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 2ha5_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 LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT 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 0.031 0.000 0.812 5 D N 6.047 126.481 120.400 0.057 0.000 2.339 5 D HA 0.210 4.873 4.640 0.039 0.000 0.241 5 D C -1.477 174.869 176.300 0.077 0.000 1.183 5 D CA -2.208 51.839 54.000 0.079 0.000 0.859 5 D CB 1.463 42.334 40.800 0.119 0.000 1.067 5 D HN 0.245 nan 8.370 nan 0.000 0.484 6 P HA -0.136 nan 4.420 nan 0.000 0.225 6 P C 1.022 178.346 177.300 0.040 0.000 1.148 6 P CA 0.681 63.803 63.100 0.037 0.000 0.779 6 P CB 0.531 32.239 31.700 0.012 0.000 0.780 7 Q N -0.372 119.446 119.800 0.029 0.000 2.291 7 Q HA 0.027 4.390 4.340 0.039 0.000 0.205 7 Q C 1.946 178.059 176.000 0.187 0.000 0.970 7 Q CA 0.911 56.724 55.803 0.017 0.000 0.876 7 Q CB -0.313 28.299 28.738 -0.210 0.000 0.935 7 Q HN 0.428 nan 8.270 nan 0.000 0.455 8 L N -0.053 121.288 121.223 0.198 0.000 2.628 8 L HA 0.225 4.588 4.340 0.039 0.000 0.229 8 L C 0.348 177.421 176.870 0.338 0.000 1.137 8 L CA -0.098 54.892 54.840 0.250 0.000 0.909 8 L CB 0.273 42.386 42.059 0.089 0.000 1.137 8 L HN -0.030 nan 8.230 nan 0.000 0.470 9 L N 0.929 122.284 121.223 0.220 0.000 2.298 9 L HA 0.514 4.878 4.340 0.039 0.000 0.284 9 L C -0.884 176.009 176.870 0.038 0.000 1.013 9 L CA -0.428 54.499 54.840 0.145 0.000 0.824 9 L CB 2.094 44.201 42.059 0.080 0.000 1.221 9 L HN -0.201 nan 8.230 nan 0.000 0.418 10 V N 3.779 123.671 119.914 -0.036 0.000 2.656 10 V HA 0.458 4.601 4.120 0.039 0.000 0.307 10 V C -0.281 175.719 176.094 -0.157 0.000 1.051 10 V CA -0.801 61.337 62.300 -0.270 0.000 0.893 10 V CB 2.259 33.613 31.823 -0.783 0.000 0.999 10 V HN 0.669 nan 8.190 nan 0.000 0.426 11 R N 3.347 123.745 120.500 -0.170 0.000 2.207 11 R HA 0.697 5.060 4.340 0.039 0.000 0.334 11 R C -0.514 175.701 176.300 -0.142 0.000 1.013 11 R CA -0.316 55.719 56.100 -0.108 0.000 0.858 11 R CB 1.315 31.556 30.300 -0.097 0.000 1.094 11 R HN 0.722 nan 8.270 nan 0.000 0.457 12 V N 1.833 121.714 119.914 -0.056 0.000 3.267 12 V HA 0.451 4.594 4.120 0.039 0.000 0.317 12 V C 1.216 177.238 176.094 -0.120 0.000 1.131 12 V CA -0.794 61.478 62.300 -0.048 0.000 1.031 12 V CB 1.596 33.536 31.823 0.194 0.000 1.159 12 V HN 0.829 nan 8.190 nan 0.000 0.454 13 R N 0.717 121.135 120.500 -0.137 0.000 2.120 13 R HA -0.022 4.341 4.340 0.039 0.000 0.234 13 R C 2.072 178.223 176.300 -0.247 0.000 1.123 13 R CA 1.583 57.586 56.100 -0.161 0.000 0.975 13 R CB -0.688 29.535 30.300 -0.128 0.000 0.866 13 R HN 0.975 nan 8.270 nan 0.000 0.446 14 G N -0.393 108.201 108.800 -0.344 0.000 2.712 14 G HA2 0.254 4.237 3.960 0.039 0.000 0.212 14 G HA3 0.254 4.237 3.960 0.039 0.000 0.212 14 G C 0.465 174.413 174.900 -1.587 0.000 1.142 14 G CA 0.577 45.184 45.100 -0.821 0.000 0.789 14 G HN 0.574 nan 8.290 nan 0.000 0.535 15 G N -1.220 106.921 108.800 -1.098 0.000 2.320 15 G HA2 0.142 4.125 3.960 0.039 0.000 0.274 15 G HA3 0.142 4.125 3.960 0.039 0.000 0.274 15 G C -1.264 173.542 174.900 -0.156 0.000 1.324 15 G CA -0.911 43.682 45.100 -0.844 0.000 0.957 15 G HN 0.266 nan 8.290 nan 0.000 0.481 16 Q N -0.396 119.487 119.800 0.139 0.000 2.235 16 Q HA 0.706 5.069 4.340 0.039 0.000 0.250 16 Q C -0.507 175.772 176.000 0.465 0.000 0.909 16 Q CA -0.299 55.658 55.803 0.257 0.000 0.910 16 Q CB 1.842 30.673 28.738 0.154 0.000 1.223 16 Q HN 0.448 nan 8.270 nan 0.000 0.432 17 L N 1.438 122.851 121.223 0.316 0.000 2.354 17 L HA 0.637 5.000 4.340 0.039 0.000 0.264 17 L C -0.518 176.508 176.870 0.261 0.000 1.008 17 L CA -0.830 54.194 54.840 0.307 0.000 0.819 17 L CB 2.186 44.453 42.059 0.346 0.000 1.339 17 L HN 0.444 nan 8.230 nan 0.000 0.420 18 R N 0.406 121.048 120.500 0.238 0.000 2.439 18 R HA 0.648 5.011 4.340 0.039 0.000 0.310 18 R C -0.235 176.177 176.300 0.187 0.000 0.955 18 R CA -0.322 55.906 56.100 0.213 0.000 0.853 18 R CB 1.729 32.095 30.300 0.109 0.000 1.171 18 R HN 0.804 nan 8.270 nan 0.000 0.449 19 G N 3.248 112.135 108.800 0.145 0.000 2.531 19 G HA2 0.470 4.453 3.960 0.039 0.000 0.281 19 G HA3 0.470 4.453 3.960 0.039 0.000 0.281 19 G C -0.958 173.758 174.900 -0.306 0.000 1.382 19 G CA -0.665 44.221 45.100 -0.357 0.000 1.045 19 G HN 0.592 nan 8.290 nan 0.000 0.533 20 I N -0.907 119.411 120.570 -0.419 0.000 2.686 20 I HA 0.487 4.680 4.170 0.039 0.000 0.295 20 I C -0.261 175.706 176.117 -0.250 0.000 1.114 20 I CA -1.097 60.046 61.300 -0.260 0.000 1.038 20 I CB 2.125 39.988 38.000 -0.229 0.000 1.238 20 I HN 0.451 nan 8.210 nan 0.000 0.420 21 R N 7.864 128.259 120.500 -0.176 0.000 2.248 21 R HA 0.501 4.865 4.340 0.039 0.000 0.328 21 R C -1.636 174.559 176.300 -0.175 0.000 1.067 21 R CA -0.316 55.669 56.100 -0.192 0.000 0.924 21 R CB 0.493 30.637 30.300 -0.261 0.000 1.013 21 R HN 0.648 nan 8.270 nan 0.000 0.454 22 L N 3.344 124.482 121.223 -0.141 0.000 2.334 22 L HA 0.442 4.805 4.340 0.039 0.000 0.270 22 L C -0.261 176.540 176.870 -0.115 0.000 1.018 22 L CA -1.121 53.657 54.840 -0.104 0.000 0.811 22 L CB 1.545 43.580 42.059 -0.040 0.000 1.271 22 L HN 0.456 nan 8.230 nan 0.000 0.443 23 K N 1.868 122.205 120.400 -0.105 0.000 2.263 23 K HA 0.637 4.980 4.320 0.039 0.000 0.272 23 K C -0.774 175.761 176.600 -0.109 0.000 1.033 23 K CA -0.163 56.064 56.287 -0.100 0.000 0.884 23 K CB 1.370 33.822 32.500 -0.080 0.000 1.107 23 K HN 0.611 nan 8.250 nan 0.000 0.460 24 A N 5.486 128.239 122.820 -0.111 0.000 2.269 24 A HA 0.533 4.877 4.320 0.039 0.000 0.319 24 A C -1.826 175.740 177.584 -0.029 0.000 1.110 24 A CA -1.740 50.217 52.037 -0.134 0.000 0.847 24 A CB 0.398 19.301 19.000 -0.162 0.000 1.161 24 A HN 0.713 nan 8.150 nan 0.000 0.497 25 P HA -0.115 nan 4.420 nan 0.000 0.216 25 P C 1.327 178.651 177.300 0.040 0.000 1.150 25 P CA 2.077 65.215 63.100 0.063 0.000 0.843 25 P CB 0.183 31.955 31.700 0.119 0.000 0.787 26 G N -2.275 106.551 108.800 0.042 0.000 2.939 26 G HA2 0.427 4.410 3.960 0.039 0.000 0.210 26 G HA3 0.427 4.410 3.960 0.039 0.000 0.210 26 G C 0.568 175.482 174.900 0.022 0.000 1.160 26 G CA 0.537 45.657 45.100 0.034 0.000 0.770 26 G HN 0.604 nan 8.290 nan 0.000 0.543 27 G N -0.638 108.166 108.800 0.007 0.000 2.341 27 G HA2 0.384 4.368 3.960 0.039 0.000 0.293 27 G HA3 0.384 4.368 3.960 0.039 0.000 0.293 27 G C -3.363 171.519 174.900 -0.030 0.000 1.298 27 G CA -0.670 44.428 45.100 -0.003 0.000 0.868 27 G HN 0.027 nan 8.290 nan 0.000 0.540 28 P HA 0.511 nan 4.420 nan 0.000 0.274 28 P C -0.087 177.205 177.300 -0.014 0.000 1.237 28 P CA -0.173 62.847 63.100 -0.133 0.000 0.793 28 P CB 1.614 33.086 31.700 -0.380 0.000 0.977 29 V N -1.795 118.112 119.914 -0.012 0.000 3.007 29 V HA 0.617 4.761 4.120 0.039 0.000 0.311 29 V C -0.396 175.770 176.094 0.120 0.000 1.120 29 V CA -0.906 61.468 62.300 0.123 0.000 0.980 29 V CB 1.784 33.687 31.823 0.134 0.000 1.033 29 V HN 0.430 nan 8.190 nan 0.000 0.429 30 S N 1.950 117.779 115.700 0.214 0.000 2.499 30 S HA 0.839 5.332 4.470 0.039 0.000 0.279 30 S C 0.079 174.629 174.600 -0.083 0.000 1.219 30 S CA 0.057 58.297 58.200 0.066 0.000 1.062 30 S CB 1.209 64.544 63.200 0.224 0.000 0.978 30 S HN 1.587 nan 8.310 nan 0.000 0.489 31 A N 2.835 125.401 122.820 -0.423 0.000 2.356 31 A HA 0.797 5.140 4.320 0.039 0.000 0.310 31 A C -1.189 175.927 177.584 -0.780 0.000 1.075 31 A CA -0.654 51.048 52.037 -0.559 0.000 0.746 31 A CB 0.451 19.118 19.000 -0.555 0.000 1.221 31 A HN 0.685 nan 8.150 nan 0.000 0.443 32 F N 2.801 122.598 119.950 -0.255 0.000 2.430 32 F HA 0.509 5.059 4.527 0.039 0.000 0.362 32 F C -0.252 175.378 175.800 -0.283 0.000 1.103 32 F CA -0.338 57.585 58.000 -0.129 0.000 1.045 32 F CB 1.332 40.427 39.000 0.157 0.000 1.276 32 F HN 0.334 nan 8.300 nan 0.000 0.444 33 L N 2.108 123.199 121.223 -0.220 0.000 2.346 33 L HA 0.741 5.104 4.340 0.039 0.000 0.274 33 L C 0.813 177.584 176.870 -0.165 0.000 1.007 33 L CA -1.074 53.567 54.840 -0.331 0.000 0.818 33 L CB 1.893 43.562 42.059 -0.650 0.000 1.284 33 L HN 0.816 nan 8.230 nan 0.000 0.424 34 G N 2.952 111.710 108.800 -0.070 0.000 2.225 34 G HA2 -0.245 3.738 3.960 0.039 0.000 0.264 34 G HA3 -0.245 3.738 3.960 0.039 0.000 0.264 34 G C -0.158 174.774 174.900 0.052 0.000 1.060 34 G CA -0.337 44.731 45.100 -0.053 0.000 0.833 34 G HN 0.473 nan 8.290 nan 0.000 0.498 35 I N 2.103 122.718 120.570 0.075 0.000 2.396 35 I HA 0.237 4.430 4.170 0.039 0.000 0.289 35 I C -1.474 174.686 176.117 0.072 0.000 1.056 35 I CA -2.180 59.140 61.300 0.034 0.000 1.365 35 I CB 1.074 39.037 38.000 -0.061 0.000 1.407 35 I HN -0.033 nan 8.210 nan 0.000 0.509 36 P HA 0.017 nan 4.420 nan 0.000 0.276 36 P C -0.149 177.063 177.300 -0.147 0.000 1.243 36 P CA 0.027 62.959 63.100 -0.280 0.000 0.768 36 P CB 0.422 31.966 31.700 -0.260 0.000 0.856 37 F N 1.544 121.323 119.950 -0.285 0.000 2.682 37 F HA 0.700 5.251 4.527 0.039 0.000 0.308 37 F C 0.117 175.907 175.800 -0.017 0.000 1.093 37 F CA -0.714 57.202 58.000 -0.141 0.000 1.244 37 F CB 0.225 39.062 39.000 -0.272 0.000 1.052 37 F HN 0.316 nan 8.300 nan 0.000 0.573 38 A N 0.111 122.607 122.820 -0.541 0.000 2.587 38 A HA 0.567 4.911 4.320 0.039 0.000 0.293 38 A C -0.813 176.593 177.584 -0.297 0.000 1.087 38 A CA -0.829 50.998 52.037 -0.350 0.000 0.692 38 A CB 0.953 19.661 19.000 -0.487 0.000 1.291 38 A HN 0.075 nan 8.150 nan 0.000 0.407 39 E N 1.200 121.310 120.200 -0.150 0.000 2.413 39 E HA 0.223 4.596 4.350 0.039 0.000 0.263 39 E C -2.301 174.193 176.600 -0.176 0.000 1.015 39 E CA -1.261 55.067 56.400 -0.120 0.000 0.916 39 E CB -0.050 29.619 29.700 -0.051 0.000 0.947 39 E HN 0.244 nan 8.360 nan 0.000 0.440 40 P HA -0.005 nan 4.420 nan 0.000 0.261 40 P C -2.253 174.979 177.300 -0.113 0.000 1.183 40 P CA -0.731 62.281 63.100 -0.147 0.000 0.761 40 P CB -0.088 31.563 31.700 -0.082 0.000 0.785 41 P HA 0.032 nan 4.420 nan 0.000 0.220 41 P C -0.407 176.830 177.300 -0.104 0.000 1.806 41 P CA 0.006 63.047 63.100 -0.097 0.000 0.976 41 P CB -0.084 31.562 31.700 -0.089 0.000 1.952 42 V N -2.516 117.343 119.914 -0.092 0.000 2.881 42 V HA 0.905 5.049 4.120 0.039 0.000 0.316 42 V C 0.963 177.008 176.094 -0.082 0.000 1.070 42 V CA 0.142 62.385 62.300 -0.096 0.000 0.976 42 V CB 0.932 32.707 31.823 -0.080 0.000 1.038 42 V HN 0.553 nan 8.190 nan 0.000 0.446 43 G N 2.938 111.687 108.800 -0.085 0.000 2.602 43 G HA2 -0.366 3.617 3.960 0.039 0.000 0.310 43 G HA3 -0.366 3.617 3.960 0.039 0.000 0.310 43 G C 1.339 176.200 174.900 -0.064 0.000 1.183 43 G CA 1.774 46.835 45.100 -0.064 0.000 0.979 43 G HN 2.377 nan 8.290 nan 0.000 0.545 44 S N 0.311 115.989 115.700 -0.037 0.000 2.474 44 S HA 0.031 4.525 4.470 0.039 0.000 0.235 44 S C 1.972 176.558 174.600 -0.023 0.000 0.997 44 S CA 1.711 59.900 58.200 -0.018 0.000 0.949 44 S CB -0.041 63.156 63.200 -0.004 0.000 0.766 44 S HN 0.585 nan 8.310 nan 0.000 0.517 45 R N 1.201 121.674 120.500 -0.045 0.000 2.310 45 R HA 0.241 4.604 4.340 0.039 0.000 0.202 45 R C 0.821 177.071 176.300 -0.084 0.000 0.933 45 R CA -0.095 55.978 56.100 -0.044 0.000 1.054 45 R CB -0.432 29.842 30.300 -0.044 0.000 0.985 45 R HN 0.525 nan 8.270 nan 0.000 0.489 46 R N 0.651 121.051 120.500 -0.167 0.000 2.570 46 R HA -0.105 4.258 4.340 0.039 0.000 0.277 46 R C -0.195 175.883 176.300 -0.370 0.000 1.039 46 R CA 0.407 56.277 56.100 -0.383 0.000 1.065 46 R CB 0.105 30.039 30.300 -0.610 0.000 0.964 46 R HN 0.058 nan 8.270 nan 0.000 0.428 47 F N -0.547 119.410 119.950 0.012 0.000 2.748 47 F HA -0.288 4.262 4.527 0.039 0.000 0.370 47 F C 0.008 175.793 175.800 -0.025 0.000 0.620 47 F CA 0.530 58.514 58.000 -0.028 0.000 1.233 47 F CB -1.466 37.507 39.000 -0.045 0.000 1.708 47 F HN 0.456 nan 8.300 nan 0.000 0.298 48 M N 0.915 120.579 119.600 0.105 0.000 2.409 48 M HA 0.411 4.914 4.480 0.039 0.000 0.329 48 M C -1.883 174.444 176.300 0.045 0.000 1.180 48 M CA -1.685 53.658 55.300 0.071 0.000 1.053 48 M CB 0.594 33.221 32.600 0.046 0.000 1.586 48 M HN -0.357 nan 8.290 nan 0.000 0.461 49 P HA 0.052 nan 4.420 nan 0.000 0.266 49 P C -2.409 174.917 177.300 0.044 0.000 1.193 49 P CA -0.393 62.737 63.100 0.052 0.000 0.770 49 P CB -0.496 31.243 31.700 0.065 0.000 0.836 50 P HA 0.157 nan 4.420 nan 0.000 0.275 50 P C -0.637 176.694 177.300 0.051 0.000 1.227 50 P CA 0.114 63.239 63.100 0.040 0.000 0.781 50 P CB 0.893 32.641 31.700 0.080 0.000 0.906 51 E N 3.367 123.582 120.200 0.024 0.000 2.202 51 E HA 0.388 4.761 4.350 0.039 0.000 0.272 51 E C -2.269 174.360 176.600 0.049 0.000 0.951 51 E CA -2.370 54.053 56.400 0.040 0.000 0.813 51 E CB 0.425 30.140 29.700 0.024 0.000 1.151 51 E HN 0.353 nan 8.360 nan 0.000 0.398 52 P HA -0.056 nan 4.420 nan 0.000 0.266 52 P C -0.722 176.637 177.300 0.098 0.000 1.195 52 P CA -0.162 63.010 63.100 0.119 0.000 0.768 52 P CB 0.411 32.187 31.700 0.128 0.000 0.838 53 K N 3.809 124.286 120.400 0.129 0.000 2.447 53 K HA 0.037 4.380 4.320 0.039 0.000 0.281 53 K C 0.051 176.761 176.600 0.185 0.000 1.031 53 K CA 0.372 56.741 56.287 0.137 0.000 1.019 53 K CB 0.085 32.701 32.500 0.194 0.000 0.918 53 K HN 0.271 nan 8.250 nan 0.000 0.476 54 R N 5.051 125.642 120.500 0.152 0.000 2.643 54 R HA 0.140 4.504 4.340 0.039 0.000 0.270 54 R C -1.957 174.474 176.300 0.218 0.000 1.061 54 R CA -1.513 54.672 56.100 0.142 0.000 1.107 54 R CB -0.033 30.331 30.300 0.106 0.000 0.999 54 R HN 0.579 nan 8.270 nan 0.000 0.460 55 P HA -0.017 nan 4.420 nan 0.000 0.271 55 P C -1.259 176.110 177.300 0.115 0.000 1.233 55 P CA -0.105 62.963 63.100 -0.053 0.000 0.789 55 P CB 0.349 31.950 31.700 -0.165 0.000 0.951 56 W N -0.310 121.022 121.300 0.054 0.000 2.962 56 W HA 0.671 5.354 4.660 0.039 0.000 0.341 56 W C -0.721 175.822 176.519 0.041 0.000 1.155 56 W CA -1.005 56.369 57.345 0.049 0.000 1.165 56 W CB 0.074 29.571 29.460 0.062 0.000 1.435 56 W HN 0.382 nan 8.180 nan 0.000 0.546 57 S N 1.743 117.600 115.700 0.262 0.000 2.632 57 S HA 0.761 5.254 4.470 0.039 0.000 0.271 57 S C 0.731 175.470 174.600 0.231 0.000 1.260 57 S CA 0.181 58.474 58.200 0.155 0.000 1.010 57 S CB 0.742 64.009 63.200 0.111 0.000 0.965 57 S HN 2.179 nan 8.310 nan 0.000 0.534 58 G N 0.215 109.102 108.800 0.144 0.000 2.575 58 G HA2 -0.193 3.790 3.960 0.039 0.000 0.267 58 G HA3 -0.193 3.790 3.960 0.039 0.000 0.267 58 G C -0.524 174.508 174.900 0.220 0.000 1.264 58 G CA -0.120 45.068 45.100 0.145 0.000 0.935 58 G HN 1.698 nan 8.290 nan 0.000 0.568 59 V N 0.744 120.769 119.914 0.185 0.000 2.357 59 V HA 0.530 4.673 4.120 0.039 0.000 0.284 59 V C 0.403 176.595 176.094 0.163 0.000 1.018 59 V CA -0.504 61.914 62.300 0.197 0.000 0.841 59 V CB 1.215 33.114 31.823 0.126 0.000 0.991 59 V HN 0.806 nan 8.190 nan 0.000 0.437 60 L N 4.413 125.744 121.223 0.181 0.000 2.319 60 L HA 0.404 4.768 4.340 0.039 0.000 0.280 60 L C 0.278 177.142 176.870 -0.010 0.000 1.099 60 L CA 0.159 54.970 54.840 -0.048 0.000 0.828 60 L CB 0.914 42.705 42.059 -0.447 0.000 1.150 60 L HN 0.749 nan 8.230 nan 0.000 0.442 61 D N 4.534 124.908 120.400 -0.044 0.000 2.342 61 D HA 0.304 4.967 4.640 0.039 0.000 0.260 61 D C -0.142 176.123 176.300 -0.057 0.000 1.278 61 D CA 0.307 54.286 54.000 -0.035 0.000 0.910 61 D CB 0.799 41.569 40.800 -0.051 0.000 1.079 61 D HN 0.632 nan 8.370 nan 0.000 0.496 62 A N 3.349 126.161 122.820 -0.013 0.000 3.154 62 A HA 0.286 4.629 4.320 0.039 0.000 0.310 62 A C 1.081 178.602 177.584 -0.105 0.000 1.093 62 A CA -0.217 51.806 52.037 -0.023 0.000 1.006 62 A CB -0.263 18.812 19.000 0.125 0.000 1.084 62 A HN 0.566 nan 8.150 nan 0.000 0.549 63 T N -3.230 111.237 114.554 -0.145 0.000 3.001 63 T HA 0.237 4.610 4.350 0.039 0.000 0.251 63 T C 0.738 175.288 174.700 -0.249 0.000 1.040 63 T CA 0.821 62.804 62.100 -0.196 0.000 0.985 63 T CB -0.177 68.607 68.868 -0.139 0.000 1.011 63 T HN 0.666 nan 8.240 nan 0.000 0.509 64 T N -0.448 113.960 114.554 -0.243 0.000 2.903 64 T HA 0.701 5.075 4.350 0.039 0.000 0.299 64 T C -0.819 173.730 174.700 -0.252 0.000 1.093 64 T CA -0.907 61.045 62.100 -0.247 0.000 1.002 64 T CB 1.126 69.912 68.868 -0.136 0.000 1.127 64 T HN -0.005 nan 8.240 nan 0.000 0.488 65 F N 1.976 121.860 119.950 -0.111 0.000 2.506 65 F HA 0.332 4.882 4.527 0.039 0.000 0.351 65 F C 1.460 177.169 175.800 -0.151 0.000 1.136 65 F CA -0.171 57.767 58.000 -0.105 0.000 1.298 65 F CB 0.533 39.499 39.000 -0.057 0.000 1.145 65 F HN 0.485 nan 8.300 nan 0.000 0.593 66 Q N 1.419 121.238 119.800 0.031 0.000 2.189 66 Q HA 0.200 4.563 4.340 0.039 0.000 0.193 66 Q C -0.130 175.817 176.000 -0.089 0.000 1.034 66 Q CA -0.638 55.050 55.803 -0.192 0.000 1.062 66 Q CB 0.521 28.916 28.738 -0.572 0.000 1.118 66 Q HN 0.525 nan 8.270 nan 0.000 0.569 67 N N -0.308 118.314 118.700 -0.130 0.000 2.416 67 N HA 0.037 4.800 4.740 0.039 0.000 0.246 67 N C -0.548 174.949 175.510 -0.022 0.000 1.260 67 N CA 0.073 53.086 53.050 -0.062 0.000 0.897 67 N CB 0.431 38.889 38.487 -0.048 0.000 1.110 67 N HN 0.168 nan 8.380 nan 0.000 0.439 68 V N 1.454 121.335 119.914 -0.054 0.000 2.546 68 V HA 0.079 4.222 4.120 0.039 0.000 0.284 68 V C 0.646 176.709 176.094 -0.052 0.000 1.050 68 V CA -0.827 61.431 62.300 -0.070 0.000 0.981 68 V CB 0.960 32.705 31.823 -0.130 0.000 0.990 68 V HN 0.701 nan 8.190 nan 0.000 0.474 69 c N 4.461 123.047 118.600 -0.023 0.000 2.611 69 c HA 0.076 4.669 4.570 0.039 0.000 0.416 69 c C 0.519 174.587 174.090 -0.038 0.000 1.366 69 c CA -0.510 55.814 56.329 -0.007 0.000 1.761 69 c CB -1.101 41.432 42.510 0.039 0.000 2.619 69 c HN 0.759 nan 8.230 nan 0.000 0.606 70 Y N 4.121 124.304 120.300 -0.195 0.000 2.717 70 Y HA 0.252 4.825 4.550 0.039 0.000 0.330 70 Y C 0.748 176.654 175.900 0.010 0.000 1.217 70 Y CA 1.066 59.037 58.100 -0.215 0.000 1.506 70 Y CB 0.179 38.303 38.460 -0.561 0.000 1.268 70 Y HN 0.766 nan 8.280 nan 0.000 0.561 71 Q N 4.185 123.903 119.800 -0.137 0.000 2.633 71 Q HA 0.209 4.572 4.340 0.039 0.000 0.289 71 Q C -1.848 174.249 176.000 0.161 0.000 0.940 71 Q CA -1.207 54.698 55.803 0.171 0.000 0.785 71 Q CB 1.188 30.009 28.738 0.138 0.000 1.467 71 Q HN 0.684 nan 8.270 nan 0.000 0.401 72 Y N 1.205 121.662 120.300 0.262 0.000 2.610 72 Y HA 0.329 4.902 4.550 0.039 0.000 0.332 72 Y C -0.940 175.104 175.900 0.239 0.000 1.201 72 Y CA 0.274 58.551 58.100 0.294 0.000 1.465 72 Y CB 0.839 39.579 38.460 0.467 0.000 1.283 72 Y HN 0.430 nan 8.280 nan 0.000 0.563 73 V N 6.870 126.499 119.914 -0.475 0.000 2.398 73 V HA 0.107 4.250 4.120 0.039 0.000 0.286 73 V C -0.379 175.335 176.094 -0.635 0.000 1.026 73 V CA -1.040 61.037 62.300 -0.372 0.000 0.868 73 V CB 1.492 33.177 31.823 -0.229 0.000 0.982 73 V HN 0.795 nan 8.190 nan 0.000 0.443 74 D N 2.845 123.127 120.400 -0.197 0.000 2.414 74 D HA 0.236 4.899 4.640 0.039 0.000 0.242 74 D C 1.019 177.322 176.300 0.006 0.000 1.129 74 D CA 0.742 54.757 54.000 0.025 0.000 0.885 74 D CB 1.194 42.179 40.800 0.308 0.000 1.198 74 D HN 0.804 nan 8.370 nan 0.000 0.437 75 T N 0.740 115.326 114.554 0.053 0.000 3.058 75 T HA 0.027 4.401 4.350 0.039 0.000 0.278 75 T C 1.468 176.172 174.700 0.007 0.000 0.974 75 T CA -0.447 61.669 62.100 0.026 0.000 0.893 75 T CB -0.075 68.796 68.868 0.005 0.000 1.138 75 T HN 0.269 nan 8.240 nan 0.000 0.529 76 L N 0.871 122.088 121.223 -0.009 0.000 2.042 76 L HA 0.166 4.529 4.340 0.039 0.000 0.210 76 L C -0.238 176.344 176.870 -0.479 0.000 1.076 76 L CA 1.658 56.305 54.840 -0.322 0.000 0.749 76 L CB -0.402 41.325 42.059 -0.553 0.000 0.893 76 L HN 0.430 nan 8.230 nan 0.000 0.432 77 Y N -0.537 119.792 120.300 0.047 0.000 2.662 77 Y HA 0.415 4.989 4.550 0.039 0.000 0.358 77 Y C -2.240 173.702 175.900 0.070 0.000 1.041 77 Y CA -3.685 54.422 58.100 0.012 0.000 1.184 77 Y CB -0.166 38.263 38.460 -0.050 0.000 1.114 77 Y HN 0.050 nan 8.280 nan 0.000 0.650 78 P HA 0.143 nan 4.420 nan 0.000 0.263 78 P C 1.040 178.398 177.300 0.097 0.000 1.195 78 P CA 1.433 64.591 63.100 0.097 0.000 0.762 78 P CB 0.755 32.485 31.700 0.051 0.000 0.799 79 G N 2.519 111.361 108.800 0.070 0.000 2.199 79 G HA2 -0.286 3.697 3.960 0.039 0.000 0.254 79 G HA3 -0.286 3.697 3.960 0.039 0.000 0.254 79 G C -0.070 174.860 174.900 0.050 0.000 0.982 79 G CA -0.384 44.737 45.100 0.035 0.000 0.632 79 G HN 0.542 nan 8.290 nan 0.000 0.529 80 F N 2.286 122.189 119.950 -0.077 0.000 2.445 80 F HA 0.550 5.100 4.527 0.038 0.000 0.359 80 F C 1.374 177.065 175.800 -0.183 0.000 1.101 80 F CA -0.358 57.541 58.000 -0.168 0.000 1.177 80 F CB 1.075 39.942 39.000 -0.222 0.000 1.110 80 F HN 0.253 nan 8.300 nan 0.000 0.522 81 E N 3.917 123.647 120.200 -0.783 0.000 2.118 81 E HA -0.157 4.216 4.350 0.039 0.000 0.195 81 E C 2.026 178.092 176.600 -0.890 0.000 0.992 81 E CA 1.510 57.483 56.400 -0.710 0.000 0.804 81 E CB -0.349 29.016 29.700 -0.558 0.000 0.741 81 E HN 0.987 nan 8.360 nan 0.000 0.458 82 G N -0.164 107.572 108.800 -1.773 0.000 2.432 82 G HA2 -0.297 3.686 3.960 0.039 0.000 0.219 82 G HA3 -0.297 3.686 3.960 0.039 0.000 0.219 82 G C 1.673 176.577 174.900 0.007 0.000 1.135 82 G CA 1.540 45.978 45.100 -1.104 0.000 0.767 82 G HN 0.490 nan 8.290 nan 0.000 0.550 83 T N -1.979 112.560 114.554 -0.026 0.000 3.021 83 T HA 0.133 4.506 4.350 0.039 0.000 0.245 83 T C 1.899 176.769 174.700 0.283 0.000 1.028 83 T CA 0.754 63.169 62.100 0.526 0.000 1.139 83 T CB 0.043 69.279 68.868 0.613 0.000 0.884 83 T HN 0.131 nan 8.240 nan 0.000 0.457 84 E N 2.081 122.286 120.200 0.008 0.000 2.274 84 E HA -0.022 4.351 4.350 0.039 0.000 0.194 84 E C 2.211 178.706 176.600 -0.175 0.000 0.996 84 E CA 0.984 57.352 56.400 -0.054 0.000 0.840 84 E CB -0.403 29.236 29.700 -0.102 0.000 0.772 84 E HN 0.788 nan 8.360 nan 0.000 0.491 85 M N -2.384 117.005 119.600 -0.352 0.000 2.446 85 M HA -0.052 4.451 4.480 0.039 0.000 0.263 85 M C 1.181 177.066 176.300 -0.691 0.000 1.066 85 M CA 1.346 56.291 55.300 -0.592 0.000 1.087 85 M CB -0.492 31.623 32.600 -0.808 0.000 1.406 85 M HN 0.001 nan 8.290 nan 0.000 0.459 86 W N 0.707 121.946 121.300 -0.101 0.000 3.107 86 W HA 0.292 4.975 4.660 0.038 0.000 0.293 86 W C 0.420 176.872 176.519 -0.113 0.000 1.239 86 W CA -1.004 56.270 57.345 -0.119 0.000 1.653 86 W CB -0.034 29.408 29.460 -0.030 0.000 1.068 86 W HN 0.094 nan 8.180 nan 0.000 0.615 87 N N 1.503 120.250 118.700 0.079 0.000 2.467 87 N HA 0.146 4.910 4.740 0.039 0.000 0.262 87 N C -2.432 173.031 175.510 -0.078 0.000 1.234 87 N CA -1.508 51.550 53.050 0.014 0.000 0.952 87 N CB -0.095 38.394 38.487 0.003 0.000 1.158 87 N HN -0.341 nan 8.380 nan 0.000 0.463 88 P HA 0.060 nan 4.420 nan 0.000 0.265 88 P C 0.178 177.396 177.300 -0.137 0.000 1.193 88 P CA 0.071 63.089 63.100 -0.137 0.000 0.765 88 P CB 0.315 31.928 31.700 -0.144 0.000 0.823 89 N N 2.195 120.800 118.700 -0.158 0.000 2.200 89 N HA 0.079 4.843 4.740 0.039 0.000 0.224 89 N C 0.078 175.517 175.510 -0.118 0.000 1.179 89 N CA -0.017 52.946 53.050 -0.145 0.000 0.877 89 N CB 0.442 38.823 38.487 -0.176 0.000 1.072 89 N HN 0.152 nan 8.380 nan 0.000 0.519 90 R N 0.159 120.590 120.500 -0.115 0.000 2.855 90 R HA 0.334 4.697 4.340 0.039 0.000 0.266 90 R C -0.234 176.013 176.300 -0.087 0.000 1.034 90 R CA -0.623 55.427 56.100 -0.084 0.000 0.944 90 R CB 0.830 31.089 30.300 -0.068 0.000 1.219 90 R HN 0.104 nan 8.270 nan 0.000 0.474 91 E N 1.518 121.676 120.200 -0.070 0.000 2.442 91 E HA 0.025 4.398 4.350 0.039 0.000 0.262 91 E C 0.021 176.574 176.600 -0.077 0.000 1.004 91 E CA 0.209 56.569 56.400 -0.067 0.000 0.928 91 E CB 0.515 30.188 29.700 -0.046 0.000 0.937 91 E HN 0.272 nan 8.360 nan 0.000 0.446 92 L N 1.842 123.006 121.223 -0.098 0.000 2.380 92 L HA 0.185 4.549 4.340 0.039 0.000 0.273 92 L C 0.707 177.589 176.870 0.020 0.000 1.138 92 L CA 0.161 54.923 54.840 -0.130 0.000 0.832 92 L CB 0.837 42.662 42.059 -0.390 0.000 1.124 92 L HN 0.367 nan 8.230 nan 0.000 0.454 93 S N 0.823 116.549 115.700 0.044 0.000 2.547 93 S HA 0.212 4.705 4.470 0.039 0.000 0.270 93 S C 0.247 174.847 174.600 -0.001 0.000 1.150 93 S CA -0.665 57.572 58.200 0.061 0.000 0.850 93 S CB 1.601 64.811 63.200 0.016 0.000 1.118 93 S HN 0.736 nan 8.310 nan 0.000 0.461 94 E N 0.923 121.067 120.200 -0.094 0.000 2.274 94 E HA -0.063 4.310 4.350 0.039 0.000 0.194 94 E C -0.281 176.265 176.600 -0.090 0.000 0.996 94 E CA 0.454 56.745 56.400 -0.182 0.000 0.840 94 E CB 0.103 29.636 29.700 -0.278 0.000 0.772 94 E HN 0.518 nan 8.360 nan 0.000 0.491 95 D N 0.531 120.910 120.400 -0.035 0.000 2.470 95 D HA -0.012 4.651 4.640 0.039 0.000 0.226 95 D C 0.016 176.403 176.300 0.145 0.000 1.196 95 D CA -0.214 53.802 54.000 0.027 0.000 0.979 95 D CB -0.048 40.779 40.800 0.044 0.000 1.059 95 D HN 0.155 nan 8.370 nan 0.000 0.515 96 c N 2.353 121.017 118.600 0.105 0.000 3.865 96 c HA 0.373 4.966 4.570 0.039 0.000 0.297 96 c C 0.629 174.812 174.090 0.156 0.000 1.758 96 c CA -0.680 55.775 56.329 0.210 0.000 1.778 96 c CB -1.217 41.350 42.510 0.096 0.000 3.158 96 c HN 0.424 nan 8.230 nan 0.000 0.598 97 L N 2.536 123.599 121.223 -0.265 0.000 2.399 97 L HA 0.418 4.782 4.340 0.039 0.000 0.257 97 L C -0.967 175.300 176.870 -1.004 0.000 1.236 97 L CA 0.450 54.918 54.840 -0.621 0.000 1.144 97 L CB -0.606 40.935 42.059 -0.863 0.000 1.379 97 L HN 0.404 nan 8.230 nan 0.000 0.414 98 Y N 1.734 122.025 120.300 -0.015 0.000 2.576 98 Y HA 0.641 5.214 4.550 0.039 0.000 0.346 98 Y C -0.078 175.993 175.900 0.285 0.000 1.018 98 Y CA -1.226 56.930 58.100 0.093 0.000 1.050 98 Y CB 2.027 40.490 38.460 0.004 0.000 1.280 98 Y HN 0.193 nan 8.280 nan 0.000 0.474 99 L N -0.216 121.169 121.223 0.269 0.000 2.303 99 L HA 0.791 5.154 4.340 0.039 0.000 0.256 99 L C -1.354 175.509 176.870 -0.012 0.000 1.034 99 L CA -1.140 53.745 54.840 0.076 0.000 0.832 99 L CB 1.789 43.735 42.059 -0.188 0.000 1.403 99 L HN 0.465 nan 8.230 nan 0.000 0.419 100 N N 0.150 118.844 118.700 -0.010 0.000 2.258 100 N HA 0.702 5.466 4.740 0.039 0.000 0.299 100 N C -1.537 173.879 175.510 -0.157 0.000 1.047 100 N CA -0.384 52.581 53.050 -0.140 0.000 0.814 100 N CB 2.832 41.251 38.487 -0.113 0.000 1.413 100 N HN 0.518 nan 8.380 nan 0.000 0.478 101 V N 1.685 121.447 119.914 -0.254 0.000 2.531 101 V HA 0.463 4.606 4.120 0.039 0.000 0.301 101 V C -0.705 175.349 176.094 -0.066 0.000 1.034 101 V CA -0.810 61.438 62.300 -0.087 0.000 0.865 101 V CB 2.048 33.705 31.823 -0.278 0.000 0.995 101 V HN 0.533 nan 8.190 nan 0.000 0.424 102 W N 2.992 124.396 121.300 0.173 0.000 2.520 102 W HA 0.668 5.351 4.660 0.039 0.000 0.323 102 W C 0.290 176.929 176.519 0.201 0.000 1.062 102 W CA -0.413 57.036 57.345 0.173 0.000 1.215 102 W CB 2.365 31.900 29.460 0.125 0.000 1.340 102 W HN 0.653 nan 8.180 nan 0.000 0.516 103 T N 0.157 114.977 114.554 0.442 0.000 2.887 103 T HA 0.552 4.925 4.350 0.039 0.000 0.292 103 T C -2.793 172.085 174.700 0.297 0.000 1.087 103 T CA -2.481 59.832 62.100 0.355 0.000 1.009 103 T CB 2.204 71.304 68.868 0.387 0.000 1.203 103 T HN -0.077 nan 8.240 nan 0.000 0.518 104 P HA 0.206 nan 4.420 nan 0.000 0.269 104 P C -1.601 175.841 177.300 0.236 0.000 1.217 104 P CA -0.115 63.104 63.100 0.199 0.000 0.783 104 P CB 0.054 31.840 31.700 0.143 0.000 0.898 105 Y N 2.870 123.224 120.300 0.090 0.000 2.326 105 Y HA 0.421 4.994 4.550 0.039 0.000 0.329 105 Y C -2.194 173.740 175.900 0.056 0.000 0.973 105 Y CA -2.488 55.657 58.100 0.075 0.000 1.162 105 Y CB 1.158 39.648 38.460 0.051 0.000 1.147 105 Y HN 0.336 nan 8.280 nan 0.000 0.456 106 P HA 0.159 nan 4.420 nan 0.000 0.272 106 P C -1.024 176.220 177.300 -0.093 0.000 1.240 106 P CA -0.499 62.388 63.100 -0.355 0.000 0.791 106 P CB 0.962 32.510 31.700 -0.253 0.000 0.978 107 R N 0.916 121.378 120.500 -0.065 0.000 2.694 107 R HA 0.273 4.636 4.340 0.039 0.000 0.268 107 R C -2.184 174.140 176.300 0.040 0.000 1.061 107 R CA -1.250 54.881 56.100 0.052 0.000 1.133 107 R CB -1.331 29.021 30.300 0.087 0.000 1.020 107 R HN 0.267 nan 8.270 nan 0.000 0.475 108 P HA -0.054 nan 4.420 nan 0.000 0.262 108 P C -0.229 177.089 177.300 0.030 0.000 1.182 108 P CA 0.489 63.622 63.100 0.054 0.000 0.761 108 P CB 0.923 32.666 31.700 0.072 0.000 0.795 109 A N 2.643 125.474 122.820 0.018 0.000 2.066 109 A HA 0.048 4.392 4.320 0.039 0.000 0.218 109 A C 0.832 178.420 177.584 0.007 0.000 1.157 109 A CA 1.298 53.340 52.037 0.007 0.000 0.670 109 A CB -0.459 18.543 19.000 0.004 0.000 0.804 109 A HN 0.610 nan 8.150 nan 0.000 0.453 110 S N -1.723 113.986 115.700 0.014 0.000 2.595 110 S HA 0.630 5.123 4.470 0.039 0.000 0.281 110 S C -3.365 171.246 174.600 0.018 0.000 1.117 110 S CA -1.865 56.341 58.200 0.010 0.000 0.873 110 S CB 1.309 64.513 63.200 0.006 0.000 1.108 110 S HN -0.056 nan 8.310 nan 0.000 0.477 111 P HA 0.234 nan 4.420 nan 0.000 0.262 111 P C -0.715 176.596 177.300 0.018 0.000 1.199 111 P CA 0.333 63.443 63.100 0.017 0.000 0.763 111 P CB 0.101 31.802 31.700 0.002 0.000 0.790 112 T N 5.662 120.238 114.554 0.036 0.000 2.823 112 T HA 0.413 4.786 4.350 0.039 0.000 0.279 112 T C -2.474 172.247 174.700 0.035 0.000 0.998 112 T CA -1.900 60.223 62.100 0.038 0.000 0.994 112 T CB 0.987 69.893 68.868 0.063 0.000 0.960 112 T HN 0.124 nan 8.240 nan 0.000 0.448 113 P HA 0.121 nan 4.420 nan 0.000 0.264 113 P C -0.884 176.442 177.300 0.043 0.000 1.183 113 P CA -0.156 62.948 63.100 0.005 0.000 0.763 113 P CB 0.371 32.058 31.700 -0.021 0.000 0.807 114 V N 5.146 125.097 119.914 0.063 0.000 2.483 114 V HA 0.345 4.488 4.120 0.039 0.000 0.295 114 V C 0.302 176.467 176.094 0.117 0.000 1.035 114 V CA -0.537 61.829 62.300 0.109 0.000 0.896 114 V CB 1.372 33.276 31.823 0.134 0.000 0.986 114 V HN 0.356 nan 8.190 nan 0.000 0.447 115 L N 5.547 126.857 121.223 0.144 0.000 2.313 115 L HA 0.598 4.961 4.340 0.039 0.000 0.283 115 L C -0.681 176.422 176.870 0.389 0.000 1.013 115 L CA -0.342 54.601 54.840 0.171 0.000 0.816 115 L CB 1.730 43.759 42.059 -0.051 0.000 1.236 115 L HN 0.502 nan 8.230 nan 0.000 0.419 116 I N 3.054 123.892 120.570 0.447 0.000 2.355 116 I HA 0.197 4.390 4.170 0.039 0.000 0.288 116 I C -0.570 175.849 176.117 0.503 0.000 0.999 116 I CA -0.380 61.167 61.300 0.412 0.000 1.163 116 I CB 1.256 39.370 38.000 0.191 0.000 1.316 116 I HN 0.622 nan 8.210 nan 0.000 0.454 117 W N 8.603 130.032 121.300 0.215 0.000 2.322 117 W HA 0.531 5.214 4.660 0.038 0.000 0.307 117 W C -1.421 175.009 176.519 -0.148 0.000 1.220 117 W CA -0.599 56.631 57.345 -0.192 0.000 1.210 117 W CB 1.084 30.453 29.460 -0.152 0.000 1.223 117 W HN 0.358 nan 8.180 nan 0.000 0.511 118 I N 9.208 129.168 120.570 -1.016 0.000 2.382 118 I HA 0.076 4.269 4.170 0.039 0.000 0.285 118 I C -0.178 175.147 176.117 -1.320 0.000 1.007 118 I CA -1.116 59.640 61.300 -0.906 0.000 1.142 118 I CB 0.601 38.239 38.000 -0.603 0.000 1.289 118 I HN 0.296 nan 8.210 nan 0.000 0.453 119 Y N 4.625 124.435 120.300 -0.817 0.000 2.426 119 Y HA 0.679 5.252 4.550 0.039 0.000 0.344 119 Y C 0.745 176.447 175.900 -0.330 0.000 1.256 119 Y CA -0.839 56.888 58.100 -0.623 0.000 1.451 119 Y CB -0.044 38.260 38.460 -0.261 0.000 1.342 119 Y HN 0.519 nan 8.280 nan 0.000 0.600 120 G N -0.967 107.815 108.800 -0.030 0.000 2.671 120 G HA2 0.499 4.482 3.960 0.039 0.000 0.275 120 G HA3 0.499 4.482 3.960 0.039 0.000 0.275 120 G C 0.247 175.066 174.900 -0.134 0.000 1.368 120 G CA -0.950 44.066 45.100 -0.141 0.000 1.044 120 G HN 1.707 nan 8.290 nan 0.000 0.543 121 G N -2.865 105.694 108.800 -0.402 0.000 2.207 121 G HA2 0.411 4.394 3.960 0.039 0.000 0.193 121 G HA3 0.411 4.394 3.960 0.039 0.000 0.193 121 G C 1.016 175.332 174.900 -0.973 0.000 1.050 121 G CA 0.747 45.481 45.100 -0.610 0.000 0.780 121 G HN 2.356 nan 8.290 nan 0.000 0.504 122 G N -0.489 107.728 108.800 -0.972 0.000 2.168 122 G HA2 -0.127 3.857 3.960 0.039 0.000 0.257 122 G HA3 -0.127 3.857 3.960 0.039 0.000 0.257 122 G C 0.889 175.489 174.900 -0.501 0.000 0.997 122 G CA 0.685 44.946 45.100 -1.399 0.000 0.708 122 G HN 1.751 nan 8.290 nan 0.000 0.520 123 F N -3.106 116.698 119.950 -0.242 0.000 2.973 123 F HA -0.322 4.228 4.527 0.039 0.000 0.299 123 F C 1.449 177.338 175.800 0.148 0.000 0.737 123 F CA 2.216 60.209 58.000 -0.012 0.000 1.151 123 F CB -2.089 36.771 39.000 -0.234 0.000 1.440 123 F HN 0.939 nan 8.300 nan 0.000 0.367 124 Y N -1.141 119.245 120.300 0.143 0.000 2.453 124 Y HA 0.645 5.218 4.550 0.038 0.000 0.247 124 Y C 0.577 176.588 175.900 0.186 0.000 1.124 124 Y CA 0.186 58.392 58.100 0.178 0.000 1.243 124 Y CB -0.000 38.508 38.460 0.080 0.000 1.213 124 Y HN 0.087 nan 8.280 nan 0.000 0.523 125 S N -0.854 114.676 115.700 -0.284 0.000 2.672 125 S HA 0.871 5.365 4.470 0.039 0.000 0.271 125 S C -0.197 174.255 174.600 -0.246 0.000 1.171 125 S CA -0.498 57.567 58.200 -0.225 0.000 0.817 125 S CB 1.467 64.458 63.200 -0.348 0.000 1.150 125 S HN 1.382 nan 8.310 nan 0.000 0.478 126 G N -0.690 107.927 108.800 -0.304 0.000 2.459 126 G HA2 0.550 4.533 3.960 0.039 0.000 0.685 126 G HA3 0.550 4.533 3.960 0.039 0.000 0.685 126 G C -0.678 173.607 174.900 -1.024 0.000 1.303 126 G CA -0.234 44.502 45.100 -0.607 0.000 0.907 126 G HN 2.240 nan 8.290 nan 0.000 0.632 127 A N -1.001 121.096 122.820 -1.205 0.000 2.594 127 A HA 0.993 5.336 4.320 0.039 0.000 0.296 127 A C 0.572 177.967 177.584 -0.316 0.000 1.061 127 A CA 0.634 52.207 52.037 -0.773 0.000 0.689 127 A CB 0.926 19.709 19.000 -0.363 0.000 1.280 127 A HN 2.587 nan 8.150 nan 0.000 0.406 128 A N 0.525 123.371 122.820 0.043 0.000 2.206 128 A HA 0.249 4.592 4.320 0.039 0.000 0.211 128 A C 1.646 179.250 177.584 0.033 0.000 1.158 128 A CA 1.727 53.950 52.037 0.310 0.000 0.761 128 A CB -0.554 18.703 19.000 0.428 0.000 0.801 128 A HN 1.785 nan 8.150 nan 0.000 0.473 129 S N -0.455 115.030 115.700 -0.358 0.000 2.575 129 S HA 0.328 4.821 4.470 0.039 0.000 0.215 129 S C 0.450 174.665 174.600 -0.641 0.000 0.966 129 S CA -0.441 57.131 58.200 -1.046 0.000 0.911 129 S CB -0.558 62.000 63.200 -1.069 0.000 0.780 129 S HN 0.388 nan 8.310 nan 0.000 0.514 130 L N 2.089 123.074 121.223 -0.396 0.000 2.461 130 L HA 0.196 4.560 4.340 0.039 0.000 0.272 130 L C 1.094 177.651 176.870 -0.522 0.000 1.197 130 L CA -0.506 54.034 54.840 -0.500 0.000 0.836 130 L CB 0.239 41.885 42.059 -0.689 0.000 1.105 130 L HN 0.050 nan 8.230 nan 0.000 0.477 131 D N 1.030 121.158 120.400 -0.453 0.000 2.182 131 D HA -0.146 4.518 4.640 0.039 0.000 0.201 131 D C 1.948 177.991 176.300 -0.429 0.000 0.986 131 D CA 1.230 55.026 54.000 -0.339 0.000 0.847 131 D CB 0.002 40.635 40.800 -0.278 0.000 0.942 131 D HN 0.515 nan 8.370 nan 0.000 0.467 132 V N -1.595 117.917 119.914 -0.670 0.000 3.141 132 V HA -0.125 4.018 4.120 0.039 0.000 0.265 132 V C 0.979 176.505 176.094 -0.947 0.000 1.126 132 V CA 0.951 62.828 62.300 -0.706 0.000 1.141 132 V CB -1.082 30.302 31.823 -0.731 0.000 0.743 132 V HN 0.068 nan 8.190 nan 0.000 0.492 133 Y N 0.200 119.938 120.300 -0.937 0.000 2.571 133 Y HA 0.443 5.016 4.550 0.039 0.000 0.275 133 Y C 0.831 176.112 175.900 -1.031 0.000 1.179 133 Y CA -1.942 55.206 58.100 -1.586 0.000 1.242 133 Y CB -0.735 37.188 38.460 -0.894 0.000 1.126 133 Y HN 0.242 nan 8.280 nan 0.000 0.524 134 D N 0.949 121.043 120.400 -0.511 0.000 2.368 134 D HA 0.037 4.700 4.640 0.039 0.000 0.268 134 D C 1.397 177.393 176.300 -0.508 0.000 1.298 134 D CA 0.414 54.205 54.000 -0.349 0.000 0.938 134 D CB 1.061 41.805 40.800 -0.093 0.000 1.101 134 D HN 0.465 nan 8.370 nan 0.000 0.509 135 G N 4.167 112.104 108.800 -1.438 0.000 2.920 135 G HA2 -0.166 3.818 3.960 0.039 0.000 0.208 135 G HA3 -0.166 3.818 3.960 0.039 0.000 0.208 135 G C 1.456 175.813 174.900 -0.904 0.000 1.159 135 G CA -0.036 44.386 45.100 -1.129 0.000 0.784 135 G HN 0.587 nan 8.290 nan 0.000 0.535 136 R N -0.608 119.317 120.500 -0.957 0.000 2.148 136 R HA 0.073 4.436 4.340 0.039 0.000 0.223 136 R C 1.515 177.582 176.300 -0.388 0.000 1.088 136 R CA 0.680 56.446 56.100 -0.558 0.000 0.985 136 R CB -0.603 29.392 30.300 -0.508 0.000 0.880 136 R HN 0.315 nan 8.270 nan 0.000 0.451 137 F N 1.715 121.579 119.950 -0.144 0.000 2.128 137 F HA 0.054 4.604 4.527 0.040 0.000 0.295 137 F C 2.381 178.133 175.800 -0.080 0.000 1.100 137 F CA 0.808 58.752 58.000 -0.094 0.000 1.260 137 F CB -0.556 38.380 39.000 -0.108 0.000 1.009 137 F HN -0.154 nan 8.300 nan 0.000 0.476 138 L N -0.147 121.127 121.223 0.085 0.000 2.012 138 L HA -0.238 4.125 4.340 0.039 0.000 0.210 138 L C 2.754 179.642 176.870 0.029 0.000 1.073 138 L CA 1.231 56.078 54.840 0.011 0.000 0.748 138 L CB -1.001 41.027 42.059 -0.053 0.000 0.891 138 L HN 0.181 nan 8.230 nan 0.000 0.431 139 A N -0.845 121.996 122.820 0.034 0.000 1.851 139 A HA -0.289 4.054 4.320 0.039 0.000 0.216 139 A C 2.287 179.919 177.584 0.080 0.000 1.195 139 A CA 1.959 54.052 52.037 0.092 0.000 0.622 139 A CB -0.655 18.439 19.000 0.157 0.000 0.831 139 A HN 0.428 nan 8.150 nan 0.000 0.444 140 Q N -0.319 119.511 119.800 0.050 0.000 2.049 140 Q HA -0.083 4.280 4.340 0.039 0.000 0.198 140 Q C 2.238 178.271 176.000 0.055 0.000 0.971 140 Q CA 2.037 57.872 55.803 0.054 0.000 0.833 140 Q CB -0.294 28.458 28.738 0.023 0.000 0.896 140 Q HN 0.425 nan 8.270 nan 0.000 0.434 141 V N 1.182 121.128 119.914 0.054 0.000 2.346 141 V HA -0.116 4.028 4.120 0.039 0.000 0.244 141 V C 1.784 177.897 176.094 0.031 0.000 1.037 141 V CA 1.562 63.888 62.300 0.044 0.000 1.029 141 V CB -0.193 31.657 31.823 0.045 0.000 0.663 141 V HN 0.238 nan 8.190 nan 0.000 0.454 142 E N -0.276 119.941 120.200 0.029 0.000 2.474 142 E HA 0.194 4.568 4.350 0.039 0.000 0.195 142 E C 1.695 178.315 176.600 0.032 0.000 1.039 142 E CA 0.728 57.140 56.400 0.021 0.000 0.881 142 E CB 0.509 30.212 29.700 0.006 0.000 0.970 142 E HN 0.607 nan 8.360 nan 0.000 0.486 143 G N 1.672 110.502 108.800 0.049 0.000 2.153 143 G HA2 -0.321 3.662 3.960 0.039 0.000 0.252 143 G HA3 -0.321 3.662 3.960 0.039 0.000 0.252 143 G C 0.515 175.459 174.900 0.073 0.000 0.994 143 G CA 0.401 45.539 45.100 0.063 0.000 0.698 143 G HN 0.480 nan 8.290 nan 0.000 0.521 144 A N -0.672 122.191 122.820 0.072 0.000 2.371 144 A HA 0.690 5.033 4.320 0.039 0.000 0.257 144 A C 0.533 178.197 177.584 0.133 0.000 1.089 144 A CA 0.109 52.193 52.037 0.079 0.000 0.794 144 A CB 1.141 20.170 19.000 0.049 0.000 1.029 144 A HN 1.107 nan 8.150 nan 0.000 0.488 145 V N 3.149 123.149 119.914 0.144 0.000 2.385 145 V HA 0.328 4.471 4.120 0.039 0.000 0.269 145 V C -0.086 176.140 176.094 0.220 0.000 1.043 145 V CA -0.030 62.387 62.300 0.194 0.000 0.906 145 V CB 0.675 32.601 31.823 0.172 0.000 0.995 145 V HN 0.715 nan 8.190 nan 0.000 0.467 146 L N 6.543 127.953 121.223 0.312 0.000 2.333 146 L HA 0.736 5.099 4.340 0.039 0.000 0.280 146 L C -0.703 176.458 176.870 0.486 0.000 1.004 146 L CA -0.202 54.873 54.840 0.393 0.000 0.820 146 L CB 1.805 44.099 42.059 0.391 0.000 1.247 146 L HN 0.436 nan 8.230 nan 0.000 0.416 147 V N 3.035 123.207 119.914 0.431 0.000 2.628 147 V HA 0.761 4.904 4.120 0.039 0.000 0.306 147 V C -0.411 175.947 176.094 0.439 0.000 1.045 147 V CA -0.437 62.077 62.300 0.358 0.000 0.905 147 V CB 1.985 33.938 31.823 0.217 0.000 0.997 147 V HN 0.853 nan 8.190 nan 0.000 0.436 148 S N 4.630 120.571 115.700 0.403 0.000 2.540 148 S HA 0.863 5.357 4.470 0.039 0.000 0.275 148 S C -0.917 173.832 174.600 0.250 0.000 1.123 148 S CA -0.829 57.611 58.200 0.399 0.000 0.907 148 S CB 2.235 65.800 63.200 0.608 0.000 1.081 148 S HN 0.903 nan 8.310 nan 0.000 0.476 149 M N 1.385 121.094 119.600 0.181 0.000 2.535 149 M HA 0.647 5.151 4.480 0.039 0.000 0.314 149 M C -1.713 174.773 176.300 0.311 0.000 1.153 149 M CA -0.595 54.796 55.300 0.152 0.000 0.924 149 M CB 1.096 33.618 32.600 -0.129 0.000 1.710 149 M HN 0.554 nan 8.290 nan 0.000 0.451 150 N N 2.962 121.906 118.700 0.407 0.000 2.514 150 N HA 0.528 5.291 4.740 0.039 0.000 0.277 150 N C -1.411 174.352 175.510 0.421 0.000 1.126 150 N CA 0.115 53.425 53.050 0.432 0.000 0.978 150 N CB 0.437 39.128 38.487 0.339 0.000 1.106 150 N HN 0.709 nan 8.380 nan 0.000 0.461 151 Y N -1.290 119.164 120.300 0.256 0.000 2.545 151 Y HA 0.593 5.166 4.550 0.039 0.000 0.348 151 Y C 0.060 176.093 175.900 0.223 0.000 1.002 151 Y CA -1.352 56.863 58.100 0.192 0.000 1.039 151 Y CB 0.982 39.479 38.460 0.061 0.000 1.271 151 Y HN 0.189 nan 8.280 nan 0.000 0.467 152 R N 1.763 122.430 120.500 0.280 0.000 2.590 152 R HA 0.506 4.870 4.340 0.039 0.000 0.274 152 R C -0.454 176.030 176.300 0.307 0.000 1.061 152 R CA -0.199 56.021 56.100 0.199 0.000 1.081 152 R CB 0.987 31.363 30.300 0.127 0.000 0.984 152 R HN 0.740 nan 8.270 nan 0.000 0.448 153 V N -0.700 119.420 119.914 0.344 0.000 3.158 153 V HA 0.890 5.033 4.120 0.039 0.000 0.311 153 V C 0.556 176.960 176.094 0.516 0.000 1.181 153 V CA -0.130 62.472 62.300 0.503 0.000 1.054 153 V CB 1.261 33.283 31.823 0.333 0.000 1.085 153 V HN 0.979 nan 8.190 nan 0.000 0.446 154 G N 1.856 110.981 108.800 0.542 0.000 2.575 154 G HA2 -0.253 3.730 3.960 0.039 0.000 0.267 154 G HA3 -0.253 3.730 3.960 0.039 0.000 0.267 154 G C 0.999 176.002 174.900 0.171 0.000 1.264 154 G CA 1.282 46.613 45.100 0.385 0.000 0.935 154 G HN 2.443 nan 8.290 nan 0.000 0.568 155 T N -1.861 112.500 114.554 -0.322 0.000 2.737 155 T HA -0.126 4.247 4.350 0.039 0.000 0.269 155 T C 2.120 176.678 174.700 -0.236 0.000 1.040 155 T CA 2.657 64.336 62.100 -0.701 0.000 1.142 155 T CB -0.412 67.890 68.868 -0.944 0.000 0.861 155 T HN 0.630 nan 8.240 nan 0.000 0.456 156 F N 2.136 122.157 119.950 0.119 0.000 2.216 156 F HA 0.234 4.784 4.527 0.039 0.000 0.300 156 F C 2.726 178.551 175.800 0.041 0.000 1.085 156 F CA 0.770 58.807 58.000 0.062 0.000 1.326 156 F CB -0.890 38.112 39.000 0.004 0.000 1.027 156 F HN 0.388 nan 8.300 nan 0.000 0.497 157 G N -2.252 106.646 108.800 0.164 0.000 2.656 157 G HA2 0.035 4.018 3.960 0.039 0.000 0.211 157 G HA3 0.035 4.018 3.960 0.039 0.000 0.211 157 G C 0.870 175.366 174.900 -0.673 0.000 1.137 157 G CA 0.210 45.187 45.100 -0.205 0.000 0.802 157 G HN 0.332 nan 8.290 nan 0.000 0.527 158 F N -0.570 119.463 119.950 0.139 0.000 2.915 158 F HA 0.431 4.982 4.527 0.039 0.000 0.347 158 F C 0.425 176.284 175.800 0.098 0.000 1.104 158 F CA -1.009 57.048 58.000 0.096 0.000 1.126 158 F CB 0.386 39.452 39.000 0.110 0.000 1.145 158 F HN -0.081 nan 8.300 nan 0.000 0.541 159 L N 2.116 123.374 121.223 0.059 0.000 2.513 159 L HA 0.535 4.898 4.340 0.039 0.000 0.272 159 L C -0.053 176.759 176.870 -0.097 0.000 1.187 159 L CA 0.044 54.817 54.840 -0.112 0.000 0.895 159 L CB 0.441 42.133 42.059 -0.611 0.000 1.147 159 L HN 0.117 nan 8.230 nan 0.000 0.483 160 A N 6.326 129.136 122.820 -0.015 0.000 2.422 160 A HA 0.664 5.007 4.320 0.039 0.000 0.302 160 A C -1.103 176.452 177.584 -0.049 0.000 1.041 160 A CA -0.585 51.433 52.037 -0.032 0.000 0.708 160 A CB 1.304 20.320 19.000 0.026 0.000 1.257 160 A HN 0.716 nan 8.150 nan 0.000 0.414 161 L N 3.389 124.571 121.223 -0.069 0.000 2.387 161 L HA 0.320 4.683 4.340 0.039 0.000 0.259 161 L C -2.461 174.394 176.870 -0.026 0.000 1.050 161 L CA -1.799 53.011 54.840 -0.050 0.000 0.922 161 L CB 1.501 43.520 42.059 -0.067 0.000 1.280 161 L HN 0.411 nan 8.230 nan 0.000 0.449 162 P HA 0.064 nan 4.420 nan 0.000 0.264 162 P C 0.953 178.252 177.300 -0.002 0.000 1.183 162 P CA 0.727 63.825 63.100 -0.003 0.000 0.763 162 P CB 0.898 32.597 31.700 -0.002 0.000 0.807 163 G N 1.732 110.535 108.800 0.005 0.000 2.195 163 G HA2 -0.239 3.744 3.960 0.039 0.000 0.246 163 G HA3 -0.239 3.744 3.960 0.039 0.000 0.246 163 G C 0.366 175.269 174.900 0.005 0.000 0.984 163 G CA 0.261 45.365 45.100 0.006 0.000 0.633 163 G HN 0.798 nan 8.290 nan 0.000 0.525 164 S N -0.396 115.306 115.700 0.002 0.000 2.601 164 S HA 0.631 5.125 4.470 0.039 0.000 0.271 164 S C 1.210 175.818 174.600 0.013 0.000 1.305 164 S CA 0.319 58.520 58.200 0.003 0.000 1.022 164 S CB 2.093 65.288 63.200 -0.009 0.000 0.940 164 S HN 0.419 nan 8.310 nan 0.000 0.525 165 R N 0.434 120.945 120.500 0.017 0.000 2.093 165 R HA -0.008 4.356 4.340 0.039 0.000 0.224 165 R C 1.059 177.380 176.300 0.035 0.000 1.101 165 R CA 1.378 57.493 56.100 0.025 0.000 0.979 165 R CB -0.184 30.130 30.300 0.024 0.000 0.877 165 R HN 0.820 nan 8.270 nan 0.000 0.441 166 E N -0.967 119.255 120.200 0.036 0.000 2.447 166 E HA 0.133 4.506 4.350 0.039 0.000 0.195 166 E C -0.217 176.433 176.600 0.083 0.000 1.028 166 E CA 0.515 56.952 56.400 0.061 0.000 0.876 166 E CB 1.220 30.956 29.700 0.060 0.000 0.885 166 E HN 0.244 nan 8.360 nan 0.000 0.500 167 A N 1.136 123.976 122.820 0.033 0.000 3.422 167 A HA 0.268 4.611 4.320 0.039 0.000 0.271 167 A C -2.196 175.383 177.584 -0.008 0.000 1.104 167 A CA -0.857 51.182 52.037 0.004 0.000 0.899 167 A CB 0.457 19.366 19.000 -0.151 0.000 1.309 167 A HN -0.079 nan 8.150 nan 0.000 0.580 168 P HA 0.170 nan 4.420 nan 0.000 0.233 168 P C 0.895 178.209 177.300 0.022 0.000 1.167 168 P CA 1.705 64.818 63.100 0.023 0.000 0.770 168 P CB 0.216 31.939 31.700 0.038 0.000 0.837 169 G N 0.779 109.589 108.800 0.016 0.000 2.707 169 G HA2 -0.168 3.815 3.960 0.039 0.000 0.686 169 G HA3 -0.168 3.815 3.960 0.039 0.000 0.686 169 G C -0.147 174.751 174.900 -0.003 0.000 1.315 169 G CA -0.313 44.800 45.100 0.021 0.000 0.832 169 G HN 0.114 nan 8.290 nan 0.000 0.573 170 N N -2.358 116.338 118.700 -0.006 0.000 2.753 170 N HA -0.276 4.487 4.740 0.039 0.000 0.251 170 N C 1.848 177.211 175.510 -0.244 0.000 1.097 170 N CA 2.370 55.359 53.050 -0.101 0.000 0.786 170 N CB -1.652 36.729 38.487 -0.176 0.000 1.137 170 N HN 1.898 nan 8.380 nan 0.000 0.566 171 V N -2.853 116.899 119.914 -0.269 0.000 2.626 171 V HA 0.044 4.187 4.120 0.039 0.000 0.252 171 V C 2.319 178.280 176.094 -0.222 0.000 1.067 171 V CA 2.200 64.397 62.300 -0.172 0.000 1.081 171 V CB -0.839 30.938 31.823 -0.076 0.000 0.686 171 V HN 0.257 nan 8.190 nan 0.000 0.468 172 G N 0.429 108.896 108.800 -0.553 0.000 2.432 172 G HA2 -0.136 3.847 3.960 0.039 0.000 0.219 172 G HA3 -0.136 3.847 3.960 0.039 0.000 0.219 172 G C 1.545 176.410 174.900 -0.058 0.000 1.135 172 G CA 1.149 46.081 45.100 -0.281 0.000 0.767 172 G HN 0.539 nan 8.290 nan 0.000 0.550 173 L N -0.245 120.892 121.223 -0.144 0.000 2.109 173 L HA 0.119 4.482 4.340 0.039 0.000 0.207 173 L C 2.783 179.689 176.870 0.059 0.000 1.086 173 L CA 0.293 55.033 54.840 -0.167 0.000 0.760 173 L CB -0.240 41.398 42.059 -0.701 0.000 0.910 173 L HN 0.175 nan 8.230 nan 0.000 0.437 174 L N -0.570 120.693 121.223 0.067 0.000 2.141 174 L HA -0.192 4.171 4.340 0.039 0.000 0.209 174 L C 2.158 179.151 176.870 0.205 0.000 1.094 174 L CA 0.791 55.757 54.840 0.210 0.000 0.763 174 L CB -0.597 41.560 42.059 0.163 0.000 0.908 174 L HN 0.277 nan 8.230 nan 0.000 0.437 175 D N 0.076 120.585 120.400 0.182 0.000 2.092 175 D HA -0.217 4.446 4.640 0.039 0.000 0.193 175 D C 2.256 178.697 176.300 0.234 0.000 0.994 175 D CA 1.257 55.446 54.000 0.314 0.000 0.828 175 D CB -0.243 40.761 40.800 0.339 0.000 0.963 175 D HN 0.388 nan 8.370 nan 0.000 0.450 176 Q N 0.127 119.998 119.800 0.118 0.000 2.061 176 Q HA -0.161 4.202 4.340 0.039 0.000 0.204 176 Q C 2.317 178.289 176.000 -0.048 0.000 0.984 176 Q CA 1.209 56.998 55.803 -0.023 0.000 0.846 176 Q CB -0.113 28.617 28.738 -0.014 0.000 0.902 176 Q HN 0.209 nan 8.270 nan 0.000 0.421 177 R N 0.540 121.118 120.500 0.130 0.000 2.091 177 R HA -0.185 4.178 4.340 0.039 0.000 0.238 177 R C 2.214 178.562 176.300 0.079 0.000 1.136 177 R CA 1.117 57.284 56.100 0.112 0.000 0.959 177 R CB -0.261 30.220 30.300 0.302 0.000 0.856 177 R HN 0.221 nan 8.270 nan 0.000 0.437 178 L N 0.797 122.101 121.223 0.136 0.000 2.083 178 L HA -0.074 4.290 4.340 0.039 0.000 0.209 178 L C 2.262 179.182 176.870 0.083 0.000 1.083 178 L CA 2.113 57.065 54.840 0.187 0.000 0.752 178 L CB -0.690 41.576 42.059 0.346 0.000 0.899 178 L HN 0.279 nan 8.230 nan 0.000 0.433 179 A N -1.079 121.580 122.820 -0.269 0.000 1.933 179 A HA -0.153 4.190 4.320 0.039 0.000 0.218 179 A C 2.112 179.653 177.584 -0.073 0.000 1.175 179 A CA 1.705 53.443 52.037 -0.498 0.000 0.628 179 A CB -0.727 17.728 19.000 -0.909 0.000 0.814 179 A HN 0.405 nan 8.150 nan 0.000 0.444 180 L N -0.637 120.547 121.223 -0.064 0.000 2.046 180 L HA -0.176 4.187 4.340 0.039 0.000 0.208 180 L C 2.626 179.549 176.870 0.089 0.000 1.077 180 L CA 2.253 57.096 54.840 0.005 0.000 0.747 180 L CB -0.937 41.081 42.059 -0.067 0.000 0.896 180 L HN 0.536 nan 8.230 nan 0.000 0.432 181 Q N -1.498 118.363 119.800 0.103 0.000 2.084 181 Q HA -0.265 4.099 4.340 0.039 0.000 0.202 181 Q C 2.169 178.261 176.000 0.154 0.000 0.978 181 Q CA 1.809 57.682 55.803 0.117 0.000 0.844 181 Q CB -0.605 28.206 28.738 0.122 0.000 0.898 181 Q HN 0.488 nan 8.270 nan 0.000 0.426 182 W N -0.561 120.762 121.300 0.038 0.000 2.318 182 W HA -0.253 4.430 4.660 0.039 0.000 0.313 182 W C 1.806 178.361 176.519 0.060 0.000 1.221 182 W CA 2.011 59.397 57.345 0.068 0.000 1.266 182 W CB -0.297 29.209 29.460 0.076 0.000 1.150 182 W HN 0.035 nan 8.180 nan 0.000 0.496 183 V N 0.705 120.834 119.914 0.358 0.000 2.343 183 V HA -0.339 3.804 4.120 0.039 0.000 0.247 183 V C 2.542 178.659 176.094 0.039 0.000 1.051 183 V CA 2.071 64.504 62.300 0.221 0.000 1.036 183 V CB -1.029 30.941 31.823 0.245 0.000 0.654 183 V HN 0.215 nan 8.190 nan 0.000 0.451 184 Q N -0.034 119.796 119.800 0.050 0.000 2.096 184 Q HA -0.253 4.111 4.340 0.039 0.000 0.204 184 Q C 2.211 178.184 176.000 -0.046 0.000 0.982 184 Q CA 1.886 57.703 55.803 0.023 0.000 0.850 184 Q CB -0.292 28.468 28.738 0.036 0.000 0.901 184 Q HN 0.728 nan 8.270 nan 0.000 0.422 185 E N -0.250 119.884 120.200 -0.110 0.000 2.152 185 E HA -0.049 4.324 4.350 0.039 0.000 0.192 185 E C 1.328 177.771 176.600 -0.261 0.000 0.983 185 E CA 0.585 56.883 56.400 -0.171 0.000 0.818 185 E CB 0.208 29.799 29.700 -0.182 0.000 0.758 185 E HN 0.322 nan 8.360 nan 0.000 0.467 186 N N -0.275 118.173 118.700 -0.419 0.000 2.239 186 N HA 0.029 4.792 4.740 0.039 0.000 0.208 186 N C 1.393 176.803 175.510 -0.167 0.000 1.200 186 N CA 0.052 52.812 53.050 -0.483 0.000 0.895 186 N CB 0.557 38.322 38.487 -1.202 0.000 1.085 186 N HN 0.040 nan 8.380 nan 0.000 0.500 187 I N 2.356 122.880 120.570 -0.077 0.000 2.493 187 I HA -0.056 4.137 4.170 0.039 0.000 0.254 187 I C 2.127 178.363 176.117 0.198 0.000 1.160 187 I CA 0.541 61.927 61.300 0.143 0.000 1.445 187 I CB -0.243 37.823 38.000 0.109 0.000 1.086 187 I HN 0.045 nan 8.210 nan 0.000 0.433 188 A N 0.326 123.190 122.820 0.072 0.000 2.024 188 A HA -0.168 4.175 4.320 0.039 0.000 0.220 188 A C 2.448 180.044 177.584 0.021 0.000 1.164 188 A CA 1.680 53.742 52.037 0.042 0.000 0.643 188 A CB -1.067 17.929 19.000 -0.006 0.000 0.806 188 A HN 0.477 nan 8.150 nan 0.000 0.451 189 A N -1.682 121.126 122.820 -0.021 0.000 2.121 189 A HA 0.151 4.494 4.320 0.039 0.000 0.218 189 A C 1.488 178.881 177.584 -0.319 0.000 1.154 189 A CA 1.040 52.954 52.037 -0.205 0.000 0.679 189 A CB -0.572 18.217 19.000 -0.352 0.000 0.795 189 A HN 0.491 nan 8.150 nan 0.000 0.458 190 F N -1.359 118.548 119.950 -0.072 0.000 2.695 190 F HA 0.382 4.932 4.527 0.039 0.000 0.303 190 F C 1.804 177.615 175.800 0.018 0.000 1.091 190 F CA 0.475 58.446 58.000 -0.048 0.000 1.300 190 F CB 0.288 39.275 39.000 -0.022 0.000 1.071 190 F HN 0.319 nan 8.300 nan 0.000 0.578 191 G N 0.103 108.996 108.800 0.154 0.000 2.175 191 G HA2 -0.189 3.794 3.960 0.039 0.000 0.244 191 G HA3 -0.189 3.794 3.960 0.039 0.000 0.244 191 G C 0.723 175.691 174.900 0.115 0.000 0.982 191 G CA -0.293 44.872 45.100 0.108 0.000 0.641 191 G HN 0.714 nan 8.290 nan 0.000 0.527 192 G N -0.361 108.530 108.800 0.152 0.000 2.527 192 G HA2 0.444 4.427 3.960 0.039 0.000 0.248 192 G HA3 0.444 4.427 3.960 0.039 0.000 0.248 192 G C -0.629 174.317 174.900 0.077 0.000 1.231 192 G CA 0.411 45.583 45.100 0.120 0.000 0.838 192 G HN 0.228 nan 8.290 nan 0.000 0.570 193 D N 1.368 121.801 120.400 0.054 0.000 2.443 193 D HA 0.289 4.952 4.640 0.039 0.000 0.221 193 D C -1.134 175.184 176.300 0.030 0.000 1.097 193 D CA -2.368 51.645 54.000 0.023 0.000 0.865 193 D CB 1.856 42.650 40.800 -0.010 0.000 1.034 193 D HN 0.042 nan 8.370 nan 0.000 0.511 194 P HA -0.085 nan 4.420 nan 0.000 0.225 194 P C 1.140 178.513 177.300 0.121 0.000 1.148 194 P CA 0.724 63.874 63.100 0.083 0.000 0.779 194 P CB 0.155 31.890 31.700 0.059 0.000 0.780 195 M N -1.243 118.360 119.600 0.005 0.000 2.563 195 M HA 0.100 4.603 4.480 0.039 0.000 0.231 195 M C 0.586 176.501 176.300 -0.641 0.000 1.136 195 M CA 0.464 55.684 55.300 -0.134 0.000 1.026 195 M CB 0.075 32.625 32.600 -0.084 0.000 1.597 195 M HN -0.162 nan 8.290 nan 0.000 0.495 196 S N 0.987 116.449 115.700 -0.397 0.000 2.381 196 S HA 0.434 4.928 4.470 0.039 0.000 0.193 196 S C -1.093 173.474 174.600 -0.056 0.000 1.287 196 S CA -0.512 57.461 58.200 -0.378 0.000 1.199 196 S CB 0.556 63.625 63.200 -0.219 0.000 1.214 196 S HN 0.017 nan 8.310 nan 0.000 0.444 197 V N 3.864 123.892 119.914 0.190 0.000 2.487 197 V HA 0.581 4.724 4.120 0.039 0.000 0.298 197 V C -0.058 176.218 176.094 0.304 0.000 1.028 197 V CA -0.467 62.001 62.300 0.280 0.000 0.860 197 V CB 1.997 34.028 31.823 0.345 0.000 0.991 197 V HN 0.734 nan 8.190 nan 0.000 0.427 198 T N 6.417 121.093 114.554 0.203 0.000 2.786 198 T HA 0.585 4.958 4.350 0.039 0.000 0.283 198 T C -0.252 174.588 174.700 0.233 0.000 0.992 198 T CA -0.349 61.874 62.100 0.204 0.000 0.954 198 T CB 0.873 69.801 68.868 0.099 0.000 0.934 198 T HN 0.342 nan 8.240 nan 0.000 0.440 199 L N 4.868 126.209 121.223 0.197 0.000 2.349 199 L HA 0.656 5.019 4.340 0.039 0.000 0.275 199 L C -0.400 176.682 176.870 0.353 0.000 1.115 199 L CA -0.764 54.162 54.840 0.143 0.000 0.820 199 L CB 0.320 42.248 42.059 -0.218 0.000 1.135 199 L HN 0.625 nan 8.230 nan 0.000 0.445 200 F N 0.567 120.582 119.950 0.110 0.000 2.601 200 F HA 0.956 5.506 4.527 0.038 0.000 0.309 200 F C -0.309 175.474 175.800 -0.028 0.000 1.089 200 F CA -1.498 56.611 58.000 0.182 0.000 0.940 200 F CB 1.533 40.783 39.000 0.417 0.000 1.273 200 F HN 0.464 nan 8.300 nan 0.000 0.450 201 G N 1.085 109.760 108.800 -0.208 0.000 2.623 201 G HA2 0.495 4.478 3.960 0.039 0.000 0.290 201 G HA3 0.495 4.478 3.960 0.039 0.000 0.290 201 G C -2.497 172.189 174.900 -0.356 0.000 1.437 201 G CA -0.797 43.771 45.100 -0.887 0.000 0.798 201 G HN 0.859 nan 8.290 nan 0.000 0.488 202 E N -0.069 119.885 120.200 -0.410 0.000 2.238 202 E HA 0.625 4.998 4.350 0.039 0.000 0.267 202 E C 0.746 177.278 176.600 -0.113 0.000 0.887 202 E CA 0.556 56.929 56.400 -0.046 0.000 0.769 202 E CB 1.983 31.788 29.700 0.175 0.000 1.187 202 E HN 1.800 nan 8.360 nan 0.000 0.416 203 A N 3.474 126.297 122.820 0.006 0.000 5.295 203 A HA -0.384 3.959 4.320 0.039 0.000 0.313 203 A C 1.611 179.259 177.584 0.105 0.000 1.912 203 A CA 2.143 54.247 52.037 0.110 0.000 0.714 203 A CB -2.151 16.845 19.000 -0.008 0.000 1.319 203 A HN 1.263 nan 8.150 nan 0.000 0.375 204 A N -1.194 121.555 122.820 -0.119 0.000 2.024 204 A HA 0.195 4.538 4.320 0.039 0.000 0.220 204 A C 2.776 180.077 177.584 -0.471 0.000 1.164 204 A CA 2.506 54.275 52.037 -0.447 0.000 0.643 204 A CB -1.474 16.842 19.000 -1.140 0.000 0.806 204 A HN 2.382 nan 8.150 nan 0.000 0.451 205 G N -0.755 107.833 108.800 -0.354 0.000 2.408 205 G HA2 0.070 4.053 3.960 0.039 0.000 0.217 205 G HA3 0.070 4.053 3.960 0.039 0.000 0.217 205 G C 1.690 176.413 174.900 -0.296 0.000 1.150 205 G CA 1.193 46.046 45.100 -0.411 0.000 0.776 205 G HN 0.753 nan 8.290 nan 0.000 0.542 206 A N 1.214 123.932 122.820 -0.170 0.000 1.898 206 A HA 0.348 4.691 4.320 0.039 0.000 0.216 206 A C 2.805 180.370 177.584 -0.031 0.000 1.181 206 A CA 2.012 54.012 52.037 -0.061 0.000 0.620 206 A CB -0.761 18.261 19.000 0.036 0.000 0.819 206 A HN 0.719 nan 8.150 nan 0.000 0.442 207 A N -0.371 122.453 122.820 0.007 0.000 1.940 207 A HA -0.107 4.236 4.320 0.039 0.000 0.219 207 A C 2.443 180.032 177.584 0.007 0.000 1.176 207 A CA 2.176 54.214 52.037 0.002 0.000 0.631 207 A CB -0.881 18.144 19.000 0.042 0.000 0.814 207 A HN 0.449 nan 8.150 nan 0.000 0.446 208 S N -0.450 115.245 115.700 -0.008 0.000 2.348 208 S HA -0.147 4.346 4.470 0.039 0.000 0.221 208 S C 1.933 176.500 174.600 -0.054 0.000 1.033 208 S CA 1.455 59.617 58.200 -0.064 0.000 1.010 208 S CB -0.608 62.488 63.200 -0.173 0.000 0.891 208 S HN 0.364 nan 8.310 nan 0.000 0.442 209 V N 1.823 121.712 119.914 -0.041 0.000 2.282 209 V HA -0.239 3.905 4.120 0.039 0.000 0.249 209 V C 2.634 178.732 176.094 0.006 0.000 1.057 209 V CA 2.088 64.373 62.300 -0.025 0.000 1.032 209 V CB -1.618 30.164 31.823 -0.069 0.000 0.645 209 V HN 0.609 nan 8.190 nan 0.000 0.447 210 G N -1.054 107.741 108.800 -0.009 0.000 2.440 210 G HA2 -0.299 3.684 3.960 0.039 0.000 0.218 210 G HA3 -0.299 3.684 3.960 0.039 0.000 0.218 210 G C 1.626 176.544 174.900 0.031 0.000 1.154 210 G CA 1.226 46.325 45.100 -0.001 0.000 0.767 210 G HN 0.456 nan 8.290 nan 0.000 0.552 211 M N -0.201 119.396 119.600 -0.005 0.000 2.229 211 M HA -0.011 4.492 4.480 0.039 0.000 0.264 211 M C 2.349 178.720 176.300 0.119 0.000 1.063 211 M CA 0.959 56.285 55.300 0.043 0.000 1.114 211 M CB -0.254 32.318 32.600 -0.047 0.000 1.387 211 M HN 0.229 nan 8.290 nan 0.000 0.420 212 H N -0.188 119.002 119.070 0.200 0.000 2.389 212 H HA -0.034 4.545 4.556 0.039 0.000 0.299 212 H C 2.139 177.657 175.328 0.316 0.000 1.081 212 H CA 1.493 57.658 56.048 0.196 0.000 1.345 212 H CB -0.402 29.351 29.762 -0.015 0.000 1.393 212 H HN 0.410 nan 8.280 nan 0.000 0.520 213 I N 0.752 121.573 120.570 0.419 0.000 2.264 213 I HA -0.244 3.949 4.170 0.039 0.000 0.248 213 I C 1.874 178.173 176.117 0.304 0.000 1.111 213 I CA 1.087 62.643 61.300 0.427 0.000 1.382 213 I CB -0.085 38.071 38.000 0.261 0.000 1.060 213 I HN 0.112 nan 8.210 nan 0.000 0.418 214 L N -0.916 120.438 121.223 0.218 0.000 2.592 214 L HA 0.116 4.479 4.340 0.039 0.000 0.227 214 L C 0.801 177.718 176.870 0.079 0.000 1.127 214 L CA 0.028 54.973 54.840 0.175 0.000 0.884 214 L CB 0.021 42.164 42.059 0.140 0.000 1.065 214 L HN 0.024 nan 8.230 nan 0.000 0.457 215 S N -0.267 115.446 115.700 0.021 0.000 2.596 215 S HA 0.250 4.744 4.470 0.039 0.000 0.318 215 S C 0.540 175.067 174.600 -0.122 0.000 1.097 215 S CA -0.627 57.468 58.200 -0.175 0.000 1.080 215 S CB 1.550 64.363 63.200 -0.644 0.000 0.991 215 S HN 0.148 nan 8.310 nan 0.000 0.471 216 L N 7.470 128.630 121.223 -0.107 0.000 2.042 216 L HA 0.114 4.477 4.340 0.039 0.000 0.210 216 L C -1.094 175.732 176.870 -0.073 0.000 1.076 216 L CA 2.125 56.921 54.840 -0.073 0.000 0.749 216 L CB -1.023 40.994 42.059 -0.071 0.000 0.893 216 L HN 0.495 nan 8.230 nan 0.000 0.432 217 P HA -0.102 nan 4.420 nan 0.000 0.219 217 P C 1.656 178.948 177.300 -0.014 0.000 1.146 217 P CA 1.457 64.518 63.100 -0.065 0.000 0.808 217 P CB -0.010 31.638 31.700 -0.086 0.000 0.779 218 S N -0.996 114.717 115.700 0.023 0.000 2.436 218 S HA -0.015 4.478 4.470 0.039 0.000 0.228 218 S C 1.819 176.537 174.600 0.198 0.000 1.014 218 S CA 0.572 58.884 58.200 0.186 0.000 0.950 218 S CB -0.395 63.044 63.200 0.398 0.000 0.784 218 S HN 0.088 nan 8.310 nan 0.000 0.504 219 R N 1.891 122.407 120.500 0.027 0.000 2.189 219 R HA 0.018 4.381 4.340 0.039 0.000 0.223 219 R C 2.253 178.350 176.300 -0.339 0.000 1.092 219 R CA 1.206 57.163 56.100 -0.238 0.000 0.989 219 R CB -1.029 29.170 30.300 -0.168 0.000 0.876 219 R HN 0.573 nan 8.270 nan 0.000 0.457 220 S N -0.261 115.335 115.700 -0.173 0.000 2.603 220 S HA 0.084 4.578 4.470 0.039 0.000 0.220 220 S C 1.663 176.171 174.600 -0.153 0.000 0.967 220 S CA 0.202 58.301 58.200 -0.169 0.000 0.920 220 S CB -0.108 63.039 63.200 -0.088 0.000 0.773 220 S HN 0.218 nan 8.310 nan 0.000 0.529 221 L N 0.300 121.475 121.223 -0.081 0.000 2.693 221 L HA 0.488 4.851 4.340 0.039 0.000 0.235 221 L C 0.035 176.984 176.870 0.131 0.000 1.127 221 L CA -0.311 54.557 54.840 0.046 0.000 0.914 221 L CB -0.008 42.127 42.059 0.126 0.000 1.193 221 L HN 0.515 nan 8.230 nan 0.000 0.502 222 F N -4.104 115.700 119.950 -0.243 0.000 2.741 222 F HA 0.442 4.992 4.527 0.039 0.000 0.313 222 F C 0.378 175.920 175.800 -0.430 0.000 1.153 222 F CA -1.029 56.837 58.000 -0.223 0.000 0.931 222 F CB 0.799 39.780 39.000 -0.033 0.000 1.335 222 F HN -0.141 nan 8.300 nan 0.000 0.460 223 H N -0.683 118.426 119.070 0.064 0.000 3.091 223 H HA 0.452 5.032 4.556 0.039 0.000 0.249 223 H C -0.166 175.182 175.328 0.033 0.000 0.985 223 H CA -0.113 55.902 56.048 -0.056 0.000 1.177 223 H CB 1.109 30.848 29.762 -0.038 0.000 1.456 223 H HN 0.400 nan 8.280 nan 0.000 0.467 224 R N 0.293 120.992 120.500 0.332 0.000 2.799 224 R HA 0.718 5.081 4.340 0.039 0.000 0.270 224 R C -1.433 175.133 176.300 0.443 0.000 1.010 224 R CA -0.692 55.572 56.100 0.273 0.000 0.916 224 R CB 2.831 33.099 30.300 -0.054 0.000 1.228 224 R HN 0.121 nan 8.270 nan 0.000 0.469 225 A N 1.030 124.119 122.820 0.447 0.000 2.475 225 A HA 0.708 5.052 4.320 0.039 0.000 0.301 225 A C -1.377 176.377 177.584 0.283 0.000 1.059 225 A CA -0.630 51.605 52.037 0.329 0.000 0.710 225 A CB 1.923 21.071 19.000 0.248 0.000 1.288 225 A HN 0.301 nan 8.150 nan 0.000 0.408 226 V N 1.990 122.030 119.914 0.209 0.000 2.444 226 V HA 0.490 4.633 4.120 0.039 0.000 0.294 226 V C -1.149 175.045 176.094 0.166 0.000 1.022 226 V CA -0.291 62.077 62.300 0.112 0.000 0.850 226 V CB 1.237 33.162 31.823 0.171 0.000 0.992 226 V HN 0.675 nan 8.190 nan 0.000 0.426 227 L N 5.185 126.476 121.223 0.113 0.000 2.324 227 L HA 0.501 4.864 4.340 0.039 0.000 0.274 227 L C 0.052 177.024 176.870 0.170 0.000 1.012 227 L CA 0.061 54.963 54.840 0.102 0.000 0.859 227 L CB 1.441 43.517 42.059 0.028 0.000 1.224 227 L HN 0.628 nan 8.230 nan 0.000 0.429 228 Q N 1.985 121.938 119.800 0.255 0.000 2.360 228 Q HA 0.432 4.796 4.340 0.039 0.000 0.254 228 Q C 0.226 176.357 176.000 0.218 0.000 0.975 228 Q CA -0.441 55.567 55.803 0.343 0.000 0.912 228 Q CB 1.084 30.107 28.738 0.474 0.000 1.212 228 Q HN 0.618 nan 8.270 nan 0.000 0.452 229 S N 0.972 116.786 115.700 0.190 0.000 3.682 229 S HA -0.150 4.343 4.470 0.039 0.000 0.354 229 S C 0.028 174.814 174.600 0.312 0.000 1.034 229 S CA 0.482 58.824 58.200 0.237 0.000 1.084 229 S CB -1.264 62.087 63.200 0.252 0.000 0.903 229 S HN 1.012 nan 8.310 nan 0.000 0.470 230 G N -0.506 108.436 108.800 0.236 0.000 2.519 230 G HA2 0.663 4.646 3.960 0.039 0.000 0.292 230 G HA3 0.663 4.646 3.960 0.039 0.000 0.292 230 G C -0.948 174.022 174.900 0.118 0.000 1.507 230 G CA 0.247 45.537 45.100 0.316 0.000 0.806 230 G HN 1.059 nan 8.290 nan 0.000 0.523 231 T N -1.463 113.102 114.554 0.018 0.000 2.889 231 T HA 0.730 5.103 4.350 0.039 0.000 0.315 231 T C -2.384 172.176 174.700 -0.233 0.000 1.291 231 T CA -1.149 60.886 62.100 -0.109 0.000 1.028 231 T CB 2.949 71.739 68.868 -0.131 0.000 1.235 231 T HN 0.316 nan 8.240 nan 0.000 0.491 232 P HA -0.027 nan 4.420 nan 0.000 0.218 232 P C 0.394 177.539 177.300 -0.259 0.000 1.152 232 P CA 0.719 63.699 63.100 -0.201 0.000 0.826 232 P CB -0.166 31.469 31.700 -0.108 0.000 0.790 233 N N 0.914 119.483 118.700 -0.218 0.000 2.288 233 N HA 0.223 4.987 4.740 0.039 0.000 0.237 233 N C 0.837 176.145 175.510 -0.336 0.000 1.311 233 N CA 0.954 53.871 53.050 -0.223 0.000 0.909 233 N CB -0.209 38.188 38.487 -0.150 0.000 1.167 233 N HN 0.274 nan 8.380 nan 0.000 0.476 234 G N -0.972 107.644 108.800 -0.306 0.000 2.525 234 G HA2 -0.110 3.873 3.960 0.039 0.000 0.685 234 G HA3 -0.110 3.873 3.960 0.039 0.000 0.685 234 G C -2.239 172.417 174.900 -0.407 0.000 1.290 234 G CA -0.205 44.664 45.100 -0.384 0.000 0.915 234 G HN 0.553 nan 8.290 nan 0.000 0.548 235 P HA 0.128 nan 4.420 nan 0.000 0.240 235 P C 1.388 178.619 177.300 -0.115 0.000 1.190 235 P CA 1.887 64.842 63.100 -0.242 0.000 0.781 235 P CB -0.034 31.482 31.700 -0.307 0.000 0.931 236 W N -1.634 119.579 121.300 -0.145 0.000 2.873 236 W HA 0.546 5.229 4.660 0.038 0.000 0.282 236 W C 1.161 177.750 176.519 0.117 0.000 1.118 236 W CA 0.446 57.781 57.345 -0.017 0.000 1.480 236 W CB -0.779 28.707 29.460 0.044 0.000 0.954 236 W HN -0.175 nan 8.180 nan 0.000 0.591 237 A N 2.000 124.474 122.820 -0.577 0.000 2.066 237 A HA 0.087 4.430 4.320 0.039 0.000 0.218 237 A C 1.207 178.625 177.584 -0.278 0.000 1.157 237 A CA 1.958 53.710 52.037 -0.475 0.000 0.670 237 A CB -0.857 17.623 19.000 -0.866 0.000 0.804 237 A HN 0.261 nan 8.150 nan 0.000 0.453 238 T N -3.243 111.163 114.554 -0.247 0.000 2.883 238 T HA 0.612 4.985 4.350 0.039 0.000 0.296 238 T C -0.621 173.994 174.700 -0.141 0.000 1.117 238 T CA -0.123 61.847 62.100 -0.216 0.000 1.006 238 T CB 1.455 70.204 68.868 -0.198 0.000 1.191 238 T HN 0.918 nan 8.240 nan 0.000 0.508 239 V N -0.952 118.887 119.914 -0.125 0.000 3.001 239 V HA 0.912 5.055 4.120 0.039 0.000 0.314 239 V C 0.329 176.379 176.094 -0.074 0.000 1.099 239 V CA -0.776 61.471 62.300 -0.090 0.000 0.989 239 V CB 1.345 33.116 31.823 -0.087 0.000 1.040 239 V HN 1.385 nan 8.190 nan 0.000 0.434 240 S N 1.824 117.489 115.700 -0.059 0.000 2.600 240 S HA 0.556 5.049 4.470 0.039 0.000 0.265 240 S C 1.419 175.997 174.600 -0.037 0.000 1.325 240 S CA 0.119 58.292 58.200 -0.045 0.000 1.002 240 S CB 1.149 64.325 63.200 -0.039 0.000 0.921 240 S HN 1.972 nan 8.310 nan 0.000 0.554 241 A N 2.075 124.879 122.820 -0.026 0.000 1.908 241 A HA 0.095 4.438 4.320 0.039 0.000 0.218 241 A C 2.213 179.785 177.584 -0.020 0.000 1.181 241 A CA 1.804 53.830 52.037 -0.019 0.000 0.627 241 A CB -1.845 17.148 19.000 -0.012 0.000 0.818 241 A HN 1.168 nan 8.150 nan 0.000 0.445 242 G N -0.541 108.245 108.800 -0.023 0.000 2.418 242 G HA2 -0.229 3.754 3.960 0.039 0.000 0.217 242 G HA3 -0.229 3.754 3.960 0.039 0.000 0.217 242 G C 1.480 176.363 174.900 -0.029 0.000 1.158 242 G CA 1.357 46.443 45.100 -0.023 0.000 0.771 242 G HN 0.588 nan 8.290 nan 0.000 0.545 243 E N 0.893 121.071 120.200 -0.037 0.000 2.107 243 E HA 0.145 4.518 4.350 0.039 0.000 0.191 243 E C 2.613 179.177 176.600 -0.059 0.000 0.982 243 E CA 1.263 57.633 56.400 -0.050 0.000 0.809 243 E CB -0.483 29.183 29.700 -0.057 0.000 0.756 243 E HN 0.262 nan 8.360 nan 0.000 0.459 244 A N 0.942 123.734 122.820 -0.047 0.000 1.902 244 A HA -0.181 4.162 4.320 0.039 0.000 0.217 244 A C 2.289 179.870 177.584 -0.005 0.000 1.181 244 A CA 1.730 53.751 52.037 -0.028 0.000 0.623 244 A CB -0.596 18.403 19.000 -0.002 0.000 0.818 244 A HN 0.273 nan 8.150 nan 0.000 0.443 245 R N -0.542 119.950 120.500 -0.013 0.000 2.075 245 R HA -0.118 4.245 4.340 0.039 0.000 0.232 245 R C 2.442 178.735 176.300 -0.012 0.000 1.126 245 R CA 1.514 57.607 56.100 -0.012 0.000 0.963 245 R CB -0.325 29.966 30.300 -0.016 0.000 0.858 245 R HN 0.530 nan 8.270 nan 0.000 0.435 246 R N 0.407 120.895 120.500 -0.021 0.000 2.096 246 R HA -0.165 4.199 4.340 0.039 0.000 0.240 246 R C 2.276 178.564 176.300 -0.019 0.000 1.139 246 R CA 2.006 58.092 56.100 -0.022 0.000 0.952 246 R CB -0.116 30.166 30.300 -0.031 0.000 0.854 246 R HN 0.260 nan 8.270 nan 0.000 0.436 247 R N -0.387 120.089 120.500 -0.040 0.000 2.075 247 R HA -0.062 4.302 4.340 0.039 0.000 0.232 247 R C 2.360 178.716 176.300 0.095 0.000 1.126 247 R CA 1.319 57.383 56.100 -0.060 0.000 0.963 247 R CB -0.313 29.820 30.300 -0.279 0.000 0.858 247 R HN 0.271 nan 8.270 nan 0.000 0.435 248 A N 0.428 123.331 122.820 0.138 0.000 1.898 248 A HA -0.132 4.212 4.320 0.039 0.000 0.216 248 A C 2.146 179.748 177.584 0.030 0.000 1.181 248 A CA 1.822 53.936 52.037 0.129 0.000 0.620 248 A CB -0.716 18.299 19.000 0.024 0.000 0.819 248 A HN 0.260 nan 8.150 nan 0.000 0.442 249 T N 0.083 114.642 114.554 0.009 0.000 2.777 249 T HA -0.112 4.261 4.350 0.039 0.000 0.266 249 T C 1.832 176.531 174.700 -0.001 0.000 1.040 249 T CA 1.456 63.552 62.100 -0.008 0.000 1.141 249 T CB -0.330 68.531 68.868 -0.012 0.000 0.868 249 T HN 0.314 nan 8.240 nan 0.000 0.444 250 L N 1.160 122.391 121.223 0.013 0.000 2.017 250 L HA 0.092 4.455 4.340 0.039 0.000 0.208 250 L C 2.194 179.075 176.870 0.018 0.000 1.073 250 L CA 1.459 56.307 54.840 0.013 0.000 0.745 250 L CB -1.021 41.049 42.059 0.019 0.000 0.894 250 L HN 0.180 nan 8.230 nan 0.000 0.432 251 L N 0.029 121.291 121.223 0.065 0.000 1.990 251 L HA -0.185 4.179 4.340 0.039 0.000 0.213 251 L C 2.558 179.420 176.870 -0.012 0.000 1.072 251 L CA 2.246 57.126 54.840 0.066 0.000 0.755 251 L CB -1.003 41.148 42.059 0.153 0.000 0.889 251 L HN 0.322 nan 8.230 nan 0.000 0.432 252 A N -0.441 122.367 122.820 -0.020 0.000 1.884 252 A HA -0.322 4.022 4.320 0.039 0.000 0.219 252 A C 2.541 180.103 177.584 -0.037 0.000 1.197 252 A CA 2.221 54.238 52.037 -0.033 0.000 0.637 252 A CB -0.838 18.140 19.000 -0.037 0.000 0.827 252 A HN 0.533 nan 8.150 nan 0.000 0.450 253 R N -0.504 119.974 120.500 -0.036 0.000 2.096 253 R HA -0.128 4.235 4.340 0.039 0.000 0.240 253 R C 2.037 178.290 176.300 -0.077 0.000 1.139 253 R CA 1.813 57.888 56.100 -0.041 0.000 0.952 253 R CB -0.457 29.825 30.300 -0.031 0.000 0.854 253 R HN 0.585 nan 8.270 nan 0.000 0.436 254 L N 0.588 121.730 121.223 -0.135 0.000 2.201 254 L HA -0.093 4.270 4.340 0.039 0.000 0.212 254 L C 1.982 178.648 176.870 -0.339 0.000 1.105 254 L CA 0.669 55.323 54.840 -0.311 0.000 0.775 254 L CB -0.060 41.691 42.059 -0.512 0.000 0.913 254 L HN 0.165 nan 8.230 nan 0.000 0.440 255 V N -3.785 116.033 119.914 -0.160 0.000 3.444 255 V HA 0.502 4.645 4.120 0.039 0.000 0.308 255 V C 1.180 177.275 176.094 0.001 0.000 1.371 255 V CA 0.271 62.554 62.300 -0.027 0.000 1.141 255 V CB -0.299 31.548 31.823 0.041 0.000 1.037 255 V HN 0.441 nan 8.190 nan 0.000 0.433 256 G N -0.585 108.204 108.800 -0.018 0.000 2.132 256 G HA2 -0.233 3.750 3.960 0.039 0.000 0.234 256 G HA3 -0.233 3.750 3.960 0.039 0.000 0.234 256 G C 0.118 175.019 174.900 0.002 0.000 0.989 256 G CA 0.064 45.164 45.100 -0.001 0.000 0.676 256 G HN 0.722 nan 8.290 nan 0.000 0.522 266 D N 1.289 121.683 120.400 -0.010 0.000 2.104 266 D HA -0.105 4.559 4.640 0.039 0.000 0.194 266 D C 1.349 177.643 176.300 -0.010 0.000 0.994 266 D CA 1.860 55.850 54.000 -0.017 0.000 0.830 266 D CB 0.034 40.824 40.800 -0.017 0.000 0.959 266 D HN 0.613 nan 8.370 nan 0.000 0.452 267 T N 1.187 115.741 114.554 0.000 0.000 2.665 267 T HA -0.171 4.203 4.350 0.039 0.000 0.268 267 T C 1.804 176.512 174.700 0.013 0.000 1.035 267 T CA 1.340 63.446 62.100 0.010 0.000 1.151 267 T CB -0.235 68.640 68.868 0.012 0.000 0.862 267 T HN 0.319 nan 8.240 nan 0.000 0.438 268 E N 0.430 120.635 120.200 0.008 0.000 2.106 268 E HA -0.023 4.351 4.350 0.039 0.000 0.192 268 E C 2.246 178.851 176.600 0.008 0.000 0.984 268 E CA 0.640 57.046 56.400 0.010 0.000 0.806 268 E CB -0.232 29.471 29.700 0.006 0.000 0.750 268 E HN 0.378 nan 8.360 nan 0.000 0.458 269 L N 0.851 122.072 121.223 -0.003 0.000 2.027 269 L HA -0.162 4.201 4.340 0.039 0.000 0.206 269 L C 2.205 179.068 176.870 -0.011 0.000 1.074 269 L CA 1.228 56.060 54.840 -0.013 0.000 0.745 269 L CB -0.053 41.989 42.059 -0.030 0.000 0.898 269 L HN 0.075 nan 8.230 nan 0.000 0.433 270 I N -0.054 120.509 120.570 -0.011 0.000 2.315 270 I HA -0.229 3.964 4.170 0.039 0.000 0.248 270 I C 2.736 178.911 176.117 0.096 0.000 1.117 270 I CA 1.014 62.324 61.300 0.016 0.000 1.404 270 I CB -0.582 37.427 38.000 0.015 0.000 1.071 270 I HN 0.322 nan 8.210 nan 0.000 0.419 271 A N -0.197 122.661 122.820 0.064 0.000 1.908 271 A HA -0.306 4.037 4.320 0.039 0.000 0.218 271 A C 2.532 180.153 177.584 0.062 0.000 1.181 271 A CA 2.055 54.130 52.037 0.063 0.000 0.627 271 A CB -1.385 17.638 19.000 0.039 0.000 0.818 271 A HN 0.628 nan 8.150 nan 0.000 0.445 272 c N -0.610 118.019 118.600 0.049 0.000 2.440 272 c HA 0.044 4.638 4.570 0.039 0.000 0.278 272 c C 2.580 176.708 174.090 0.064 0.000 1.295 272 c CA 0.987 57.342 56.329 0.044 0.000 1.738 272 c CB -1.555 40.971 42.510 0.027 0.000 1.987 272 c HN 0.582 nan 8.230 nan 0.000 0.492 273 L N 0.370 121.646 121.223 0.088 0.000 2.083 273 L HA -0.116 4.247 4.340 0.039 0.000 0.209 273 L C 2.956 179.945 176.870 0.199 0.000 1.083 273 L CA 1.489 56.417 54.840 0.145 0.000 0.752 273 L CB -0.660 41.492 42.059 0.156 0.000 0.899 273 L HN 0.366 nan 8.230 nan 0.000 0.433 274 R N -0.517 120.096 120.500 0.188 0.000 2.237 274 R HA -0.107 4.256 4.340 0.039 0.000 0.219 274 R C 2.183 178.502 176.300 0.031 0.000 1.080 274 R CA 1.628 57.776 56.100 0.079 0.000 0.995 274 R CB -0.343 29.994 30.300 0.063 0.000 0.875 274 R HN 0.518 nan 8.270 nan 0.000 0.462 275 T N -1.592 112.988 114.554 0.044 0.000 3.067 275 T HA 0.075 4.448 4.350 0.039 0.000 0.261 275 T C 0.987 175.702 174.700 0.025 0.000 1.110 275 T CA 0.067 62.182 62.100 0.026 0.000 1.113 275 T CB 0.141 69.025 68.868 0.027 0.000 0.917 275 T HN -0.122 nan 8.240 nan 0.000 0.499 276 R N 2.734 123.259 120.500 0.041 0.000 2.340 276 R HA 0.374 4.738 4.340 0.039 0.000 0.300 276 R C -2.643 173.674 176.300 0.028 0.000 1.069 276 R CA -2.525 53.602 56.100 0.044 0.000 0.984 276 R CB 0.006 30.345 30.300 0.065 0.000 1.003 276 R HN 0.255 nan 8.270 nan 0.000 0.459 277 P HA -0.087 nan 4.420 nan 0.000 0.266 277 P C 0.335 177.621 177.300 -0.023 0.000 1.186 277 P CA 0.365 63.453 63.100 -0.020 0.000 0.767 277 P CB 0.559 32.255 31.700 -0.005 0.000 0.820 278 A N 2.781 125.509 122.820 -0.152 0.000 1.908 278 A HA -0.270 4.074 4.320 0.039 0.000 0.218 278 A C 2.114 179.673 177.584 -0.043 0.000 1.181 278 A CA 1.868 53.791 52.037 -0.189 0.000 0.627 278 A CB -1.130 17.243 19.000 -1.044 0.000 0.818 278 A HN 0.531 nan 8.150 nan 0.000 0.445 279 Q N 0.028 119.782 119.800 -0.078 0.000 2.224 279 Q HA -0.125 4.239 4.340 0.039 0.000 0.203 279 Q C 1.149 177.249 176.000 0.167 0.000 0.970 279 Q CA 1.770 57.684 55.803 0.185 0.000 0.865 279 Q CB -0.405 28.456 28.738 0.206 0.000 0.922 279 Q HN 0.631 nan 8.270 nan 0.000 0.445 280 D N -0.892 119.578 120.400 0.117 0.000 2.144 280 D HA -0.132 4.531 4.640 0.039 0.000 0.199 280 D C 1.322 177.723 176.300 0.169 0.000 0.984 280 D CA 0.736 54.818 54.000 0.136 0.000 0.834 280 D CB 0.046 40.916 40.800 0.117 0.000 0.955 280 D HN 0.214 nan 8.370 nan 0.000 0.465 281 L N -0.075 121.229 121.223 0.134 0.000 2.044 281 L HA -0.069 4.294 4.340 0.039 0.000 0.205 281 L C 2.443 179.369 176.870 0.094 0.000 1.075 281 L CA 0.855 55.736 54.840 0.067 0.000 0.747 281 L CB -0.828 41.170 42.059 -0.103 0.000 0.903 281 L HN -0.044 nan 8.230 nan 0.000 0.435 282 V N -0.228 119.804 119.914 0.198 0.000 2.332 282 V HA -0.299 3.844 4.120 0.039 0.000 0.248 282 V C 2.152 178.358 176.094 0.187 0.000 1.055 282 V CA 1.696 64.152 62.300 0.260 0.000 1.038 282 V CB -0.630 31.473 31.823 0.467 0.000 0.651 282 V HN 0.401 nan 8.190 nan 0.000 0.450 283 D N -0.883 119.598 120.400 0.134 0.000 2.190 283 D HA -0.165 4.499 4.640 0.039 0.000 0.200 283 D C 1.781 177.933 176.300 -0.248 0.000 0.992 283 D CA 1.362 55.352 54.000 -0.016 0.000 0.854 283 D CB -0.213 40.537 40.800 -0.083 0.000 0.936 283 D HN 0.533 nan 8.370 nan 0.000 0.462 284 H N -0.577 118.489 119.070 -0.005 0.000 2.592 284 H HA 0.138 4.717 4.556 0.039 0.000 0.279 284 H C 1.486 176.740 175.328 -0.124 0.000 1.089 284 H CA -0.072 55.913 56.048 -0.105 0.000 1.150 284 H CB 0.649 30.479 29.762 0.113 0.000 1.575 284 H HN 0.319 nan 8.280 nan 0.000 0.547 285 E N 0.510 120.689 120.200 -0.036 0.000 2.085 285 E HA -0.182 4.192 4.350 0.039 0.000 0.194 285 E C 0.807 177.255 176.600 -0.255 0.000 0.994 285 E CA 1.065 57.413 56.400 -0.086 0.000 0.801 285 E CB 0.097 29.638 29.700 -0.264 0.000 0.743 285 E HN 0.422 nan 8.360 nan 0.000 0.453 286 W N -0.597 120.604 121.300 -0.165 0.000 3.256 286 W HA 0.089 4.773 4.660 0.039 0.000 0.269 286 W C 1.295 177.822 176.519 0.014 0.000 1.310 286 W CA 0.130 57.389 57.345 -0.144 0.000 1.673 286 W CB 0.169 29.492 29.460 -0.229 0.000 1.115 286 W HN 0.229 nan 8.180 nan 0.000 0.686 287 H N -0.734 118.466 119.070 0.216 0.000 2.539 287 H HA 0.018 4.597 4.556 0.039 0.000 0.269 287 H C 1.876 177.262 175.328 0.097 0.000 0.980 287 H CA 0.631 56.783 56.048 0.174 0.000 1.152 287 H CB 0.364 30.266 29.762 0.233 0.000 1.407 287 H HN 0.125 nan 8.280 nan 0.000 0.564 288 V N -1.912 118.088 119.914 0.144 0.000 3.643 288 V HA 0.189 4.333 4.120 0.039 0.000 0.280 288 V C 0.576 176.649 176.094 -0.034 0.000 1.351 288 V CA -0.187 62.132 62.300 0.032 0.000 1.073 288 V CB -0.222 31.581 31.823 -0.034 0.000 0.863 288 V HN 0.111 nan 8.190 nan 0.000 0.436 289 L N 2.581 123.799 121.223 -0.008 0.000 2.490 289 L HA 0.201 4.565 4.340 0.039 0.000 0.274 289 L C -0.323 176.549 176.870 0.004 0.000 1.201 289 L CA -0.862 53.969 54.840 -0.016 0.000 0.869 289 L CB 0.736 42.819 42.059 0.039 0.000 1.123 289 L HN 0.161 nan 8.230 nan 0.000 0.484 290 P HA -0.084 nan 4.420 nan 0.000 0.219 290 P C -0.184 177.119 177.300 0.005 0.000 1.150 290 P CA 1.108 64.204 63.100 -0.007 0.000 0.814 290 P CB 0.456 32.145 31.700 -0.019 0.000 0.787 291 Q N -1.347 118.458 119.800 0.009 0.000 2.528 291 Q HA 0.352 4.715 4.340 0.039 0.000 0.289 291 Q C -0.479 175.535 176.000 0.024 0.000 1.091 291 Q CA -0.762 55.049 55.803 0.014 0.000 0.797 291 Q CB 1.281 30.023 28.738 0.007 0.000 1.466 291 Q HN -0.075 nan 8.270 nan 0.000 0.436 292 E N 1.074 121.288 120.200 0.023 0.000 2.299 292 E HA 0.330 4.703 4.350 0.039 0.000 0.272 292 E C -1.051 175.561 176.600 0.019 0.000 1.043 292 E CA 0.100 56.516 56.400 0.027 0.000 0.895 292 E CB 0.395 30.110 29.700 0.025 0.000 1.011 292 E HN 0.628 nan 8.360 nan 0.000 0.432 293 S N 3.589 119.299 115.700 0.018 0.000 2.615 293 S HA 0.650 5.143 4.470 0.039 0.000 0.269 293 S C -0.402 174.198 174.600 -0.000 0.000 1.161 293 S CA -1.035 57.168 58.200 0.005 0.000 0.817 293 S CB 0.911 64.107 63.200 -0.006 0.000 1.131 293 S HN 0.525 nan 8.310 nan 0.000 0.467 294 I N -2.803 117.766 120.570 -0.003 0.000 2.892 294 I HA 0.804 4.997 4.170 0.039 0.000 0.306 294 I C -0.313 175.764 176.117 -0.066 0.000 1.078 294 I CA -1.170 60.134 61.300 0.007 0.000 1.032 294 I CB 1.277 39.337 38.000 0.101 0.000 1.229 294 I HN 0.765 nan 8.210 nan 0.000 0.435 295 F N 1.741 121.459 119.950 -0.387 0.000 3.091 295 F HA -0.179 4.371 4.527 0.038 0.000 0.288 295 F C -0.344 174.862 175.800 -0.991 0.000 0.907 295 F CA 0.634 58.131 58.000 -0.838 0.000 1.028 295 F CB -0.608 37.809 39.000 -0.971 0.000 1.022 295 F HN 0.598 nan 8.300 nan 0.000 0.665 296 R N 0.463 120.473 120.500 -0.817 0.000 2.628 296 R HA 0.640 5.003 4.340 0.039 0.000 0.288 296 R C -1.138 174.755 176.300 -0.678 0.000 0.980 296 R CA -0.572 55.128 56.100 -0.667 0.000 0.891 296 R CB 1.379 31.559 30.300 -0.201 0.000 1.188 296 R HN -0.006 nan 8.270 nan 0.000 0.450 297 F N -0.508 119.555 119.950 0.188 0.000 2.547 297 F HA 0.337 4.887 4.527 0.039 0.000 0.316 297 F C 1.417 177.162 175.800 -0.092 0.000 1.121 297 F CA -0.814 57.238 58.000 0.086 0.000 0.911 297 F CB 2.001 41.168 39.000 0.279 0.000 1.179 297 F HN 0.353 nan 8.300 nan 0.000 0.443 298 S N 1.162 116.756 115.700 -0.177 0.000 2.368 298 S HA -0.015 4.479 4.470 0.039 0.000 0.224 298 S C 0.047 174.232 174.600 -0.691 0.000 1.029 298 S CA 1.187 59.094 58.200 -0.489 0.000 0.988 298 S CB -0.199 62.607 63.200 -0.657 0.000 0.838 298 S HN 0.363 nan 8.310 nan 0.000 0.462 299 F N 1.498 121.454 119.950 0.009 0.000 2.430 299 F HA 0.531 5.082 4.527 0.039 0.000 0.362 299 F C -0.070 175.749 175.800 0.031 0.000 1.103 299 F CA -0.997 57.036 58.000 0.054 0.000 1.045 299 F CB 1.282 40.334 39.000 0.085 0.000 1.276 299 F HN -0.116 nan 8.300 nan 0.000 0.444 300 V N 0.686 120.572 119.914 -0.047 0.000 3.141 300 V HA 0.778 4.921 4.120 0.039 0.000 0.312 300 V C -2.877 172.839 176.094 -0.630 0.000 1.157 300 V CA -3.347 58.614 62.300 -0.566 0.000 1.041 300 V CB 2.071 33.735 31.823 -0.265 0.000 1.071 300 V HN 0.234 nan 8.190 nan 0.000 0.441 301 P HA 0.164 nan 4.420 nan 0.000 0.264 301 P C -0.734 176.411 177.300 -0.259 0.000 1.179 301 P CA 0.458 63.243 63.100 -0.523 0.000 0.763 301 P CB 0.584 31.879 31.700 -0.676 0.000 0.806 302 V N 4.464 124.308 119.914 -0.116 0.000 2.628 302 V HA 0.264 4.407 4.120 0.039 0.000 0.306 302 V C -0.429 175.637 176.094 -0.046 0.000 1.045 302 V CA -0.938 61.321 62.300 -0.068 0.000 0.905 302 V CB 2.271 34.085 31.823 -0.015 0.000 0.997 302 V HN 0.132 nan 8.190 nan 0.000 0.436 303 V N 7.166 127.055 119.914 -0.042 0.000 2.341 303 V HA 0.179 4.322 4.120 0.039 0.000 0.248 303 V C 0.789 176.883 176.094 0.001 0.000 1.107 303 V CA 0.353 62.642 62.300 -0.018 0.000 1.069 303 V CB 0.098 31.904 31.823 -0.029 0.000 1.177 303 V HN 1.058 nan 8.190 nan 0.000 0.492 304 D N 2.653 123.067 120.400 0.023 0.000 2.354 304 D HA 0.110 4.773 4.640 0.039 0.000 0.209 304 D C 1.558 177.877 176.300 0.032 0.000 1.015 304 D CA 0.732 54.750 54.000 0.030 0.000 0.867 304 D CB 0.288 41.118 40.800 0.049 0.000 0.933 304 D HN 0.676 nan 8.370 nan 0.000 0.520 305 G N 0.714 109.534 108.800 0.034 0.000 2.143 305 G HA2 -0.310 3.673 3.960 0.039 0.000 0.248 305 G HA3 -0.310 3.673 3.960 0.039 0.000 0.248 305 G C 0.312 175.233 174.900 0.034 0.000 0.991 305 G CA 0.759 45.875 45.100 0.026 0.000 0.689 305 G HN 0.555 nan 8.290 nan 0.000 0.522 306 D N -1.785 118.651 120.400 0.061 0.000 3.000 306 D HA 0.227 4.891 4.640 0.039 0.000 0.190 306 D C 1.677 178.030 176.300 0.090 0.000 1.503 306 D CA 0.439 54.478 54.000 0.066 0.000 1.496 306 D CB -0.660 40.186 40.800 0.078 0.000 1.163 306 D HN 0.078 nan 8.370 nan 0.000 0.231 307 F N 1.266 121.220 119.950 0.007 0.000 2.095 307 F HA 0.167 4.717 4.527 0.039 0.000 0.298 307 F C 0.533 176.329 175.800 -0.005 0.000 1.104 307 F CA 1.261 59.264 58.000 0.006 0.000 1.232 307 F CB 0.116 39.116 39.000 0.001 0.000 0.987 307 F HN -0.004 nan 8.300 nan 0.000 0.475 308 L N 0.837 122.229 121.223 0.282 0.000 2.295 308 L HA 0.197 4.560 4.340 0.039 0.000 0.281 308 L C 1.362 178.275 176.870 0.071 0.000 1.018 308 L CA -0.200 54.733 54.840 0.154 0.000 0.841 308 L CB 1.327 43.460 42.059 0.123 0.000 1.218 308 L HN 0.070 nan 8.230 nan 0.000 0.424 309 S N 0.338 116.061 115.700 0.037 0.000 2.447 309 S HA -0.021 4.473 4.470 0.039 0.000 0.233 309 S C 0.475 175.082 174.600 0.012 0.000 1.006 309 S CA 0.512 58.722 58.200 0.016 0.000 0.957 309 S CB 0.151 63.350 63.200 -0.001 0.000 0.773 309 S HN 0.700 nan 8.310 nan 0.000 0.507 310 D N 0.218 120.626 120.400 0.014 0.000 2.759 310 D HA 0.313 4.977 4.640 0.039 0.000 0.321 310 D C -0.838 175.463 176.300 0.002 0.000 1.267 310 D CA -0.024 53.979 54.000 0.005 0.000 0.933 310 D CB 1.388 42.189 40.800 0.001 0.000 1.431 310 D HN 0.211 nan 8.370 nan 0.000 0.504 311 T N -0.917 113.632 114.554 -0.010 0.000 2.932 311 T HA 0.236 4.609 4.350 0.039 0.000 0.312 311 T C -1.814 172.876 174.700 -0.017 0.000 1.071 311 T CA -0.707 61.379 62.100 -0.024 0.000 1.128 311 T CB 0.977 69.825 68.868 -0.035 0.000 0.984 311 T HN 0.111 nan 8.240 nan 0.000 0.549 312 P HA -0.109 nan 4.420 nan 0.000 0.216 312 P C 1.483 178.772 177.300 -0.018 0.000 1.150 312 P CA 1.112 64.196 63.100 -0.027 0.000 0.837 312 P CB 0.075 31.731 31.700 -0.074 0.000 0.786 313 E N -0.099 120.079 120.200 -0.036 0.000 2.049 313 E HA -0.255 4.118 4.350 0.039 0.000 0.198 313 E C 1.949 178.551 176.600 0.003 0.000 1.007 313 E CA 1.594 57.980 56.400 -0.024 0.000 0.809 313 E CB -0.636 29.043 29.700 -0.035 0.000 0.749 313 E HN 0.079 nan 8.360 nan 0.000 0.450 314 A N 0.968 123.789 122.820 0.001 0.000 1.877 314 A HA -0.166 4.178 4.320 0.039 0.000 0.216 314 A C 2.275 179.877 177.584 0.030 0.000 1.186 314 A CA 1.465 53.508 52.037 0.010 0.000 0.620 314 A CB -0.755 18.245 19.000 0.001 0.000 0.822 314 A HN 0.348 nan 8.150 nan 0.000 0.443 315 L N -0.083 121.165 121.223 0.042 0.000 2.093 315 L HA -0.156 4.207 4.340 0.039 0.000 0.208 315 L C 2.599 179.568 176.870 0.165 0.000 1.085 315 L CA 1.543 56.429 54.840 0.077 0.000 0.755 315 L CB -0.628 41.480 42.059 0.081 0.000 0.904 315 L HN 0.694 nan 8.230 nan 0.000 0.435 316 I N -2.841 117.823 120.570 0.155 0.000 2.439 316 I HA -0.131 4.062 4.170 0.039 0.000 0.251 316 I C 1.982 178.231 176.117 0.219 0.000 1.139 316 I CA 1.225 62.661 61.300 0.228 0.000 1.438 316 I CB -0.420 37.620 38.000 0.067 0.000 1.085 316 I HN 0.166 nan 8.210 nan 0.000 0.427 317 N N 1.551 120.320 118.700 0.115 0.000 2.188 317 N HA -0.121 4.642 4.740 0.039 0.000 0.184 317 N C 1.855 177.407 175.510 0.070 0.000 1.018 317 N CA 2.208 55.308 53.050 0.083 0.000 0.858 317 N CB -0.482 38.032 38.487 0.044 0.000 0.989 317 N HN 0.676 nan 8.380 nan 0.000 0.426 318 T N -3.502 111.080 114.554 0.047 0.000 3.054 318 T HA 0.318 4.692 4.350 0.039 0.000 0.255 318 T C 0.929 175.578 174.700 -0.086 0.000 1.035 318 T CA -0.416 61.678 62.100 -0.009 0.000 0.941 318 T CB -0.003 68.854 68.868 -0.017 0.000 1.026 318 T HN 0.060 nan 8.240 nan 0.000 0.533 319 G N 0.860 109.583 108.800 -0.129 0.000 2.503 319 G HA2 0.415 4.398 3.960 0.039 0.000 0.257 319 G HA3 0.415 4.398 3.960 0.039 0.000 0.257 319 G C -1.085 173.365 174.900 -0.749 0.000 1.214 319 G CA -0.421 44.344 45.100 -0.559 0.000 0.839 319 G HN 0.288 nan 8.290 nan 0.000 0.559 320 D N 0.456 120.399 120.400 -0.761 0.000 2.329 320 D HA 0.349 5.012 4.640 0.039 0.000 0.232 320 D C -0.469 175.460 176.300 -0.618 0.000 1.088 320 D CA -0.700 52.999 54.000 -0.501 0.000 0.835 320 D CB 0.757 41.403 40.800 -0.257 0.000 1.078 320 D HN 0.092 nan 8.370 nan 0.000 0.495 321 F N 1.974 121.926 119.950 0.003 0.000 2.791 321 F HA 0.232 4.782 4.527 0.039 0.000 0.308 321 F C 2.011 177.815 175.800 0.008 0.000 1.138 321 F CA -0.349 57.656 58.000 0.008 0.000 1.294 321 F CB 0.221 39.234 39.000 0.023 0.000 0.975 321 F HN 0.360 nan 8.300 nan 0.000 0.512 322 Q N 0.111 119.967 119.800 0.093 0.000 2.135 322 Q HA -0.170 4.193 4.340 0.039 0.000 0.204 322 Q C 0.618 176.654 176.000 0.060 0.000 0.981 322 Q CA 1.443 57.284 55.803 0.065 0.000 0.856 322 Q CB 0.008 28.758 28.738 0.019 0.000 0.902 322 Q HN 0.246 nan 8.270 nan 0.000 0.425 323 D N -0.244 120.185 120.400 0.049 0.000 2.395 323 D HA 0.125 4.788 4.640 0.039 0.000 0.226 323 D C -0.854 175.474 176.300 0.047 0.000 1.146 323 D CA 0.081 54.100 54.000 0.032 0.000 0.830 323 D CB 0.202 41.002 40.800 0.000 0.000 0.958 323 D HN 0.027 nan 8.370 nan 0.000 0.501 324 L N 0.842 122.120 121.223 0.092 0.000 2.346 324 L HA 0.384 4.747 4.340 0.039 0.000 0.276 324 L C -0.952 175.991 176.870 0.122 0.000 1.006 324 L CA -0.489 54.418 54.840 0.112 0.000 0.817 324 L CB 1.830 43.991 42.059 0.170 0.000 1.272 324 L HN -0.249 nan 8.230 nan 0.000 0.421 325 Q N 3.384 123.270 119.800 0.143 0.000 2.333 325 Q HA 0.767 5.131 4.340 0.039 0.000 0.267 325 Q C -1.430 174.811 176.000 0.402 0.000 1.012 325 Q CA -0.479 55.462 55.803 0.230 0.000 0.824 325 Q CB 2.572 31.401 28.738 0.151 0.000 1.290 325 Q HN 0.447 nan 8.270 nan 0.000 0.449 326 V N 2.416 122.553 119.914 0.371 0.000 2.709 326 V HA 0.487 4.630 4.120 0.039 0.000 0.308 326 V C -1.367 174.709 176.094 -0.030 0.000 1.062 326 V CA -0.900 61.538 62.300 0.231 0.000 0.901 326 V CB 1.897 33.761 31.823 0.068 0.000 1.003 326 V HN 0.616 nan 8.190 nan 0.000 0.425 327 L N 6.707 127.682 121.223 -0.412 0.000 2.287 327 L HA 0.864 5.227 4.340 0.039 0.000 0.287 327 L C -0.389 176.365 176.870 -0.194 0.000 1.022 327 L CA -0.108 54.393 54.840 -0.566 0.000 0.814 327 L CB 1.528 42.787 42.059 -1.333 0.000 1.217 327 L HN 0.645 nan 8.230 nan 0.000 0.420 328 V N 2.334 122.207 119.914 -0.068 0.000 2.876 328 V HA 1.132 5.275 4.120 0.039 0.000 0.312 328 V C -0.150 175.778 176.094 -0.276 0.000 1.085 328 V CA 0.240 62.491 62.300 -0.082 0.000 0.945 328 V CB 1.167 32.906 31.823 -0.141 0.000 1.017 328 V HN 1.043 nan 8.190 nan 0.000 0.428 329 G N 1.123 109.618 108.800 -0.508 0.000 2.428 329 G HA2 0.770 4.753 3.960 0.039 0.000 0.304 329 G HA3 0.770 4.753 3.960 0.039 0.000 0.304 329 G C -1.170 173.421 174.900 -0.515 0.000 1.303 329 G CA 0.089 44.538 45.100 -1.085 0.000 0.825 329 G HN 2.095 nan 8.290 nan 0.000 0.484 330 V N -2.310 117.401 119.914 -0.339 0.000 3.159 330 V HA 0.909 5.053 4.120 0.039 0.000 0.308 330 V C 0.319 176.587 176.094 0.290 0.000 1.190 330 V CA -0.362 61.973 62.300 0.058 0.000 1.037 330 V CB 1.091 32.936 31.823 0.038 0.000 1.060 330 V HN 1.882 nan 8.190 nan 0.000 0.437 331 V N -0.082 120.037 119.914 0.342 0.000 3.134 331 V HA 0.554 4.697 4.120 0.039 0.000 0.313 331 V C 1.401 177.690 176.094 0.325 0.000 1.069 331 V CA 0.102 62.657 62.300 0.425 0.000 1.048 331 V CB 1.125 33.197 31.823 0.416 0.000 1.119 331 V HN 1.080 nan 8.190 nan 0.000 0.461 332 K N -0.364 120.227 120.400 0.318 0.000 2.097 332 K HA -0.038 4.305 4.320 0.039 0.000 0.205 332 K C 0.373 177.099 176.600 0.210 0.000 1.050 332 K CA 1.726 58.152 56.287 0.232 0.000 0.938 332 K CB 0.085 32.699 32.500 0.191 0.000 0.718 332 K HN 0.901 nan 8.250 nan 0.000 0.442 333 D N 1.024 121.559 120.400 0.225 0.000 2.749 333 D HA 0.027 4.691 4.640 0.039 0.000 0.338 333 D C 0.108 176.551 176.300 0.239 0.000 1.236 333 D CA -0.063 54.061 54.000 0.206 0.000 0.845 333 D CB 1.253 42.153 40.800 0.166 0.000 1.080 333 D HN 0.119 nan 8.370 nan 0.000 0.497 334 E N 0.540 120.894 120.200 0.256 0.000 2.130 334 E HA -0.139 4.234 4.350 0.039 0.000 0.196 334 E C 1.946 178.747 176.600 0.335 0.000 0.998 334 E CA 0.836 57.421 56.400 0.309 0.000 0.806 334 E CB 0.111 29.957 29.700 0.243 0.000 0.738 334 E HN 0.439 nan 8.360 nan 0.000 0.459 335 G N 0.767 109.729 108.800 0.270 0.000 2.683 335 G HA2 -0.144 3.839 3.960 0.039 0.000 0.213 335 G HA3 -0.144 3.839 3.960 0.039 0.000 0.213 335 G C 1.711 176.817 174.900 0.342 0.000 1.142 335 G CA 0.759 46.039 45.100 0.300 0.000 0.793 335 G HN 0.362 nan 8.290 nan 0.000 0.534 336 S N 0.053 115.904 115.700 0.251 0.000 2.368 336 S HA -0.223 4.271 4.470 0.039 0.000 0.225 336 S C 2.097 176.727 174.600 0.051 0.000 1.030 336 S CA 1.241 59.543 58.200 0.170 0.000 0.999 336 S CB -0.795 62.426 63.200 0.035 0.000 0.844 336 S HN 0.411 nan 8.310 nan 0.000 0.459 337 Y N 1.731 121.922 120.300 -0.182 0.000 2.139 337 Y HA -0.203 4.370 4.550 0.038 0.000 0.282 337 Y C 1.754 177.507 175.900 -0.244 0.000 1.179 337 Y CA 2.003 59.834 58.100 -0.449 0.000 1.161 337 Y CB -0.500 37.586 38.460 -0.625 0.000 0.970 337 Y HN 0.293 nan 8.280 nan 0.000 0.511 338 F N -0.904 119.172 119.950 0.211 0.000 2.558 338 F HA -0.069 4.481 4.527 0.038 0.000 0.298 338 F C 1.873 177.761 175.800 0.148 0.000 1.119 338 F CA 0.549 58.670 58.000 0.202 0.000 1.451 338 F CB -0.336 38.702 39.000 0.064 0.000 1.091 338 F HN 0.017 nan 8.300 nan 0.000 0.563 339 L N -0.129 121.210 121.223 0.193 0.000 2.156 339 L HA -0.120 4.243 4.340 0.039 0.000 0.208 339 L C 2.365 179.280 176.870 0.075 0.000 1.095 339 L CA 0.855 55.666 54.840 -0.048 0.000 0.770 339 L CB -0.762 41.013 42.059 -0.472 0.000 0.914 339 L HN 0.148 nan 8.230 nan 0.000 0.439 340 V N -4.736 115.272 119.914 0.157 0.000 3.305 340 V HA -0.184 3.959 4.120 0.039 0.000 0.269 340 V C 1.291 177.324 176.094 -0.102 0.000 1.157 340 V CA 0.956 63.322 62.300 0.111 0.000 1.157 340 V CB -1.225 30.674 31.823 0.127 0.000 0.772 340 V HN 0.328 nan 8.190 nan 0.000 0.498 341 Y N 1.330 121.653 120.300 0.039 0.000 2.625 341 Y HA 0.657 5.231 4.550 0.038 0.000 0.285 341 Y C 1.752 177.643 175.900 -0.016 0.000 1.168 341 Y CA 0.365 58.458 58.100 -0.012 0.000 1.250 341 Y CB 0.845 39.298 38.460 -0.012 0.000 1.130 341 Y HN 0.388 nan 8.280 nan 0.000 0.526 342 G N -1.422 107.451 108.800 0.122 0.000 4.142 342 G HA2 -0.033 3.950 3.960 0.039 0.000 0.200 342 G HA3 -0.033 3.950 3.960 0.039 0.000 0.200 342 G C -0.726 174.227 174.900 0.089 0.000 0.811 342 G CA -0.359 44.792 45.100 0.086 0.000 0.855 342 G HN -0.077 nan 8.290 nan 0.000 0.455 343 V N 3.315 123.298 119.914 0.115 0.000 2.385 343 V HA 0.410 4.553 4.120 0.039 0.000 0.269 343 V C -2.056 174.204 176.094 0.277 0.000 1.043 343 V CA -1.579 60.821 62.300 0.167 0.000 0.906 343 V CB 1.170 33.054 31.823 0.102 0.000 0.995 343 V HN 0.060 nan 8.190 nan 0.000 0.467 344 P HA 0.280 nan 4.420 nan 0.000 0.265 344 P C 1.011 178.394 177.300 0.138 0.000 1.193 344 P CA 1.156 64.338 63.100 0.138 0.000 0.765 344 P CB 0.737 32.484 31.700 0.079 0.000 0.823 345 G N 1.044 109.861 108.800 0.028 0.000 2.218 345 G HA2 -0.202 3.782 3.960 0.039 0.000 0.216 345 G HA3 -0.202 3.782 3.960 0.039 0.000 0.216 345 G C -0.205 174.473 174.900 -0.370 0.000 0.994 345 G CA -0.603 44.384 45.100 -0.188 0.000 0.637 345 G HN 0.400 nan 8.290 nan 0.000 0.505 346 F N 1.480 121.420 119.950 -0.017 0.000 2.443 346 F HA 0.796 5.345 4.527 0.038 0.000 0.335 346 F C 0.570 176.431 175.800 0.102 0.000 1.104 346 F CA -0.072 57.930 58.000 0.003 0.000 1.013 346 F CB 2.327 41.373 39.000 0.077 0.000 1.136 346 F HN 0.216 nan 8.300 nan 0.000 0.470 347 S N 1.703 117.612 115.700 0.350 0.000 2.543 347 S HA 0.240 4.733 4.470 0.039 0.000 0.274 347 S C 0.216 175.092 174.600 0.460 0.000 1.149 347 S CA -0.850 57.556 58.200 0.343 0.000 0.866 347 S CB 1.330 64.637 63.200 0.179 0.000 1.111 347 S HN 0.778 nan 8.310 nan 0.000 0.457 348 K N 1.244 121.827 120.400 0.305 0.000 2.288 348 K HA 0.051 4.394 4.320 0.039 0.000 0.201 348 K C 0.071 176.688 176.600 0.028 0.000 1.048 348 K CA 1.389 57.751 56.287 0.125 0.000 0.956 348 K CB -0.173 32.122 32.500 -0.342 0.000 0.746 348 K HN 0.473 nan 8.250 nan 0.000 0.461 349 D N 0.987 121.385 120.400 -0.003 0.000 2.339 349 D HA 0.021 4.684 4.640 0.039 0.000 0.217 349 D C -0.267 176.047 176.300 0.025 0.000 1.050 349 D CA 0.241 54.213 54.000 -0.047 0.000 0.856 349 D CB 0.087 40.839 40.800 -0.080 0.000 0.922 349 D HN 0.503 nan 8.370 nan 0.000 0.518 350 N N -1.365 117.391 118.700 0.094 0.000 3.204 350 N HA 0.086 4.850 4.740 0.039 0.000 0.285 350 N C 0.348 175.904 175.510 0.076 0.000 1.536 350 N CA -0.545 52.537 53.050 0.053 0.000 0.832 350 N CB 0.810 39.286 38.487 -0.018 0.000 1.645 350 N HN -0.393 nan 8.380 nan 0.000 0.586 351 E N -0.401 119.766 120.200 -0.054 0.000 2.427 351 E HA 0.025 4.398 4.350 0.039 0.000 0.196 351 E C -0.425 175.821 176.600 -0.589 0.000 1.028 351 E CA 0.469 56.766 56.400 -0.171 0.000 0.864 351 E CB -0.361 29.276 29.700 -0.106 0.000 0.813 351 E HN 0.586 nan 8.360 nan 0.000 0.514 352 S N 0.381 115.751 115.700 -0.550 0.000 3.614 352 S HA -0.184 4.309 4.470 0.039 0.000 0.360 352 S C 0.290 174.446 174.600 -0.739 0.000 1.023 352 S CA 0.201 57.930 58.200 -0.786 0.000 1.114 352 S CB -1.813 60.650 63.200 -1.229 0.000 0.907 352 S HN 0.294 nan 8.310 nan 0.000 0.470 353 L N 1.769 122.719 121.223 -0.455 0.000 2.369 353 L HA 0.424 4.788 4.340 0.039 0.000 0.279 353 L C 0.723 177.404 176.870 -0.315 0.000 1.108 353 L CA -0.034 54.610 54.840 -0.327 0.000 0.852 353 L CB 0.081 42.017 42.059 -0.204 0.000 1.169 353 L HN 0.444 nan 8.230 nan 0.000 0.452 354 I N 0.214 120.603 120.570 -0.302 0.000 2.863 354 I HA 0.635 4.829 4.170 0.039 0.000 0.311 354 I C 0.517 176.566 176.117 -0.113 0.000 1.026 354 I CA -0.658 60.497 61.300 -0.241 0.000 1.077 354 I CB 1.977 39.805 38.000 -0.286 0.000 1.262 354 I HN 0.547 nan 8.210 nan 0.000 0.461 355 S N 2.849 118.511 115.700 -0.063 0.000 2.645 355 S HA 0.338 4.831 4.470 0.039 0.000 0.266 355 S C 0.980 175.604 174.600 0.041 0.000 1.258 355 S CA -0.445 57.744 58.200 -0.018 0.000 0.990 355 S CB 1.508 64.703 63.200 -0.009 0.000 0.967 355 S HN 0.896 nan 8.310 nan 0.000 0.556 356 R N 0.562 121.090 120.500 0.045 0.000 2.081 356 R HA -0.093 4.271 4.340 0.039 0.000 0.235 356 R C 2.411 178.801 176.300 0.151 0.000 1.131 356 R CA 1.541 57.707 56.100 0.109 0.000 0.960 356 R CB -1.150 29.189 30.300 0.065 0.000 0.856 356 R HN 0.851 nan 8.270 nan 0.000 0.436 357 A N 0.687 123.560 122.820 0.088 0.000 1.892 357 A HA -0.258 4.085 4.320 0.039 0.000 0.218 357 A C 2.058 179.692 177.584 0.083 0.000 1.188 357 A CA 1.737 53.818 52.037 0.073 0.000 0.631 357 A CB -0.585 18.441 19.000 0.044 0.000 0.822 357 A HN 0.527 nan 8.150 nan 0.000 0.447 358 Q N -1.998 117.855 119.800 0.090 0.000 2.167 358 Q HA -0.110 4.254 4.340 0.039 0.000 0.202 358 Q C 1.844 177.961 176.000 0.195 0.000 0.970 358 Q CA 1.415 57.283 55.803 0.108 0.000 0.855 358 Q CB -0.262 28.512 28.738 0.060 0.000 0.911 358 Q HN 0.821 nan 8.270 nan 0.000 0.438 359 F N 0.830 120.816 119.950 0.060 0.000 2.113 359 F HA -0.190 4.364 4.527 0.045 0.000 0.297 359 F C 1.672 177.514 175.800 0.070 0.000 1.103 359 F CA 0.972 59.020 58.000 0.081 0.000 1.248 359 F CB 0.132 39.163 39.000 0.051 0.000 0.999 359 F HN -0.031 nan 8.300 nan 0.000 0.475 360 L N 0.110 121.292 121.223 -0.067 0.000 2.093 360 L HA -0.159 4.205 4.340 0.039 0.000 0.208 360 L C 2.835 179.638 176.870 -0.112 0.000 1.085 360 L CA 1.024 55.764 54.840 -0.166 0.000 0.755 360 L CB -1.517 40.526 42.059 -0.027 0.000 0.904 360 L HN 0.253 nan 8.230 nan 0.000 0.435 361 A N 0.899 123.702 122.820 -0.028 0.000 1.877 361 A HA -0.096 4.248 4.320 0.039 0.000 0.216 361 A C 2.450 180.028 177.584 -0.010 0.000 1.186 361 A CA 1.701 53.736 52.037 -0.003 0.000 0.620 361 A CB -1.245 17.775 19.000 0.034 0.000 0.822 361 A HN 0.415 nan 8.150 nan 0.000 0.443 362 G N -0.579 108.227 108.800 0.011 0.000 2.442 362 G HA2 -0.128 3.855 3.960 0.039 0.000 0.219 362 G HA3 -0.128 3.855 3.960 0.039 0.000 0.219 362 G C 1.489 176.348 174.900 -0.068 0.000 1.141 362 G CA 1.215 46.326 45.100 0.018 0.000 0.763 362 G HN 0.319 nan 8.290 nan 0.000 0.554 363 V N 1.092 120.895 119.914 -0.186 0.000 2.392 363 V HA -0.158 3.985 4.120 0.039 0.000 0.249 363 V C 2.969 179.004 176.094 -0.098 0.000 1.059 363 V CA 1.740 63.922 62.300 -0.197 0.000 1.051 363 V CB -0.376 31.248 31.823 -0.331 0.000 0.658 363 V HN 0.256 nan 8.190 nan 0.000 0.455 364 R N -0.179 120.276 120.500 -0.075 0.000 2.115 364 R HA 0.029 4.393 4.340 0.039 0.000 0.230 364 R C 1.990 178.276 176.300 -0.023 0.000 1.111 364 R CA 1.317 57.393 56.100 -0.040 0.000 0.976 364 R CB -0.756 29.528 30.300 -0.026 0.000 0.870 364 R HN 0.480 nan 8.270 nan 0.000 0.445 365 I N -0.576 119.984 120.570 -0.017 0.000 2.703 365 I HA -0.016 4.177 4.170 0.039 0.000 0.259 365 I C 2.165 178.280 176.117 -0.004 0.000 1.151 365 I CA 1.141 62.440 61.300 -0.001 0.000 1.470 365 I CB -0.321 37.688 38.000 0.014 0.000 1.112 365 I HN 0.163 nan 8.210 nan 0.000 0.437 366 G N 0.361 109.151 108.800 -0.018 0.000 2.551 366 G HA2 0.032 4.015 3.960 0.039 0.000 0.216 366 G HA3 0.032 4.015 3.960 0.039 0.000 0.216 366 G C 0.776 175.666 174.900 -0.016 0.000 1.137 366 G CA 0.338 45.429 45.100 -0.016 0.000 0.798 366 G HN 0.225 nan 8.290 nan 0.000 0.536 367 V N 1.759 121.645 119.914 -0.047 0.000 2.405 367 V HA 0.225 4.369 4.120 0.039 0.000 0.253 367 V C -1.566 174.507 176.094 -0.035 0.000 0.963 367 V CA -1.061 61.175 62.300 -0.106 0.000 1.003 367 V CB 1.528 33.267 31.823 -0.140 0.000 1.251 367 V HN 0.055 nan 8.190 nan 0.000 0.520 368 P HA -0.086 nan 4.420 nan 0.000 0.226 368 P C 0.986 178.290 177.300 0.007 0.000 1.153 368 P CA 0.937 64.040 63.100 0.005 0.000 0.777 368 P CB 0.604 32.310 31.700 0.010 0.000 0.794 369 Q N -0.350 119.462 119.800 0.020 0.000 2.425 369 Q HA 0.257 4.620 4.340 0.039 0.000 0.204 369 Q C 0.895 176.896 176.000 0.002 0.000 0.933 369 Q CA 0.001 55.813 55.803 0.015 0.000 0.939 369 Q CB -0.450 28.308 28.738 0.034 0.000 1.044 369 Q HN 0.170 nan 8.270 nan 0.000 0.513 370 A N 0.887 123.702 122.820 -0.008 0.000 2.440 370 A HA 0.416 4.760 4.320 0.039 0.000 0.251 370 A C 0.458 178.032 177.584 -0.016 0.000 1.089 370 A CA -0.227 51.800 52.037 -0.018 0.000 0.779 370 A CB 0.157 19.143 19.000 -0.024 0.000 1.022 370 A HN 0.342 nan 8.150 nan 0.000 0.492 371 S N 1.891 117.579 115.700 -0.020 0.000 2.606 371 S HA 0.103 4.597 4.470 0.039 0.000 0.257 371 S C 0.464 175.060 174.600 -0.006 0.000 1.327 371 S CA 0.213 58.405 58.200 -0.014 0.000 0.984 371 S CB 0.371 63.559 63.200 -0.020 0.000 0.941 371 S HN 0.630 nan 8.310 nan 0.000 0.576 372 D N 0.181 120.581 120.400 -0.000 0.000 2.116 372 D HA -0.104 4.559 4.640 0.039 0.000 0.193 372 D C 1.732 178.044 176.300 0.019 0.000 0.998 372 D CA 1.156 55.161 54.000 0.008 0.000 0.836 372 D CB -0.488 40.318 40.800 0.010 0.000 0.951 372 D HN 0.424 nan 8.370 nan 0.000 0.449 373 L N 0.613 121.848 121.223 0.020 0.000 2.056 373 L HA -0.003 4.360 4.340 0.039 0.000 0.207 373 L C 2.097 179.000 176.870 0.055 0.000 1.078 373 L CA 1.678 56.541 54.840 0.039 0.000 0.749 373 L CB -0.819 41.259 42.059 0.032 0.000 0.901 373 L HN -0.011 nan 8.230 nan 0.000 0.433 374 A N -0.540 122.294 122.820 0.022 0.000 1.902 374 A HA -0.102 4.241 4.320 0.039 0.000 0.217 374 A C 2.437 180.049 177.584 0.046 0.000 1.181 374 A CA 1.757 53.802 52.037 0.014 0.000 0.623 374 A CB -1.129 17.841 19.000 -0.050 0.000 0.818 374 A HN 0.547 nan 8.150 nan 0.000 0.443 375 A N -0.538 122.298 122.820 0.026 0.000 1.933 375 A HA -0.130 4.213 4.320 0.039 0.000 0.218 375 A C 1.939 179.552 177.584 0.048 0.000 1.175 375 A CA 2.014 54.063 52.037 0.019 0.000 0.628 375 A CB -0.452 18.543 19.000 -0.009 0.000 0.814 375 A HN 0.537 nan 8.150 nan 0.000 0.444 376 E N 0.013 120.253 120.200 0.067 0.000 2.077 376 E HA -0.078 4.295 4.350 0.039 0.000 0.193 376 E C 2.120 178.806 176.600 0.144 0.000 0.989 376 E CA 1.432 57.889 56.400 0.096 0.000 0.800 376 E CB -0.379 29.373 29.700 0.087 0.000 0.746 376 E HN 0.518 nan 8.360 nan 0.000 0.452 377 A N -0.115 122.812 122.820 0.179 0.000 1.933 377 A HA -0.162 4.181 4.320 0.039 0.000 0.218 377 A C 2.445 180.161 177.584 0.220 0.000 1.175 377 A CA 1.588 53.777 52.037 0.254 0.000 0.628 377 A CB -0.721 18.544 19.000 0.441 0.000 0.814 377 A HN 0.199 nan 8.150 nan 0.000 0.444 378 V N -0.484 119.577 119.914 0.245 0.000 2.295 378 V HA -0.233 3.910 4.120 0.039 0.000 0.246 378 V C 2.577 178.841 176.094 0.284 0.000 1.049 378 V CA 2.017 64.452 62.300 0.225 0.000 1.024 378 V CB -0.776 31.142 31.823 0.157 0.000 0.648 378 V HN 0.374 nan 8.190 nan 0.000 0.447 379 V N -0.174 119.852 119.914 0.187 0.000 2.343 379 V HA -0.256 3.887 4.120 0.039 0.000 0.247 379 V C 2.276 178.588 176.094 0.365 0.000 1.051 379 V CA 1.968 64.422 62.300 0.257 0.000 1.036 379 V CB -0.515 31.384 31.823 0.127 0.000 0.654 379 V HN 0.450 nan 8.190 nan 0.000 0.451 380 L N -0.714 120.702 121.223 0.323 0.000 2.093 380 L HA -0.173 4.190 4.340 0.039 0.000 0.208 380 L C 2.527 179.606 176.870 0.348 0.000 1.085 380 L CA 1.929 57.031 54.840 0.437 0.000 0.755 380 L CB -0.755 41.476 42.059 0.287 0.000 0.904 380 L HN 0.463 nan 8.230 nan 0.000 0.435 381 H N -0.925 118.148 119.070 0.005 0.000 2.395 381 H HA -0.166 4.415 4.556 0.042 0.000 0.299 381 H C 1.814 177.025 175.328 -0.195 0.000 1.070 381 H CA 1.750 57.643 56.048 -0.258 0.000 1.356 381 H CB 0.107 29.348 29.762 -0.868 0.000 1.401 381 H HN 0.235 nan 8.280 nan 0.000 0.524 382 Y N -0.064 120.297 120.300 0.102 0.000 2.510 382 Y HA 0.132 4.704 4.550 0.038 0.000 0.273 382 Y C 0.769 176.640 175.900 -0.048 0.000 1.119 382 Y CA 0.309 58.480 58.100 0.118 0.000 1.286 382 Y CB 0.364 39.042 38.460 0.363 0.000 1.061 382 Y HN 0.035 nan 8.280 nan 0.000 0.542 383 T N 1.600 116.147 114.554 -0.011 0.000 2.888 383 T HA -0.073 4.301 4.350 0.039 0.000 0.301 383 T C -0.226 174.134 174.700 -0.567 0.000 1.001 383 T CA -0.149 61.671 62.100 -0.466 0.000 1.147 383 T CB 0.240 68.534 68.868 -0.957 0.000 0.931 383 T HN 0.053 nan 8.240 nan 0.000 0.541 384 D N 2.016 122.145 120.400 -0.451 0.000 2.365 384 D HA 0.093 4.757 4.640 0.039 0.000 0.237 384 D C 0.083 176.135 176.300 -0.414 0.000 1.190 384 D CA -0.599 53.228 54.000 -0.289 0.000 0.867 384 D CB 0.387 41.131 40.800 -0.093 0.000 1.050 384 D HN 0.618 nan 8.370 nan 0.000 0.491 385 W N 3.117 124.364 121.300 -0.088 0.000 2.699 385 W HA 0.041 4.722 4.660 0.035 0.000 0.249 385 W C 2.007 178.428 176.519 -0.163 0.000 1.280 385 W CA -0.227 57.056 57.345 -0.103 0.000 1.345 385 W CB 0.021 29.431 29.460 -0.083 0.000 1.128 385 W HN 0.429 nan 8.180 nan 0.000 0.642 386 L N -1.190 119.970 121.223 -0.105 0.000 2.156 386 L HA -0.103 4.261 4.340 0.039 0.000 0.208 386 L C 0.359 176.816 176.870 -0.689 0.000 1.095 386 L CA 1.172 55.780 54.840 -0.387 0.000 0.770 386 L CB -0.302 41.456 42.059 -0.501 0.000 0.914 386 L HN 0.032 nan 8.230 nan 0.000 0.439 387 H N -1.959 116.962 119.070 -0.249 0.000 2.535 387 H HA 0.148 4.710 4.556 0.010 0.000 0.232 387 H C -1.816 173.283 175.328 -0.381 0.000 1.405 387 H CA -1.174 54.656 56.048 -0.363 0.000 1.224 387 H CB 0.168 29.509 29.762 -0.701 0.000 1.763 387 H HN -0.010 nan 8.280 nan 0.000 0.529 388 P HA -0.117 nan 4.420 nan 0.000 0.226 388 P C 0.457 177.615 177.300 -0.235 0.000 1.153 388 P CA 1.104 63.990 63.100 -0.356 0.000 0.777 388 P CB 0.642 32.150 31.700 -0.320 0.000 0.794 389 E N -0.486 119.630 120.200 -0.140 0.000 2.583 389 E HA 0.064 4.437 4.350 0.039 0.000 0.213 389 E C -0.248 176.305 176.600 -0.079 0.000 0.989 389 E CA -0.232 56.114 56.400 -0.090 0.000 0.991 389 E CB 0.126 29.799 29.700 -0.045 0.000 1.040 389 E HN 0.173 nan 8.360 nan 0.000 0.481 390 D N 2.080 122.422 120.400 -0.096 0.000 2.358 390 D HA 0.026 4.689 4.640 0.039 0.000 0.258 390 D C -1.675 174.606 176.300 -0.032 0.000 1.223 390 D CA -1.939 52.031 54.000 -0.049 0.000 0.886 390 D CB 1.309 42.077 40.800 -0.053 0.000 1.120 390 D HN -0.176 nan 8.370 nan 0.000 0.482 391 P HA -0.128 nan 4.420 nan 0.000 0.218 391 P C 1.103 178.354 177.300 -0.083 0.000 1.148 391 P CA 1.052 64.104 63.100 -0.081 0.000 0.822 391 P CB 0.231 31.873 31.700 -0.096 0.000 0.784 392 T N -1.727 112.802 114.554 -0.041 0.000 2.737 392 T HA -0.157 4.216 4.350 0.039 0.000 0.265 392 T C 1.489 176.150 174.700 -0.064 0.000 1.038 392 T CA 1.545 63.607 62.100 -0.062 0.000 1.144 392 T CB -1.003 67.824 68.868 -0.068 0.000 0.866 392 T HN 0.249 nan 8.240 nan 0.000 0.434 393 H N 0.830 119.830 119.070 -0.116 0.000 2.321 393 H HA 0.084 4.657 4.556 0.028 0.000 0.300 393 H C 2.163 177.380 175.328 -0.184 0.000 1.087 393 H CA 1.144 57.117 56.048 -0.125 0.000 1.319 393 H CB -0.496 29.183 29.762 -0.138 0.000 1.379 393 H HN 0.201 nan 8.280 nan 0.000 0.501 394 L N 0.005 121.158 121.223 -0.116 0.000 2.093 394 L HA -0.146 4.217 4.340 0.039 0.000 0.208 394 L C 2.771 179.553 176.870 -0.147 0.000 1.085 394 L CA 1.059 55.697 54.840 -0.337 0.000 0.755 394 L CB -0.312 41.577 42.059 -0.284 0.000 0.904 394 L HN 0.242 nan 8.230 nan 0.000 0.435 395 R N 0.598 121.076 120.500 -0.037 0.000 2.073 395 R HA -0.183 4.180 4.340 0.039 0.000 0.234 395 R C 1.621 178.036 176.300 0.191 0.000 1.134 395 R CA 2.108 58.268 56.100 0.101 0.000 0.952 395 R CB -0.403 29.823 30.300 -0.123 0.000 0.850 395 R HN 0.313 nan 8.270 nan 0.000 0.433 396 D N 0.517 120.977 120.400 0.099 0.000 2.178 396 D HA -0.073 4.590 4.640 0.039 0.000 0.202 396 D C 1.744 178.134 176.300 0.149 0.000 0.974 396 D CA 1.404 55.488 54.000 0.140 0.000 0.841 396 D CB -0.209 40.632 40.800 0.067 0.000 0.953 396 D HN 0.383 nan 8.370 nan 0.000 0.478 397 A N 0.605 123.474 122.820 0.081 0.000 1.933 397 A HA -0.167 4.176 4.320 0.039 0.000 0.218 397 A C 2.125 179.842 177.584 0.221 0.000 1.175 397 A CA 1.464 53.579 52.037 0.129 0.000 0.628 397 A CB -0.455 18.472 19.000 -0.122 0.000 0.814 397 A HN 0.135 nan 8.150 nan 0.000 0.444 398 M N 0.063 119.839 119.600 0.294 0.000 2.086 398 M HA -0.107 4.396 4.480 0.039 0.000 0.261 398 M C 2.342 178.727 176.300 0.142 0.000 1.067 398 M CA 2.175 57.680 55.300 0.341 0.000 1.116 398 M CB -0.675 32.167 32.600 0.402 0.000 1.348 398 M HN 0.429 nan 8.290 nan 0.000 0.407 399 S N -0.267 115.533 115.700 0.167 0.000 2.359 399 S HA -0.144 4.349 4.470 0.039 0.000 0.224 399 S C 2.073 176.762 174.600 0.148 0.000 1.035 399 S CA 1.766 60.068 58.200 0.170 0.000 1.018 399 S CB -0.676 62.680 63.200 0.260 0.000 0.876 399 S HN 0.622 nan 8.310 nan 0.000 0.448 400 A N 0.861 123.784 122.820 0.173 0.000 1.908 400 A HA -0.019 4.324 4.320 0.039 0.000 0.218 400 A C 2.397 180.039 177.584 0.097 0.000 1.181 400 A CA 1.884 54.048 52.037 0.213 0.000 0.627 400 A CB -1.190 18.039 19.000 0.383 0.000 0.818 400 A HN 0.481 nan 8.150 nan 0.000 0.445 401 V N -0.452 119.374 119.914 -0.147 0.000 2.287 401 V HA -0.256 3.888 4.120 0.039 0.000 0.248 401 V C 2.577 178.615 176.094 -0.093 0.000 1.053 401 V CA 2.165 64.307 62.300 -0.264 0.000 1.027 401 V CB -0.764 30.905 31.823 -0.258 0.000 0.646 401 V HN 0.387 nan 8.190 nan 0.000 0.447 402 V N 0.605 120.485 119.914 -0.057 0.000 2.358 402 V HA -0.120 4.023 4.120 0.039 0.000 0.246 402 V C 2.613 178.612 176.094 -0.158 0.000 1.047 402 V CA 2.055 64.304 62.300 -0.085 0.000 1.035 402 V CB -1.290 30.530 31.823 -0.004 0.000 0.658 402 V HN 0.611 nan 8.190 nan 0.000 0.452 403 G N -0.327 108.450 108.800 -0.039 0.000 2.418 403 G HA2 -0.233 3.750 3.960 0.039 0.000 0.217 403 G HA3 -0.233 3.750 3.960 0.039 0.000 0.217 403 G C 1.236 176.066 174.900 -0.116 0.000 1.158 403 G CA 1.058 46.142 45.100 -0.026 0.000 0.771 403 G HN 0.502 nan 8.290 nan 0.000 0.545 404 D N -0.453 119.887 120.400 -0.101 0.000 2.120 404 D HA -0.039 4.624 4.640 0.039 0.000 0.202 404 D C 2.089 178.060 176.300 -0.548 0.000 0.972 404 D CA 1.055 54.958 54.000 -0.162 0.000 0.837 404 D CB -0.464 40.411 40.800 0.125 0.000 0.989 404 D HN 0.378 nan 8.370 nan 0.000 0.469 405 H N 1.194 119.671 119.070 -0.989 0.000 2.352 405 H HA -0.011 4.569 4.556 0.039 0.000 0.299 405 H C 1.502 176.415 175.328 -0.692 0.000 1.097 405 H CA 1.790 57.070 56.048 -1.280 0.000 1.311 405 H CB 0.062 29.082 29.762 -1.236 0.000 1.377 405 H HN 0.003 nan 8.280 nan 0.000 0.504 406 N N -0.899 117.352 118.700 -0.747 0.000 2.402 406 N HA -0.004 4.759 4.740 0.039 0.000 0.174 406 N C 1.364 176.628 175.510 -0.411 0.000 1.027 406 N CA 1.201 53.752 53.050 -0.831 0.000 0.891 406 N CB 0.943 38.362 38.487 -1.780 0.000 1.016 406 N HN 0.288 nan 8.380 nan 0.000 0.439 407 V N -0.357 119.370 119.914 -0.311 0.000 3.161 407 V HA 0.066 4.209 4.120 0.039 0.000 0.221 407 V C 2.204 178.253 176.094 -0.076 0.000 1.296 407 V CA 0.212 62.465 62.300 -0.078 0.000 1.306 407 V CB -0.093 31.756 31.823 0.044 0.000 1.171 407 V HN -0.161 nan 8.190 nan 0.000 0.513 408 V N 0.003 119.871 119.914 -0.077 0.000 2.295 408 V HA -0.274 3.870 4.120 0.039 0.000 0.246 408 V C 2.491 178.542 176.094 -0.070 0.000 1.049 408 V CA 2.550 64.820 62.300 -0.051 0.000 1.024 408 V CB -0.764 31.060 31.823 0.001 0.000 0.648 408 V HN 0.651 nan 8.190 nan 0.000 0.447 409 c N -0.507 118.037 118.600 -0.094 0.000 2.475 409 c HA 0.035 4.629 4.570 0.039 0.000 0.279 409 c C 0.575 174.621 174.090 -0.073 0.000 1.322 409 c CA 0.736 57.036 56.329 -0.049 0.000 1.734 409 c CB -1.702 40.797 42.510 -0.017 0.000 2.005 409 c HN 0.450 nan 8.230 nan 0.000 0.495 410 P HA -0.101 nan 4.420 nan 0.000 0.216 410 P C 1.759 178.991 177.300 -0.113 0.000 1.153 410 P CA 1.469 64.489 63.100 -0.132 0.000 0.858 410 P CB -0.149 31.444 31.700 -0.178 0.000 0.789 411 V N 0.031 119.881 119.914 -0.107 0.000 2.295 411 V HA -0.267 3.876 4.120 0.039 0.000 0.246 411 V C 2.461 178.454 176.094 -0.168 0.000 1.049 411 V CA 2.281 64.503 62.300 -0.130 0.000 1.024 411 V CB -1.708 30.037 31.823 -0.130 0.000 0.648 411 V HN 0.103 nan 8.190 nan 0.000 0.447 412 A N -0.438 122.298 122.820 -0.140 0.000 1.908 412 A HA -0.356 3.987 4.320 0.039 0.000 0.218 412 A C 2.201 179.745 177.584 -0.068 0.000 1.181 412 A CA 2.474 54.439 52.037 -0.120 0.000 0.627 412 A CB -0.613 18.370 19.000 -0.029 0.000 0.818 412 A HN 0.614 nan 8.150 nan 0.000 0.445 413 Q N -0.803 118.971 119.800 -0.044 0.000 2.050 413 Q HA -0.164 4.200 4.340 0.039 0.000 0.202 413 Q C 1.911 177.885 176.000 -0.044 0.000 0.980 413 Q CA 1.924 57.714 55.803 -0.021 0.000 0.840 413 Q CB -0.410 28.313 28.738 -0.024 0.000 0.898 413 Q HN 0.519 nan 8.270 nan 0.000 0.424 414 L N 0.238 121.408 121.223 -0.089 0.000 2.017 414 L HA -0.053 4.310 4.340 0.039 0.000 0.208 414 L C 2.207 179.000 176.870 -0.128 0.000 1.073 414 L CA 2.237 57.009 54.840 -0.113 0.000 0.745 414 L CB -1.030 40.947 42.059 -0.136 0.000 0.894 414 L HN 0.315 nan 8.230 nan 0.000 0.432 415 A N -0.555 122.153 122.820 -0.187 0.000 1.908 415 A HA -0.117 4.226 4.320 0.039 0.000 0.218 415 A C 2.339 179.895 177.584 -0.045 0.000 1.181 415 A CA 1.716 53.589 52.037 -0.272 0.000 0.627 415 A CB -1.632 16.939 19.000 -0.715 0.000 0.818 415 A HN 0.541 nan 8.150 nan 0.000 0.445 416 G N -0.776 108.062 108.800 0.062 0.000 2.418 416 G HA2 -0.197 3.786 3.960 0.039 0.000 0.217 416 G HA3 -0.197 3.786 3.960 0.039 0.000 0.217 416 G C 1.687 176.660 174.900 0.121 0.000 1.158 416 G CA 0.790 46.013 45.100 0.205 0.000 0.771 416 G HN 0.395 nan 8.290 nan 0.000 0.545 417 R N 0.253 120.791 120.500 0.063 0.000 2.075 417 R HA 0.129 4.493 4.340 0.039 0.000 0.232 417 R C 2.677 179.031 176.300 0.090 0.000 1.126 417 R CA 0.513 56.658 56.100 0.075 0.000 0.963 417 R CB -1.197 29.138 30.300 0.058 0.000 0.858 417 R HN 0.400 nan 8.270 nan 0.000 0.435 418 L N 0.361 121.582 121.223 -0.003 0.000 2.046 418 L HA -0.131 4.232 4.340 0.039 0.000 0.208 418 L C 2.618 179.535 176.870 0.079 0.000 1.077 418 L CA 1.427 56.238 54.840 -0.047 0.000 0.747 418 L CB -0.704 41.230 42.059 -0.208 0.000 0.896 418 L HN 0.147 nan 8.230 nan 0.000 0.432 419 A N 0.176 123.051 122.820 0.092 0.000 1.877 419 A HA -0.162 4.181 4.320 0.039 0.000 0.216 419 A C 2.536 180.180 177.584 0.100 0.000 1.186 419 A CA 1.709 53.813 52.037 0.111 0.000 0.620 419 A CB -0.787 18.317 19.000 0.175 0.000 0.822 419 A HN 0.386 nan 8.150 nan 0.000 0.443 420 A N -1.177 121.706 122.820 0.105 0.000 2.024 420 A HA -0.160 4.183 4.320 0.039 0.000 0.220 420 A C 1.851 179.492 177.584 0.095 0.000 1.164 420 A CA 1.694 53.783 52.037 0.087 0.000 0.643 420 A CB -0.347 18.703 19.000 0.084 0.000 0.806 420 A HN 0.628 nan 8.150 nan 0.000 0.451 421 Q N -1.910 117.976 119.800 0.144 0.000 2.201 421 Q HA 0.393 4.756 4.340 0.039 0.000 0.236 421 Q C 0.795 176.893 176.000 0.165 0.000 0.857 421 Q CA 0.405 56.304 55.803 0.159 0.000 1.025 421 Q CB 0.522 29.399 28.738 0.232 0.000 1.124 421 Q HN 0.789 nan 8.270 nan 0.000 0.473 422 G N -0.431 108.447 108.800 0.130 0.000 2.179 422 G HA2 -0.239 3.744 3.960 0.039 0.000 0.220 422 G HA3 -0.239 3.744 3.960 0.039 0.000 0.220 422 G C 0.264 175.231 174.900 0.112 0.000 0.990 422 G CA -0.222 44.937 45.100 0.099 0.000 0.646 422 G HN 0.511 nan 8.290 nan 0.000 0.517 423 A N 0.116 123.024 122.820 0.146 0.000 2.351 423 A HA 0.714 5.058 4.320 0.039 0.000 0.257 423 A C 0.695 178.318 177.584 0.065 0.000 1.087 423 A CA 0.484 52.592 52.037 0.119 0.000 0.798 423 A CB 0.330 19.387 19.000 0.096 0.000 1.033 423 A HN 0.818 nan 8.150 nan 0.000 0.488 424 R N 1.697 122.233 120.500 0.061 0.000 2.216 424 R HA 0.482 4.845 4.340 0.039 0.000 0.332 424 R C -1.469 174.830 176.300 -0.003 0.000 1.056 424 R CA -0.123 55.983 56.100 0.010 0.000 0.901 424 R CB 0.273 30.608 30.300 0.060 0.000 1.039 424 R HN 0.451 nan 8.270 nan 0.000 0.456 425 V N 5.835 125.679 119.914 -0.117 0.000 2.555 425 V HA 0.416 4.559 4.120 0.039 0.000 0.302 425 V C -1.106 174.824 176.094 -0.274 0.000 1.038 425 V CA -0.779 61.471 62.300 -0.083 0.000 0.887 425 V CB 1.545 33.377 31.823 0.015 0.000 0.991 425 V HN 0.652 nan 8.190 nan 0.000 0.434 426 Y N 2.072 122.336 120.300 -0.060 0.000 2.409 426 Y HA 0.799 5.372 4.550 0.038 0.000 0.343 426 Y C 0.294 176.260 175.900 0.111 0.000 0.973 426 Y CA -0.564 57.492 58.100 -0.074 0.000 1.064 426 Y CB 2.248 40.317 38.460 -0.652 0.000 1.207 426 Y HN 0.770 nan 8.280 nan 0.000 0.452 427 A N 3.067 126.248 122.820 0.601 0.000 2.401 427 A HA 0.872 5.216 4.320 0.039 0.000 0.310 427 A C -1.843 176.142 177.584 0.669 0.000 1.075 427 A CA -0.715 51.579 52.037 0.427 0.000 0.746 427 A CB 1.041 20.124 19.000 0.138 0.000 1.277 427 A HN 0.756 nan 8.150 nan 0.000 0.425 428 Y N -0.522 120.025 120.300 0.411 0.000 2.588 428 Y HA 0.798 5.371 4.550 0.038 0.000 0.343 428 Y C -1.123 174.962 175.900 0.308 0.000 1.065 428 Y CA -1.559 56.736 58.100 0.325 0.000 1.038 428 Y CB 1.338 39.977 38.460 0.299 0.000 1.297 428 Y HN 0.703 nan 8.280 nan 0.000 0.467 429 I N 3.155 124.027 120.570 0.502 0.000 2.465 429 I HA 0.483 4.676 4.170 0.039 0.000 0.291 429 I C -1.840 174.615 176.117 0.563 0.000 1.014 429 I CA -1.054 60.507 61.300 0.436 0.000 1.093 429 I CB 1.157 39.360 38.000 0.339 0.000 1.267 429 I HN 0.736 nan 8.210 nan 0.000 0.431 430 F N 7.349 127.584 119.950 0.476 0.000 2.391 430 F HA 0.417 4.968 4.527 0.040 0.000 0.359 430 F C 0.503 176.466 175.800 0.272 0.000 1.122 430 F CA 0.015 58.249 58.000 0.392 0.000 1.120 430 F CB 0.927 40.184 39.000 0.428 0.000 1.142 430 F HN 0.557 nan 8.300 nan 0.000 0.483 431 E N 3.057 123.138 120.200 -0.199 0.000 2.630 431 E HA -0.018 4.355 4.350 0.039 0.000 0.218 431 E C -0.755 175.732 176.600 -0.189 0.000 0.977 431 E CA -0.162 56.188 56.400 -0.084 0.000 1.038 431 E CB 0.302 29.979 29.700 -0.038 0.000 1.051 431 E HN 0.519 nan 8.360 nan 0.000 0.487 432 H N 1.624 120.346 119.070 -0.580 0.000 2.604 432 H HA 0.234 4.813 4.556 0.038 0.000 0.306 432 H C -0.421 174.860 175.328 -0.079 0.000 1.075 432 H CA -0.477 55.300 56.048 -0.451 0.000 1.357 432 H CB 0.550 29.834 29.762 -0.795 0.000 1.426 432 H HN -0.148 nan 8.280 nan 0.000 0.470 433 R N 4.132 124.282 120.500 -0.584 0.000 2.234 433 R HA 0.492 4.856 4.340 0.039 0.000 0.324 433 R C -0.580 175.442 176.300 -0.463 0.000 1.054 433 R CA -0.620 55.300 56.100 -0.300 0.000 0.912 433 R CB 0.386 30.598 30.300 -0.147 0.000 1.030 433 R HN 0.810 nan 8.270 nan 0.000 0.455 434 A N 3.094 125.968 122.820 0.091 0.000 2.546 434 A HA 0.010 4.353 4.320 0.039 0.000 0.243 434 A C 1.326 179.028 177.584 0.196 0.000 1.063 434 A CA 0.478 52.778 52.037 0.439 0.000 0.757 434 A CB 0.319 19.707 19.000 0.647 0.000 0.991 434 A HN 1.021 nan 8.150 nan 0.000 0.503 435 S N 1.463 117.315 115.700 0.254 0.000 2.419 435 S HA -0.150 4.344 4.470 0.039 0.000 0.233 435 S C 1.299 175.907 174.600 0.014 0.000 1.016 435 S CA 1.584 59.854 58.200 0.115 0.000 0.974 435 S CB -0.732 62.558 63.200 0.150 0.000 0.786 435 S HN 1.222 nan 8.310 nan 0.000 0.492 436 T N -0.680 113.848 114.554 -0.043 0.000 3.122 436 T HA 0.385 4.758 4.350 0.039 0.000 0.250 436 T C 0.289 174.930 174.700 -0.099 0.000 1.067 436 T CA -0.601 61.410 62.100 -0.148 0.000 0.966 436 T CB -0.436 68.210 68.868 -0.369 0.000 1.002 436 T HN 0.234 nan 8.240 nan 0.000 0.542 437 L N 4.063 125.270 121.223 -0.026 0.000 2.499 437 L HA 0.264 4.627 4.340 0.039 0.000 0.273 437 L C 1.510 178.341 176.870 -0.065 0.000 1.195 437 L CA 0.768 55.587 54.840 -0.035 0.000 0.882 437 L CB 0.761 42.807 42.059 -0.022 0.000 1.133 437 L HN 0.431 nan 8.230 nan 0.000 0.483 438 T N -0.239 114.240 114.554 -0.125 0.000 3.044 438 T HA 0.098 4.471 4.350 0.039 0.000 0.250 438 T C 0.447 175.149 174.700 0.002 0.000 1.081 438 T CA -0.412 61.612 62.100 -0.126 0.000 1.040 438 T CB -0.336 68.334 68.868 -0.330 0.000 0.962 438 T HN 0.437 nan 8.240 nan 0.000 0.506 439 W N 3.451 124.772 121.300 0.036 0.000 2.126 439 W HA 0.399 5.082 4.660 0.038 0.000 0.346 439 W C -1.964 174.461 176.519 -0.157 0.000 1.279 439 W CA -2.173 55.155 57.345 -0.027 0.000 1.259 439 W CB 0.158 29.526 29.460 -0.153 0.000 1.133 439 W HN -0.014 nan 8.180 nan 0.000 0.592 440 P HA 0.010 nan 4.420 nan 0.000 0.272 440 P C 0.548 177.768 177.300 -0.135 0.000 1.230 440 P CA 0.013 63.068 63.100 -0.074 0.000 0.788 440 P CB 0.869 32.519 31.700 -0.083 0.000 0.949 441 L N 0.408 121.619 121.223 -0.020 0.000 2.079 441 L HA -0.157 4.206 4.340 0.039 0.000 0.210 441 L C 2.599 179.494 176.870 0.041 0.000 1.081 441 L CA 1.579 56.428 54.840 0.014 0.000 0.752 441 L CB -0.878 41.217 42.059 0.060 0.000 0.896 441 L HN 0.616 nan 8.230 nan 0.000 0.433 442 W N -0.519 120.816 121.300 0.057 0.000 2.392 442 W HA -0.185 4.498 4.660 0.037 0.000 0.279 442 W C 1.796 178.364 176.519 0.082 0.000 1.225 442 W CA 0.634 58.016 57.345 0.062 0.000 1.233 442 W CB -0.808 28.690 29.460 0.064 0.000 1.122 442 W HN 0.180 nan 8.180 nan 0.000 0.561 443 M N 1.322 120.568 119.600 -0.590 0.000 2.476 443 M HA 0.102 4.606 4.480 0.039 0.000 0.262 443 M C 1.784 177.995 176.300 -0.149 0.000 1.079 443 M CA 1.644 56.605 55.300 -0.565 0.000 1.104 443 M CB -0.711 31.395 32.600 -0.824 0.000 1.409 443 M HN 0.226 nan 8.290 nan 0.000 0.467 444 G N 0.512 109.274 108.800 -0.065 0.000 2.561 444 G HA2 -0.284 3.699 3.960 0.039 0.000 0.289 444 G HA3 -0.284 3.699 3.960 0.039 0.000 0.289 444 G C -0.170 174.744 174.900 0.023 0.000 1.169 444 G CA -0.207 44.903 45.100 0.017 0.000 0.980 444 G HN 0.215 nan 8.290 nan 0.000 0.550 445 V N 3.888 123.859 119.914 0.095 0.000 2.284 445 V HA 0.462 4.605 4.120 0.039 0.000 0.260 445 V C -1.738 174.494 176.094 0.231 0.000 1.084 445 V CA -0.648 61.761 62.300 0.182 0.000 0.894 445 V CB 0.896 32.874 31.823 0.259 0.000 1.119 445 V HN 0.552 nan 8.190 nan 0.000 0.484 446 P HA 0.213 nan 4.420 nan 0.000 0.278 446 P C -0.247 177.295 177.300 0.404 0.000 1.258 446 P CA -0.682 62.561 63.100 0.239 0.000 0.811 446 P CB 0.402 32.141 31.700 0.066 0.000 1.063 447 H N 0.536 119.718 119.070 0.186 0.000 3.231 447 H HA 0.201 4.780 4.556 0.038 0.000 0.280 447 H C 1.515 176.797 175.328 -0.077 0.000 0.901 447 H CA 2.461 58.548 56.048 0.065 0.000 1.414 447 H CB -0.902 28.861 29.762 0.002 0.000 1.433 447 H HN 0.757 nan 8.280 nan 0.000 0.549 448 G N 3.515 112.120 108.800 -0.325 0.000 2.218 448 G HA2 -0.284 3.699 3.960 0.039 0.000 0.216 448 G HA3 -0.284 3.699 3.960 0.039 0.000 0.216 448 G C 0.531 175.293 174.900 -0.230 0.000 0.994 448 G CA 0.219 45.047 45.100 -0.453 0.000 0.637 448 G HN 0.615 nan 8.290 nan 0.000 0.505 449 Y N 1.648 122.053 120.300 0.176 0.000 2.493 449 Y HA 0.256 4.829 4.550 0.040 0.000 0.275 449 Y C 2.281 178.327 175.900 0.244 0.000 1.183 449 Y CA 0.818 59.088 58.100 0.283 0.000 1.258 449 Y CB 0.487 39.155 38.460 0.347 0.000 1.108 449 Y HN 0.465 nan 8.280 nan 0.000 0.521 450 E N 0.288 120.459 120.200 -0.049 0.000 2.385 450 E HA -0.061 4.312 4.350 0.039 0.000 0.194 450 E C 1.541 178.020 176.600 -0.202 0.000 1.013 450 E CA 0.719 56.740 56.400 -0.630 0.000 0.866 450 E CB -0.322 28.612 29.700 -1.276 0.000 0.832 450 E HN 0.545 nan 8.360 nan 0.000 0.500 451 I N 2.685 123.228 120.570 -0.044 0.000 2.179 451 I HA -0.276 3.917 4.170 0.039 0.000 0.242 451 I C 2.704 178.814 176.117 -0.012 0.000 1.088 451 I CA 1.922 63.238 61.300 0.027 0.000 1.357 451 I CB -0.481 37.610 38.000 0.152 0.000 1.051 451 I HN 0.189 nan 8.210 nan 0.000 0.409 452 E N 1.201 121.336 120.200 -0.108 0.000 2.209 452 E HA -0.241 4.132 4.350 0.039 0.000 0.196 452 E C 1.998 178.327 176.600 -0.452 0.000 0.993 452 E CA 1.531 57.758 56.400 -0.289 0.000 0.819 452 E CB -0.515 28.986 29.700 -0.332 0.000 0.745 452 E HN 0.445 nan 8.360 nan 0.000 0.477 453 F N 1.177 121.015 119.950 -0.187 0.000 2.187 453 F HA -0.013 4.538 4.527 0.040 0.000 0.295 453 F C 2.345 177.910 175.800 -0.393 0.000 1.091 453 F CA 0.476 58.310 58.000 -0.277 0.000 1.308 453 F CB -0.130 38.794 39.000 -0.126 0.000 1.030 453 F HN -0.026 nan 8.300 nan 0.000 0.487 454 I N -0.760 119.639 120.570 -0.286 0.000 2.226 454 I HA -0.272 3.922 4.170 0.039 0.000 0.245 454 I C 2.132 177.979 176.117 -0.450 0.000 1.100 454 I CA 1.619 62.583 61.300 -0.560 0.000 1.374 454 I CB -1.431 36.073 38.000 -0.827 0.000 1.057 454 I HN 0.086 nan 8.210 nan 0.000 0.413 455 F N 1.001 120.755 119.950 -0.326 0.000 2.604 455 F HA 0.136 4.686 4.527 0.038 0.000 0.298 455 F C 1.901 177.545 175.800 -0.260 0.000 1.131 455 F CA 0.991 58.840 58.000 -0.251 0.000 1.457 455 F CB -0.274 38.564 39.000 -0.270 0.000 1.095 455 F HN 0.308 nan 8.300 nan 0.000 0.574 456 G N -0.290 108.334 108.800 -0.293 0.000 2.132 456 G HA2 -0.277 3.706 3.960 0.039 0.000 0.234 456 G HA3 -0.277 3.706 3.960 0.039 0.000 0.234 456 G C 0.914 175.191 174.900 -1.039 0.000 0.989 456 G CA 0.250 45.059 45.100 -0.485 0.000 0.676 456 G HN 0.269 nan 8.290 nan 0.000 0.522 457 L N 0.584 121.218 121.223 -0.982 0.000 2.079 457 L HA 0.046 4.410 4.340 0.039 0.000 0.210 457 L C 0.396 176.752 176.870 -0.857 0.000 1.081 457 L CA 2.721 56.925 54.840 -1.061 0.000 0.752 457 L CB -1.022 40.708 42.059 -0.548 0.000 0.896 457 L HN 0.197 nan 8.230 nan 0.000 0.433 458 P HA -0.155 nan 4.420 nan 0.000 0.222 458 P C 1.541 178.646 177.300 -0.327 0.000 1.142 458 P CA 0.913 63.537 63.100 -0.794 0.000 0.788 458 P CB 0.006 31.194 31.700 -0.853 0.000 0.767 459 L N -1.250 119.736 121.223 -0.396 0.000 2.362 459 L HA -0.039 4.324 4.340 0.039 0.000 0.219 459 L C 0.929 177.769 176.870 -0.051 0.000 1.134 459 L CA 1.139 55.868 54.840 -0.185 0.000 0.807 459 L CB -1.218 40.757 42.059 -0.141 0.000 0.927 459 L HN -0.051 nan 8.230 nan 0.000 0.447 460 D N -0.072 120.283 120.400 -0.075 0.000 2.339 460 D HA 0.116 4.779 4.640 0.039 0.000 0.241 460 D C -1.649 174.690 176.300 0.064 0.000 1.183 460 D CA -2.188 51.861 54.000 0.082 0.000 0.859 460 D CB 1.431 42.327 40.800 0.159 0.000 1.067 460 D HN -0.059 nan 8.370 nan 0.000 0.484 461 P HA -0.108 nan 4.420 nan 0.000 0.223 461 P C 1.255 178.579 177.300 0.039 0.000 1.151 461 P CA 0.704 63.835 63.100 0.051 0.000 0.787 461 P CB 0.040 31.762 31.700 0.037 0.000 0.788 462 S N -0.544 115.176 115.700 0.034 0.000 2.469 462 S HA -0.083 4.410 4.470 0.039 0.000 0.238 462 S C 1.680 176.275 174.600 -0.009 0.000 0.998 462 S CA 0.857 59.064 58.200 0.011 0.000 0.957 462 S CB -1.468 61.739 63.200 0.012 0.000 0.764 462 S HN 0.133 nan 8.310 nan 0.000 0.514 463 L N 0.710 121.941 121.223 0.012 0.000 2.558 463 L HA 0.209 4.572 4.340 0.039 0.000 0.225 463 L C 0.284 177.057 176.870 -0.162 0.000 1.128 463 L CA -0.023 54.789 54.840 -0.047 0.000 0.868 463 L CB -0.718 41.383 42.059 0.071 0.000 1.006 463 L HN 0.244 nan 8.230 nan 0.000 0.454 464 N N -1.588 117.074 118.700 -0.063 0.000 2.776 464 N HA -0.217 4.546 4.740 0.039 0.000 0.250 464 N C -0.380 175.062 175.510 -0.112 0.000 1.112 464 N CA 0.771 53.770 53.050 -0.086 0.000 0.733 464 N CB -1.778 36.636 38.487 -0.121 0.000 1.097 464 N HN 0.310 nan 8.380 nan 0.000 0.558 465 Y N 1.135 121.430 120.300 -0.010 0.000 2.330 465 Y HA 0.176 4.749 4.550 0.038 0.000 0.341 465 Y C 2.034 177.962 175.900 0.047 0.000 1.278 465 Y CA 0.341 58.462 58.100 0.036 0.000 1.453 465 Y CB 0.367 38.845 38.460 0.030 0.000 1.342 465 Y HN 0.082 nan 8.280 nan 0.000 0.590 466 T N -3.097 111.611 114.554 0.258 0.000 2.788 466 T HA 0.073 4.447 4.350 0.039 0.000 0.287 466 T C 1.097 175.876 174.700 0.131 0.000 1.007 466 T CA -0.356 61.836 62.100 0.153 0.000 1.005 466 T CB 0.896 69.843 68.868 0.131 0.000 1.012 466 T HN 0.700 nan 8.240 nan 0.000 0.530 467 T N 1.135 115.737 114.554 0.080 0.000 2.759 467 T HA -0.092 4.282 4.350 0.039 0.000 0.269 467 T C 1.733 176.464 174.700 0.053 0.000 1.042 467 T CA 1.834 63.968 62.100 0.057 0.000 1.140 467 T CB -0.392 68.498 68.868 0.036 0.000 0.864 467 T HN 0.744 nan 8.240 nan 0.000 0.455 468 E N 1.034 121.263 120.200 0.048 0.000 2.106 468 E HA -0.051 4.322 4.350 0.039 0.000 0.192 468 E C 2.240 178.865 176.600 0.041 0.000 0.984 468 E CA 0.834 57.244 56.400 0.016 0.000 0.806 468 E CB -0.120 29.566 29.700 -0.025 0.000 0.750 468 E HN 0.561 nan 8.360 nan 0.000 0.458 469 E N 0.168 120.436 120.200 0.113 0.000 2.152 469 E HA -0.109 4.264 4.350 0.039 0.000 0.192 469 E C 2.068 178.783 176.600 0.192 0.000 0.983 469 E CA 0.345 56.891 56.400 0.244 0.000 0.818 469 E CB 0.059 30.037 29.700 0.464 0.000 0.758 469 E HN 0.026 nan 8.360 nan 0.000 0.467 470 R N 1.116 121.671 120.500 0.092 0.000 2.073 470 R HA -0.117 4.246 4.340 0.039 0.000 0.234 470 R C 2.190 178.499 176.300 0.015 0.000 1.134 470 R CA 1.102 57.206 56.100 0.008 0.000 0.952 470 R CB -0.381 29.923 30.300 0.007 0.000 0.850 470 R HN 0.209 nan 8.270 nan 0.000 0.433 471 I N 0.471 121.066 120.570 0.042 0.000 2.208 471 I HA -0.299 3.894 4.170 0.039 0.000 0.245 471 I C 2.320 178.481 176.117 0.074 0.000 1.097 471 I CA 1.149 62.471 61.300 0.038 0.000 1.363 471 I CB -0.392 37.628 38.000 0.034 0.000 1.051 471 I HN 0.124 nan 8.210 nan 0.000 0.413 472 F N 1.903 121.808 119.950 -0.074 0.000 2.134 472 F HA -0.178 4.373 4.527 0.040 0.000 0.299 472 F C 2.451 178.229 175.800 -0.037 0.000 1.097 472 F CA 1.226 59.170 58.000 -0.092 0.000 1.264 472 F CB -0.614 38.263 39.000 -0.204 0.000 1.001 472 F HN 0.001 nan 8.300 nan 0.000 0.479 473 A N 0.105 122.871 122.820 -0.090 0.000 1.908 473 A HA -0.248 4.095 4.320 0.039 0.000 0.218 473 A C 2.163 179.624 177.584 -0.205 0.000 1.181 473 A CA 1.868 53.790 52.037 -0.192 0.000 0.627 473 A CB -0.931 17.975 19.000 -0.157 0.000 0.818 473 A HN 0.601 nan 8.150 nan 0.000 0.445 474 Q N -0.798 118.921 119.800 -0.135 0.000 2.124 474 Q HA -0.180 4.183 4.340 0.039 0.000 0.202 474 Q C 2.356 178.260 176.000 -0.159 0.000 0.977 474 Q CA 1.552 57.284 55.803 -0.119 0.000 0.850 474 Q CB -0.173 28.523 28.738 -0.071 0.000 0.901 474 Q HN 0.636 nan 8.270 nan 0.000 0.429 475 R N 0.210 120.599 120.500 -0.185 0.000 2.066 475 R HA -0.088 4.275 4.340 0.039 0.000 0.232 475 R C 2.331 178.372 176.300 -0.432 0.000 1.131 475 R CA 1.070 56.981 56.100 -0.316 0.000 0.955 475 R CB -0.280 29.905 30.300 -0.192 0.000 0.851 475 R HN 0.229 nan 8.270 nan 0.000 0.432 476 L N 0.176 121.231 121.223 -0.281 0.000 2.017 476 L HA -0.179 4.184 4.340 0.039 0.000 0.208 476 L C 2.571 179.406 176.870 -0.058 0.000 1.073 476 L CA 1.394 56.159 54.840 -0.124 0.000 0.745 476 L CB -0.380 41.438 42.059 -0.402 0.000 0.894 476 L HN 0.231 nan 8.230 nan 0.000 0.432 477 M N -0.727 118.772 119.600 -0.168 0.000 2.144 477 M HA -0.231 4.273 4.480 0.039 0.000 0.260 477 M C 2.321 178.618 176.300 -0.006 0.000 1.067 477 M CA 1.602 56.838 55.300 -0.106 0.000 1.095 477 M CB -0.332 32.193 32.600 -0.126 0.000 1.365 477 M HN 0.094 nan 8.290 nan 0.000 0.406 478 K N -0.252 120.109 120.400 -0.066 0.000 2.025 478 K HA -0.123 4.220 4.320 0.039 0.000 0.207 478 K C 1.871 178.510 176.600 0.064 0.000 1.049 478 K CA 1.613 57.866 56.287 -0.056 0.000 0.933 478 K CB -0.359 32.042 32.500 -0.165 0.000 0.714 478 K HN 0.324 nan 8.250 nan 0.000 0.438 479 Y N -0.261 120.165 120.300 0.210 0.000 2.128 479 Y HA -0.233 4.340 4.550 0.039 0.000 0.284 479 Y C 2.442 178.462 175.900 0.200 0.000 1.154 479 Y CA 0.897 59.146 58.100 0.249 0.000 1.149 479 Y CB -0.793 37.953 38.460 0.476 0.000 0.976 479 Y HN 0.222 nan 8.280 nan 0.000 0.505 480 W N 0.555 121.927 121.300 0.119 0.000 2.358 480 W HA -0.212 4.471 4.660 0.038 0.000 0.303 480 W C 2.438 178.954 176.519 -0.005 0.000 1.208 480 W CA 2.230 59.585 57.345 0.017 0.000 1.274 480 W CB -0.576 28.825 29.460 -0.098 0.000 1.138 480 W HN 0.239 nan 8.180 nan 0.000 0.515 481 T N -2.471 112.185 114.554 0.170 0.000 2.985 481 T HA -0.101 4.272 4.350 0.039 0.000 0.266 481 T C 1.407 176.127 174.700 0.032 0.000 1.076 481 T CA 0.984 63.115 62.100 0.052 0.000 1.135 481 T CB -0.508 68.372 68.868 0.020 0.000 0.890 481 T HN -0.087 nan 8.240 nan 0.000 0.480 482 N N 0.913 119.649 118.700 0.061 0.000 2.142 482 N HA 0.027 4.790 4.740 0.039 0.000 0.186 482 N C 1.367 176.866 175.510 -0.017 0.000 1.023 482 N CA 0.847 53.912 53.050 0.024 0.000 0.852 482 N CB -0.683 37.837 38.487 0.054 0.000 0.998 482 N HN 0.423 nan 8.380 nan 0.000 0.424 483 F N 1.947 121.802 119.950 -0.158 0.000 2.095 483 F HA -0.177 4.374 4.527 0.040 0.000 0.298 483 F C 2.193 177.903 175.800 -0.151 0.000 1.104 483 F CA 1.461 59.317 58.000 -0.239 0.000 1.232 483 F CB -0.541 38.228 39.000 -0.385 0.000 0.987 483 F HN 0.045 nan 8.300 nan 0.000 0.475 484 A N 0.474 123.214 122.820 -0.134 0.000 1.908 484 A HA -0.220 4.123 4.320 0.039 0.000 0.218 484 A C 2.365 179.836 177.584 -0.188 0.000 1.181 484 A CA 1.943 53.879 52.037 -0.168 0.000 0.627 484 A CB -0.722 18.238 19.000 -0.068 0.000 0.818 484 A HN 0.483 nan 8.150 nan 0.000 0.445 485 R N -1.296 119.121 120.500 -0.138 0.000 2.090 485 R HA -0.056 4.308 4.340 0.039 0.000 0.228 485 R C 1.925 178.137 176.300 -0.147 0.000 1.110 485 R CA 1.791 57.824 56.100 -0.113 0.000 0.973 485 R CB -0.201 30.060 30.300 -0.065 0.000 0.869 485 R HN 0.737 nan 8.270 nan 0.000 0.440 486 T N -5.490 108.950 114.554 -0.190 0.000 2.986 486 T HA 0.232 4.606 4.350 0.039 0.000 0.264 486 T C 1.152 175.711 174.700 -0.235 0.000 0.964 486 T CA 0.350 62.349 62.100 -0.168 0.000 0.895 486 T CB 1.313 70.122 68.868 -0.099 0.000 1.163 486 T HN 0.310 nan 8.240 nan 0.000 0.517 487 G N 1.406 109.920 108.800 -0.476 0.000 2.143 487 G HA2 -0.165 3.818 3.960 0.039 0.000 0.248 487 G HA3 -0.165 3.818 3.960 0.039 0.000 0.248 487 G C -0.375 174.434 174.900 -0.152 0.000 0.991 487 G CA 0.243 44.979 45.100 -0.606 0.000 0.689 487 G HN 0.813 nan 8.290 nan 0.000 0.522 488 D N -0.839 119.467 120.400 -0.156 0.000 2.763 488 D HA 0.429 5.092 4.640 0.039 0.000 0.235 488 D C -1.524 174.613 176.300 -0.272 0.000 1.334 488 D CA -1.570 52.288 54.000 -0.236 0.000 0.950 488 D CB 1.986 42.750 40.800 -0.060 0.000 1.433 488 D HN -0.009 nan 8.370 nan 0.000 0.580 489 P HA -0.013 nan 4.420 nan 0.000 0.233 489 P C 0.044 177.368 177.300 0.040 0.000 1.167 489 P CA 0.054 62.988 63.100 -0.277 0.000 0.770 489 P CB 0.370 31.622 31.700 -0.746 0.000 0.837 490 N N 1.540 120.232 118.700 -0.013 0.000 2.508 490 N HA 0.004 4.768 4.740 0.039 0.000 0.264 490 N C 0.129 175.714 175.510 0.124 0.000 1.216 490 N CA 0.346 53.488 53.050 0.153 0.000 0.943 490 N CB 0.495 39.060 38.487 0.129 0.000 1.113 490 N HN 0.035 nan 8.380 nan 0.000 0.447 491 D N 1.754 122.240 120.400 0.144 0.000 2.358 491 D HA 0.080 4.743 4.640 0.039 0.000 0.258 491 D C -1.387 174.952 176.300 0.064 0.000 1.223 491 D CA -1.437 52.613 54.000 0.084 0.000 0.886 491 D CB 1.255 42.097 40.800 0.070 0.000 1.120 491 D HN 0.276 nan 8.370 nan 0.000 0.482 492 P HA -0.068 nan 4.420 nan 0.000 0.216 492 P C 0.444 177.764 177.300 0.034 0.000 1.153 492 P CA 1.067 64.188 63.100 0.035 0.000 0.848 492 P CB 0.223 31.935 31.700 0.020 0.000 0.787 493 R N 0.380 120.898 120.500 0.030 0.000 2.598 493 R HA 0.619 4.982 4.340 0.039 0.000 0.279 493 R C -0.504 175.817 176.300 0.035 0.000 0.984 493 R CA 0.019 56.136 56.100 0.029 0.000 0.999 493 R CB -0.859 29.454 30.300 0.022 0.000 1.114 493 R HN 0.230 nan 8.270 nan 0.000 0.493 494 D N -0.094 120.328 120.400 0.036 0.000 4.227 494 D HA -0.136 4.528 4.640 0.039 0.000 0.220 494 D C 0.177 176.508 176.300 0.052 0.000 1.428 494 D CA 0.877 54.902 54.000 0.042 0.000 0.971 494 D CB -0.548 40.280 40.800 0.046 0.000 0.411 494 D HN 0.769 nan 8.370 nan 0.000 0.177 495 S N 3.533 119.261 115.700 0.047 0.000 2.071 495 S HA 0.359 4.852 4.470 0.039 0.000 0.187 495 S C -0.091 174.545 174.600 0.060 0.000 1.376 495 S CA 1.237 59.468 58.200 0.051 0.000 1.398 495 S CB 0.124 63.349 63.200 0.041 0.000 0.641 495 S HN 0.836 nan 8.310 nan 0.000 0.392 496 K N 0.584 121.016 120.400 0.054 0.000 6.826 496 K HA -0.142 4.202 4.320 0.039 0.000 0.788 496 K C -0.842 175.799 176.600 0.068 0.000 2.287 496 K CA 0.435 56.756 56.287 0.056 0.000 1.704 496 K CB -1.153 31.381 32.500 0.057 0.000 2.053 496 K HN 0.613 nan 8.250 nan 0.000 0.296 497 S N 4.632 120.367 115.700 0.058 0.000 2.549 497 S HA 0.428 4.921 4.470 0.039 0.000 0.279 497 S C -2.069 172.565 174.600 0.057 0.000 1.321 497 S CA -1.006 57.231 58.200 0.060 0.000 1.054 497 S CB 0.595 63.824 63.200 0.047 0.000 0.899 497 S HN 0.355 nan 8.310 nan 0.000 0.497 498 P HA 0.382 nan 4.420 nan 0.000 0.301 498 P C -1.100 176.266 177.300 0.110 0.000 1.337 498 P CA -0.799 62.343 63.100 0.070 0.000 0.889 498 P CB 1.017 32.742 31.700 0.041 0.000 1.050 499 Q N 0.890 120.768 119.800 0.131 0.000 2.317 499 Q HA 0.179 4.542 4.340 0.039 0.000 0.229 499 Q C -0.624 175.529 176.000 0.255 0.000 0.984 499 Q CA -0.034 55.885 55.803 0.193 0.000 0.911 499 Q CB 1.067 29.912 28.738 0.179 0.000 1.217 499 Q HN 0.577 nan 8.270 nan 0.000 0.501 500 W N 5.249 126.605 121.300 0.093 0.000 2.416 500 W HA 0.285 4.969 4.660 0.041 0.000 0.318 500 W C -2.416 174.243 176.519 0.234 0.000 1.150 500 W CA -2.469 54.942 57.345 0.110 0.000 1.392 500 W CB 0.167 29.637 29.460 0.016 0.000 1.311 500 W HN 0.357 nan 8.180 nan 0.000 0.436 501 P HA 0.300 nan 4.420 nan 0.000 0.281 501 P C -2.628 174.853 177.300 0.300 0.000 1.249 501 P CA -1.824 61.493 63.100 0.362 0.000 0.810 501 P CB 0.825 32.653 31.700 0.212 0.000 1.008 502 P HA 0.067 nan 4.420 nan 0.000 0.269 502 P C -0.620 176.660 177.300 -0.034 0.000 1.209 502 P CA 0.111 62.995 63.100 -0.360 0.000 0.776 502 P CB 0.055 31.514 31.700 -0.401 0.000 0.876 503 Y N 2.679 122.919 120.300 -0.101 0.000 2.377 503 Y HA 0.334 4.907 4.550 0.038 0.000 0.330 503 Y C 0.470 176.358 175.900 -0.019 0.000 1.108 503 Y CA 0.708 58.818 58.100 0.017 0.000 1.308 503 Y CB 0.309 38.800 38.460 0.052 0.000 1.216 503 Y HN 0.412 nan 8.280 nan 0.000 0.518 504 T N 0.067 114.378 114.554 -0.405 0.000 2.901 504 T HA 0.246 4.619 4.350 0.039 0.000 0.293 504 T C 0.857 175.327 174.700 -0.383 0.000 1.084 504 T CA -0.209 61.745 62.100 -0.243 0.000 1.008 504 T CB 1.291 70.075 68.868 -0.139 0.000 1.170 504 T HN 0.639 nan 8.240 nan 0.000 0.509 505 T N -0.955 113.518 114.554 -0.135 0.000 2.904 505 T HA 0.059 4.432 4.350 0.039 0.000 0.267 505 T C 2.220 176.867 174.700 -0.087 0.000 1.059 505 T CA 0.916 62.971 62.100 -0.074 0.000 1.137 505 T CB -0.772 68.108 68.868 0.021 0.000 0.879 505 T HN 0.855 nan 8.240 nan 0.000 0.467 506 A N 1.996 124.767 122.820 -0.081 0.000 1.832 506 A HA 0.438 4.781 4.320 0.039 0.000 0.214 506 A C 2.732 180.271 177.584 -0.075 0.000 1.200 506 A CA 1.795 53.798 52.037 -0.057 0.000 0.610 506 A CB -1.322 17.655 19.000 -0.038 0.000 0.842 506 A HN 0.757 nan 8.150 nan 0.000 0.444 507 A N -2.543 120.209 122.820 -0.112 0.000 2.044 507 A HA 0.256 4.600 4.320 0.039 0.000 0.213 507 A C 1.006 178.511 177.584 -0.131 0.000 1.169 507 A CA 0.943 52.925 52.037 -0.091 0.000 0.724 507 A CB -0.239 18.723 19.000 -0.063 0.000 0.840 507 A HN 0.577 nan 8.150 nan 0.000 0.463 508 Q N -0.570 119.028 119.800 -0.337 0.000 2.475 508 Q HA -0.218 4.145 4.340 0.039 0.000 0.280 508 Q C -0.679 175.281 176.000 -0.067 0.000 1.234 508 Q CA 0.661 56.167 55.803 -0.495 0.000 0.873 508 Q CB -1.832 26.833 28.738 -0.121 0.000 1.256 508 Q HN 0.839 nan 8.270 nan 0.000 0.475 509 Q N 0.382 120.153 119.800 -0.049 0.000 2.288 509 Q HA 0.459 4.822 4.340 0.039 0.000 0.254 509 Q C -0.392 175.870 176.000 0.436 0.000 0.932 509 Q CA 0.046 55.943 55.803 0.158 0.000 0.902 509 Q CB 0.554 29.343 28.738 0.084 0.000 1.203 509 Q HN 0.333 nan 8.270 nan 0.000 0.415 510 Y N -1.260 119.178 120.300 0.229 0.000 2.689 510 Y HA 0.745 5.317 4.550 0.037 0.000 0.333 510 Y C -1.141 174.788 175.900 0.048 0.000 1.190 510 Y CA -1.546 56.700 58.100 0.244 0.000 1.063 510 Y CB 0.516 39.128 38.460 0.253 0.000 1.294 510 Y HN 0.342 nan 8.280 nan 0.000 0.466 511 V N -0.476 119.374 119.914 -0.106 0.000 2.864 511 V HA 0.849 4.992 4.120 0.039 0.000 0.314 511 V C -0.339 175.674 176.094 -0.135 0.000 1.073 511 V CA -0.597 61.485 62.300 -0.363 0.000 0.956 511 V CB 1.348 32.683 31.823 -0.813 0.000 1.023 511 V HN 1.202 nan 8.190 nan 0.000 0.435 512 S N 3.599 119.214 115.700 -0.142 0.000 2.475 512 S HA 0.692 5.186 4.470 0.039 0.000 0.281 512 S C -0.461 174.110 174.600 -0.049 0.000 1.198 512 S CA -0.651 57.539 58.200 -0.017 0.000 1.063 512 S CB 0.584 63.767 63.200 -0.029 0.000 0.972 512 S HN 0.761 nan 8.310 nan 0.000 0.486 513 L N 4.354 125.603 121.223 0.043 0.000 2.272 513 L HA 0.478 4.841 4.340 0.039 0.000 0.284 513 L C -0.150 176.677 176.870 -0.071 0.000 1.045 513 L CA -0.410 54.490 54.840 0.100 0.000 0.842 513 L CB -0.252 41.961 42.059 0.257 0.000 1.224 513 L HN 0.906 nan 8.230 nan 0.000 0.430 514 N N 2.019 120.598 118.700 -0.201 0.000 3.316 514 N HA 0.359 5.122 4.740 0.039 0.000 0.300 514 N C 0.276 175.242 175.510 -0.907 0.000 1.567 514 N CA -0.976 51.683 53.050 -0.652 0.000 0.821 514 N CB 0.656 38.925 38.487 -0.362 0.000 1.748 514 N HN 0.156 nan 8.380 nan 0.000 0.603 515 L N -0.799 119.887 121.223 -0.894 0.000 2.275 515 L HA 0.048 4.411 4.340 0.039 0.000 0.215 515 L C 0.583 177.267 176.870 -0.311 0.000 1.119 515 L CA 0.971 55.403 54.840 -0.680 0.000 0.790 515 L CB -0.502 41.243 42.059 -0.523 0.000 0.919 515 L HN 0.403 nan 8.230 nan 0.000 0.443 516 K N 0.378 120.640 120.400 -0.231 0.000 2.138 516 K HA 0.245 4.589 4.320 0.039 0.000 0.251 516 K C -2.149 174.409 176.600 -0.069 0.000 1.015 516 K CA -1.906 54.310 56.287 -0.120 0.000 0.917 516 K CB -0.154 32.288 32.500 -0.096 0.000 1.021 516 K HN -0.195 nan 8.250 nan 0.000 0.485 517 P HA -0.046 nan 4.420 nan 0.000 0.268 517 P C -0.210 177.089 177.300 -0.001 0.000 1.208 517 P CA -0.034 63.073 63.100 0.012 0.000 0.777 517 P CB 0.367 32.076 31.700 0.014 0.000 0.875 518 L N 1.675 122.914 121.223 0.025 0.000 2.615 518 L HA -0.089 4.274 4.340 0.039 0.000 0.284 518 L C 1.100 177.930 176.870 -0.067 0.000 1.237 518 L CA 0.961 55.774 54.840 -0.045 0.000 0.905 518 L CB -0.213 41.816 42.059 -0.051 0.000 1.149 518 L HN 0.521 nan 8.230 nan 0.000 0.499 519 E N 3.253 123.386 120.200 -0.112 0.000 2.210 519 E HA 0.401 4.775 4.350 0.039 0.000 0.266 519 E C -1.383 175.115 176.600 -0.170 0.000 0.883 519 E CA -0.799 55.535 56.400 -0.109 0.000 0.761 519 E CB 1.978 31.623 29.700 -0.092 0.000 1.156 519 E HN 0.298 nan 8.360 nan 0.000 0.412 520 V N 4.949 124.778 119.914 -0.143 0.000 2.498 520 V HA 0.416 4.559 4.120 0.039 0.000 0.279 520 V C 0.287 176.243 176.094 -0.230 0.000 1.048 520 V CA -0.234 61.960 62.300 -0.176 0.000 0.967 520 V CB 0.968 32.745 31.823 -0.076 0.000 0.988 520 V HN 0.692 nan 8.190 nan 0.000 0.473 521 R N 3.769 124.011 120.500 -0.430 0.000 2.892 521 R HA 0.740 5.103 4.340 0.039 0.000 0.265 521 R C -0.841 175.270 176.300 -0.316 0.000 1.025 521 R CA -1.031 54.801 56.100 -0.446 0.000 0.982 521 R CB 2.469 32.335 30.300 -0.722 0.000 1.185 521 R HN 0.589 nan 8.270 nan 0.000 0.484 522 R N 0.040 120.519 120.500 -0.035 0.000 2.534 522 R HA 0.506 4.869 4.340 0.039 0.000 0.301 522 R C -0.815 175.662 176.300 0.295 0.000 0.961 522 R CA -0.487 55.694 56.100 0.135 0.000 0.871 522 R CB 2.190 32.527 30.300 0.061 0.000 1.170 522 R HN 0.896 nan 8.270 nan 0.000 0.446 523 G N 2.448 111.480 108.800 0.387 0.000 3.391 523 G HA2 -0.188 3.795 3.960 0.039 0.000 0.683 523 G HA3 -0.188 3.795 3.960 0.039 0.000 0.683 523 G C -1.244 173.831 174.900 0.292 0.000 1.071 523 G CA -0.956 44.318 45.100 0.290 0.000 0.904 523 G HN 0.381 nan 8.290 nan 0.000 0.452 524 L N 4.247 125.541 121.223 0.119 0.000 2.328 524 L HA 0.566 4.929 4.340 0.039 0.000 0.280 524 L C 1.508 178.385 176.870 0.011 0.000 1.111 524 L CA -0.557 54.198 54.840 -0.143 0.000 0.909 524 L CB -0.222 41.662 42.059 -0.290 0.000 1.277 524 L HN 0.677 nan 8.230 nan 0.000 0.433 525 R N 2.890 123.434 120.500 0.073 0.000 3.322 525 R HA -0.271 4.092 4.340 0.039 0.000 0.253 525 R C 1.279 177.670 176.300 0.152 0.000 0.987 525 R CA 0.727 56.906 56.100 0.131 0.000 0.666 525 R CB -2.187 28.201 30.300 0.147 0.000 1.072 525 R HN 0.764 nan 8.270 nan 0.000 0.447 526 A N 0.629 123.536 122.820 0.145 0.000 1.883 526 A HA -0.241 4.102 4.320 0.039 0.000 0.217 526 A C 2.071 179.747 177.584 0.152 0.000 1.186 526 A CA 1.275 53.398 52.037 0.144 0.000 0.624 526 A CB -0.095 18.983 19.000 0.131 0.000 0.822 526 A HN 0.402 nan 8.150 nan 0.000 0.444 527 Q N -0.724 119.165 119.800 0.148 0.000 2.046 527 Q HA -0.094 4.269 4.340 0.039 0.000 0.200 527 Q C 2.232 178.359 176.000 0.212 0.000 0.975 527 Q CA 2.026 57.921 55.803 0.155 0.000 0.836 527 Q CB -1.131 27.681 28.738 0.124 0.000 0.896 527 Q HN 0.654 nan 8.270 nan 0.000 0.428 528 T N 0.468 115.169 114.554 0.245 0.000 2.821 528 T HA -0.098 4.275 4.350 0.039 0.000 0.267 528 T C 2.009 176.937 174.700 0.380 0.000 1.046 528 T CA 1.047 63.326 62.100 0.298 0.000 1.139 528 T CB -0.219 68.865 68.868 0.359 0.000 0.871 528 T HN 0.306 nan 8.240 nan 0.000 0.454 529 c N 1.563 120.362 118.600 0.332 0.000 2.446 529 c HA 0.273 4.867 4.570 0.039 0.000 0.279 529 c C 3.124 177.378 174.090 0.273 0.000 1.366 529 c CA -0.041 56.493 56.329 0.341 0.000 1.763 529 c CB -1.355 41.285 42.510 0.217 0.000 1.929 529 c HN 0.637 nan 8.230 nan 0.000 0.509 530 A N 0.334 123.286 122.820 0.219 0.000 1.933 530 A HA -0.202 4.141 4.320 0.039 0.000 0.218 530 A C 1.860 179.558 177.584 0.190 0.000 1.175 530 A CA 1.633 53.777 52.037 0.178 0.000 0.628 530 A CB -0.783 18.308 19.000 0.151 0.000 0.814 530 A HN 0.554 nan 8.150 nan 0.000 0.444 531 F N -0.793 119.167 119.950 0.017 0.000 2.069 531 F HA -0.187 4.366 4.527 0.042 0.000 0.298 531 F C 1.950 177.721 175.800 -0.049 0.000 1.113 531 F CA 1.811 59.745 58.000 -0.111 0.000 1.214 531 F CB -0.591 38.091 39.000 -0.530 0.000 0.978 531 F HN 0.380 nan 8.300 nan 0.000 0.474 532 W N 0.542 121.786 121.300 -0.095 0.000 2.409 532 W HA -0.117 4.566 4.660 0.037 0.000 0.299 532 W C 2.216 178.667 176.519 -0.114 0.000 1.203 532 W CA 1.044 58.291 57.345 -0.162 0.000 1.298 532 W CB -0.568 28.928 29.460 0.060 0.000 1.127 532 W HN -0.042 nan 8.180 nan 0.000 0.528 533 N N -0.457 118.360 118.700 0.195 0.000 2.415 533 N HA 0.027 4.790 4.740 0.039 0.000 0.176 533 N C 1.469 177.011 175.510 0.053 0.000 1.042 533 N CA 0.911 54.027 53.050 0.109 0.000 0.902 533 N CB -0.164 38.387 38.487 0.107 0.000 0.986 533 N HN 0.248 nan 8.380 nan 0.000 0.447 534 R N -1.328 119.206 120.500 0.056 0.000 2.167 534 R HA 0.222 4.585 4.340 0.039 0.000 0.195 534 R C 1.450 177.771 176.300 0.035 0.000 1.027 534 R CA -0.010 56.122 56.100 0.053 0.000 1.114 534 R CB -0.261 30.095 30.300 0.093 0.000 1.075 534 R HN 0.046 nan 8.270 nan 0.000 0.538 535 F N 1.867 121.744 119.950 -0.121 0.000 2.118 535 F HA 0.085 4.636 4.527 0.040 0.000 0.293 535 F C 1.840 177.504 175.800 -0.227 0.000 1.102 535 F CA 1.135 59.044 58.000 -0.151 0.000 1.247 535 F CB -0.202 38.725 39.000 -0.121 0.000 1.017 535 F HN -0.152 nan 8.300 nan 0.000 0.475 536 L N 0.443 121.325 121.223 -0.567 0.000 2.079 536 L HA -0.163 4.201 4.340 0.039 0.000 0.210 536 L C -0.469 176.154 176.870 -0.412 0.000 1.081 536 L CA 1.376 55.845 54.840 -0.618 0.000 0.752 536 L CB -2.065 39.665 42.059 -0.549 0.000 0.896 536 L HN 0.156 nan 8.230 nan 0.000 0.433 537 P HA -0.190 nan 4.420 nan 0.000 0.215 537 P C 1.361 178.535 177.300 -0.210 0.000 1.157 537 P CA 1.416 64.410 63.100 -0.176 0.000 0.868 537 P CB 0.016 31.655 31.700 -0.101 0.000 0.788 538 K N -1.070 119.178 120.400 -0.253 0.000 2.152 538 K HA -0.154 4.189 4.320 0.039 0.000 0.206 538 K C 1.959 178.372 176.600 -0.312 0.000 1.048 538 K CA 0.986 57.133 56.287 -0.232 0.000 0.933 538 K CB -0.806 31.585 32.500 -0.182 0.000 0.721 538 K HN 0.060 nan 8.250 nan 0.000 0.447 539 L N 1.150 122.052 121.223 -0.536 0.000 2.005 539 L HA -0.124 4.239 4.340 0.039 0.000 0.207 539 L C 1.764 178.486 176.870 -0.248 0.000 1.072 539 L CA 1.689 56.244 54.840 -0.474 0.000 0.744 539 L CB -0.379 41.280 42.059 -0.666 0.000 0.895 539 L HN 0.123 nan 8.230 nan 0.000 0.433 540 L N -0.520 120.571 121.223 -0.219 0.000 2.313 540 L HA -0.054 4.309 4.340 0.039 0.000 0.214 540 L C 2.509 179.319 176.870 -0.100 0.000 1.119 540 L CA 1.052 55.813 54.840 -0.132 0.000 0.809 540 L CB -0.720 41.273 42.059 -0.110 0.000 0.933 540 L HN 0.520 nan 8.230 nan 0.000 0.449 541 S N -0.278 115.357 115.700 -0.108 0.000 2.481 541 S HA -0.002 4.491 4.470 0.039 0.000 0.231 541 S C 1.677 176.237 174.600 -0.067 0.000 0.996 541 S CA 0.693 58.846 58.200 -0.078 0.000 0.942 541 S CB 0.181 63.337 63.200 -0.074 0.000 0.768 541 S HN 0.349 nan 8.310 nan 0.000 0.520 542 A N 0.661 123.433 122.820 -0.080 0.000 2.106 542 A HA 0.591 4.934 4.320 0.039 0.000 0.218 542 A C 0.954 178.507 177.584 -0.051 0.000 1.718 542 A CA 0.813 52.816 52.037 -0.058 0.000 0.768 542 A CB -0.479 18.488 19.000 -0.055 0.000 1.321 542 A HN 0.705 nan 8.150 nan 0.000 0.567 543 T N 0.000 114.517 114.554 -0.061 0.000 3.816 543 T HA 0.000 4.373 4.350 0.039 0.000 0.228 543 T CA 0.000 62.073 62.100 -0.045 0.000 1.349 543 T CB 0.000 68.843 68.868 -0.042 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658