.036 4.630 4.570 0.040 0.000 0.279 409 c C 0.590 174.647 174.090 -0.055 0.000 1.302 409 c CA 0.702 57.013 56.329 -0.030 0.000 1.720 409 c CB -1.791 40.730 42.510 0.019 0.000 2.030 409 c HN 0.443 nan 8.230 nan 0.000 0.490 410 P HA -0.122 nan 4.420 nan 0.000 0.216 410 P C 1.758 179.000 177.300 -0.097 0.000 1.157 410 P CA 1.603 64.634 63.100 -0.115 0.000 0.880 410 P CB -0.188 31.421 31.700 -0.151 0.000 0.791 411 V N -0.157 119.701 119.914 -0.092 0.000 2.343 411 V HA -0.266 3.878 4.120 0.040 0.000 0.247 411 V C 2.457 178.460 176.094 -0.152 0.000 1.051 411 V CA 2.257 64.486 62.300 -0.119 0.000 1.036 411 V CB -1.724 30.024 31.823 -0.125 0.000 0.654 411 V HN 0.113 nan 8.190 nan 0.000 0.451 412 A N -1.229 121.520 122.820 -0.118 0.000 1.902 412 A HA -0.299 4.045 4.320 0.040 0.000 0.217 412 A C 2.242 179.799 177.584 -0.045 0.000 1.181 412 A CA 2.061 54.040 52.037 -0.095 0.000 0.623 412 A CB -0.536 18.458 19.000 -0.011 0.000 0.818 412 A HN 0.570 nan 8.150 nan 0.000 0.443 413 Q N -1.098 118.686 119.800 -0.026 0.000 2.050 413 Q HA -0.191 4.172 4.340 0.040 0.000 0.202 413 Q C 2.109 178.089 176.000 -0.033 0.000 0.980 413 Q CA 1.740 57.538 55.803 -0.008 0.000 0.840 413 Q CB -0.250 28.483 28.738 -0.009 0.000 0.898 413 Q HN 0.573 nan 8.270 nan 0.000 0.424 414 L N 0.644 121.820 121.223 -0.077 0.000 1.989 414 L HA -0.159 4.205 4.340 0.040 0.000 0.211 414 L C 2.250 179.049 176.870 -0.118 0.000 1.071 414 L CA 2.330 57.109 54.840 -0.103 0.000 0.749 414 L CB -0.949 41.035 42.059 -0.126 0.000 0.890 414 L HN 0.197 nan 8.230 nan 0.000 0.431 415 A N -0.564 122.149 122.820 -0.179 0.000 1.892 415 A HA -0.182 4.162 4.320 0.040 0.000 0.218 415 A C 2.337 179.904 177.584 -0.028 0.000 1.188 415 A CA 1.979 53.860 52.037 -0.260 0.000 0.631 415 A CB -1.692 16.891 19.000 -0.695 0.000 0.822 415 A HN 0.573 nan 8.150 nan 0.000 0.447 416 G N -0.947 107.894 108.800 0.069 0.000 2.404 416 G HA2 -0.189 3.795 3.960 0.040 0.000 0.215 416 G HA3 -0.189 3.795 3.960 0.040 0.000 0.215 416 G C 1.670 176.646 174.900 0.126 0.000 1.174 416 G CA 0.770 45.992 45.100 0.204 0.000 0.780 416 G HN 0.404 nan 8.290 nan 0.000 0.537 417 R N 0.288 120.831 120.500 0.071 0.000 2.075 417 R HA 0.097 4.461 4.340 0.040 0.000 0.232 417 R C 2.668 179.030 176.300 0.102 0.000 1.126 417 R CA 0.540 56.690 56.100 0.084 0.000 0.963 417 R CB -1.186 29.157 30.300 0.073 0.000 0.858 417 R HN 0.402 nan 8.270 nan 0.000 0.435 418 L N 0.325 121.554 121.223 0.010 0.000 2.012 418 L HA -0.161 4.203 4.340 0.040 0.000 0.210 418 L C 2.661 179.584 176.870 0.089 0.000 1.073 418 L CA 1.562 56.385 54.840 -0.029 0.000 0.748 418 L CB -0.768 41.183 42.059 -0.181 0.000 0.891 418 L HN 0.153 nan 8.230 nan 0.000 0.431 419 A N 0.064 122.944 122.820 0.100 0.000 1.883 419 A HA -0.205 4.139 4.320 0.040 0.000 0.217 419 A C 2.514 180.159 177.584 0.101 0.000 1.186 419 A CA 1.933 54.039 52.037 0.115 0.000 0.624 419 A CB -0.796 18.309 19.000 0.174 0.000 0.822 419 A HN 0.422 nan 8.150 nan 0.000 0.444 420 A N -1.316 121.568 122.820 0.107 0.000 1.969 420 A HA -0.108 4.236 4.320 0.040 0.000 0.218 420 A C 1.829 179.472 177.584 0.099 0.000 1.169 420 A CA 1.603 53.694 52.037 0.089 0.000 0.635 420 A CB -0.303 18.748 19.000 0.085 0.000 0.810 420 A HN 0.552 nan 8.150 nan 0.000 0.445 421 Q N -1.256 118.635 119.800 0.152 0.000 2.242 421 Q HA 0.394 4.758 4.340 0.040 0.000 0.246 421 Q C 0.839 176.943 176.000 0.174 0.000 0.883 421 Q CA 0.563 56.467 55.803 0.168 0.000 0.984 421 Q CB 0.040 28.934 28.738 0.259 0.000 1.096 421 Q HN 0.802 nan 8.270 nan 0.000 0.452 422 G N -0.918 107.958 108.800 0.126 0.000 2.179 422 G HA2 -0.305 3.679 3.960 0.040 0.000 0.260 422 G HA3 -0.305 3.679 3.960 0.040 0.000 0.260 422 G C 0.294 175.266 174.900 0.120 0.000 0.977 422 G CA -0.016 45.145 45.100 0.102 0.000 0.641 422 G HN 0.599 nan 8.290 nan 0.000 0.533 423 A N -0.282 122.628 122.820 0.150 0.000 2.332 423 A HA 0.759 5.103 4.320 0.040 0.000 0.258 423 A C 0.678 178.301 177.584 0.065 0.000 1.087 423 A CA 0.397 52.506 52.037 0.119 0.000 0.802 423 A CB 0.425 19.479 19.000 0.090 0.000 1.042 423 A HN 0.818 nan 8.150 nan 0.000 0.489 424 R N 1.153 121.690 120.500 0.061 0.000 2.207 424 R HA 0.529 4.893 4.340 0.040 0.000 0.334 424 R C -1.676 174.624 176.300 0.001 0.000 1.013 424 R CA -0.177 55.930 56.100 0.011 0.000 0.858 424 R CB 0.545 30.875 30.300 0.049 0.000 1.094 424 R HN 0.456 nan 8.270 nan 0.000 0.457 425 V N 5.683 125.528 119.914 -0.116 0.000 2.540 425 V HA 0.414 4.558 4.120 0.040 0.000 0.302 425 V C -1.149 174.797 176.094 -0.248 0.000 1.035 425 V CA -0.800 61.456 62.300 -0.075 0.000 0.873 425 V CB 1.545 33.380 31.823 0.019 0.000 0.992 425 V HN 0.657 nan 8.190 nan 0.000 0.428 426 Y N 2.263 122.539 120.300 -0.040 0.000 2.376 426 Y HA 0.786 5.360 4.550 0.039 0.000 0.340 426 Y C 0.361 176.341 175.900 0.132 0.000 0.965 426 Y CA -0.499 57.578 58.100 -0.038 0.000 1.078 426 Y CB 2.180 40.292 38.460 -0.579 0.000 1.193 426 Y HN 0.772 nan 8.280 nan 0.000 0.452 427 A N 3.284 126.449 122.820 0.575 0.000 2.356 427 A HA 0.884 5.228 4.320 0.040 0.000 0.323 427 A C -1.744 176.238 177.584 0.664 0.000 1.119 427 A CA -0.659 51.621 52.037 0.406 0.000 0.790 427 A CB 0.993 20.072 19.000 0.131 0.000 1.273 427 A HN 0.763 nan 8.150 nan 0.000 0.452 428 Y N -0.890 119.644 120.300 0.389 0.000 2.597 428 Y HA 0.778 5.351 4.550 0.039 0.000 0.340 428 Y C -1.250 174.816 175.900 0.277 0.000 1.097 428 Y CA -1.495 56.793 58.100 0.314 0.000 1.037 428 Y CB 1.268 39.915 38.460 0.311 0.000 1.305 428 Y HN 0.691 nan 8.280 nan 0.000 0.463 429 I N 3.149 124.018 120.570 0.497 0.000 2.436 429 I HA 0.470 4.664 4.170 0.040 0.000 0.289 429 I C -1.803 174.645 176.117 0.553 0.000 1.010 429 I CA -1.044 60.514 61.300 0.429 0.000 1.098 429 I CB 1.139 39.320 38.000 0.301 0.000 1.266 429 I HN 0.735 nan 8.210 nan 0.000 0.434 430 F N 7.261 127.487 119.950 0.461 0.000 2.405 430 F HA 0.394 4.945 4.527 0.041 0.000 0.355 430 F C 0.635 176.583 175.800 0.247 0.000 1.121 430 F CA 0.116 58.336 58.000 0.366 0.000 1.112 430 F CB 0.883 40.124 39.000 0.402 0.000 1.126 430 F HN 0.551 nan 8.300 nan 0.000 0.481 431 E N 2.836 122.890 120.200 -0.242 0.000 2.601 431 E HA -0.027 4.347 4.350 0.040 0.000 0.219 431 E C -0.727 175.751 176.600 -0.203 0.000 0.964 431 E CA -0.163 56.175 56.400 -0.104 0.000 1.050 431 E CB 0.313 29.983 29.700 -0.051 0.000 1.068 431 E HN 0.545 nan 8.360 nan 0.000 0.496 432 H N 1.585 120.295 119.070 -0.600 0.000 2.562 432 H HA 0.216 4.796 4.556 0.040 0.000 0.314 432 H C -0.335 174.945 175.328 -0.080 0.000 1.079 432 H CA -0.363 55.410 56.048 -0.458 0.000 1.349 432 H CB 0.533 29.793 29.762 -0.836 0.000 1.432 432 H HN -0.160 nan 8.280 nan 0.000 0.479 433 R N 4.270 124.416 120.500 -0.589 0.000 2.202 433 R HA 0.457 4.821 4.340 0.040 0.000 0.334 433 R C -0.551 175.452 176.300 -0.494 0.000 1.036 433 R CA -0.596 55.308 56.100 -0.327 0.000 0.878 433 R CB 0.296 30.504 30.300 -0.153 0.000 1.067 433 R HN 0.837 nan 8.270 nan 0.000 0.457 434 A N 3.261 126.097 122.820 0.027 0.000 2.566 434 A HA -0.036 4.308 4.320 0.040 0.000 0.245 434 A C 1.364 179.041 177.584 0.156 0.000 1.056 434 A CA 0.671 52.938 52.037 0.385 0.000 0.757 434 A CB 0.218 19.557 19.000 0.566 0.000 0.979 434 A HN 1.019 nan 8.150 nan 0.000 0.508 435 S N 1.648 117.478 115.700 0.216 0.000 2.442 435 S HA -0.146 4.348 4.470 0.040 0.000 0.236 435 S C 1.327 175.923 174.600 -0.007 0.000 1.007 435 S CA 1.557 59.812 58.200 0.091 0.000 0.965 435 S CB -0.710 62.571 63.200 0.135 0.000 0.773 435 S HN 1.257 nan 8.310 nan 0.000 0.504 436 T N -0.831 113.683 114.554 -0.065 0.000 3.086 436 T HA 0.360 4.734 4.350 0.040 0.000 0.250 436 T C 0.348 174.970 174.700 -0.130 0.000 1.074 436 T CA -0.583 61.411 62.100 -0.177 0.000 0.988 436 T CB -0.411 68.209 68.868 -0.413 0.000 0.988 436 T HN 0.216 nan 8.240 nan 0.000 0.530 437 L N 4.324 125.509 121.223 -0.063 0.000 2.540 437 L HA 0.231 4.595 4.340 0.040 0.000 0.276 437 L C 1.625 178.441 176.870 -0.089 0.000 1.212 437 L CA 0.657 55.450 54.840 -0.078 0.000 0.893 437 L CB 0.681 42.706 42.059 -0.058 0.000 1.138 437 L HN 0.471 nan 8.230 nan 0.000 0.491 438 T N -0.048 114.413 114.554 -0.154 0.000 3.057 438 T HA 0.048 4.421 4.350 0.040 0.000 0.254 438 T C 0.504 175.204 174.700 0.000 0.000 1.094 438 T CA -0.402 61.611 62.100 -0.145 0.000 1.088 438 T CB -0.297 68.358 68.868 -0.355 0.000 0.934 438 T HN 0.403 nan 8.240 nan 0.000 0.497 439 W N 3.518 124.835 121.300 0.028 0.000 2.137 439 W HA 0.386 5.070 4.660 0.039 0.000 0.344 439 W C -1.899 174.531 176.519 -0.149 0.000 1.286 439 W CA -2.122 55.208 57.345 -0.026 0.000 1.240 439 W CB 0.187 29.565 29.460 -0.136 0.000 1.141 439 W HN 0.024 nan 8.180 nan 0.000 0.579 440 P HA 0.056 nan 4.420 nan 0.000 0.274 440 P C 0.414 177.632 177.300 -0.138 0.000 1.256 440 P CA -0.095 62.973 63.100 -0.053 0.000 0.795 440 P CB 0.891 32.584 31.700 -0.012 0.000 1.038 441 L N -0.276 120.929 121.223 -0.030 0.000 2.131 441 L HA -0.110 4.254 4.340 0.040 0.000 0.210 441 L C 2.559 179.439 176.870 0.017 0.000 1.092 441 L CA 1.325 56.164 54.840 -0.002 0.000 0.759 441 L CB -0.917 41.172 42.059 0.049 0.000 0.903 441 L HN 0.594 nan 8.230 nan 0.000 0.435 442 W N -0.765 120.570 121.300 0.059 0.000 2.465 442 W HA -0.135 4.548 4.660 0.038 0.000 0.268 442 W C 1.736 178.305 176.519 0.084 0.000 1.242 442 W CA 0.514 57.897 57.345 0.063 0.000 1.248 442 W CB -0.762 28.736 29.460 0.064 0.000 1.118 442 W HN 0.181 nan 8.180 nan 0.000 0.587 443 M N 1.299 120.494 119.600 -0.675 0.000 2.476 443 M HA 0.092 4.596 4.480 0.040 0.000 0.262 443 M C 1.917 178.111 176.300 -0.176 0.000 1.079 443 M CA 1.556 56.479 55.300 -0.629 0.000 1.104 443 M CB -0.806 31.289 32.600 -0.842 0.000 1.409 443 M HN 0.208 nan 8.290 nan 0.000 0.467 444 G N 0.826 109.575 108.800 -0.085 0.000 2.596 444 G HA2 -0.302 3.682 3.960 0.040 0.000 0.304 444 G HA3 -0.302 3.682 3.960 0.040 0.000 0.304 444 G C -0.028 174.878 174.900 0.010 0.000 1.189 444 G CA 0.028 45.128 45.100 -0.000 0.000 0.986 444 G HN 0.271 nan 8.290 nan 0.000 0.548 445 V N 3.723 123.685 119.914 0.080 0.000 2.288 445 V HA 0.479 4.623 4.120 0.040 0.000 0.266 445 V C -1.854 174.362 176.094 0.204 0.000 1.048 445 V CA -0.810 61.588 62.300 0.163 0.000 0.842 445 V CB 1.127 33.091 31.823 0.235 0.000 1.064 445 V HN 0.517 nan 8.190 nan 0.000 0.472 446 P HA 0.221 nan 4.420 nan 0.000 0.278 446 P C -0.262 177.235 177.300 0.328 0.000 1.258 446 P CA -0.636 62.591 63.100 0.211 0.000 0.811 446 P CB 0.397 32.142 31.700 0.075 0.000 1.063 447 H N 0.806 119.937 119.070 0.102 0.000 3.214 447 H HA 0.193 4.772 4.556 0.039 0.000 0.291 447 H C 1.538 176.742 175.328 -0.208 0.000 0.926 447 H CA 2.437 58.469 56.048 -0.028 0.000 1.409 447 H CB -0.801 28.904 29.762 -0.094 0.000 1.406 447 H HN 0.759 nan 8.280 nan 0.000 0.561 448 G N 3.513 112.034 108.800 -0.465 0.000 2.213 448 G HA2 -0.310 3.674 3.960 0.040 0.000 0.236 448 G HA3 -0.310 3.674 3.960 0.040 0.000 0.236 448 G C 0.560 175.291 174.900 -0.282 0.000 0.991 448 G CA 0.311 45.092 45.100 -0.532 0.000 0.629 448 G HN 0.643 nan 8.290 nan 0.000 0.517 449 Y N 1.577 121.958 120.300 0.136 0.000 2.495 449 Y HA 0.251 4.825 4.550 0.040 0.000 0.293 449 Y C 2.291 178.307 175.900 0.194 0.000 1.186 449 Y CA 0.866 59.115 58.100 0.247 0.000 1.266 449 Y CB 0.421 39.065 38.460 0.308 0.000 1.101 449 Y HN 0.493 nan 8.280 nan 0.000 0.517 450 E N 0.213 120.378 120.200 -0.058 0.000 2.340 450 E HA -0.057 4.317 4.350 0.040 0.000 0.194 450 E C 1.605 178.097 176.600 -0.180 0.000 0.996 450 E CA 0.638 56.703 56.400 -0.557 0.000 0.869 450 E CB -0.396 28.567 29.700 -1.230 0.000 0.835 450 E HN 0.542 nan 8.360 nan 0.000 0.493 451 I N 2.929 123.477 120.570 -0.036 0.000 2.163 451 I HA -0.314 3.880 4.170 0.040 0.000 0.243 451 I C 2.721 178.837 176.117 -0.001 0.000 1.085 451 I CA 2.176 63.497 61.300 0.036 0.000 1.347 451 I CB -0.513 37.582 38.000 0.158 0.000 1.044 451 I HN 0.221 nan 8.210 nan 0.000 0.408 452 E N 0.971 121.123 120.200 -0.080 0.000 2.209 452 E HA -0.242 4.132 4.350 0.040 0.000 0.196 452 E C 2.004 178.363 176.600 -0.402 0.000 0.993 452 E CA 1.510 57.758 56.400 -0.254 0.000 0.819 452 E CB -0.505 29.018 29.700 -0.295 0.000 0.745 452 E HN 0.453 nan 8.360 nan 0.000 0.477 453 F N 1.053 120.900 119.950 -0.171 0.000 2.187 453 F HA 0.119 4.671 4.527 0.041 0.000 0.295 453 F C 2.268 177.850 175.800 -0.364 0.000 1.091 453 F CA 0.633 58.482 58.000 -0.253 0.000 1.308 453 F CB -0.115 38.825 39.000 -0.100 0.000 1.030 453 F HN -0.073 nan 8.300 nan 0.000 0.487 454 I N -1.306 119.116 120.570 -0.247 0.000 2.315 454 I HA -0.275 3.919 4.170 0.040 0.000 0.248 454 I C 1.834 177.717 176.117 -0.390 0.000 1.117 454 I CA 1.286 62.289 61.300 -0.495 0.000 1.404 454 I CB -0.412 37.119 38.000 -0.781 0.000 1.071 454 I HN 0.004 nan 8.210 nan 0.000 0.419 455 F N 0.783 120.552 119.950 -0.302 0.000 2.661 455 F HA 0.107 4.657 4.527 0.039 0.000 0.298 455 F C 1.877 177.541 175.800 -0.226 0.000 1.137 455 F CA 0.963 58.826 58.000 -0.228 0.000 1.454 455 F CB -0.182 38.666 39.000 -0.252 0.000 1.103 455 F HN 0.198 nan 8.300 nan 0.000 0.577 456 G N -0.187 108.467 108.800 -0.244 0.000 2.132 456 G HA2 -0.283 3.701 3.960 0.040 0.000 0.228 456 G HA3 -0.283 3.701 3.960 0.040 0.000 0.228 456 G C 0.932 175.279 174.900 -0.922 0.000 1.000 456 G CA 0.263 45.106 45.100 -0.428 0.000 0.693 456 G HN 0.286 nan 8.290 nan 0.000 0.515 457 L N 0.447 121.133 121.223 -0.895 0.000 2.079 457 L HA 0.046 4.410 4.340 0.040 0.000 0.210 457 L C 0.434 176.771 176.870 -0.888 0.000 1.081 457 L CA 2.635 56.875 54.840 -1.001 0.000 0.752 457 L CB -0.938 40.794 42.059 -0.544 0.000 0.896 457 L HN 0.195 nan 8.230 nan 0.000 0.433 458 P HA -0.175 nan 4.420 nan 0.000 0.222 458 P C 1.599 178.670 177.300 -0.381 0.000 1.142 458 P CA 1.004 63.557 63.100 -0.911 0.000 0.788 458 P CB 0.030 31.248 31.700 -0.803 0.000 0.767 459 L N -1.350 119.604 121.223 -0.448 0.000 2.376 459 L HA -0.023 4.341 4.340 0.040 0.000 0.219 459 L C 0.939 177.747 176.870 -0.102 0.000 1.133 459 L CA 1.118 55.816 54.840 -0.235 0.000 0.816 459 L CB -1.025 40.913 42.059 -0.203 0.000 0.933 459 L HN -0.068 nan 8.230 nan 0.000 0.449 460 D N -0.143 120.165 120.400 -0.154 0.000 2.352 460 D HA 0.084 4.748 4.640 0.040 0.000 0.245 460 D C -1.651 174.675 176.300 0.043 0.000 1.224 460 D CA -1.992 52.034 54.000 0.044 0.000 0.879 460 D CB 1.494 42.354 40.800 0.101 0.000 1.057 460 D HN -0.015 nan 8.370 nan 0.000 0.491 461 P HA -0.104 nan 4.420 nan 0.000 0.221 461 P C 1.293 178.613 177.300 0.034 0.000 1.150 461 P CA 0.715 63.840 63.100 0.042 0.000 0.800 461 P CB 0.073 31.792 31.700 0.032 0.000 0.787 462 S N -0.697 115.021 115.700 0.030 0.000 2.469 462 S HA -0.075 4.419 4.470 0.040 0.000 0.238 462 S C 1.691 176.287 174.600 -0.007 0.000 0.998 462 S CA 0.839 59.045 58.200 0.010 0.000 0.957 462 S CB -1.448 61.758 63.200 0.010 0.000 0.764 462 S HN 0.121 nan 8.310 nan 0.000 0.514 463 L N 0.708 121.939 121.223 0.015 0.000 2.509 463 L HA 0.206 4.569 4.340 0.040 0.000 0.222 463 L C 0.413 177.205 176.870 -0.130 0.000 1.123 463 L CA 0.063 54.887 54.840 -0.027 0.000 0.856 463 L CB -0.645 41.463 42.059 0.083 0.000 0.985 463 L HN 0.296 nan 8.230 nan 0.000 0.456 464 N N -1.720 116.949 118.700 -0.052 0.000 2.882 464 N HA -0.201 4.563 4.740 0.040 0.000 0.249 464 N C -0.406 175.038 175.510 -0.111 0.000 1.079 464 N CA 0.630 53.629 53.050 -0.086 0.000 0.800 464 N CB -1.593 36.818 38.487 -0.126 0.000 1.124 464 N HN 0.283 nan 8.380 nan 0.000 0.557 465 Y N 1.504 121.791 120.300 -0.021 0.000 2.357 465 Y HA 0.143 4.716 4.550 0.039 0.000 0.340 465 Y C 1.994 177.918 175.900 0.040 0.000 1.260 465 Y CA 0.390 58.504 58.100 0.023 0.000 1.425 465 Y CB 0.406 38.871 38.460 0.010 0.000 1.326 465 Y HN 0.052 nan 8.280 nan 0.000 0.580 466 T N -2.739 111.964 114.554 0.248 0.000 2.813 466 T HA 0.049 4.423 4.350 0.040 0.000 0.297 466 T C 1.133 175.912 174.700 0.131 0.000 1.036 466 T CA -0.307 61.883 62.100 0.151 0.000 1.044 466 T CB 0.852 69.798 68.868 0.130 0.000 0.993 466 T HN 0.724 nan 8.240 nan 0.000 0.535 467 T N 0.738 115.340 114.554 0.080 0.000 2.759 467 T HA -0.117 4.257 4.350 0.040 0.000 0.269 467 T C 1.800 176.533 174.700 0.055 0.000 1.042 467 T CA 1.799 63.934 62.100 0.057 0.000 1.140 467 T CB -0.406 68.484 68.868 0.037 0.000 0.864 467 T HN 0.766 nan 8.240 nan 0.000 0.455 468 E N 0.702 120.932 120.200 0.050 0.000 2.058 468 E HA -0.172 4.202 4.350 0.040 0.000 0.194 468 E C 2.342 178.972 176.600 0.051 0.000 0.997 468 E CA 1.217 57.629 56.400 0.021 0.000 0.801 468 E CB -0.058 29.631 29.700 -0.019 0.000 0.746 468 E HN 0.595 nan 8.360 nan 0.000 0.450 469 E N 0.039 120.311 120.200 0.120 0.000 2.150 469 E HA -0.166 4.208 4.350 0.040 0.000 0.193 469 E C 2.132 178.859 176.600 0.212 0.000 0.985 469 E CA 0.389 56.945 56.400 0.260 0.000 0.814 469 E CB 0.010 29.997 29.700 0.478 0.000 0.752 469 E HN 0.092 nan 8.360 nan 0.000 0.466 470 R N 0.903 121.462 120.500 0.099 0.000 2.066 470 R HA -0.125 4.239 4.340 0.040 0.000 0.232 470 R C 2.272 178.581 176.300 0.015 0.000 1.131 470 R CA 1.148 57.254 56.100 0.011 0.000 0.955 470 R CB -0.216 30.085 30.300 0.003 0.000 0.851 470 R HN 0.142 nan 8.270 nan 0.000 0.432 471 I N 0.395 120.991 120.570 0.043 0.000 2.208 471 I HA -0.298 3.896 4.170 0.040 0.000 0.245 471 I C 2.234 178.390 176.117 0.064 0.000 1.097 471 I CA 1.179 62.501 61.300 0.036 0.000 1.363 471 I CB -0.340 37.681 38.000 0.035 0.000 1.051 471 I HN 0.187 nan 8.210 nan 0.000 0.413 472 F N 1.774 121.681 119.950 -0.073 0.000 2.146 472 F HA -0.167 4.384 4.527 0.041 0.000 0.298 472 F C 2.437 178.214 175.800 -0.038 0.000 1.096 472 F CA 1.218 59.162 58.000 -0.094 0.000 1.275 472 F CB -0.565 38.313 39.000 -0.203 0.000 1.008 472 F HN 0.002 nan 8.300 nan 0.000 0.480 473 A N 0.104 122.843 122.820 -0.134 0.000 1.902 473 A HA -0.241 4.103 4.320 0.040 0.000 0.217 473 A C 2.163 179.612 177.584 -0.224 0.000 1.181 473 A CA 1.843 53.752 52.037 -0.214 0.000 0.623 473 A CB -0.907 18.000 19.000 -0.156 0.000 0.818 473 A HN 0.607 nan 8.150 nan 0.000 0.443 474 Q N -0.798 118.911 119.800 -0.151 0.000 2.096 474 Q HA -0.181 4.183 4.340 0.040 0.000 0.204 474 Q C 2.377 178.270 176.000 -0.177 0.000 0.982 474 Q CA 1.548 57.272 55.803 -0.131 0.000 0.850 474 Q CB -0.187 28.503 28.738 -0.079 0.000 0.901 474 Q HN 0.623 nan 8.270 nan 0.000 0.422 475 R N 0.216 120.591 120.500 -0.209 0.000 2.073 475 R HA -0.122 4.242 4.340 0.040 0.000 0.234 475 R C 2.302 178.322 176.300 -0.467 0.000 1.134 475 R CA 1.200 57.096 56.100 -0.340 0.000 0.952 475 R CB -0.276 29.892 30.300 -0.219 0.000 0.850 475 R HN 0.257 nan 8.270 nan 0.000 0.433 476 L N -0.126 120.903 121.223 -0.324 0.000 2.072 476 L HA -0.113 4.251 4.340 0.040 0.000 0.205 476 L C 2.514 179.343 176.870 -0.068 0.000 1.079 476 L CA 1.106 55.861 54.840 -0.142 0.000 0.752 476 L CB -0.359 41.485 42.059 -0.358 0.000 0.906 476 L HN 0.203 nan 8.230 nan 0.000 0.436 477 M N -0.137 119.362 119.600 -0.168 0.000 2.144 477 M HA -0.247 4.257 4.480 0.040 0.000 0.260 477 M C 2.301 178.596 176.300 -0.008 0.000 1.067 477 M CA 1.699 56.936 55.300 -0.106 0.000 1.095 477 M CB -0.261 32.265 32.600 -0.124 0.000 1.365 477 M HN 0.045 nan 8.290 nan 0.000 0.406 478 K N -0.203 120.156 120.400 -0.069 0.000 2.062 478 K HA -0.117 4.227 4.320 0.040 0.000 0.205 478 K C 1.539 178.178 176.600 0.064 0.000 1.051 478 K CA 1.509 57.762 56.287 -0.057 0.000 0.941 478 K CB -0.201 32.204 32.500 -0.159 0.000 0.719 478 K HN 0.205 nan 8.250 nan 0.000 0.440 479 Y N -0.629 119.793 120.300 0.202 0.000 2.114 479 Y HA -0.202 4.372 4.550 0.040 0.000 0.284 479 Y C 2.266 178.278 175.900 0.187 0.000 1.143 479 Y CA 1.127 59.365 58.100 0.230 0.000 1.135 479 Y CB -0.816 37.910 38.460 0.443 0.000 0.980 479 Y HN 0.174 nan 8.280 nan 0.000 0.499 480 W N 0.751 122.122 121.300 0.119 0.000 2.333 480 W HA -0.266 4.417 4.660 0.039 0.000 0.316 480 W C 2.527 179.046 176.519 -0.000 0.000 1.215 480 W CA 2.453 59.805 57.345 0.013 0.000 1.278 480 W CB -0.774 28.628 29.460 -0.097 0.000 1.154 480 W HN 0.246 nan 8.180 nan 0.000 0.486 481 T N -2.283 112.372 114.554 0.169 0.000 2.904 481 T HA -0.127 4.247 4.350 0.040 0.000 0.267 481 T C 1.460 176.181 174.700 0.035 0.000 1.059 481 T CA 1.147 63.279 62.100 0.053 0.000 1.137 481 T CB -0.587 68.292 68.868 0.018 0.000 0.879 481 T HN -0.066 nan 8.240 nan 0.000 0.467 482 N N 0.989 119.727 118.700 0.063 0.000 2.084 482 N HA -0.026 4.738 4.740 0.040 0.000 0.190 482 N C 1.398 176.901 175.510 -0.011 0.000 1.030 482 N CA 1.104 54.171 53.050 0.029 0.000 0.849 482 N CB -0.707 37.814 38.487 0.057 0.000 1.012 482 N HN 0.459 nan 8.380 nan 0.000 0.423 483 F N 1.760 121.612 119.950 -0.163 0.000 2.091 483 F HA -0.186 4.366 4.527 0.041 0.000 0.299 483 F C 2.194 177.904 175.800 -0.150 0.000 1.103 483 F CA 1.588 59.445 58.000 -0.240 0.000 1.228 483 F CB -0.477 38.290 39.000 -0.389 0.000 0.984 483 F HN 0.050 nan 8.300 nan 0.000 0.477 484 A N 0.391 123.129 122.820 -0.136 0.000 1.933 484 A HA -0.180 4.164 4.320 0.040 0.000 0.218 484 A C 2.329 179.801 177.584 -0.187 0.000 1.175 484 A CA 1.675 53.602 52.037 -0.184 0.000 0.628 484 A CB -0.677 18.280 19.000 -0.070 0.000 0.814 484 A HN 0.477 nan 8.150 nan 0.000 0.444 485 R N -1.152 119.268 120.500 -0.134 0.000 2.092 485 R HA -0.064 4.300 4.340 0.040 0.000 0.231 485 R C 1.819 178.037 176.300 -0.138 0.000 1.119 485 R CA 1.799 57.836 56.100 -0.107 0.000 0.970 485 R CB -0.148 30.115 30.300 -0.061 0.000 0.864 485 R HN 0.740 nan 8.270 nan 0.000 0.440 486 T N -6.282 108.161 114.554 -0.185 0.000 3.046 486 T HA 0.229 4.603 4.350 0.040 0.000 0.270 486 T C 1.149 175.719 174.700 -0.216 0.000 0.920 486 T CA 0.358 62.363 62.100 -0.158 0.000 0.874 486 T CB 1.302 70.113 68.868 -0.095 0.000 1.214 486 T HN 0.290 nan 8.240 nan 0.000 0.536 487 G N 1.389 109.933 108.800 -0.426 0.000 2.143 487 G HA2 -0.154 3.830 3.960 0.040 0.000 0.249 487 G HA3 -0.154 3.830 3.960 0.040 0.000 0.249 487 G C -0.383 174.433 174.900 -0.140 0.000 0.981 487 G CA 0.219 45.000 45.100 -0.531 0.000 0.665 487 G HN 0.818 nan 8.290 nan 0.000 0.528 488 D N -0.507 119.806 120.400 -0.144 0.000 2.736 488 D HA 0.455 5.119 4.640 0.040 0.000 0.243 488 D C -1.687 174.449 176.300 -0.274 0.000 1.304 488 D CA -1.636 52.237 54.000 -0.211 0.000 0.934 488 D CB 2.175 42.946 40.800 -0.048 0.000 1.382 488 D HN 0.006 nan 8.370 nan 0.000 0.571 489 P HA 0.017 nan 4.420 nan 0.000 0.245 489 P C -0.060 177.235 177.300 -0.008 0.000 1.212 489 P CA -0.046 62.867 63.100 -0.311 0.000 0.774 489 P CB 0.337 31.561 31.700 -0.794 0.000 0.999 490 N N 1.701 120.370 118.700 -0.051 0.000 2.520 490 N HA 0.013 4.777 4.740 0.040 0.000 0.273 490 N C 0.075 175.650 175.510 0.107 0.000 1.155 490 N CA 0.290 53.413 53.050 0.121 0.000 0.967 490 N CB 0.606 39.159 38.487 0.109 0.000 1.092 490 N HN 0.050 nan 8.380 nan 0.000 0.457 491 D N 2.647 123.131 120.400 0.141 0.000 2.358 491 D HA 0.049 4.713 4.640 0.040 0.000 0.258 491 D C -1.472 174.867 176.300 0.066 0.000 1.223 491 D CA -1.239 52.812 54.000 0.085 0.000 0.886 491 D CB 1.067 41.912 40.800 0.074 0.000 1.120 491 D HN 0.318 nan 8.370 nan 0.000 0.482 492 P HA 0.042 nan 4.420 nan 0.000 0.245 492 P C 0.917 178.237 177.300 0.033 0.000 1.212 492 P CA 0.121 63.243 63.100 0.036 0.000 0.774 492 P CB 0.660 32.374 31.700 0.022 0.000 0.999 493 R N -0.023 120.497 120.500 0.034 0.000 2.225 493 R HA 0.105 4.469 4.340 0.040 0.000 0.194 493 R C 0.183 176.504 176.300 0.034 0.000 0.949 493 R CA 0.212 56.330 56.100 0.029 0.000 1.088 493 R CB -0.725 29.588 30.300 0.022 0.000 1.106 493 R HN 0.193 nan 8.270 nan 0.000 0.566 494 D N 0.868 121.293 120.400 0.042 0.000 2.450 494 D HA -0.072 4.591 4.640 0.040 0.000 0.247 494 D C -0.228 176.105 176.300 0.056 0.000 1.162 494 D CA 0.419 54.448 54.000 0.048 0.000 0.879 494 D CB 0.792 41.626 40.800 0.058 0.000 1.163 494 D HN -0.077 nan 8.370 nan 0.000 0.472 495 S N 4.920 120.650 115.700 0.049 0.000 3.965 495 S HA 0.207 4.700 4.470 0.040 0.000 0.195 495 S C -0.433 174.201 174.600 0.057 0.000 1.449 495 S CA -0.538 57.692 58.200 0.050 0.000 0.965 495 S CB -1.038 62.185 63.200 0.039 0.000 1.459 495 S HN 0.592 nan 8.310 nan 0.000 0.476 496 K N 0.564 121.008 120.400 0.074 0.000 5.333 496 K HA -0.131 4.213 4.320 0.040 0.000 0.821 496 K C 0.023 176.677 176.600 0.091 0.000 2.144 496 K CA 0.625 56.961 56.287 0.083 0.000 1.648 496 K CB -1.338 31.201 32.500 0.065 0.000 3.100 496 K HN 0.588 nan 8.250 nan 0.000 0.215 497 S N 1.445 117.213 115.700 0.114 0.000 2.649 497 S HA 0.285 4.779 4.470 0.040 0.000 0.246 497 S C -1.419 173.238 174.600 0.096 0.000 1.057 497 S CA -0.175 58.098 58.200 0.120 0.000 1.051 497 S CB 0.115 63.425 63.200 0.183 0.000 1.018 497 S HN 0.514 nan 8.310 nan 0.000 0.569 498 P HA 0.161 nan 4.420 nan 0.000 0.281 498 P C -0.494 176.880 177.300 0.123 0.000 1.274 498 P CA 0.001 63.152 63.100 0.084 0.000 0.794 498 P CB 0.296 32.030 31.700 0.057 0.000 1.201 499 Q N -1.263 118.617 119.800 0.132 0.000 2.293 499 Q HA 0.108 4.472 4.340 0.040 0.000 0.251 499 Q C -0.449 175.703 176.000 0.253 0.000 0.930 499 Q CA 0.003 55.920 55.803 0.190 0.000 0.893 499 Q CB 0.536 29.374 28.738 0.167 0.000 1.215 499 Q HN 0.514 nan 8.270 nan 0.000 0.425 500 W N 6.539 127.888 121.300 0.083 0.000 2.481 500 W HA 0.247 4.932 4.660 0.042 0.000 0.320 500 W C -2.413 174.240 176.519 0.222 0.000 1.209 500 W CA -2.340 55.063 57.345 0.097 0.000 1.400 500 W CB 0.149 29.605 29.460 -0.008 0.000 1.361 500 W HN 0.390 nan 8.180 nan 0.000 0.456 501 P HA 0.296 nan 4.420 nan 0.000 0.279 501 P C -2.630 174.878 177.300 0.348 0.000 1.252 501 P CA -1.821 61.505 63.100 0.377 0.000 0.811 501 P CB 0.723 32.551 31.700 0.214 0.000 1.035 502 P HA 0.091 nan 4.420 nan 0.000 0.271 502 P C -0.619 176.668 177.300 -0.022 0.000 1.218 502 P CA 0.004 62.904 63.100 -0.333 0.000 0.780 502 P CB 0.073 31.527 31.700 -0.410 0.000 0.901 503 Y N 2.759 123.007 120.300 -0.086 0.000 2.442 503 Y HA 0.332 4.905 4.550 0.039 0.000 0.330 503 Y C 0.434 176.325 175.900 -0.014 0.000 1.129 503 Y CA 0.829 58.945 58.100 0.026 0.000 1.365 503 Y CB 0.335 38.835 38.460 0.068 0.000 1.233 503 Y HN 0.438 nan 8.280 nan 0.000 0.529 504 T N 0.170 114.474 114.554 -0.417 0.000 2.896 504 T HA 0.251 4.625 4.350 0.040 0.000 0.297 504 T C 0.791 175.273 174.700 -0.364 0.000 1.108 504 T CA -0.231 61.728 62.100 -0.235 0.000 1.004 504 T CB 1.271 70.058 68.868 -0.136 0.000 1.159 504 T HN 0.636 nan 8.240 nan 0.000 0.499 505 T N -0.612 113.865 114.554 -0.128 0.000 2.867 505 T HA 0.054 4.428 4.350 0.040 0.000 0.268 505 T C 2.198 176.846 174.700 -0.086 0.000 1.057 505 T CA 0.904 62.960 62.100 -0.073 0.000 1.136 505 T CB -0.737 68.147 68.868 0.026 0.000 0.874 505 T HN 0.866 nan 8.240 nan 0.000 0.466 506 A N 2.198 124.971 122.820 -0.078 0.000 1.825 506 A HA 0.434 4.777 4.320 0.040 0.000 0.214 506 A C 2.815 180.355 177.584 -0.074 0.000 1.206 506 A CA 1.725 53.729 52.037 -0.054 0.000 0.609 506 A CB -1.467 17.512 19.000 -0.035 0.000 0.851 506 A HN 0.695 nan 8.150 nan 0.000 0.445 507 A N -2.249 120.510 122.820 -0.101 0.000 1.968 507 A HA 0.076 4.420 4.320 0.040 0.000 0.217 507 A C 1.153 178.666 177.584 -0.119 0.000 1.169 507 A CA 1.295 53.281 52.037 -0.085 0.000 0.638 507 A CB -0.440 18.522 19.000 -0.064 0.000 0.812 507 A HN 0.643 nan 8.150 nan 0.000 0.446 508 Q N -0.964 118.657 119.800 -0.297 0.000 2.475 508 Q HA -0.211 4.153 4.340 0.040 0.000 0.280 508 Q C -0.714 175.251 176.000 -0.057 0.000 1.234 508 Q CA 0.686 56.235 55.803 -0.423 0.000 0.873 508 Q CB -1.780 26.898 28.738 -0.099 0.000 1.256 508 Q HN 0.859 nan 8.270 nan 0.000 0.475 509 Q N 0.391 120.162 119.800 -0.048 0.000 2.288 509 Q HA 0.465 4.829 4.340 0.040 0.000 0.254 509 Q C -0.391 175.852 176.000 0.405 0.000 0.932 509 Q CA 0.061 55.944 55.803 0.134 0.000 0.902 509 Q CB 0.560 29.338 28.738 0.066 0.000 1.203 509 Q HN 0.331 nan 8.270 nan 0.000 0.415 510 Y N -1.484 118.950 120.300 0.222 0.000 2.625 510 Y HA 0.722 5.295 4.550 0.038 0.000 0.338 510 Y C -1.121 174.802 175.900 0.039 0.000 1.123 510 Y CA -1.541 56.702 58.100 0.237 0.000 1.046 510 Y CB 0.610 39.224 38.460 0.256 0.000 1.299 510 Y HN 0.350 nan 8.280 nan 0.000 0.464 511 V N -0.292 119.580 119.914 -0.070 0.000 2.815 511 V HA 0.848 4.992 4.120 0.040 0.000 0.314 511 V C -0.253 175.775 176.094 -0.110 0.000 1.064 511 V CA -0.571 61.520 62.300 -0.347 0.000 0.952 511 V CB 1.317 32.630 31.823 -0.849 0.000 1.020 511 V HN 1.171 nan 8.190 nan 0.000 0.439 512 S N 3.716 119.342 115.700 -0.124 0.000 2.499 512 S HA 0.711 5.205 4.470 0.040 0.000 0.279 512 S C -0.491 174.077 174.600 -0.054 0.000 1.219 512 S CA -0.682 57.514 58.200 -0.006 0.000 1.062 512 S CB 0.654 63.846 63.200 -0.014 0.000 0.978 512 S HN 0.757 nan 8.310 nan 0.000 0.489 513 L N 4.158 125.396 121.223 0.024 0.000 2.262 513 L HA 0.537 4.901 4.340 0.040 0.000 0.288 513 L C -0.120 176.677 176.870 -0.121 0.000 1.035 513 L CA -0.401 54.474 54.840 0.058 0.000 0.820 513 L CB 0.105 42.288 42.059 0.207 0.000 1.204 513 L HN 0.970 nan 8.230 nan 0.000 0.424 514 N N 2.086 120.684 118.700 -0.170 0.000 3.449 514 N HA 0.306 5.070 4.740 0.040 0.000 0.312 514 N C 0.156 175.201 175.510 -0.775 0.000 1.557 514 N CA -0.953 51.731 53.050 -0.609 0.000 0.864 514 N CB 0.579 38.843 38.487 -0.372 0.000 1.799 514 N HN 0.195 nan 8.380 nan 0.000 0.554 515 L N -0.914 119.837 121.223 -0.787 0.000 2.141 515 L HA 0.064 4.428 4.340 0.040 0.000 0.209 515 L C 0.492 177.204 176.870 -0.263 0.000 1.094 515 L CA 0.858 55.338 54.840 -0.599 0.000 0.763 515 L CB -0.503 41.275 42.059 -0.468 0.000 0.908 515 L HN 0.390 nan 8.230 nan 0.000 0.437 516 K N 0.702 120.985 120.400 -0.195 0.000 2.276 516 K HA 0.223 4.567 4.320 0.040 0.000 0.259 516 K C -2.130 174.438 176.600 -0.053 0.000 1.001 516 K CA -1.815 54.412 56.287 -0.099 0.000 0.927 516 K CB -0.489 31.962 32.500 -0.082 0.000 0.969 516 K HN -0.158 nan 8.250 nan 0.000 0.490 517 P HA -0.001 nan 4.420 nan 0.000 0.267 517 P C 0.076 177.381 177.300 0.008 0.000 1.201 517 P CA -0.115 62.998 63.100 0.021 0.000 0.775 517 P CB 0.341 32.053 31.700 0.021 0.000 0.854 518 L N 1.529 122.771 121.223 0.032 0.000 2.653 518 L HA -0.097 4.267 4.340 0.040 0.000 0.288 518 L C 1.130 177.964 176.870 -0.059 0.000 1.243 518 L CA 0.947 55.764 54.840 -0.038 0.000 0.906 518 L CB -0.275 41.759 42.059 -0.042 0.000 1.154 518 L HN 0.516 nan 8.230 nan 0.000 0.498 519 E N 3.177 123.316 120.200 -0.101 0.000 2.199 519 E HA 0.408 4.782 4.350 0.040 0.000 0.269 519 E C -1.372 175.133 176.600 -0.159 0.000 0.899 519 E CA -0.817 55.523 56.400 -0.100 0.000 0.772 519 E CB 1.988 31.638 29.700 -0.084 0.000 1.155 519 E HN 0.299 nan 8.360 nan 0.000 0.408 520 V N 5.089 124.920 119.914 -0.138 0.000 2.406 520 V HA 0.387 4.531 4.120 0.040 0.000 0.272 520 V C 0.276 176.228 176.094 -0.235 0.000 1.043 520 V CA -0.286 61.908 62.300 -0.177 0.000 0.915 520 V CB 0.841 32.615 31.823 -0.082 0.000 0.988 520 V HN 0.680 nan 8.190 nan 0.000 0.466 521 R N 3.907 124.134 120.500 -0.455 0.000 2.828 521 R HA 0.753 5.117 4.340 0.040 0.000 0.264 521 R C -0.658 175.395 176.300 -0.412 0.000 1.022 521 R CA -0.992 54.813 56.100 -0.491 0.000 1.021 521 R CB 2.158 32.049 30.300 -0.682 0.000 1.163 521 R HN 0.580 nan 8.270 nan 0.000 0.494 522 R N 0.000 120.437 120.500 -0.105 0.000 2.480 522 R HA 0.457 4.821 4.340 0.040 0.000 0.306 522 R C -0.880 175.584 176.300 0.273 0.000 0.958 522 R CA -0.457 55.694 56.100 0.085 0.000 0.861 522 R CB 2.184 32.507 30.300 0.038 0.000 1.171 522 R HN 0.900 nan 8.270 nan 0.000 0.445 523 G N 2.608 111.648 108.800 0.401 0.000 3.292 523 G HA2 -0.202 3.782 3.960 0.040 0.000 0.636 523 G HA3 -0.202 3.782 3.960 0.040 0.000 0.636 523 G C -1.044 174.061 174.900 0.341 0.000 1.069 523 G CA -0.933 44.360 45.100 0.321 0.000 0.890 523 G HN 0.430 nan 8.290 nan 0.000 0.427 524 L N 3.370 124.690 121.223 0.161 0.000 2.401 524 L HA 0.606 4.970 4.340 0.040 0.000 0.283 524 L C 1.413 178.295 176.870 0.020 0.000 1.151 524 L CA 0.199 54.956 54.840 -0.139 0.000 0.942 524 L CB -0.300 41.590 42.059 -0.281 0.000 1.283 524 L HN 0.831 nan 8.230 nan 0.000 0.442 525 R N 2.960 123.508 120.500 0.081 0.000 3.251 525 R HA -0.293 4.071 4.340 0.040 0.000 0.249 525 R C 1.243 177.636 176.300 0.156 0.000 0.949 525 R CA 0.632 56.812 56.100 0.133 0.000 0.645 525 R CB -1.004 29.378 30.300 0.137 0.000 1.065 525 R HN 0.850 nan 8.270 nan 0.000 0.452 526 A N 0.329 123.239 122.820 0.151 0.000 1.902 526 A HA -0.215 4.129 4.320 0.040 0.000 0.217 526 A C 1.821 179.495 177.584 0.151 0.000 1.181 526 A CA 1.307 53.433 52.037 0.148 0.000 0.623 526 A CB -0.163 18.919 19.000 0.137 0.000 0.818 526 A HN 0.556 nan 8.150 nan 0.000 0.443 527 Q N -0.595 119.292 119.800 0.145 0.000 2.046 527 Q HA -0.103 4.261 4.340 0.040 0.000 0.200 527 Q C 2.216 178.328 176.000 0.186 0.000 0.975 527 Q CA 2.032 57.921 55.803 0.144 0.000 0.836 527 Q CB -1.146 27.664 28.738 0.121 0.000 0.896 527 Q HN 0.632 nan 8.270 nan 0.000 0.428 528 T N 0.690 115.382 114.554 0.229 0.000 2.821 528 T HA -0.115 4.259 4.350 0.040 0.000 0.267 528 T C 2.030 176.966 174.700 0.393 0.000 1.046 528 T CA 1.196 63.473 62.100 0.296 0.000 1.139 528 T CB -0.231 68.854 68.868 0.361 0.000 0.871 528 T HN 0.324 nan 8.240 nan 0.000 0.454 529 c N 1.552 120.359 118.600 0.345 0.000 2.446 529 c HA 0.276 4.869 4.570 0.040 0.000 0.279 529 c C 3.126 177.380 174.090 0.273 0.000 1.366 529 c CA -0.115 56.428 56.329 0.355 0.000 1.763 529 c CB -1.410 41.239 42.510 0.233 0.000 1.929 529 c HN 0.634 nan 8.230 nan 0.000 0.509 530 A N 0.569 123.515 122.820 0.210 0.000 1.908 530 A HA -0.223 4.121 4.320 0.040 0.000 0.218 530 A C 1.881 179.564 177.584 0.166 0.000 1.181 530 A CA 1.773 53.909 52.037 0.164 0.000 0.627 530 A CB -0.842 18.239 19.000 0.135 0.000 0.818 530 A HN 0.546 nan 8.150 nan 0.000 0.445 531 F N -0.770 119.170 119.950 -0.017 0.000 2.069 531 F HA -0.208 4.345 4.527 0.043 0.000 0.298 531 F C 1.970 177.720 175.800 -0.082 0.000 1.113 531 F CA 1.924 59.833 58.000 -0.152 0.000 1.214 531 F CB -0.577 38.078 39.000 -0.575 0.000 0.978 531 F HN 0.388 nan 8.300 nan 0.000 0.474 532 W N 0.473 121.742 121.300 -0.052 0.000 2.409 532 W HA -0.123 4.560 4.660 0.038 0.000 0.299 532 W C 2.228 178.695 176.519 -0.087 0.000 1.203 532 W CA 1.039 58.319 57.345 -0.108 0.000 1.298 532 W CB -0.578 28.946 29.460 0.106 0.000 1.127 532 W HN -0.037 nan 8.180 nan 0.000 0.528 533 N N -0.568 118.255 118.700 0.205 0.000 2.395 533 N HA 0.038 4.802 4.740 0.040 0.000 0.175 533 N C 1.520 177.064 175.510 0.057 0.000 1.029 533 N CA 0.898 54.020 53.050 0.120 0.000 0.897 533 N CB -0.144 38.414 38.487 0.120 0.000 0.991 533 N HN 0.225 nan 8.380 nan 0.000 0.441 534 R N -1.406 119.126 120.500 0.053 0.000 2.167 534 R HA 0.228 4.592 4.340 0.040 0.000 0.195 534 R C 1.433 177.747 176.300 0.023 0.000 1.027 534 R CA -0.004 56.123 56.100 0.046 0.000 1.114 534 R CB -0.149 30.201 30.300 0.084 0.000 1.075 534 R HN 0.040 nan 8.270 nan 0.000 0.538 535 F N 1.698 121.559 119.950 -0.147 0.000 2.147 535 F HA 0.073 4.625 4.527 0.041 0.000 0.291 535 F C 1.885 177.520 175.800 -0.276 0.000 1.093 535 F CA 1.101 58.985 58.000 -0.194 0.000 1.263 535 F CB -0.218 38.676 39.000 -0.177 0.000 1.036 535 F HN -0.152 nan 8.300 nan 0.000 0.481 536 L N 0.538 121.429 121.223 -0.552 0.000 2.013 536 L HA -0.206 4.158 4.340 0.040 0.000 0.212 536 L C -0.410 176.230 176.870 -0.383 0.000 1.073 536 L CA 1.822 56.321 54.840 -0.569 0.000 0.753 536 L CB -2.132 39.617 42.059 -0.515 0.000 0.890 536 L HN 0.152 nan 8.230 nan 0.000 0.432 537 P HA -0.193 nan 4.420 nan 0.000 0.215 537 P C 1.362 178.537 177.300 -0.208 0.000 1.153 537 P CA 1.423 64.423 63.100 -0.167 0.000 0.853 537 P CB -0.003 31.641 31.700 -0.094 0.000 0.788 538 K N -1.146 119.090 120.400 -0.273 0.000 2.209 538 K HA -0.116 4.227 4.320 0.040 0.000 0.204 538 K C 1.862 178.260 176.600 -0.336 0.000 1.048 538 K CA 0.817 56.946 56.287 -0.265 0.000 0.940 538 K CB -0.657 31.700 32.500 -0.240 0.000 0.729 538 K HN 0.067 nan 8.250 nan 0.000 0.451 539 L N 1.277 122.190 121.223 -0.516 0.000 2.156 539 L HA -0.055 4.309 4.340 0.040 0.000 0.208 539 L C 1.823 178.551 176.870 -0.235 0.000 1.095 539 L CA 1.155 55.736 54.840 -0.432 0.000 0.770 539 L CB -0.307 41.411 42.059 -0.568 0.000 0.914 539 L HN 0.148 nan 8.230 nan 0.000 0.439 540 L N -1.725 119.374 121.223 -0.207 0.000 1.994 540 L HA -0.217 4.147 4.340 0.040 0.000 0.208 540 L C 2.428 179.238 176.870 -0.101 0.000 1.071 540 L CA 1.670 56.434 54.840 -0.127 0.000 0.745 540 L CB -0.374 41.623 42.059 -0.105 0.000 0.892 540 L HN 0.247 nan 8.230 nan 0.000 0.431 541 S N 0.171 115.808 115.700 -0.106 0.000 2.392 541 S HA -0.276 4.218 4.470 0.040 0.000 0.225 541 S C 1.993 176.552 174.600 -0.067 0.000 1.041 541 S CA 1.678 59.831 58.200 -0.078 0.000 1.100 541 S CB -0.630 62.524 63.200 -0.077 0.000 1.029 541 S HN 0.680 nan 8.310 nan 0.000 0.424 542 A N 0.548 123.322 122.820 -0.076 0.000 2.070 542 A HA 0.066 4.410 4.320 0.040 0.000 0.220 542 A C 1.395 178.949 177.584 -0.050 0.000 1.159 542 A CA 1.632 53.635 52.037 -0.057 0.000 0.656 542 A CB -0.577 18.389 19.000 -0.056 0.000 0.800 542 A HN 0.662 nan 8.150 nan 0.000 0.453 543 T N 0.000 114.517 114.554 -0.061 0.000 3.816 543 T HA 0.000 4.374 4.350 0.040 0.000 0.228 543 T CA 0.000 62.071 62.100 -0.048 0.000 1.349 543 T CB 0.000 68.841 68.868 -0.045 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658