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 2wu3_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGEX DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.625 176.600 0.041 0.000 1.382 4 E CA 0.000 56.418 56.400 0.029 0.000 0.976 4 E CB 0.000 29.718 29.700 0.029 0.000 0.812 5 D N 6.254 126.686 120.400 0.053 0.000 2.346 5 D HA 0.129 4.795 4.640 0.043 0.000 0.260 5 D C -1.392 174.959 176.300 0.085 0.000 1.252 5 D CA -2.002 52.046 54.000 0.080 0.000 0.895 5 D CB 1.388 42.256 40.800 0.114 0.000 1.097 5 D HN 0.298 nan 8.370 nan 0.000 0.489 6 P HA -0.088 nan 4.420 nan 0.000 0.234 6 P C 0.909 178.241 177.300 0.053 0.000 1.167 6 P CA 0.481 63.610 63.100 0.049 0.000 0.763 6 P CB 0.544 32.258 31.700 0.024 0.000 0.835 7 Q N -0.527 119.312 119.800 0.066 0.000 2.389 7 Q HA 0.137 4.503 4.340 0.043 0.000 0.204 7 Q C 1.726 177.845 176.000 0.198 0.000 0.944 7 Q CA 0.679 56.513 55.803 0.051 0.000 0.908 7 Q CB 0.005 28.677 28.738 -0.110 0.000 1.002 7 Q HN 0.409 nan 8.270 nan 0.000 0.493 8 L N -0.049 121.300 121.223 0.210 0.000 2.667 8 L HA 0.252 4.618 4.340 0.043 0.000 0.232 8 L C 0.302 177.372 176.870 0.332 0.000 1.138 8 L CA -0.044 54.951 54.840 0.258 0.000 0.921 8 L CB 0.434 42.554 42.059 0.102 0.000 1.180 8 L HN -0.047 nan 8.230 nan 0.000 0.487 9 L N 1.359 122.710 121.223 0.215 0.000 2.280 9 L HA 0.520 4.886 4.340 0.043 0.000 0.287 9 L C -0.755 176.142 176.870 0.046 0.000 1.023 9 L CA -0.262 54.663 54.840 0.142 0.000 0.819 9 L CB 2.025 44.131 42.059 0.077 0.000 1.212 9 L HN -0.156 nan 8.230 nan 0.000 0.420 10 V N 4.082 123.983 119.914 -0.022 0.000 2.914 10 V HA 0.523 4.669 4.120 0.043 0.000 0.314 10 V C -0.338 175.661 176.094 -0.157 0.000 1.084 10 V CA -0.871 61.275 62.300 -0.256 0.000 0.963 10 V CB 2.741 34.116 31.823 -0.748 0.000 1.025 10 V HN 0.715 nan 8.190 nan 0.000 0.432 11 R N 2.532 122.912 120.500 -0.200 0.000 2.388 11 R HA 0.728 5.094 4.340 0.043 0.000 0.314 11 R C -0.906 175.307 176.300 -0.145 0.000 0.959 11 R CA -0.347 55.685 56.100 -0.114 0.000 0.851 11 R CB 1.625 31.867 30.300 -0.095 0.000 1.168 11 R HN 0.724 nan 8.270 nan 0.000 0.472 12 V N 1.587 121.466 119.914 -0.059 0.000 3.211 12 V HA 0.460 4.606 4.120 0.043 0.000 0.319 12 V C 1.175 177.196 176.094 -0.122 0.000 1.096 12 V CA -0.877 61.385 62.300 -0.064 0.000 1.029 12 V CB 1.615 33.521 31.823 0.138 0.000 1.137 12 V HN 0.826 nan 8.190 nan 0.000 0.453 13 R N 0.833 121.245 120.500 -0.146 0.000 2.316 13 R HA -0.046 4.320 4.340 0.043 0.000 0.232 13 R C 1.772 177.932 176.300 -0.233 0.000 1.137 13 R CA 1.400 57.405 56.100 -0.159 0.000 1.012 13 R CB -0.527 29.695 30.300 -0.130 0.000 0.859 13 R HN 0.982 nan 8.270 nan 0.000 0.474 14 G N -0.768 107.817 108.800 -0.358 0.000 2.921 14 G HA2 0.355 4.341 3.960 0.043 0.000 0.213 14 G HA3 0.355 4.341 3.960 0.043 0.000 0.213 14 G C 0.403 174.337 174.900 -1.611 0.000 1.143 14 G CA 0.467 45.071 45.100 -0.826 0.000 0.764 14 G HN 0.516 nan 8.290 nan 0.000 0.542 15 G N -0.866 107.299 108.800 -1.058 0.000 2.339 15 G HA2 0.202 4.188 3.960 0.043 0.000 0.275 15 G HA3 0.202 4.188 3.960 0.043 0.000 0.275 15 G C -1.545 173.303 174.900 -0.088 0.000 1.323 15 G CA -0.881 43.707 45.100 -0.854 0.000 0.927 15 G HN 0.230 nan 8.290 nan 0.000 0.486 16 Q N -0.410 119.537 119.800 0.244 0.000 2.245 16 Q HA 0.721 5.087 4.340 0.043 0.000 0.256 16 Q C -0.760 175.516 176.000 0.461 0.000 0.942 16 Q CA -0.506 55.476 55.803 0.299 0.000 0.896 16 Q CB 2.246 31.085 28.738 0.168 0.000 1.272 16 Q HN 0.449 nan 8.270 nan 0.000 0.442 17 L N 1.510 122.918 121.223 0.307 0.000 2.381 17 L HA 0.611 4.977 4.340 0.043 0.000 0.268 17 L C -0.458 176.569 176.870 0.261 0.000 0.997 17 L CA -0.752 54.262 54.840 0.291 0.000 0.818 17 L CB 2.215 44.469 42.059 0.325 0.000 1.310 17 L HN 0.425 nan 8.230 nan 0.000 0.416 18 R N 1.026 121.669 120.500 0.239 0.000 2.393 18 R HA 0.660 5.026 4.340 0.043 0.000 0.315 18 R C -0.209 176.221 176.300 0.216 0.000 0.952 18 R CA -0.331 55.904 56.100 0.225 0.000 0.842 18 R CB 1.608 31.975 30.300 0.113 0.000 1.163 18 R HN 0.804 nan 8.270 nan 0.000 0.450 19 G N 3.474 112.395 108.800 0.202 0.000 2.583 19 G HA2 0.432 4.418 3.960 0.043 0.000 0.280 19 G HA3 0.432 4.418 3.960 0.043 0.000 0.280 19 G C -0.896 173.817 174.900 -0.311 0.000 1.376 19 G CA -0.744 44.157 45.100 -0.332 0.000 1.043 19 G HN 0.608 nan 8.290 nan 0.000 0.538 20 I N -1.046 119.266 120.570 -0.431 0.000 2.730 20 I HA 0.568 4.764 4.170 0.043 0.000 0.298 20 I C -0.282 175.671 176.117 -0.275 0.000 1.089 20 I CA -1.171 59.963 61.300 -0.276 0.000 1.041 20 I CB 2.247 40.099 38.000 -0.246 0.000 1.235 20 I HN 0.479 nan 8.210 nan 0.000 0.423 21 R N 6.936 127.310 120.500 -0.210 0.000 2.308 21 R HA 0.635 5.001 4.340 0.043 0.000 0.305 21 R C -1.759 174.414 176.300 -0.210 0.000 1.053 21 R CA -0.342 55.609 56.100 -0.248 0.000 0.957 21 R CB 0.864 30.946 30.300 -0.363 0.000 1.022 21 R HN 0.658 nan 8.270 nan 0.000 0.461 22 L N 3.053 124.168 121.223 -0.180 0.000 2.354 22 L HA 0.465 4.831 4.340 0.043 0.000 0.264 22 L C -0.739 176.059 176.870 -0.121 0.000 1.008 22 L CA -1.179 53.585 54.840 -0.126 0.000 0.819 22 L CB 2.145 44.163 42.059 -0.069 0.000 1.339 22 L HN 0.531 nan 8.230 nan 0.000 0.420 23 K N 1.773 122.112 120.400 -0.102 0.000 2.234 23 K HA 0.696 5.042 4.320 0.043 0.000 0.277 23 K C -0.812 175.735 176.600 -0.087 0.000 1.038 23 K CA -0.126 56.110 56.287 -0.085 0.000 0.888 23 K CB 1.485 33.946 32.500 -0.065 0.000 1.091 23 K HN 0.627 nan 8.250 nan 0.000 0.467 24 A N 5.514 128.288 122.820 -0.077 0.000 2.337 24 A HA 0.519 4.865 4.320 0.043 0.000 0.331 24 A C -1.992 175.606 177.584 0.022 0.000 1.137 24 A CA -1.942 50.050 52.037 -0.075 0.000 0.807 24 A CB 0.791 19.727 19.000 -0.107 0.000 1.250 24 A HN 0.710 nan 8.150 nan 0.000 0.468 25 P HA -0.142 nan 4.420 nan 0.000 0.217 25 P C 1.091 178.424 177.300 0.055 0.000 1.151 25 P CA 2.189 65.343 63.100 0.090 0.000 0.849 25 P CB 0.257 32.033 31.700 0.126 0.000 0.787 26 G N -2.334 106.500 108.800 0.058 0.000 3.575 26 G HA2 0.513 4.499 3.960 0.043 0.000 0.273 26 G HA3 0.513 4.499 3.960 0.043 0.000 0.273 26 G C 0.317 175.239 174.900 0.037 0.000 1.053 26 G CA 0.311 45.436 45.100 0.043 0.000 0.803 26 G HN 0.569 nan 8.290 nan 0.000 0.528 27 G N -0.441 108.375 108.800 0.026 0.000 2.324 27 G HA2 0.461 4.447 3.960 0.043 0.000 0.293 27 G HA3 0.461 4.447 3.960 0.043 0.000 0.293 27 G C -3.623 171.274 174.900 -0.005 0.000 1.297 27 G CA -0.748 44.365 45.100 0.023 0.000 0.853 27 G HN 0.013 nan 8.290 nan 0.000 0.535 28 P HA 0.608 nan 4.420 nan 0.000 0.287 28 P C -0.427 176.886 177.300 0.022 0.000 1.270 28 P CA -0.768 62.276 63.100 -0.093 0.000 0.844 28 P CB 1.827 33.353 31.700 -0.288 0.000 1.068 29 V N -1.600 118.317 119.914 0.005 0.000 2.789 29 V HA 0.601 4.747 4.120 0.043 0.000 0.311 29 V C -0.384 175.783 176.094 0.123 0.000 1.073 29 V CA -0.786 61.597 62.300 0.138 0.000 0.921 29 V CB 1.784 33.695 31.823 0.148 0.000 1.009 29 V HN 0.371 nan 8.190 nan 0.000 0.426 30 S N 2.822 118.673 115.700 0.251 0.000 2.531 30 S HA 0.727 5.223 4.470 0.043 0.000 0.279 30 S C 0.240 174.786 174.600 -0.089 0.000 1.305 30 S CA 0.219 58.478 58.200 0.098 0.000 1.058 30 S CB 0.927 64.291 63.200 0.273 0.000 0.899 30 S HN 1.622 nan 8.310 nan 0.000 0.493 31 A N 3.082 125.642 122.820 -0.434 0.000 2.356 31 A HA 0.776 5.122 4.320 0.043 0.000 0.310 31 A C -1.119 175.983 177.584 -0.802 0.000 1.075 31 A CA -0.689 51.016 52.037 -0.553 0.000 0.746 31 A CB 0.551 19.227 19.000 -0.540 0.000 1.221 31 A HN 0.674 nan 8.150 nan 0.000 0.443 32 F N 2.932 122.725 119.950 -0.262 0.000 2.434 32 F HA 0.497 5.050 4.527 0.043 0.000 0.367 32 F C -0.218 175.410 175.800 -0.287 0.000 1.093 32 F CA -0.370 57.541 58.000 -0.148 0.000 1.085 32 F CB 1.187 40.256 39.000 0.116 0.000 1.322 32 F HN 0.356 nan 8.300 nan 0.000 0.452 33 L N 1.754 122.835 121.223 -0.236 0.000 2.331 33 L HA 0.798 5.164 4.340 0.043 0.000 0.275 33 L C 0.946 177.732 176.870 -0.140 0.000 1.022 33 L CA -1.168 53.489 54.840 -0.305 0.000 0.812 33 L CB 1.631 43.294 42.059 -0.661 0.000 1.257 33 L HN 0.789 nan 8.230 nan 0.000 0.435 34 G N 2.449 111.227 108.800 -0.035 0.000 2.246 34 G HA2 -0.252 3.734 3.960 0.043 0.000 0.273 34 G HA3 -0.252 3.734 3.960 0.043 0.000 0.273 34 G C -0.202 174.735 174.900 0.063 0.000 1.055 34 G CA -0.296 44.787 45.100 -0.029 0.000 0.851 34 G HN 0.458 nan 8.290 nan 0.000 0.500 35 I N 2.063 122.686 120.570 0.088 0.000 2.416 35 I HA 0.264 4.460 4.170 0.043 0.000 0.288 35 I C -1.452 174.709 176.117 0.073 0.000 1.051 35 I CA -2.189 59.138 61.300 0.045 0.000 1.375 35 I CB 1.156 39.129 38.000 -0.044 0.000 1.407 35 I HN -0.020 nan 8.210 nan 0.000 0.516 36 P HA 0.100 nan 4.420 nan 0.000 0.280 36 P C -0.332 176.858 177.300 -0.182 0.000 1.244 36 P CA -0.067 62.848 63.100 -0.308 0.000 0.784 36 P CB 0.606 32.132 31.700 -0.289 0.000 0.913 37 F N 0.236 120.002 119.950 -0.306 0.000 2.746 37 F HA 0.741 5.294 4.527 0.043 0.000 0.320 37 F C -0.051 175.723 175.800 -0.044 0.000 1.097 37 F CA -0.836 57.062 58.000 -0.171 0.000 1.195 37 F CB 0.103 38.904 39.000 -0.331 0.000 1.056 37 F HN 0.315 nan 8.300 nan 0.000 0.562 38 A N 0.230 122.735 122.820 -0.525 0.000 2.539 38 A HA 0.589 4.935 4.320 0.043 0.000 0.296 38 A C -0.803 176.614 177.584 -0.279 0.000 1.073 38 A CA -0.747 51.095 52.037 -0.326 0.000 0.700 38 A CB 1.093 19.827 19.000 -0.443 0.000 1.296 38 A HN 0.103 nan 8.150 nan 0.000 0.405 39 E N 1.563 121.684 120.200 -0.131 0.000 2.366 39 E HA 0.217 4.593 4.350 0.043 0.000 0.266 39 E C -2.308 174.200 176.600 -0.154 0.000 1.015 39 E CA -1.289 55.048 56.400 -0.104 0.000 0.906 39 E CB 0.102 29.779 29.700 -0.037 0.000 0.979 39 E HN 0.237 nan 8.360 nan 0.000 0.443 40 P HA -0.030 nan 4.420 nan 0.000 0.258 40 P C -2.150 175.080 177.300 -0.117 0.000 1.172 40 P CA -0.652 62.354 63.100 -0.157 0.000 0.762 40 P CB -0.066 31.577 31.700 -0.096 0.000 0.764 41 P HA -0.001 nan 4.420 nan 0.000 0.228 41 P C -0.250 176.981 177.300 -0.115 0.000 1.748 41 P CA 0.152 63.190 63.100 -0.103 0.000 0.909 41 P CB -0.153 31.486 31.700 -0.101 0.000 1.882 42 V N -3.613 116.241 119.914 -0.101 0.000 2.994 42 V HA 0.891 5.037 4.120 0.043 0.000 0.318 42 V C 1.013 177.060 176.094 -0.078 0.000 1.085 42 V CA 0.093 62.330 62.300 -0.106 0.000 0.998 42 V CB 0.769 32.534 31.823 -0.097 0.000 1.063 42 V HN 0.492 nan 8.190 nan 0.000 0.447 43 G N 2.501 111.255 108.800 -0.077 0.000 2.596 43 G HA2 -0.349 3.637 3.960 0.043 0.000 0.304 43 G HA3 -0.349 3.637 3.960 0.043 0.000 0.304 43 G C 1.227 176.106 174.900 -0.035 0.000 1.189 43 G CA 1.711 46.783 45.100 -0.047 0.000 0.986 43 G HN 2.336 nan 8.290 nan 0.000 0.548 44 S N 0.422 116.115 115.700 -0.013 0.000 2.522 44 S HA 0.097 4.592 4.470 0.043 0.000 0.227 44 S C 2.027 176.632 174.600 0.008 0.000 0.986 44 S CA 1.397 59.603 58.200 0.010 0.000 0.929 44 S CB 0.032 63.243 63.200 0.017 0.000 0.769 44 S HN 0.594 nan 8.310 nan 0.000 0.529 45 R N 1.512 122.001 120.500 -0.018 0.000 2.189 45 R HA 0.158 4.524 4.340 0.043 0.000 0.218 45 R C 1.059 177.331 176.300 -0.047 0.000 1.074 45 R CA 0.112 56.199 56.100 -0.021 0.000 0.991 45 R CB -0.686 29.592 30.300 -0.036 0.000 0.883 45 R HN 0.532 nan 8.270 nan 0.000 0.457 46 R N 0.718 121.151 120.500 -0.112 0.000 2.494 46 R HA -0.188 4.178 4.340 0.043 0.000 0.291 46 R C -0.299 175.867 176.300 -0.223 0.000 0.953 46 R CA 0.669 56.592 56.100 -0.296 0.000 1.098 46 R CB -0.032 29.985 30.300 -0.471 0.000 0.911 46 R HN 0.139 nan 8.270 nan 0.000 0.407 47 F N -0.497 119.478 119.950 0.041 0.000 2.656 47 F HA -0.295 4.258 4.527 0.043 0.000 0.381 47 F C -0.033 175.766 175.800 -0.002 0.000 0.603 47 F CA 0.681 58.683 58.000 0.003 0.000 1.335 47 F CB -1.650 37.340 39.000 -0.016 0.000 1.836 47 F HN 0.447 nan 8.300 nan 0.000 0.290 48 M N 0.743 120.416 119.600 0.121 0.000 2.528 48 M HA 0.474 4.980 4.480 0.043 0.000 0.318 48 M C -2.149 174.186 176.300 0.059 0.000 1.195 48 M CA -1.630 53.724 55.300 0.089 0.000 1.000 48 M CB 0.810 33.451 32.600 0.070 0.000 1.615 48 M HN -0.387 nan 8.290 nan 0.000 0.469 49 P HA 0.020 nan 4.420 nan 0.000 0.264 49 P C -2.413 174.921 177.300 0.058 0.000 1.179 49 P CA -0.319 62.822 63.100 0.068 0.000 0.763 49 P CB -0.572 31.175 31.700 0.077 0.000 0.806 50 P HA 0.157 nan 4.420 nan 0.000 0.275 50 P C -0.625 176.714 177.300 0.065 0.000 1.228 50 P CA 0.082 63.215 63.100 0.054 0.000 0.786 50 P CB 0.941 32.697 31.700 0.094 0.000 0.927 51 E N 2.958 123.183 120.200 0.041 0.000 2.207 51 E HA 0.408 4.784 4.350 0.043 0.000 0.270 51 E C -2.296 174.342 176.600 0.063 0.000 0.927 51 E CA -2.444 53.988 56.400 0.055 0.000 0.799 51 E CB 0.490 30.213 29.700 0.039 0.000 1.172 51 E HN 0.354 nan 8.360 nan 0.000 0.404 52 P HA -0.047 nan 4.420 nan 0.000 0.265 52 P C -0.692 176.675 177.300 0.111 0.000 1.193 52 P CA -0.225 62.956 63.100 0.136 0.000 0.765 52 P CB 0.413 32.198 31.700 0.141 0.000 0.823 53 K N 4.016 124.497 120.400 0.135 0.000 2.472 53 K HA -0.028 4.318 4.320 0.043 0.000 0.280 53 K C 0.106 176.817 176.600 0.184 0.000 1.028 53 K CA 0.400 56.773 56.287 0.144 0.000 1.045 53 K CB 0.086 32.712 32.500 0.210 0.000 0.902 53 K HN 0.285 nan 8.250 nan 0.000 0.478 54 R N 5.148 125.738 120.500 0.150 0.000 2.643 54 R HA 0.138 4.504 4.340 0.043 0.000 0.270 54 R C -1.997 174.420 176.300 0.195 0.000 1.061 54 R CA -1.591 54.589 56.100 0.133 0.000 1.107 54 R CB -0.152 30.207 30.300 0.099 0.000 0.999 54 R HN 0.560 nan 8.270 nan 0.000 0.460 55 P HA -0.078 nan 4.420 nan 0.000 0.269 55 P C -1.202 176.138 177.300 0.066 0.000 1.217 55 P CA 0.082 63.118 63.100 -0.107 0.000 0.783 55 P CB 0.312 31.914 31.700 -0.164 0.000 0.898 56 W N 0.174 121.506 121.300 0.054 0.000 2.882 56 W HA 0.679 5.365 4.660 0.043 0.000 0.345 56 W C -0.633 175.910 176.519 0.040 0.000 1.125 56 W CA -1.069 56.304 57.345 0.047 0.000 1.167 56 W CB 0.115 29.610 29.460 0.059 0.000 1.431 56 W HN 0.384 nan 8.180 nan 0.000 0.543 57 S N 1.801 117.665 115.700 0.274 0.000 2.632 57 S HA 0.758 5.254 4.470 0.043 0.000 0.271 57 S C 0.742 175.486 174.600 0.240 0.000 1.260 57 S CA 0.313 58.611 58.200 0.164 0.000 1.010 57 S CB 0.762 64.030 63.200 0.114 0.000 0.965 57 S HN 2.235 nan 8.310 nan 0.000 0.534 58 G N 0.585 109.477 108.800 0.153 0.000 2.566 58 G HA2 -0.198 3.788 3.960 0.043 0.000 0.280 58 G HA3 -0.198 3.788 3.960 0.043 0.000 0.280 58 G C -0.519 174.515 174.900 0.223 0.000 1.225 58 G CA -0.043 45.148 45.100 0.152 0.000 0.966 58 G HN 1.739 nan 8.290 nan 0.000 0.560 59 V N 0.721 120.746 119.914 0.186 0.000 2.349 59 V HA 0.506 4.652 4.120 0.043 0.000 0.284 59 V C 0.270 176.445 176.094 0.135 0.000 1.014 59 V CA -0.516 61.899 62.300 0.191 0.000 0.826 59 V CB 1.219 33.116 31.823 0.124 0.000 1.009 59 V HN 0.810 nan 8.190 nan 0.000 0.431 60 L N 4.306 125.605 121.223 0.127 0.000 2.455 60 L HA 0.293 4.659 4.340 0.043 0.000 0.272 60 L C 0.331 177.180 176.870 -0.036 0.000 1.174 60 L CA 0.383 55.158 54.840 -0.108 0.000 0.869 60 L CB 0.686 42.431 42.059 -0.523 0.000 1.130 60 L HN 0.772 nan 8.230 nan 0.000 0.474 61 D N 4.163 124.526 120.400 -0.062 0.000 2.336 61 D HA 0.425 5.091 4.640 0.043 0.000 0.249 61 D C -0.351 175.911 176.300 -0.063 0.000 1.213 61 D CA 0.101 54.076 54.000 -0.042 0.000 0.870 61 D CB 0.816 41.583 40.800 -0.056 0.000 1.076 61 D HN 0.660 nan 8.370 nan 0.000 0.483 62 A N 3.473 126.284 122.820 -0.014 0.000 3.215 62 A HA 0.359 4.705 4.320 0.043 0.000 0.320 62 A C 0.718 178.245 177.584 -0.095 0.000 1.084 62 A CA -0.389 51.636 52.037 -0.021 0.000 0.969 62 A CB -0.102 18.970 19.000 0.120 0.000 1.064 62 A HN 0.589 nan 8.150 nan 0.000 0.513 63 T N -3.772 110.686 114.554 -0.159 0.000 3.058 63 T HA 0.337 4.712 4.350 0.043 0.000 0.278 63 T C 0.331 174.859 174.700 -0.286 0.000 0.974 63 T CA 0.430 62.395 62.100 -0.225 0.000 0.893 63 T CB 0.277 69.043 68.868 -0.168 0.000 1.138 63 T HN 0.346 nan 8.240 nan 0.000 0.529 64 T N 0.997 115.382 114.554 -0.281 0.000 2.909 64 T HA 0.623 4.999 4.350 0.043 0.000 0.299 64 T C -1.492 173.037 174.700 -0.284 0.000 1.073 64 T CA -0.665 61.262 62.100 -0.288 0.000 0.999 64 T CB 0.679 69.442 68.868 -0.175 0.000 1.098 64 T HN 0.113 nan 8.240 nan 0.000 0.477 65 F N 3.361 123.237 119.950 -0.124 0.000 2.529 65 F HA 0.306 4.859 4.527 0.043 0.000 0.365 65 F C 1.395 177.093 175.800 -0.170 0.000 1.102 65 F CA -0.157 57.772 58.000 -0.119 0.000 1.271 65 F CB 0.562 39.520 39.000 -0.072 0.000 1.120 65 F HN 0.392 nan 8.300 nan 0.000 0.579 66 Q N 1.947 121.745 119.800 -0.003 0.000 2.414 66 Q HA 0.135 4.501 4.340 0.043 0.000 0.206 66 Q C -0.100 175.824 176.000 -0.127 0.000 1.058 66 Q CA -0.494 55.159 55.803 -0.250 0.000 1.025 66 Q CB 0.483 28.807 28.738 -0.690 0.000 1.196 66 Q HN 0.513 nan 8.270 nan 0.000 0.586 67 N N -0.086 118.509 118.700 -0.174 0.000 2.407 67 N HA -0.001 4.765 4.740 0.043 0.000 0.250 67 N C -0.542 174.946 175.510 -0.036 0.000 1.236 67 N CA 0.113 53.113 53.050 -0.084 0.000 0.879 67 N CB 0.376 38.824 38.487 -0.065 0.000 1.088 67 N HN 0.183 nan 8.380 nan 0.000 0.450 68 V N 2.230 122.105 119.914 -0.065 0.000 2.555 68 V HA 0.001 4.147 4.120 0.043 0.000 0.286 68 V C 0.855 176.909 176.094 -0.067 0.000 1.044 68 V CA -0.775 61.474 62.300 -0.086 0.000 1.026 68 V CB 0.501 32.235 31.823 -0.149 0.000 0.981 68 V HN 0.712 nan 8.190 nan 0.000 0.480 69 c N 4.921 123.494 118.600 -0.045 0.000 2.597 69 c HA 0.012 4.608 4.570 0.043 0.000 0.412 69 c C 0.575 174.629 174.090 -0.059 0.000 1.348 69 c CA -0.432 55.873 56.329 -0.038 0.000 1.769 69 c CB -1.104 41.401 42.510 -0.008 0.000 2.641 69 c HN 0.748 nan 8.230 nan 0.000 0.612 70 Y N 4.271 124.431 120.300 -0.233 0.000 2.632 70 Y HA 0.269 4.845 4.550 0.043 0.000 0.329 70 Y C 0.730 176.636 175.900 0.011 0.000 1.174 70 Y CA 1.014 58.980 58.100 -0.223 0.000 1.469 70 Y CB 0.113 38.263 38.460 -0.517 0.000 1.242 70 Y HN 0.751 nan 8.280 nan 0.000 0.540 71 Q N 4.289 123.984 119.800 -0.174 0.000 2.575 71 Q HA 0.225 4.591 4.340 0.043 0.000 0.290 71 Q C -1.773 174.243 176.000 0.027 0.000 0.963 71 Q CA -1.204 54.645 55.803 0.076 0.000 0.783 71 Q CB 1.280 30.042 28.738 0.041 0.000 1.467 71 Q HN 0.665 nan 8.270 nan 0.000 0.402 72 Y N 0.998 121.353 120.300 0.092 0.000 2.702 72 Y HA 0.321 4.897 4.550 0.043 0.000 0.336 72 Y C -0.963 174.963 175.900 0.044 0.000 1.235 72 Y CA 0.440 58.584 58.100 0.073 0.000 1.492 72 Y CB 0.878 39.393 38.460 0.092 0.000 1.308 72 Y HN 0.443 nan 8.280 nan 0.000 0.589 73 V N 6.396 125.879 119.914 -0.718 0.000 2.487 73 V HA 0.121 4.267 4.120 0.043 0.000 0.298 73 V C -0.751 174.945 176.094 -0.663 0.000 1.028 73 V CA -1.016 60.989 62.300 -0.493 0.000 0.860 73 V CB 1.661 33.302 31.823 -0.304 0.000 0.991 73 V HN 0.773 nan 8.190 nan 0.000 0.427 74 D N 2.796 123.076 120.400 -0.199 0.000 2.390 74 D HA 0.304 4.970 4.640 0.043 0.000 0.249 74 D C 1.001 177.345 176.300 0.072 0.000 1.144 74 D CA 0.481 54.520 54.000 0.064 0.000 0.880 74 D CB 1.313 42.324 40.800 0.352 0.000 1.182 74 D HN 0.746 nan 8.370 nan 0.000 0.451 75 T N 0.961 115.588 114.554 0.121 0.000 3.043 75 T HA 0.022 4.398 4.350 0.043 0.000 0.272 75 T C 1.548 176.304 174.700 0.094 0.000 0.990 75 T CA -0.452 61.702 62.100 0.090 0.000 0.897 75 T CB -0.029 68.872 68.868 0.054 0.000 1.111 75 T HN 0.251 nan 8.240 nan 0.000 0.529 76 L N 1.145 122.445 121.223 0.128 0.000 1.990 76 L HA 0.073 4.439 4.340 0.043 0.000 0.213 76 L C -0.056 176.624 176.870 -0.317 0.000 1.072 76 L CA 1.711 56.489 54.840 -0.103 0.000 0.755 76 L CB -0.652 41.311 42.059 -0.159 0.000 0.889 76 L HN 0.411 nan 8.230 nan 0.000 0.432 77 Y N 0.156 120.512 120.300 0.093 0.000 2.919 77 Y HA 0.404 4.980 4.550 0.043 0.000 0.341 77 Y C -2.137 173.828 175.900 0.109 0.000 1.045 77 Y CA -3.285 54.846 58.100 0.051 0.000 1.218 77 Y CB -0.105 38.350 38.460 -0.007 0.000 1.137 77 Y HN 0.128 nan 8.280 nan 0.000 0.577 78 P HA 0.096 nan 4.420 nan 0.000 0.260 78 P C 0.933 178.304 177.300 0.117 0.000 1.207 78 P CA 1.166 64.336 63.100 0.116 0.000 0.780 78 P CB 0.455 32.193 31.700 0.064 0.000 0.789 79 G N 2.841 111.702 108.800 0.100 0.000 2.143 79 G HA2 -0.289 3.697 3.960 0.043 0.000 0.249 79 G HA3 -0.289 3.697 3.960 0.043 0.000 0.249 79 G C -0.101 174.849 174.900 0.083 0.000 0.981 79 G CA -0.534 44.600 45.100 0.057 0.000 0.665 79 G HN 0.520 nan 8.290 nan 0.000 0.528 80 F N 1.612 121.540 119.950 -0.036 0.000 2.467 80 F HA 0.585 5.138 4.527 0.043 0.000 0.362 80 F C 1.352 177.063 175.800 -0.148 0.000 1.090 80 F CA -0.716 57.211 58.000 -0.122 0.000 1.202 80 F CB 1.303 40.208 39.000 -0.158 0.000 1.113 80 F HN 0.136 nan 8.300 nan 0.000 0.541 81 E N 3.990 123.735 120.200 -0.757 0.000 2.118 81 E HA -0.098 4.278 4.350 0.043 0.000 0.195 81 E C 2.175 178.260 176.600 -0.858 0.000 0.992 81 E CA 1.914 57.906 56.400 -0.682 0.000 0.804 81 E CB -0.506 28.875 29.700 -0.532 0.000 0.741 81 E HN 0.902 nan 8.360 nan 0.000 0.458 82 G N -0.779 106.954 108.800 -1.779 0.000 2.422 82 G HA2 -0.287 3.699 3.960 0.043 0.000 0.218 82 G HA3 -0.287 3.699 3.960 0.043 0.000 0.218 82 G C 1.731 176.645 174.900 0.024 0.000 1.146 82 G CA 1.589 46.037 45.100 -1.086 0.000 0.769 82 G HN 0.489 nan 8.290 nan 0.000 0.547 83 T N -2.180 112.423 114.554 0.081 0.000 3.044 83 T HA 0.156 4.532 4.350 0.043 0.000 0.255 83 T C 1.961 176.852 174.700 0.319 0.000 1.073 83 T CA 1.160 63.600 62.100 0.567 0.000 1.125 83 T CB 0.276 69.552 68.868 0.679 0.000 0.908 83 T HN 0.181 nan 8.240 nan 0.000 0.480 84 E N 2.105 122.324 120.200 0.031 0.000 2.107 84 E HA -0.000 4.375 4.350 0.043 0.000 0.191 84 E C 2.216 178.714 176.600 -0.170 0.000 0.982 84 E CA 1.153 57.523 56.400 -0.050 0.000 0.809 84 E CB -0.544 29.087 29.700 -0.115 0.000 0.756 84 E HN 0.814 nan 8.360 nan 0.000 0.459 85 M N -2.133 117.256 119.600 -0.351 0.000 2.435 85 M HA -0.080 4.426 4.480 0.043 0.000 0.262 85 M C 1.191 177.041 176.300 -0.750 0.000 1.065 85 M CA 1.347 56.280 55.300 -0.612 0.000 1.076 85 M CB -0.546 31.564 32.600 -0.816 0.000 1.403 85 M HN 0.043 nan 8.290 nan 0.000 0.454 86 W N 0.950 122.178 121.300 -0.121 0.000 2.812 86 W HA 0.229 4.914 4.660 0.043 0.000 0.263 86 W C 0.633 177.057 176.519 -0.157 0.000 1.284 86 W CA -0.886 56.371 57.345 -0.146 0.000 1.430 86 W CB -0.176 29.253 29.460 -0.052 0.000 1.088 86 W HN 0.107 nan 8.180 nan 0.000 0.623 87 N N 1.803 120.525 118.700 0.037 0.000 2.508 87 N HA 0.084 4.850 4.740 0.043 0.000 0.264 87 N C -2.391 173.046 175.510 -0.123 0.000 1.216 87 N CA -1.131 51.899 53.050 -0.033 0.000 0.943 87 N CB -0.059 38.410 38.487 -0.030 0.000 1.113 87 N HN -0.302 nan 8.380 nan 0.000 0.447 88 P HA 0.030 nan 4.420 nan 0.000 0.264 88 P C 0.205 177.408 177.300 -0.163 0.000 1.183 88 P CA 0.071 63.066 63.100 -0.175 0.000 0.763 88 P CB 0.294 31.889 31.700 -0.175 0.000 0.807 89 N N 2.314 120.906 118.700 -0.180 0.000 2.282 89 N HA 0.098 4.864 4.740 0.043 0.000 0.240 89 N C 0.121 175.558 175.510 -0.121 0.000 1.182 89 N CA -0.148 52.809 53.050 -0.156 0.000 0.874 89 N CB 0.427 38.802 38.487 -0.186 0.000 1.126 89 N HN 0.169 nan 8.380 nan 0.000 0.516 90 R N -0.248 120.182 120.500 -0.118 0.000 2.846 90 R HA 0.343 4.709 4.340 0.043 0.000 0.263 90 R C -0.461 175.786 176.300 -0.087 0.000 1.080 90 R CA -0.618 55.431 56.100 -0.084 0.000 0.961 90 R CB 0.600 30.859 30.300 -0.069 0.000 1.231 90 R HN 0.092 nan 8.270 nan 0.000 0.465 91 E N 1.775 121.933 120.200 -0.070 0.000 2.392 91 E HA 0.139 4.514 4.350 0.043 0.000 0.264 91 E C -0.073 176.488 176.600 -0.065 0.000 1.024 91 E CA 0.002 56.365 56.400 -0.062 0.000 0.903 91 E CB 0.498 30.171 29.700 -0.045 0.000 0.963 91 E HN 0.266 nan 8.360 nan 0.000 0.432 92 L N 1.945 123.127 121.223 -0.068 0.000 2.426 92 L HA 0.207 4.572 4.340 0.043 0.000 0.271 92 L C 0.752 177.665 176.870 0.073 0.000 1.169 92 L CA 0.128 54.929 54.840 -0.065 0.000 0.836 92 L CB 0.648 42.562 42.059 -0.242 0.000 1.112 92 L HN 0.387 nan 8.230 nan 0.000 0.465 93 S N 0.833 116.586 115.700 0.088 0.000 2.558 93 S HA 0.154 4.650 4.470 0.043 0.000 0.277 93 S C 0.223 174.805 174.600 -0.030 0.000 1.143 93 S CA -0.683 57.554 58.200 0.062 0.000 0.865 93 S CB 1.664 64.866 63.200 0.002 0.000 1.102 93 S HN 0.752 nan 8.310 nan 0.000 0.454 94 E N 0.988 121.091 120.200 -0.160 0.000 2.204 94 E HA -0.095 4.281 4.350 0.043 0.000 0.195 94 E C -0.139 176.377 176.600 -0.141 0.000 0.990 94 E CA 0.892 57.134 56.400 -0.263 0.000 0.821 94 E CB 0.109 29.592 29.700 -0.362 0.000 0.750 94 E HN 0.592 nan 8.360 nan 0.000 0.477 95 D N -0.256 120.100 120.400 -0.074 0.000 2.435 95 D HA -0.020 4.646 4.640 0.043 0.000 0.230 95 D C -0.185 176.184 176.300 0.115 0.000 1.215 95 D CA -0.237 53.759 54.000 -0.007 0.000 0.947 95 D CB 0.122 40.934 40.800 0.020 0.000 1.048 95 D HN 0.146 nan 8.370 nan 0.000 0.512 96 c N 2.939 121.588 118.600 0.083 0.000 3.722 96 c HA 0.352 4.948 4.570 0.043 0.000 0.279 96 c C 0.468 174.632 174.090 0.125 0.000 1.819 96 c CA -0.745 55.703 56.329 0.198 0.000 1.744 96 c CB -1.300 41.255 42.510 0.075 0.000 3.247 96 c HN 0.474 nan 8.230 nan 0.000 0.549 97 L N 2.477 123.503 121.223 -0.328 0.000 2.387 97 L HA 0.420 4.786 4.340 0.043 0.000 0.267 97 L C -0.931 175.218 176.870 -1.201 0.000 1.197 97 L CA 0.542 54.935 54.840 -0.745 0.000 1.070 97 L CB -0.697 40.809 42.059 -0.923 0.000 1.349 97 L HN 0.401 nan 8.230 nan 0.000 0.422 98 Y N 2.058 122.274 120.300 -0.139 0.000 2.553 98 Y HA 0.651 5.227 4.550 0.043 0.000 0.347 98 Y C -0.146 175.935 175.900 0.303 0.000 1.019 98 Y CA -1.285 56.831 58.100 0.027 0.000 1.032 98 Y CB 2.073 40.521 38.460 -0.020 0.000 1.284 98 Y HN 0.209 nan 8.280 nan 0.000 0.466 99 L N -0.121 121.299 121.223 0.329 0.000 2.327 99 L HA 0.768 5.134 4.340 0.043 0.000 0.258 99 L C -1.396 175.506 176.870 0.053 0.000 1.024 99 L CA -1.276 53.654 54.840 0.151 0.000 0.825 99 L CB 1.837 43.822 42.059 -0.122 0.000 1.386 99 L HN 0.489 nan 8.230 nan 0.000 0.417 100 N N 0.531 119.275 118.700 0.075 0.000 2.284 100 N HA 0.654 5.420 4.740 0.043 0.000 0.300 100 N C -1.390 174.097 175.510 -0.039 0.000 1.047 100 N CA -0.413 52.610 53.050 -0.046 0.000 0.821 100 N CB 2.823 41.272 38.487 -0.063 0.000 1.337 100 N HN 0.507 nan 8.380 nan 0.000 0.482 101 V N 1.781 121.619 119.914 -0.126 0.000 2.495 101 V HA 0.459 4.605 4.120 0.043 0.000 0.298 101 V C -0.570 175.553 176.094 0.048 0.000 1.031 101 V CA -0.732 61.571 62.300 0.005 0.000 0.871 101 V CB 1.987 33.673 31.823 -0.227 0.000 0.988 101 V HN 0.540 nan 8.190 nan 0.000 0.432 102 W N 2.863 124.272 121.300 0.183 0.000 2.573 102 W HA 0.654 5.341 4.660 0.044 0.000 0.326 102 W C 0.168 176.807 176.519 0.199 0.000 1.049 102 W CA -0.420 57.034 57.345 0.181 0.000 1.220 102 W CB 2.397 31.936 29.460 0.131 0.000 1.373 102 W HN 0.647 nan 8.180 nan 0.000 0.507 103 T N 0.386 115.206 114.554 0.443 0.000 2.883 103 T HA 0.561 4.937 4.350 0.043 0.000 0.296 103 T C -2.864 172.011 174.700 0.292 0.000 1.117 103 T CA -2.452 59.859 62.100 0.352 0.000 1.006 103 T CB 2.261 71.363 68.868 0.389 0.000 1.191 103 T HN -0.063 nan 8.240 nan 0.000 0.508 104 P HA 0.212 nan 4.420 nan 0.000 0.269 104 P C -1.617 175.812 177.300 0.216 0.000 1.209 104 P CA -0.143 63.071 63.100 0.191 0.000 0.776 104 P CB -0.012 31.769 31.700 0.135 0.000 0.876 105 Y N 4.701 125.054 120.300 0.089 0.000 2.356 105 Y HA 0.413 4.988 4.550 0.043 0.000 0.334 105 Y C -2.130 173.804 175.900 0.055 0.000 0.958 105 Y CA -2.489 55.655 58.100 0.073 0.000 1.196 105 Y CB 0.995 39.483 38.460 0.047 0.000 1.137 105 Y HN 0.342 nan 8.280 nan 0.000 0.485 106 P HA 0.189 nan 4.420 nan 0.000 0.276 106 P C -0.929 176.304 177.300 -0.112 0.000 1.252 106 P CA -0.634 62.234 63.100 -0.386 0.000 0.802 106 P CB 0.971 32.506 31.700 -0.275 0.000 1.035 107 R N 2.202 122.652 120.500 -0.083 0.000 2.494 107 R HA 0.021 4.387 4.340 0.043 0.000 0.291 107 R C -1.598 174.720 176.300 0.031 0.000 0.953 107 R CA -0.710 55.411 56.100 0.036 0.000 1.098 107 R CB -0.575 29.744 30.300 0.033 0.000 0.911 107 R HN 0.396 nan 8.270 nan 0.000 0.407 108 P HA -0.130 nan 4.420 nan 0.000 0.264 108 P C -0.489 176.829 177.300 0.031 0.000 1.179 108 P CA 0.461 63.592 63.100 0.052 0.000 0.763 108 P CB 0.881 32.625 31.700 0.074 0.000 0.806 109 A N 3.310 126.141 122.820 0.018 0.000 1.898 109 A HA 0.018 4.364 4.320 0.043 0.000 0.214 109 A C 1.104 178.694 177.584 0.009 0.000 1.183 109 A CA 1.208 53.250 52.037 0.007 0.000 0.622 109 A CB -0.751 18.250 19.000 0.002 0.000 0.824 109 A HN 0.687 nan 8.150 nan 0.000 0.444 110 S N -0.101 115.607 115.700 0.014 0.000 2.608 110 S HA 0.588 5.084 4.470 0.043 0.000 0.291 110 S C -3.020 171.592 174.600 0.021 0.000 1.146 110 S CA -1.834 56.373 58.200 0.012 0.000 1.043 110 S CB 0.863 64.067 63.200 0.007 0.000 1.037 110 S HN 0.052 nan 8.310 nan 0.000 0.520 111 P HA 0.147 nan 4.420 nan 0.000 0.261 111 P C -0.584 176.733 177.300 0.029 0.000 1.183 111 P CA 0.372 63.488 63.100 0.027 0.000 0.761 111 P CB 0.060 31.768 31.700 0.014 0.000 0.785 112 T N 5.225 119.808 114.554 0.049 0.000 2.855 112 T HA 0.438 4.814 4.350 0.043 0.000 0.281 112 T C -2.457 172.273 174.700 0.050 0.000 1.007 112 T CA -1.953 60.176 62.100 0.048 0.000 1.009 112 T CB 0.990 69.899 68.868 0.069 0.000 0.983 112 T HN 0.127 nan 8.240 nan 0.000 0.455 113 P HA 0.143 nan 4.420 nan 0.000 0.266 113 P C -0.923 176.415 177.300 0.065 0.000 1.195 113 P CA -0.219 62.901 63.100 0.033 0.000 0.768 113 P CB 0.349 32.051 31.700 0.003 0.000 0.838 114 V N 5.022 124.990 119.914 0.090 0.000 2.370 114 V HA 0.267 4.413 4.120 0.043 0.000 0.283 114 V C 0.391 176.561 176.094 0.125 0.000 1.023 114 V CA -0.502 61.871 62.300 0.122 0.000 0.857 114 V CB 0.921 32.830 31.823 0.144 0.000 0.985 114 V HN 0.365 nan 8.190 nan 0.000 0.443 115 L N 6.037 127.336 121.223 0.126 0.000 2.292 115 L HA 0.567 4.933 4.340 0.043 0.000 0.284 115 L C -0.460 176.614 176.870 0.341 0.000 1.065 115 L CA -0.229 54.697 54.840 0.142 0.000 0.806 115 L CB 1.336 43.357 42.059 -0.064 0.000 1.175 115 L HN 0.505 nan 8.230 nan 0.000 0.431 116 I N 3.118 123.938 120.570 0.416 0.000 2.389 116 I HA 0.224 4.420 4.170 0.043 0.000 0.288 116 I C -0.696 175.713 176.117 0.486 0.000 0.999 116 I CA -0.422 61.112 61.300 0.390 0.000 1.129 116 I CB 1.582 39.683 38.000 0.168 0.000 1.288 116 I HN 0.641 nan 8.210 nan 0.000 0.444 117 W N 8.695 130.109 121.300 0.190 0.000 2.361 117 W HA 0.556 5.242 4.660 0.043 0.000 0.309 117 W C -1.562 174.842 176.519 -0.191 0.000 1.122 117 W CA -0.698 56.513 57.345 -0.223 0.000 1.208 117 W CB 1.199 30.532 29.460 -0.212 0.000 1.246 117 W HN 0.359 nan 8.180 nan 0.000 0.490 118 I N 9.343 129.231 120.570 -1.136 0.000 2.330 118 I HA 0.062 4.258 4.170 0.043 0.000 0.286 118 I C -0.058 175.193 176.117 -1.444 0.000 1.025 118 I CA -1.127 59.557 61.300 -1.026 0.000 1.197 118 I CB 0.310 37.893 38.000 -0.695 0.000 1.358 118 I HN 0.309 nan 8.210 nan 0.000 0.467 119 Y N 4.524 124.290 120.300 -0.891 0.000 2.652 119 Y HA 0.493 5.069 4.550 0.043 0.000 0.344 119 Y C 0.825 176.539 175.900 -0.310 0.000 1.254 119 Y CA -0.655 57.124 58.100 -0.534 0.000 1.480 119 Y CB -0.141 38.291 38.460 -0.046 0.000 1.345 119 Y HN 0.546 nan 8.280 nan 0.000 0.617 120 G N -0.489 108.295 108.800 -0.026 0.000 2.583 120 G HA2 0.504 4.490 3.960 0.043 0.000 0.280 120 G HA3 0.504 4.490 3.960 0.043 0.000 0.280 120 G C 0.326 175.174 174.900 -0.087 0.000 1.376 120 G CA -0.903 44.120 45.100 -0.129 0.000 1.043 120 G HN 1.661 nan 8.290 nan 0.000 0.538 121 G N -3.087 105.480 108.800 -0.389 0.000 3.136 121 G HA2 0.439 4.425 3.960 0.043 0.000 0.221 121 G HA3 0.439 4.425 3.960 0.043 0.000 0.221 121 G C 0.961 175.240 174.900 -1.036 0.000 0.961 121 G CA 0.854 45.601 45.100 -0.588 0.000 0.983 121 G HN 2.292 nan 8.290 nan 0.000 0.648 122 G N -0.395 107.785 108.800 -1.035 0.000 2.168 122 G HA2 -0.152 3.834 3.960 0.043 0.000 0.263 122 G HA3 -0.152 3.834 3.960 0.043 0.000 0.263 122 G C 0.884 175.408 174.900 -0.626 0.000 0.977 122 G CA 0.613 44.874 45.100 -1.397 0.000 0.659 122 G HN 1.610 nan 8.290 nan 0.000 0.533 123 F N -3.074 116.688 119.950 -0.313 0.000 2.871 123 F HA -0.288 4.264 4.527 0.043 0.000 0.326 123 F C 1.363 177.232 175.800 0.115 0.000 0.675 123 F CA 2.128 60.088 58.000 -0.067 0.000 1.188 123 F CB -2.059 36.798 39.000 -0.237 0.000 1.567 123 F HN 1.004 nan 8.300 nan 0.000 0.325 124 Y N -1.026 119.307 120.300 0.054 0.000 2.527 124 Y HA 0.674 5.249 4.550 0.043 0.000 0.247 124 Y C 0.522 176.457 175.900 0.057 0.000 1.138 124 Y CA 0.172 58.327 58.100 0.092 0.000 1.228 124 Y CB 0.029 38.478 38.460 -0.018 0.000 1.252 124 Y HN 0.147 nan 8.280 nan 0.000 0.531 125 S N -0.908 114.547 115.700 -0.407 0.000 2.683 125 S HA 0.819 5.315 4.470 0.043 0.000 0.269 125 S C -0.237 174.183 174.600 -0.300 0.000 1.165 125 S CA -0.443 57.571 58.200 -0.310 0.000 0.840 125 S CB 1.205 64.176 63.200 -0.381 0.000 1.169 125 S HN 1.490 nan 8.310 nan 0.000 0.490 126 G N -0.581 108.013 108.800 -0.343 0.000 2.576 126 G HA2 0.543 4.529 3.960 0.043 0.000 0.686 126 G HA3 0.543 4.529 3.960 0.043 0.000 0.686 126 G C -0.589 173.654 174.900 -1.094 0.000 1.242 126 G CA -0.248 44.506 45.100 -0.577 0.000 0.819 126 G HN 2.202 nan 8.290 nan 0.000 0.655 127 A N -0.353 121.785 122.820 -1.136 0.000 2.574 127 A HA 1.024 5.369 4.320 0.043 0.000 0.297 127 A C 0.628 177.986 177.584 -0.375 0.000 1.062 127 A CA 0.425 51.947 52.037 -0.858 0.000 0.686 127 A CB 1.216 19.971 19.000 -0.409 0.000 1.285 127 A HN 2.585 nan 8.150 nan 0.000 0.403 128 A N 0.445 123.281 122.820 0.027 0.000 2.238 128 A HA 0.289 4.635 4.320 0.043 0.000 0.208 128 A C 1.445 179.047 177.584 0.030 0.000 1.177 128 A CA 1.459 53.707 52.037 0.351 0.000 0.804 128 A CB -0.616 18.672 19.000 0.480 0.000 0.823 128 A HN 1.617 nan 8.150 nan 0.000 0.482 129 S N -0.538 114.956 115.700 -0.344 0.000 2.556 129 S HA 0.357 4.853 4.470 0.043 0.000 0.216 129 S C 0.425 174.619 174.600 -0.678 0.000 0.970 129 S CA -0.481 57.125 58.200 -0.990 0.000 0.912 129 S CB -0.484 62.066 63.200 -1.084 0.000 0.790 129 S HN 0.392 nan 8.310 nan 0.000 0.504 130 L N 2.198 123.133 121.223 -0.480 0.000 2.467 130 L HA 0.211 4.577 4.340 0.043 0.000 0.270 130 L C 1.071 177.609 176.870 -0.553 0.000 1.205 130 L CA -0.560 53.935 54.840 -0.575 0.000 0.828 130 L CB 0.247 41.813 42.059 -0.823 0.000 1.101 130 L HN 0.060 nan 8.230 nan 0.000 0.479 131 D N 1.112 121.238 120.400 -0.457 0.000 2.149 131 D HA -0.141 4.525 4.640 0.043 0.000 0.198 131 D C 2.020 178.050 176.300 -0.451 0.000 0.990 131 D CA 1.320 55.116 54.000 -0.339 0.000 0.839 131 D CB -0.080 40.571 40.800 -0.250 0.000 0.948 131 D HN 0.538 nan 8.370 nan 0.000 0.460 132 V N -1.112 118.390 119.914 -0.686 0.000 3.026 132 V HA -0.185 3.961 4.120 0.043 0.000 0.265 132 V C 1.162 176.691 176.094 -0.941 0.000 1.121 132 V CA 1.110 62.969 62.300 -0.734 0.000 1.142 132 V CB -1.196 30.157 31.823 -0.783 0.000 0.730 132 V HN 0.064 nan 8.190 nan 0.000 0.503 133 Y N 0.116 119.855 120.300 -0.936 0.000 2.607 133 Y HA 0.455 5.030 4.550 0.043 0.000 0.266 133 Y C 0.813 176.164 175.900 -0.915 0.000 1.178 133 Y CA -1.997 55.210 58.100 -1.488 0.000 1.226 133 Y CB -0.780 37.162 38.460 -0.864 0.000 1.144 133 Y HN 0.257 nan 8.280 nan 0.000 0.528 134 D N 0.701 120.831 120.400 -0.449 0.000 2.401 134 D HA 0.077 4.743 4.640 0.043 0.000 0.254 134 D C 1.327 177.335 176.300 -0.488 0.000 1.192 134 D CA 0.477 54.283 54.000 -0.324 0.000 0.885 134 D CB 1.450 42.187 40.800 -0.106 0.000 1.147 134 D HN 0.443 nan 8.370 nan 0.000 0.478 135 G N 4.133 112.074 108.800 -1.431 0.000 3.042 135 G HA2 -0.131 3.855 3.960 0.043 0.000 0.212 135 G HA3 -0.131 3.855 3.960 0.043 0.000 0.212 135 G C 1.478 175.809 174.900 -0.949 0.000 1.166 135 G CA -0.111 44.242 45.100 -1.244 0.000 0.767 135 G HN 0.587 nan 8.290 nan 0.000 0.546 136 R N -0.177 119.749 120.500 -0.957 0.000 2.120 136 R HA -0.036 4.330 4.340 0.043 0.000 0.234 136 R C 1.602 177.667 176.300 -0.391 0.000 1.123 136 R CA 1.068 56.848 56.100 -0.532 0.000 0.975 136 R CB -0.780 29.221 30.300 -0.499 0.000 0.866 136 R HN 0.327 nan 8.270 nan 0.000 0.446 137 F N 1.642 121.505 119.950 -0.146 0.000 2.128 137 F HA 0.039 4.592 4.527 0.044 0.000 0.295 137 F C 2.447 178.193 175.800 -0.090 0.000 1.100 137 F CA 0.806 58.746 58.000 -0.098 0.000 1.260 137 F CB -0.661 38.273 39.000 -0.111 0.000 1.009 137 F HN -0.150 nan 8.300 nan 0.000 0.476 138 L N -0.165 121.092 121.223 0.058 0.000 2.083 138 L HA -0.200 4.166 4.340 0.043 0.000 0.209 138 L C 2.684 179.562 176.870 0.013 0.000 1.083 138 L CA 1.165 55.999 54.840 -0.011 0.000 0.752 138 L CB -0.963 41.040 42.059 -0.093 0.000 0.899 138 L HN 0.172 nan 8.230 nan 0.000 0.433 139 A N -0.930 121.901 122.820 0.019 0.000 1.858 139 A HA -0.253 4.093 4.320 0.043 0.000 0.216 139 A C 2.302 179.933 177.584 0.077 0.000 1.190 139 A CA 1.666 53.752 52.037 0.082 0.000 0.617 139 A CB -0.546 18.541 19.000 0.146 0.000 0.827 139 A HN 0.392 nan 8.150 nan 0.000 0.443 140 Q N -0.204 119.629 119.800 0.055 0.000 2.016 140 Q HA -0.093 4.272 4.340 0.043 0.000 0.200 140 Q C 2.247 178.283 176.000 0.060 0.000 0.978 140 Q CA 2.088 57.928 55.803 0.062 0.000 0.833 140 Q CB -0.348 28.416 28.738 0.043 0.000 0.895 140 Q HN 0.408 nan 8.270 nan 0.000 0.427 141 V N 1.189 121.137 119.914 0.057 0.000 2.346 141 V HA -0.116 4.030 4.120 0.043 0.000 0.244 141 V C 1.695 177.805 176.094 0.027 0.000 1.037 141 V CA 1.531 63.857 62.300 0.043 0.000 1.029 141 V CB -0.170 31.676 31.823 0.039 0.000 0.663 141 V HN 0.251 nan 8.190 nan 0.000 0.454 142 E N -0.128 120.086 120.200 0.023 0.000 2.476 142 E HA 0.193 4.569 4.350 0.043 0.000 0.196 142 E C 1.623 178.239 176.600 0.028 0.000 1.029 142 E CA 0.637 57.046 56.400 0.014 0.000 0.896 142 E CB 0.282 29.981 29.700 -0.002 0.000 1.012 142 E HN 0.582 nan 8.360 nan 0.000 0.475 143 G N 1.988 110.814 108.800 0.044 0.000 2.296 143 G HA2 -0.334 3.652 3.960 0.043 0.000 0.282 143 G HA3 -0.334 3.652 3.960 0.043 0.000 0.282 143 G C 0.522 175.462 174.900 0.067 0.000 1.014 143 G CA 0.530 45.666 45.100 0.060 0.000 0.812 143 G HN 0.447 nan 8.290 nan 0.000 0.508 144 A N -0.873 121.984 122.820 0.063 0.000 2.371 144 A HA 0.659 5.005 4.320 0.043 0.000 0.257 144 A C 0.555 178.214 177.584 0.124 0.000 1.089 144 A CA 0.003 52.082 52.037 0.071 0.000 0.794 144 A CB 1.106 20.128 19.000 0.037 0.000 1.029 144 A HN 1.061 nan 8.150 nan 0.000 0.488 145 V N 3.373 123.370 119.914 0.137 0.000 2.406 145 V HA 0.337 4.483 4.120 0.043 0.000 0.272 145 V C -0.022 176.194 176.094 0.203 0.000 1.043 145 V CA -0.022 62.391 62.300 0.188 0.000 0.915 145 V CB 0.691 32.621 31.823 0.178 0.000 0.988 145 V HN 0.720 nan 8.190 nan 0.000 0.466 146 L N 6.314 127.706 121.223 0.282 0.000 2.356 146 L HA 0.728 5.094 4.340 0.043 0.000 0.277 146 L C -0.840 176.302 176.870 0.453 0.000 0.996 146 L CA -0.314 54.729 54.840 0.338 0.000 0.822 146 L CB 1.888 44.126 42.059 0.299 0.000 1.256 146 L HN 0.427 nan 8.230 nan 0.000 0.413 147 V N 3.310 123.466 119.914 0.404 0.000 2.555 147 V HA 0.700 4.846 4.120 0.043 0.000 0.302 147 V C -0.317 176.034 176.094 0.428 0.000 1.038 147 V CA -0.393 62.121 62.300 0.356 0.000 0.887 147 V CB 1.933 33.888 31.823 0.221 0.000 0.991 147 V HN 0.852 nan 8.190 nan 0.000 0.434 148 S N 5.608 121.572 115.700 0.440 0.000 2.541 148 S HA 0.881 5.377 4.470 0.043 0.000 0.280 148 S C -0.825 173.951 174.600 0.294 0.000 1.112 148 S CA -0.812 57.645 58.200 0.428 0.000 0.925 148 S CB 2.282 65.865 63.200 0.638 0.000 1.067 148 S HN 0.847 nan 8.310 nan 0.000 0.479 149 M N 1.366 121.098 119.600 0.221 0.000 2.716 149 M HA 0.586 5.091 4.480 0.043 0.000 0.307 149 M C -1.434 175.092 176.300 0.377 0.000 1.223 149 M CA -0.392 55.038 55.300 0.218 0.000 0.871 149 M CB 0.674 33.259 32.600 -0.025 0.000 1.739 149 M HN 0.787 nan 8.290 nan 0.000 0.475 150 N N 1.016 119.991 118.700 0.458 0.000 2.509 150 N HA 0.638 5.404 4.740 0.043 0.000 0.287 150 N C -1.725 174.049 175.510 0.440 0.000 1.121 150 N CA -0.349 52.986 53.050 0.476 0.000 0.977 150 N CB 1.176 39.871 38.487 0.348 0.000 1.167 150 N HN 0.673 nan 8.380 nan 0.000 0.476 151 Y N -1.627 118.832 120.300 0.265 0.000 2.534 151 Y HA 0.472 5.048 4.550 0.043 0.000 0.345 151 Y C -0.594 175.425 175.900 0.199 0.000 1.031 151 Y CA -1.421 56.787 58.100 0.181 0.000 1.022 151 Y CB 0.682 39.181 38.460 0.066 0.000 1.292 151 Y HN 0.241 nan 8.280 nan 0.000 0.459 152 R N 2.120 122.730 120.500 0.183 0.000 2.570 152 R HA 0.438 4.804 4.340 0.043 0.000 0.277 152 R C -0.064 176.357 176.300 0.202 0.000 1.039 152 R CA 0.031 56.201 56.100 0.117 0.000 1.065 152 R CB 0.647 30.996 30.300 0.081 0.000 0.964 152 R HN 0.716 nan 8.270 nan 0.000 0.428 153 V N 0.008 120.082 119.914 0.267 0.000 3.204 153 V HA 0.878 5.023 4.120 0.043 0.000 0.316 153 V C 0.860 177.264 176.094 0.516 0.000 1.160 153 V CA -0.132 62.436 62.300 0.447 0.000 1.044 153 V CB 1.090 33.083 31.823 0.283 0.000 1.136 153 V HN 0.960 nan 8.190 nan 0.000 0.455 154 G N 1.544 110.682 108.800 0.565 0.000 2.574 154 G HA2 -0.315 3.671 3.960 0.043 0.000 0.282 154 G HA3 -0.315 3.671 3.960 0.043 0.000 0.282 154 G C 1.014 176.069 174.900 0.258 0.000 1.257 154 G CA 1.649 47.022 45.100 0.456 0.000 0.956 154 G HN 2.306 nan 8.290 nan 0.000 0.560 155 T N -1.602 112.838 114.554 -0.189 0.000 2.759 155 T HA -0.081 4.295 4.350 0.043 0.000 0.269 155 T C 2.129 176.730 174.700 -0.165 0.000 1.042 155 T CA 2.528 64.307 62.100 -0.536 0.000 1.140 155 T CB -0.392 68.019 68.868 -0.760 0.000 0.864 155 T HN 0.547 nan 8.240 nan 0.000 0.455 156 F N 2.214 122.229 119.950 0.109 0.000 2.171 156 F HA 0.215 4.767 4.527 0.043 0.000 0.300 156 F C 2.743 178.531 175.800 -0.020 0.000 1.090 156 F CA 0.844 58.831 58.000 -0.022 0.000 1.293 156 F CB -0.948 38.008 39.000 -0.075 0.000 1.013 156 F HN 0.371 nan 8.300 nan 0.000 0.486 157 G N -2.169 106.700 108.800 0.115 0.000 2.719 157 G HA2 0.030 4.016 3.960 0.043 0.000 0.211 157 G HA3 0.030 4.016 3.960 0.043 0.000 0.211 157 G C 0.863 175.307 174.900 -0.760 0.000 1.140 157 G CA 0.191 45.096 45.100 -0.325 0.000 0.790 157 G HN 0.338 nan 8.290 nan 0.000 0.529 158 F N -0.535 119.528 119.950 0.188 0.000 2.856 158 F HA 0.437 4.990 4.527 0.044 0.000 0.338 158 F C 0.439 176.354 175.800 0.192 0.000 1.100 158 F CA -0.986 57.109 58.000 0.160 0.000 1.150 158 F CB 0.408 39.504 39.000 0.161 0.000 1.101 158 F HN -0.088 nan 8.300 nan 0.000 0.548 159 L N 2.112 123.430 121.223 0.158 0.000 2.462 159 L HA 0.584 4.950 4.340 0.043 0.000 0.272 159 L C -0.095 176.788 176.870 0.021 0.000 1.166 159 L CA -0.022 54.820 54.840 0.003 0.000 0.880 159 L CB 0.475 42.282 42.059 -0.422 0.000 1.142 159 L HN 0.110 nan 8.230 nan 0.000 0.473 160 A N 6.448 129.314 122.820 0.078 0.000 2.398 160 A HA 0.602 4.948 4.320 0.043 0.000 0.301 160 A C -1.059 176.531 177.584 0.010 0.000 1.041 160 A CA -0.574 51.485 52.037 0.037 0.000 0.711 160 A CB 1.196 20.244 19.000 0.080 0.000 1.240 160 A HN 0.716 nan 8.150 nan 0.000 0.420 161 L N 3.750 124.957 121.223 -0.027 0.000 2.360 161 L HA 0.310 4.676 4.340 0.043 0.000 0.265 161 L C -2.345 174.524 176.870 -0.000 0.000 1.066 161 L CA -1.913 52.916 54.840 -0.019 0.000 0.929 161 L CB 1.234 43.266 42.059 -0.044 0.000 1.306 161 L HN 0.417 nan 8.230 nan 0.000 0.434 162 P HA 0.010 nan 4.420 nan 0.000 0.262 162 P C 0.983 178.292 177.300 0.014 0.000 1.182 162 P CA 0.868 63.979 63.100 0.018 0.000 0.761 162 P CB 0.876 32.586 31.700 0.017 0.000 0.795 163 G N 1.957 110.768 108.800 0.019 0.000 2.299 163 G HA2 -0.268 3.718 3.960 0.043 0.000 0.237 163 G HA3 -0.268 3.718 3.960 0.043 0.000 0.237 163 G C 0.461 175.371 174.900 0.016 0.000 1.027 163 G CA 0.258 45.368 45.100 0.017 0.000 0.619 163 G HN 0.811 nan 8.290 nan 0.000 0.513 164 S N 0.303 116.010 115.700 0.012 0.000 2.569 164 S HA 0.439 4.935 4.470 0.043 0.000 0.274 164 S C 1.234 175.846 174.600 0.020 0.000 1.353 164 S CA 0.702 58.908 58.200 0.010 0.000 1.023 164 S CB 1.664 64.862 63.200 -0.002 0.000 0.876 164 S HN 0.586 nan 8.310 nan 0.000 0.540 165 R N 0.667 121.181 120.500 0.022 0.000 2.173 165 R HA 0.001 4.367 4.340 0.043 0.000 0.208 165 R C 1.300 177.624 176.300 0.041 0.000 1.035 165 R CA 1.002 57.121 56.100 0.031 0.000 1.004 165 R CB -0.048 30.269 30.300 0.028 0.000 0.917 165 R HN 0.924 nan 8.270 nan 0.000 0.462 166 E N -0.906 119.318 120.200 0.039 0.000 2.476 166 E HA 0.098 4.474 4.350 0.043 0.000 0.199 166 E C -0.262 176.385 176.600 0.079 0.000 1.021 166 E CA 0.188 56.624 56.400 0.061 0.000 0.907 166 E CB 1.114 30.851 29.700 0.061 0.000 0.974 166 E HN 0.178 nan 8.360 nan 0.000 0.489 167 A N 2.647 125.489 122.820 0.037 0.000 3.453 167 A HA 0.335 4.681 4.320 0.043 0.000 0.262 167 A C -2.139 175.457 177.584 0.020 0.000 1.026 167 A CA -0.896 51.153 52.037 0.019 0.000 0.938 167 A CB 0.753 19.680 19.000 -0.122 0.000 1.246 167 A HN -0.081 nan 8.150 nan 0.000 0.546 168 P HA 0.097 nan 4.420 nan 0.000 0.230 168 P C 0.953 178.283 177.300 0.051 0.000 1.158 168 P CA 1.805 64.933 63.100 0.047 0.000 0.769 168 P CB 0.053 31.789 31.700 0.059 0.000 0.807 169 G N 1.003 109.833 108.800 0.051 0.000 2.781 169 G HA2 -0.214 3.772 3.960 0.043 0.000 0.683 169 G HA3 -0.214 3.772 3.960 0.043 0.000 0.683 169 G C -0.017 174.900 174.900 0.028 0.000 1.390 169 G CA -0.262 44.873 45.100 0.058 0.000 0.850 169 G HN 0.153 nan 8.290 nan 0.000 0.557 170 N N -2.511 116.200 118.700 0.019 0.000 2.778 170 N HA -0.281 4.485 4.740 0.043 0.000 0.249 170 N C 1.861 177.259 175.510 -0.186 0.000 1.069 170 N CA 2.487 55.489 53.050 -0.080 0.000 0.831 170 N CB -1.680 36.716 38.487 -0.151 0.000 1.142 170 N HN 1.925 nan 8.380 nan 0.000 0.573 171 V N -2.703 117.097 119.914 -0.190 0.000 2.626 171 V HA -0.006 4.140 4.120 0.043 0.000 0.252 171 V C 2.359 178.336 176.094 -0.195 0.000 1.067 171 V CA 2.287 64.513 62.300 -0.123 0.000 1.081 171 V CB -0.977 30.820 31.823 -0.044 0.000 0.686 171 V HN 0.277 nan 8.190 nan 0.000 0.468 172 G N 1.000 109.471 108.800 -0.550 0.000 2.476 172 G HA2 -0.239 3.747 3.960 0.043 0.000 0.218 172 G HA3 -0.239 3.747 3.960 0.043 0.000 0.218 172 G C 1.550 176.433 174.900 -0.027 0.000 1.164 172 G CA 1.503 46.376 45.100 -0.379 0.000 0.768 172 G HN 0.561 nan 8.290 nan 0.000 0.560 173 L N -0.105 121.066 121.223 -0.088 0.000 2.217 173 L HA 0.119 4.485 4.340 0.043 0.000 0.211 173 L C 2.791 179.703 176.870 0.071 0.000 1.107 173 L CA 0.145 54.906 54.840 -0.133 0.000 0.783 173 L CB -0.255 41.412 42.059 -0.653 0.000 0.919 173 L HN 0.169 nan 8.230 nan 0.000 0.442 174 L N -0.557 120.711 121.223 0.076 0.000 2.141 174 L HA -0.180 4.186 4.340 0.043 0.000 0.209 174 L C 2.142 179.136 176.870 0.207 0.000 1.094 174 L CA 0.802 55.774 54.840 0.219 0.000 0.763 174 L CB -0.535 41.629 42.059 0.176 0.000 0.908 174 L HN 0.265 nan 8.230 nan 0.000 0.437 175 D N -0.005 120.504 120.400 0.181 0.000 2.092 175 D HA -0.211 4.455 4.640 0.043 0.000 0.193 175 D C 2.258 178.698 176.300 0.233 0.000 0.994 175 D CA 1.197 55.371 54.000 0.289 0.000 0.828 175 D CB -0.244 40.745 40.800 0.315 0.000 0.963 175 D HN 0.363 nan 8.370 nan 0.000 0.450 176 Q N 0.165 120.041 119.800 0.128 0.000 2.045 176 Q HA -0.203 4.163 4.340 0.043 0.000 0.206 176 Q C 2.318 178.305 176.000 -0.022 0.000 0.991 176 Q CA 1.412 57.208 55.803 -0.011 0.000 0.851 176 Q CB -0.206 28.539 28.738 0.011 0.000 0.911 176 Q HN 0.221 nan 8.270 nan 0.000 0.418 177 R N 0.547 121.151 120.500 0.174 0.000 2.105 177 R HA -0.198 4.168 4.340 0.043 0.000 0.239 177 R C 2.217 178.568 176.300 0.085 0.000 1.135 177 R CA 1.163 57.358 56.100 0.157 0.000 0.967 177 R CB -0.215 30.279 30.300 0.324 0.000 0.861 177 R HN 0.238 nan 8.270 nan 0.000 0.442 178 L N 0.508 121.801 121.223 0.116 0.000 2.056 178 L HA 0.020 4.386 4.340 0.043 0.000 0.207 178 L C 2.281 179.160 176.870 0.016 0.000 1.078 178 L CA 2.093 57.021 54.840 0.146 0.000 0.749 178 L CB -0.710 41.525 42.059 0.293 0.000 0.901 178 L HN 0.225 nan 8.230 nan 0.000 0.433 179 A N -0.696 121.918 122.820 -0.343 0.000 1.940 179 A HA -0.178 4.167 4.320 0.043 0.000 0.219 179 A C 2.141 179.639 177.584 -0.143 0.000 1.176 179 A CA 1.879 53.547 52.037 -0.614 0.000 0.631 179 A CB -0.844 17.550 19.000 -1.009 0.000 0.814 179 A HN 0.433 nan 8.150 nan 0.000 0.446 180 L N -0.604 120.555 121.223 -0.107 0.000 2.046 180 L HA -0.207 4.159 4.340 0.043 0.000 0.208 180 L C 2.648 179.554 176.870 0.060 0.000 1.077 180 L CA 2.158 56.979 54.840 -0.031 0.000 0.747 180 L CB -0.952 41.052 42.059 -0.092 0.000 0.896 180 L HN 0.454 nan 8.230 nan 0.000 0.432 181 Q N -2.329 117.520 119.800 0.083 0.000 2.124 181 Q HA -0.263 4.102 4.340 0.043 0.000 0.202 181 Q C 2.093 178.176 176.000 0.138 0.000 0.977 181 Q CA 2.032 57.896 55.803 0.101 0.000 0.850 181 Q CB -0.378 28.427 28.738 0.112 0.000 0.901 181 Q HN 0.586 nan 8.270 nan 0.000 0.429 182 W N -0.408 120.895 121.300 0.005 0.000 2.358 182 W HA -0.203 4.483 4.660 0.043 0.000 0.303 182 W C 1.750 178.290 176.519 0.034 0.000 1.208 182 W CA 1.202 58.569 57.345 0.038 0.000 1.274 182 W CB -0.107 29.373 29.460 0.035 0.000 1.138 182 W HN -0.115 nan 8.180 nan 0.000 0.515 183 V N 0.851 120.983 119.914 0.364 0.000 2.343 183 V HA -0.334 3.812 4.120 0.043 0.000 0.247 183 V C 2.554 178.674 176.094 0.043 0.000 1.051 183 V CA 2.007 64.448 62.300 0.235 0.000 1.036 183 V CB -0.933 31.018 31.823 0.214 0.000 0.654 183 V HN 0.201 nan 8.190 nan 0.000 0.451 184 Q N -0.083 119.743 119.800 0.043 0.000 2.112 184 Q HA -0.244 4.122 4.340 0.043 0.000 0.206 184 Q C 2.148 178.119 176.000 -0.049 0.000 0.987 184 Q CA 1.840 57.652 55.803 0.014 0.000 0.858 184 Q CB -0.236 28.517 28.738 0.025 0.000 0.905 184 Q HN 0.719 nan 8.270 nan 0.000 0.420 185 E N -0.689 119.438 120.200 -0.122 0.000 2.442 185 E HA 0.014 4.390 4.350 0.043 0.000 0.195 185 E C 1.011 177.440 176.600 -0.285 0.000 1.030 185 E CA 0.107 56.399 56.400 -0.180 0.000 0.869 185 E CB 0.345 29.938 29.700 -0.179 0.000 0.857 185 E HN 0.296 nan 8.360 nan 0.000 0.505 186 N N -0.272 118.184 118.700 -0.407 0.000 2.166 186 N HA 0.024 4.790 4.740 0.043 0.000 0.222 186 N C 1.327 176.768 175.510 -0.116 0.000 1.282 186 N CA 0.034 52.808 53.050 -0.460 0.000 0.890 186 N CB 0.537 38.307 38.487 -1.194 0.000 1.114 186 N HN 0.031 nan 8.380 nan 0.000 0.494 187 I N 2.518 123.057 120.570 -0.052 0.000 2.493 187 I HA -0.050 4.146 4.170 0.043 0.000 0.254 187 I C 2.128 178.367 176.117 0.203 0.000 1.160 187 I CA 0.654 62.044 61.300 0.150 0.000 1.445 187 I CB -0.264 37.796 38.000 0.101 0.000 1.086 187 I HN 0.067 nan 8.210 nan 0.000 0.433 188 A N 0.205 123.071 122.820 0.077 0.000 2.076 188 A HA -0.133 4.213 4.320 0.043 0.000 0.220 188 A C 2.379 179.982 177.584 0.031 0.000 1.160 188 A CA 1.647 53.712 52.037 0.047 0.000 0.653 188 A CB -0.982 18.017 19.000 -0.001 0.000 0.801 188 A HN 0.473 nan 8.150 nan 0.000 0.455 189 A N -2.036 120.785 122.820 0.002 0.000 2.169 189 A HA 0.326 4.672 4.320 0.043 0.000 0.212 189 A C 1.254 178.662 177.584 -0.294 0.000 1.153 189 A CA 0.619 52.545 52.037 -0.186 0.000 0.756 189 A CB -0.414 18.381 19.000 -0.342 0.000 0.813 189 A HN 0.455 nan 8.150 nan 0.000 0.471 190 F N -1.422 118.499 119.950 -0.048 0.000 2.653 190 F HA 0.400 4.953 4.527 0.043 0.000 0.304 190 F C 1.749 177.572 175.800 0.040 0.000 1.092 190 F CA 0.393 58.383 58.000 -0.015 0.000 1.279 190 F CB 0.508 39.514 39.000 0.010 0.000 1.044 190 F HN 0.300 nan 8.300 nan 0.000 0.564 191 G N 0.033 108.935 108.800 0.170 0.000 2.194 191 G HA2 -0.205 3.781 3.960 0.043 0.000 0.236 191 G HA3 -0.205 3.781 3.960 0.043 0.000 0.236 191 G C 0.817 175.791 174.900 0.124 0.000 0.987 191 G CA -0.319 44.853 45.100 0.120 0.000 0.635 191 G HN 0.708 nan 8.290 nan 0.000 0.520 192 G N -0.021 108.879 108.800 0.166 0.000 2.491 192 G HA2 0.400 4.386 3.960 0.043 0.000 0.238 192 G HA3 0.400 4.386 3.960 0.043 0.000 0.238 192 G C -0.464 174.491 174.900 0.092 0.000 1.277 192 G CA 0.601 45.781 45.100 0.133 0.000 0.851 192 G HN 0.267 nan 8.290 nan 0.000 0.573 193 D N 2.028 122.473 120.400 0.076 0.000 2.443 193 D HA 0.260 4.926 4.640 0.043 0.000 0.221 193 D C -1.087 175.257 176.300 0.073 0.000 1.097 193 D CA -2.382 51.648 54.000 0.051 0.000 0.865 193 D CB 1.731 42.544 40.800 0.023 0.000 1.034 193 D HN 0.077 nan 8.370 nan 0.000 0.511 194 P HA -0.080 nan 4.420 nan 0.000 0.228 194 P C 1.245 178.654 177.300 0.182 0.000 1.151 194 P CA 0.622 63.791 63.100 0.114 0.000 0.770 194 P CB 0.234 31.974 31.700 0.068 0.000 0.786 195 M N -1.395 118.249 119.600 0.072 0.000 2.561 195 M HA 0.066 4.572 4.480 0.043 0.000 0.238 195 M C 0.769 176.803 176.300 -0.443 0.000 1.131 195 M CA 0.572 55.829 55.300 -0.072 0.000 1.046 195 M CB 0.187 32.726 32.600 -0.102 0.000 1.532 195 M HN -0.178 nan 8.290 nan 0.000 0.497 196 S N 1.086 116.711 115.700 -0.125 0.000 2.259 196 S HA 0.425 4.920 4.470 0.043 0.000 0.181 196 S C -0.948 173.768 174.600 0.195 0.000 1.589 196 S CA -0.485 57.656 58.200 -0.098 0.000 1.234 196 S CB 0.445 63.590 63.200 -0.091 0.000 1.119 196 S HN -0.008 nan 8.310 nan 0.000 0.458 197 V N 4.397 124.646 119.914 0.557 0.000 2.350 197 V HA 0.467 4.613 4.120 0.043 0.000 0.285 197 V C -0.008 176.260 176.094 0.291 0.000 1.014 197 V CA -0.449 62.048 62.300 0.329 0.000 0.831 197 V CB 1.772 33.737 31.823 0.237 0.000 1.000 197 V HN 0.722 nan 8.190 nan 0.000 0.433 198 T N 6.907 121.580 114.554 0.198 0.000 2.749 198 T HA 0.565 4.941 4.350 0.043 0.000 0.287 198 T C -0.087 174.734 174.700 0.202 0.000 0.970 198 T CA -0.289 61.924 62.100 0.189 0.000 0.980 198 T CB 0.654 69.589 68.868 0.113 0.000 0.924 198 T HN 0.341 nan 8.240 nan 0.000 0.456 199 L N 5.031 126.342 121.223 0.147 0.000 2.349 199 L HA 0.624 4.990 4.340 0.043 0.000 0.275 199 L C -0.282 176.777 176.870 0.314 0.000 1.115 199 L CA -0.687 54.214 54.840 0.102 0.000 0.820 199 L CB 0.110 42.013 42.059 -0.261 0.000 1.135 199 L HN 0.611 nan 8.230 nan 0.000 0.445 200 F N 0.459 120.456 119.950 0.077 0.000 2.601 200 F HA 0.961 5.514 4.527 0.043 0.000 0.309 200 F C -0.299 175.493 175.800 -0.012 0.000 1.089 200 F CA -1.476 56.617 58.000 0.156 0.000 0.940 200 F CB 1.513 40.741 39.000 0.381 0.000 1.273 200 F HN 0.493 nan 8.300 nan 0.000 0.450 201 G N 1.138 109.806 108.800 -0.222 0.000 2.623 201 G HA2 0.507 4.493 3.960 0.043 0.000 0.290 201 G HA3 0.507 4.493 3.960 0.043 0.000 0.290 201 G C -2.428 172.255 174.900 -0.361 0.000 1.437 201 G CA -0.731 43.845 45.100 -0.873 0.000 0.798 201 G HN 0.897 nan 8.290 nan 0.000 0.488 205 G N 0.513 109.116 108.800 -0.327 0.000 2.408 205 G HA2 0.156 4.141 3.960 0.043 0.000 0.217 205 G HA3 0.156 4.141 3.960 0.043 0.000 0.217 205 G C 1.614 176.346 174.900 -0.280 0.000 1.150 205 G CA 1.642 46.504 45.100 -0.398 0.000 0.776 205 G HN 1.199 nan 8.290 nan 0.000 0.542 206 A N 1.233 123.966 122.820 -0.145 0.000 1.898 206 A HA 0.297 4.643 4.320 0.043 0.000 0.216 206 A C 2.814 180.380 177.584 -0.030 0.000 1.181 206 A CA 2.113 54.120 52.037 -0.050 0.000 0.620 206 A CB -0.771 18.256 19.000 0.045 0.000 0.819 206 A HN 0.740 nan 8.150 nan 0.000 0.442 207 A N -0.402 122.426 122.820 0.013 0.000 1.908 207 A HA -0.106 4.240 4.320 0.043 0.000 0.218 207 A C 2.454 180.035 177.584 -0.005 0.000 1.181 207 A CA 2.183 54.215 52.037 -0.007 0.000 0.627 207 A CB -0.908 18.117 19.000 0.041 0.000 0.818 207 A HN 0.457 nan 8.150 nan 0.000 0.445 208 S N -0.486 115.203 115.700 -0.018 0.000 2.348 208 S HA -0.147 4.349 4.470 0.043 0.000 0.221 208 S C 1.916 176.488 174.600 -0.048 0.000 1.033 208 S CA 1.432 59.593 58.200 -0.065 0.000 1.010 208 S CB -0.613 62.485 63.200 -0.170 0.000 0.891 208 S HN 0.343 nan 8.310 nan 0.000 0.442 209 V N 1.813 121.700 119.914 -0.044 0.000 2.324 209 V HA -0.228 3.917 4.120 0.043 0.000 0.250 209 V C 2.613 178.702 176.094 -0.009 0.000 1.060 209 V CA 2.057 64.336 62.300 -0.034 0.000 1.042 209 V CB -1.559 30.208 31.823 -0.093 0.000 0.650 209 V HN 0.614 nan 8.190 nan 0.000 0.450 210 G N -1.055 107.730 108.800 -0.024 0.000 2.440 210 G HA2 -0.319 3.667 3.960 0.043 0.000 0.218 210 G HA3 -0.319 3.667 3.960 0.043 0.000 0.218 210 G C 1.616 176.525 174.900 0.016 0.000 1.154 210 G CA 1.259 46.348 45.100 -0.017 0.000 0.767 210 G HN 0.458 nan 8.290 nan 0.000 0.552 211 M N -0.147 119.441 119.600 -0.021 0.000 2.296 211 M HA 0.021 4.527 4.480 0.043 0.000 0.265 211 M C 2.262 178.621 176.300 0.099 0.000 1.064 211 M CA 0.870 56.179 55.300 0.016 0.000 1.109 211 M CB -0.175 32.385 32.600 -0.066 0.000 1.396 211 M HN 0.241 nan 8.290 nan 0.000 0.430 212 H N -0.243 118.930 119.070 0.172 0.000 2.423 212 H HA -0.018 4.564 4.556 0.043 0.000 0.297 212 H C 2.106 177.636 175.328 0.336 0.000 1.075 212 H CA 1.426 57.597 56.048 0.204 0.000 1.342 212 H CB -0.269 29.479 29.762 -0.024 0.000 1.395 212 H HN 0.427 nan 8.280 nan 0.000 0.530 213 I N 0.770 121.591 120.570 0.418 0.000 2.286 213 I HA -0.235 3.961 4.170 0.043 0.000 0.248 213 I C 1.810 178.110 176.117 0.305 0.000 1.115 213 I CA 1.142 62.697 61.300 0.424 0.000 1.392 213 I CB -0.157 37.991 38.000 0.246 0.000 1.065 213 I HN 0.124 nan 8.210 nan 0.000 0.418 214 L N -0.475 120.882 121.223 0.224 0.000 2.611 214 L HA 0.121 4.487 4.340 0.043 0.000 0.229 214 L C 0.774 177.708 176.870 0.107 0.000 1.137 214 L CA 0.042 54.994 54.840 0.187 0.000 0.901 214 L CB 0.054 42.200 42.059 0.145 0.000 1.098 214 L HN 0.038 nan 8.230 nan 0.000 0.456 215 S N -0.184 115.557 115.700 0.068 0.000 2.707 215 S HA 0.358 4.854 4.470 0.043 0.000 0.312 215 S C 1.105 175.648 174.600 -0.094 0.000 1.116 215 S CA -0.671 57.464 58.200 -0.108 0.000 1.078 215 S CB 0.931 63.849 63.200 -0.470 0.000 0.997 215 S HN 0.145 nan 8.310 nan 0.000 0.477 216 L N 4.946 126.119 121.223 -0.084 0.000 1.978 216 L HA -0.085 4.281 4.340 0.043 0.000 0.218 216 L C -0.673 176.156 176.870 -0.068 0.000 1.075 216 L CA 1.865 56.667 54.840 -0.062 0.000 0.767 216 L CB -2.067 39.955 42.059 -0.062 0.000 0.890 216 L HN 0.499 nan 8.230 nan 0.000 0.434 217 P HA -0.119 nan 4.420 nan 0.000 0.220 217 P C 1.714 178.999 177.300 -0.026 0.000 1.144 217 P CA 1.205 64.260 63.100 -0.074 0.000 0.800 217 P CB 0.058 31.694 31.700 -0.107 0.000 0.772 218 S N -1.033 114.670 115.700 0.004 0.000 2.414 218 S HA -0.013 4.482 4.470 0.043 0.000 0.227 218 S C 1.831 176.545 174.600 0.189 0.000 1.022 218 S CA 0.531 58.839 58.200 0.180 0.000 0.958 218 S CB -0.378 63.057 63.200 0.393 0.000 0.797 218 S HN 0.067 nan 8.310 nan 0.000 0.493 219 R N 1.813 122.331 120.500 0.030 0.000 2.193 219 R HA 0.015 4.381 4.340 0.043 0.000 0.229 219 R C 2.051 178.168 176.300 -0.306 0.000 1.110 219 R CA 1.106 57.068 56.100 -0.231 0.000 0.988 219 R CB -1.070 29.136 30.300 -0.155 0.000 0.871 219 R HN 0.542 nan 8.270 nan 0.000 0.458 220 S N -0.215 115.400 115.700 -0.142 0.000 2.650 220 S HA 0.110 4.606 4.470 0.043 0.000 0.219 220 S C 1.502 176.032 174.600 -0.116 0.000 0.960 220 S CA 0.137 58.263 58.200 -0.123 0.000 0.925 220 S CB -0.139 63.026 63.200 -0.057 0.000 0.775 220 S HN 0.220 nan 8.310 nan 0.000 0.525 221 L N 0.127 121.291 121.223 -0.098 0.000 2.858 221 L HA 0.523 4.889 4.340 0.043 0.000 0.251 221 L C -0.138 176.744 176.870 0.020 0.000 1.149 221 L CA -0.399 54.444 54.840 0.004 0.000 0.955 221 L CB 0.203 42.322 42.059 0.100 0.000 1.289 221 L HN 0.510 nan 8.230 nan 0.000 0.542 222 F N -3.689 116.031 119.950 -0.384 0.000 2.773 222 F HA 0.447 5.000 4.527 0.043 0.000 0.314 222 F C 0.128 175.535 175.800 -0.655 0.000 1.160 222 F CA -0.975 56.722 58.000 -0.506 0.000 0.920 222 F CB 0.911 39.799 39.000 -0.186 0.000 1.323 222 F HN -0.094 nan 8.300 nan 0.000 0.457 223 H N -1.237 117.894 119.070 0.101 0.000 3.266 223 H HA 0.515 5.097 4.556 0.043 0.000 0.246 223 H C -0.312 175.046 175.328 0.051 0.000 0.998 223 H CA -0.280 55.744 56.048 -0.040 0.000 1.152 223 H CB 0.675 30.414 29.762 -0.037 0.000 1.466 223 H HN 0.373 nan 8.280 nan 0.000 0.481 224 R N 0.327 121.009 120.500 0.304 0.000 2.808 224 R HA 0.817 5.182 4.340 0.043 0.000 0.272 224 R C -1.420 175.123 176.300 0.405 0.000 0.995 224 R CA -0.902 55.350 56.100 0.253 0.000 0.917 224 R CB 2.600 32.862 30.300 -0.064 0.000 1.217 224 R HN 0.174 nan 8.270 nan 0.000 0.471 225 A N 1.178 124.242 122.820 0.407 0.000 2.475 225 A HA 0.731 5.077 4.320 0.043 0.000 0.301 225 A C -1.328 176.407 177.584 0.251 0.000 1.059 225 A CA -0.648 51.558 52.037 0.282 0.000 0.710 225 A CB 1.914 21.037 19.000 0.205 0.000 1.288 225 A HN 0.328 nan 8.150 nan 0.000 0.408 226 V N 2.044 122.064 119.914 0.176 0.000 2.531 226 V HA 0.460 4.605 4.120 0.043 0.000 0.301 226 V C -1.236 174.939 176.094 0.135 0.000 1.034 226 V CA -0.308 62.040 62.300 0.079 0.000 0.865 226 V CB 1.375 33.259 31.823 0.102 0.000 0.995 226 V HN 0.694 nan 8.190 nan 0.000 0.424 227 L N 5.210 126.485 121.223 0.087 0.000 2.295 227 L HA 0.525 4.891 4.340 0.043 0.000 0.281 227 L C 0.024 176.990 176.870 0.161 0.000 1.018 227 L CA 0.026 54.918 54.840 0.086 0.000 0.841 227 L CB 1.515 43.584 42.059 0.016 0.000 1.218 227 L HN 0.639 nan 8.230 nan 0.000 0.424 228 Q N 1.965 121.911 119.800 0.243 0.000 2.331 228 Q HA 0.457 4.823 4.340 0.043 0.000 0.257 228 Q C 0.425 176.550 176.000 0.207 0.000 0.957 228 Q CA -0.472 55.525 55.803 0.323 0.000 0.923 228 Q CB 1.182 30.207 28.738 0.479 0.000 1.212 228 Q HN 0.607 nan 8.270 nan 0.000 0.443 229 S N 0.804 116.612 115.700 0.180 0.000 3.587 229 S HA -0.175 4.321 4.470 0.043 0.000 0.337 229 S C 0.081 174.857 174.600 0.293 0.000 1.119 229 S CA 0.644 58.970 58.200 0.210 0.000 0.976 229 S CB -1.171 62.150 63.200 0.201 0.000 0.922 229 S HN 0.989 nan 8.310 nan 0.000 0.503 230 G N -0.587 108.351 108.800 0.230 0.000 2.601 230 G HA2 0.674 4.660 3.960 0.043 0.000 0.291 230 G HA3 0.674 4.660 3.960 0.043 0.000 0.291 230 G C -0.923 174.045 174.900 0.113 0.000 1.456 230 G CA 0.217 45.514 45.100 0.327 0.000 0.804 230 G HN 0.879 nan 8.290 nan 0.000 0.499 231 T N -1.737 112.814 114.554 -0.005 0.000 2.868 231 T HA 0.719 5.095 4.350 0.043 0.000 0.306 231 T C -2.520 172.014 174.700 -0.276 0.000 1.224 231 T CA -1.471 60.544 62.100 -0.142 0.000 1.012 231 T CB 2.802 71.573 68.868 -0.163 0.000 1.221 231 T HN 0.195 nan 8.240 nan 0.000 0.499 232 P HA 0.031 nan 4.420 nan 0.000 0.218 232 P C 0.458 177.592 177.300 -0.276 0.000 1.152 232 P CA 0.607 63.575 63.100 -0.219 0.000 0.826 232 P CB -0.070 31.559 31.700 -0.119 0.000 0.790 233 N N 0.556 119.113 118.700 -0.239 0.000 2.381 233 N HA 0.313 5.078 4.740 0.043 0.000 0.254 233 N C 0.701 176.002 175.510 -0.349 0.000 1.264 233 N CA 0.589 53.499 53.050 -0.233 0.000 0.942 233 N CB 0.091 38.485 38.487 -0.155 0.000 1.190 233 N HN 0.214 nan 8.380 nan 0.000 0.495 234 G N -0.823 107.791 108.800 -0.310 0.000 2.525 234 G HA2 -0.113 3.872 3.960 0.043 0.000 0.685 234 G HA3 -0.113 3.872 3.960 0.043 0.000 0.685 234 G C -2.328 172.334 174.900 -0.396 0.000 1.290 234 G CA -0.282 44.588 45.100 -0.384 0.000 0.915 234 G HN 0.487 nan 8.290 nan 0.000 0.548 235 P HA 0.098 nan 4.420 nan 0.000 0.222 235 P C 1.623 178.844 177.300 -0.132 0.000 1.153 235 P CA 2.190 65.149 63.100 -0.235 0.000 0.798 235 P CB -0.035 31.475 31.700 -0.316 0.000 0.796 236 W N -1.651 119.538 121.300 -0.186 0.000 2.993 236 W HA 0.584 5.269 4.660 0.043 0.000 0.290 236 W C 1.060 177.628 176.519 0.081 0.000 1.203 236 W CA 0.443 57.746 57.345 -0.070 0.000 1.582 236 W CB -0.796 28.638 29.460 -0.044 0.000 1.033 236 W HN -0.166 nan 8.180 nan 0.000 0.594 237 A N 1.781 124.321 122.820 -0.466 0.000 2.132 237 A HA 0.169 4.515 4.320 0.043 0.000 0.213 237 A C 1.095 178.540 177.584 -0.231 0.000 1.154 237 A CA 1.616 53.421 52.037 -0.386 0.000 0.753 237 A CB -0.700 17.780 19.000 -0.867 0.000 0.826 237 A HN 0.221 nan 8.150 nan 0.000 0.469 238 T N -3.155 111.276 114.554 -0.206 0.000 2.865 238 T HA 0.646 5.022 4.350 0.043 0.000 0.294 238 T C -0.635 173.997 174.700 -0.115 0.000 1.119 238 T CA -0.117 61.875 62.100 -0.180 0.000 1.007 238 T CB 1.481 70.251 68.868 -0.164 0.000 1.225 238 T HN 0.783 nan 8.240 nan 0.000 0.515 239 V N -1.256 118.599 119.914 -0.098 0.000 3.130 239 V HA 0.883 5.029 4.120 0.043 0.000 0.310 239 V C 0.274 176.337 176.094 -0.052 0.000 1.158 239 V CA -1.028 61.232 62.300 -0.067 0.000 1.029 239 V CB 1.330 33.116 31.823 -0.060 0.000 1.057 239 V HN 1.340 nan 8.190 nan 0.000 0.436 240 S N 1.293 116.969 115.700 -0.040 0.000 2.600 240 S HA 0.591 5.087 4.470 0.043 0.000 0.265 240 S C 1.299 175.889 174.600 -0.018 0.000 1.325 240 S CA 0.074 58.257 58.200 -0.028 0.000 1.002 240 S CB 1.283 64.468 63.200 -0.025 0.000 0.921 240 S HN 1.864 nan 8.310 nan 0.000 0.554 241 A N 1.746 124.561 122.820 -0.009 0.000 1.969 241 A HA 0.177 4.522 4.320 0.043 0.000 0.218 241 A C 2.128 179.712 177.584 -0.000 0.000 1.169 241 A CA 1.420 53.458 52.037 0.001 0.000 0.635 241 A CB -1.674 17.330 19.000 0.006 0.000 0.810 241 A HN 1.081 nan 8.150 nan 0.000 0.445 242 G N -0.220 108.576 108.800 -0.006 0.000 2.433 242 G HA2 -0.250 3.736 3.960 0.043 0.000 0.216 242 G HA3 -0.250 3.736 3.960 0.043 0.000 0.216 242 G C 1.439 176.333 174.900 -0.010 0.000 1.186 242 G CA 1.250 46.346 45.100 -0.007 0.000 0.779 242 G HN 0.570 nan 8.290 nan 0.000 0.543 243 E N 0.778 120.967 120.200 -0.018 0.000 2.268 243 E HA 0.116 4.492 4.350 0.043 0.000 0.195 243 E C 2.503 179.085 176.600 -0.031 0.000 0.995 243 E CA 1.265 57.649 56.400 -0.027 0.000 0.836 243 E CB -0.342 29.336 29.700 -0.037 0.000 0.763 243 E HN 0.316 nan 8.360 nan 0.000 0.491 244 A N 0.621 123.433 122.820 -0.014 0.000 1.874 244 A HA -0.065 4.281 4.320 0.043 0.000 0.214 244 A C 2.241 179.847 177.584 0.038 0.000 1.189 244 A CA 1.325 53.369 52.037 0.012 0.000 0.615 244 A CB -0.519 18.505 19.000 0.039 0.000 0.830 244 A HN 0.249 nan 8.150 nan 0.000 0.443 245 R N -0.308 120.205 120.500 0.022 0.000 2.105 245 R HA -0.169 4.196 4.340 0.043 0.000 0.239 245 R C 2.416 178.727 176.300 0.019 0.000 1.135 245 R CA 1.747 57.858 56.100 0.019 0.000 0.967 245 R CB -0.292 30.013 30.300 0.008 0.000 0.861 245 R HN 0.519 nan 8.270 nan 0.000 0.442 246 R N 0.543 121.048 120.500 0.008 0.000 2.066 246 R HA -0.103 4.263 4.340 0.043 0.000 0.232 246 R C 2.081 178.392 176.300 0.017 0.000 1.131 246 R CA 1.624 57.727 56.100 0.005 0.000 0.955 246 R CB -0.097 30.199 30.300 -0.007 0.000 0.851 246 R HN 0.289 nan 8.270 nan 0.000 0.432 247 R N -0.072 120.432 120.500 0.008 0.000 2.092 247 R HA -0.004 4.362 4.340 0.043 0.000 0.231 247 R C 2.347 178.753 176.300 0.177 0.000 1.119 247 R CA 1.118 57.228 56.100 0.017 0.000 0.970 247 R CB -0.316 29.868 30.300 -0.193 0.000 0.864 247 R HN 0.224 nan 8.270 nan 0.000 0.440 248 A N 0.872 123.812 122.820 0.199 0.000 1.902 248 A HA -0.136 4.210 4.320 0.043 0.000 0.217 248 A C 2.160 179.783 177.584 0.064 0.000 1.181 248 A CA 1.826 53.967 52.037 0.173 0.000 0.623 248 A CB -0.746 18.300 19.000 0.076 0.000 0.818 248 A HN 0.244 nan 8.150 nan 0.000 0.443 249 T N 0.114 114.694 114.554 0.042 0.000 2.737 249 T HA -0.121 4.254 4.350 0.043 0.000 0.265 249 T C 1.837 176.554 174.700 0.027 0.000 1.038 249 T CA 1.449 63.559 62.100 0.017 0.000 1.144 249 T CB -0.385 68.489 68.868 0.010 0.000 0.866 249 T HN 0.290 nan 8.240 nan 0.000 0.434 250 L N 1.210 122.460 121.223 0.045 0.000 2.042 250 L HA 0.015 4.381 4.340 0.043 0.000 0.210 250 L C 2.182 179.086 176.870 0.057 0.000 1.076 250 L CA 1.518 56.386 54.840 0.046 0.000 0.749 250 L CB -0.928 41.163 42.059 0.053 0.000 0.893 250 L HN 0.220 nan 8.230 nan 0.000 0.432 251 L N -0.402 120.886 121.223 0.108 0.000 2.056 251 L HA -0.037 4.329 4.340 0.043 0.000 0.207 251 L C 2.450 179.335 176.870 0.025 0.000 1.078 251 L CA 1.935 56.841 54.840 0.110 0.000 0.749 251 L CB -0.856 41.325 42.059 0.204 0.000 0.901 251 L HN 0.246 nan 8.230 nan 0.000 0.433 252 A N -0.151 122.673 122.820 0.007 0.000 1.933 252 A HA -0.231 4.115 4.320 0.043 0.000 0.218 252 A C 2.532 180.104 177.584 -0.019 0.000 1.175 252 A CA 1.695 53.722 52.037 -0.016 0.000 0.628 252 A CB -0.689 18.294 19.000 -0.029 0.000 0.814 252 A HN 0.559 nan 8.150 nan 0.000 0.444 253 R N -0.161 120.328 120.500 -0.017 0.000 2.073 253 R HA -0.050 4.316 4.340 0.043 0.000 0.234 253 R C 1.896 178.161 176.300 -0.058 0.000 1.134 253 R CA 1.563 57.648 56.100 -0.025 0.000 0.952 253 R CB -0.493 29.797 30.300 -0.015 0.000 0.850 253 R HN 0.477 nan 8.270 nan 0.000 0.433 254 L N 1.204 122.372 121.223 -0.091 0.000 2.189 254 L HA -0.146 4.220 4.340 0.043 0.000 0.214 254 L C 2.073 178.751 176.870 -0.320 0.000 1.097 254 L CA 1.287 55.983 54.840 -0.240 0.000 0.764 254 L CB -0.102 41.779 42.059 -0.296 0.000 0.900 254 L HN 0.295 nan 8.230 nan 0.000 0.436 255 V N -4.836 114.994 119.914 -0.141 0.000 3.528 255 V HA 0.548 4.693 4.120 0.043 0.000 0.294 255 V C 1.031 177.124 176.094 -0.001 0.000 1.404 255 V CA 0.304 62.579 62.300 -0.041 0.000 1.065 255 V CB 0.255 32.108 31.823 0.050 0.000 0.904 255 V HN 0.384 nan 8.190 nan 0.000 0.435 256 G N -0.579 108.212 108.800 -0.015 0.000 2.148 256 G HA2 -0.162 3.824 3.960 0.043 0.000 0.157 256 G HA3 -0.162 3.824 3.960 0.043 0.000 0.157 256 G C -0.048 174.854 174.900 0.004 0.000 1.012 256 G CA -0.118 44.983 45.100 0.001 0.000 0.677 256 G HN 0.678 nan 8.290 nan 0.000 0.506 266 D N 0.648 121.044 120.400 -0.006 0.000 2.078 266 D HA -0.074 4.592 4.640 0.043 0.000 0.193 266 D C 1.174 177.467 176.300 -0.012 0.000 0.990 266 D CA 2.630 56.622 54.000 -0.013 0.000 0.827 266 D CB -0.461 40.332 40.800 -0.011 0.000 0.975 266 D HN 0.739 nan 8.370 nan 0.000 0.451 267 T N 0.420 114.973 114.554 -0.001 0.000 2.665 267 T HA -0.237 4.139 4.350 0.043 0.000 0.268 267 T C 2.066 176.771 174.700 0.008 0.000 1.035 267 T CA 2.447 64.551 62.100 0.007 0.000 1.151 267 T CB -0.696 68.178 68.868 0.012 0.000 0.862 267 T HN 0.457 nan 8.240 nan 0.000 0.438 268 E N 1.032 121.235 120.200 0.005 0.000 2.110 268 E HA -0.001 4.375 4.350 0.043 0.000 0.193 268 E C 2.040 178.642 176.600 0.003 0.000 0.988 268 E CA 1.299 57.703 56.400 0.007 0.000 0.804 268 E CB -0.905 28.798 29.700 0.006 0.000 0.745 268 E HN 0.595 nan 8.360 nan 0.000 0.458 269 L N -0.646 120.573 121.223 -0.008 0.000 2.027 269 L HA -0.015 4.351 4.340 0.043 0.000 0.206 269 L C 2.644 179.495 176.870 -0.031 0.000 1.074 269 L CA 1.438 56.266 54.840 -0.020 0.000 0.745 269 L CB -0.130 41.911 42.059 -0.031 0.000 0.898 269 L HN 0.364 nan 8.230 nan 0.000 0.433 270 I N 0.107 120.652 120.570 -0.041 0.000 2.361 270 I HA -0.267 3.929 4.170 0.043 0.000 0.251 270 I C 2.717 178.863 176.117 0.048 0.000 1.133 270 I CA 1.006 62.278 61.300 -0.047 0.000 1.413 270 I CB -0.559 37.416 38.000 -0.043 0.000 1.073 270 I HN 0.355 nan 8.210 nan 0.000 0.424 271 A N -0.068 122.777 122.820 0.042 0.000 1.865 271 A HA -0.322 4.024 4.320 0.043 0.000 0.217 271 A C 2.558 180.179 177.584 0.063 0.000 1.191 271 A CA 2.088 54.159 52.037 0.057 0.000 0.623 271 A CB -1.449 17.573 19.000 0.037 0.000 0.826 271 A HN 0.628 nan 8.150 nan 0.000 0.444 272 c N -0.483 118.144 118.600 0.044 0.000 2.429 272 c HA -0.007 4.589 4.570 0.043 0.000 0.277 272 c C 2.605 176.735 174.090 0.066 0.000 1.262 272 c CA 1.095 57.450 56.329 0.044 0.000 1.733 272 c CB -1.679 40.847 42.510 0.026 0.000 2.010 272 c HN 0.567 nan 8.230 nan 0.000 0.483 273 L N 0.473 121.742 121.223 0.076 0.000 2.079 273 L HA -0.134 4.232 4.340 0.043 0.000 0.210 273 L C 3.042 180.053 176.870 0.235 0.000 1.081 273 L CA 1.646 56.568 54.840 0.137 0.000 0.752 273 L CB -0.674 41.430 42.059 0.074 0.000 0.896 273 L HN 0.346 nan 8.230 nan 0.000 0.433 274 R N -0.526 120.116 120.500 0.236 0.000 2.193 274 R HA -0.145 4.221 4.340 0.043 0.000 0.229 274 R C 2.290 178.640 176.300 0.083 0.000 1.110 274 R CA 1.762 57.962 56.100 0.167 0.000 0.988 274 R CB -0.462 29.922 30.300 0.139 0.000 0.871 274 R HN 0.558 nan 8.270 nan 0.000 0.458 275 T N -1.509 113.091 114.554 0.076 0.000 3.014 275 T HA 0.044 4.420 4.350 0.043 0.000 0.263 275 T C 1.027 175.755 174.700 0.046 0.000 1.078 275 T CA 0.020 62.149 62.100 0.048 0.000 1.135 275 T CB 0.131 69.024 68.868 0.042 0.000 0.895 275 T HN -0.071 nan 8.240 nan 0.000 0.480 276 R N 2.900 123.439 120.500 0.066 0.000 2.537 276 R HA 0.306 4.672 4.340 0.043 0.000 0.280 276 R C -2.561 173.769 176.300 0.049 0.000 1.058 276 R CA -1.901 54.238 56.100 0.065 0.000 1.057 276 R CB -0.256 30.096 30.300 0.086 0.000 0.973 276 R HN 0.316 nan 8.270 nan 0.000 0.438 277 P HA -0.032 nan 4.420 nan 0.000 0.267 277 P C 0.308 177.605 177.300 -0.006 0.000 1.200 277 P CA 0.194 63.288 63.100 -0.011 0.000 0.772 277 P CB 0.543 32.243 31.700 -0.000 0.000 0.855 278 A N 2.240 124.976 122.820 -0.140 0.000 1.940 278 A HA -0.262 4.084 4.320 0.043 0.000 0.219 278 A C 2.126 179.756 177.584 0.078 0.000 1.176 278 A CA 1.778 53.731 52.037 -0.139 0.000 0.631 278 A CB -1.153 17.244 19.000 -1.005 0.000 0.814 278 A HN 0.521 nan 8.150 nan 0.000 0.446 279 Q N 0.204 120.040 119.800 0.061 0.000 2.224 279 Q HA -0.143 4.223 4.340 0.043 0.000 0.203 279 Q C 1.127 177.248 176.000 0.202 0.000 0.970 279 Q CA 1.856 57.825 55.803 0.278 0.000 0.865 279 Q CB -0.349 28.529 28.738 0.233 0.000 0.922 279 Q HN 0.649 nan 8.270 nan 0.000 0.445 280 D N -0.597 119.891 120.400 0.147 0.000 2.117 280 D HA -0.106 4.560 4.640 0.043 0.000 0.198 280 D C 1.781 178.186 176.300 0.175 0.000 0.982 280 D CA 0.920 55.009 54.000 0.149 0.000 0.828 280 D CB -0.105 40.777 40.800 0.138 0.000 0.967 280 D HN 0.303 nan 8.370 nan 0.000 0.464 281 L N 0.277 121.593 121.223 0.154 0.000 2.005 281 L HA -0.116 4.250 4.340 0.043 0.000 0.207 281 L C 2.554 179.497 176.870 0.122 0.000 1.072 281 L CA 0.644 55.541 54.840 0.094 0.000 0.744 281 L CB -0.652 41.366 42.059 -0.068 0.000 0.895 281 L HN -0.072 nan 8.230 nan 0.000 0.433 282 V N 0.117 120.163 119.914 0.220 0.000 2.380 282 V HA -0.316 3.829 4.120 0.043 0.000 0.251 282 V C 2.152 178.349 176.094 0.171 0.000 1.063 282 V CA 1.913 64.373 62.300 0.266 0.000 1.055 282 V CB -0.599 31.477 31.823 0.423 0.000 0.657 282 V HN 0.441 nan 8.190 nan 0.000 0.455 283 D N -1.115 119.344 120.400 0.097 0.000 2.182 283 D HA -0.153 4.513 4.640 0.043 0.000 0.201 283 D C 1.929 178.019 176.300 -0.349 0.000 0.986 283 D CA 1.379 55.324 54.000 -0.093 0.000 0.847 283 D CB -0.167 40.533 40.800 -0.167 0.000 0.942 283 D HN 0.545 nan 8.370 nan 0.000 0.467 284 H N -0.666 118.392 119.070 -0.020 0.000 2.827 284 H HA 0.136 4.718 4.556 0.043 0.000 0.269 284 H C 1.589 176.901 175.328 -0.027 0.000 1.031 284 H CA -0.016 55.965 56.048 -0.112 0.000 1.202 284 H CB 0.628 30.417 29.762 0.045 0.000 1.511 284 H HN 0.259 nan 8.280 nan 0.000 0.517 285 E N 0.510 120.808 120.200 0.162 0.000 2.136 285 E HA -0.256 4.120 4.350 0.043 0.000 0.208 285 E C 1.440 178.241 176.600 0.335 0.000 1.035 285 E CA 1.689 58.263 56.400 0.290 0.000 0.838 285 E CB -0.023 29.801 29.700 0.207 0.000 0.748 285 E HN 0.344 nan 8.360 nan 0.000 0.459 286 W N 0.189 121.448 121.300 -0.069 0.000 3.077 286 W HA 0.046 4.731 4.660 0.042 0.000 0.266 286 W C 0.958 177.522 176.519 0.074 0.000 1.300 286 W CA 0.482 57.785 57.345 -0.070 0.000 1.586 286 W CB 0.025 29.363 29.460 -0.204 0.000 1.103 286 W HN 0.229 nan 8.180 nan 0.000 0.652 287 H N -0.099 119.093 119.070 0.203 0.000 2.556 287 H HA 0.060 4.642 4.556 0.043 0.000 0.273 287 H C 1.787 177.159 175.328 0.073 0.000 1.030 287 H CA 1.031 57.128 56.048 0.082 0.000 1.156 287 H CB -1.075 28.772 29.762 0.141 0.000 1.326 287 H HN 0.166 nan 8.280 nan 0.000 0.609 288 V N -2.632 117.400 119.914 0.197 0.000 3.427 288 V HA 0.254 4.400 4.120 0.043 0.000 0.305 288 V C 0.636 176.748 176.094 0.030 0.000 1.412 288 V CA -0.274 62.086 62.300 0.099 0.000 1.086 288 V CB -0.273 31.598 31.823 0.080 0.000 0.964 288 V HN -0.002 nan 8.190 nan 0.000 0.439 289 L N 2.722 123.977 121.223 0.053 0.000 2.410 289 L HA 0.277 4.643 4.340 0.043 0.000 0.273 289 L C -0.276 176.592 176.870 -0.003 0.000 1.152 289 L CA -1.139 53.716 54.840 0.025 0.000 0.855 289 L CB 1.038 43.138 42.059 0.068 0.000 1.129 289 L HN 0.129 nan 8.230 nan 0.000 0.463 290 P HA -0.150 nan 4.420 nan 0.000 0.215 290 P C -0.088 177.201 177.300 -0.019 0.000 1.153 290 P CA 1.358 64.448 63.100 -0.017 0.000 0.853 290 P CB 0.334 32.023 31.700 -0.018 0.000 0.788 291 Q N -1.453 118.336 119.800 -0.018 0.000 2.552 291 Q HA 0.353 4.719 4.340 0.043 0.000 0.289 291 Q C -0.359 175.623 176.000 -0.031 0.000 1.097 291 Q CA -0.755 55.034 55.803 -0.023 0.000 0.812 291 Q CB 1.124 29.852 28.738 -0.016 0.000 1.460 291 Q HN -0.048 nan 8.270 nan 0.000 0.452 292 E N 0.903 121.080 120.200 -0.037 0.000 2.159 292 E HA 0.206 4.582 4.350 0.043 0.000 0.272 292 E C -0.940 175.653 176.600 -0.012 0.000 1.138 292 E CA 0.059 56.432 56.400 -0.044 0.000 0.915 292 E CB 0.283 29.956 29.700 -0.046 0.000 1.028 292 E HN 0.488 nan 8.360 nan 0.000 0.423 293 S N 3.903 119.608 115.700 0.009 0.000 2.689 293 S HA 0.641 5.137 4.470 0.043 0.000 0.306 293 S C 0.003 174.647 174.600 0.073 0.000 1.104 293 S CA -0.886 57.331 58.200 0.029 0.000 0.973 293 S CB 1.171 64.380 63.200 0.015 0.000 1.121 293 S HN 0.552 nan 8.310 nan 0.000 0.523 294 I N -2.190 118.417 120.570 0.063 0.000 2.892 294 I HA 0.696 4.892 4.170 0.043 0.000 0.306 294 I C -0.634 175.480 176.117 -0.004 0.000 1.078 294 I CA -1.142 60.215 61.300 0.096 0.000 1.032 294 I CB 0.873 38.971 38.000 0.163 0.000 1.229 294 I HN 0.559 nan 8.210 nan 0.000 0.435 295 F N 2.004 121.761 119.950 -0.322 0.000 2.969 295 F HA -0.193 4.360 4.527 0.043 0.000 0.273 295 F C -0.164 175.079 175.800 -0.928 0.000 0.986 295 F CA 0.853 58.395 58.000 -0.764 0.000 0.926 295 F CB -0.708 37.767 39.000 -0.875 0.000 0.887 295 F HN 0.775 nan 8.300 nan 0.000 0.816 296 R N 1.259 121.215 120.500 -0.907 0.000 2.515 296 R HA 0.631 4.997 4.340 0.043 0.000 0.278 296 R C -1.652 174.259 176.300 -0.648 0.000 1.107 296 R CA -0.438 55.284 56.100 -0.631 0.000 0.945 296 R CB 0.933 31.125 30.300 -0.180 0.000 1.219 296 R HN -0.021 nan 8.270 nan 0.000 0.434 297 F N 1.148 121.190 119.950 0.154 0.000 2.546 297 F HA 0.423 4.975 4.527 0.043 0.000 0.320 297 F C 1.229 177.053 175.800 0.041 0.000 1.076 297 F CA -0.906 57.153 58.000 0.099 0.000 0.928 297 F CB 2.359 41.487 39.000 0.214 0.000 1.189 297 F HN 0.455 nan 8.300 nan 0.000 0.465 298 S N 0.725 116.525 115.700 0.166 0.000 2.371 298 S HA 0.047 4.543 4.470 0.043 0.000 0.224 298 S C -0.108 174.175 174.600 -0.528 0.000 1.029 298 S CA 1.081 59.189 58.200 -0.153 0.000 0.978 298 S CB -0.178 62.983 63.200 -0.065 0.000 0.833 298 S HN 0.351 nan 8.310 nan 0.000 0.466 299 F N 1.259 121.335 119.950 0.210 0.000 2.496 299 F HA 0.560 5.113 4.527 0.043 0.000 0.341 299 F C -0.132 175.744 175.800 0.126 0.000 1.134 299 F CA -0.970 57.147 58.000 0.195 0.000 0.968 299 F CB 1.579 40.721 39.000 0.236 0.000 1.205 299 F HN -0.119 nan 8.300 nan 0.000 0.436 300 V N 0.885 120.815 119.914 0.026 0.000 3.182 300 V HA 0.774 4.920 4.120 0.043 0.000 0.308 300 V C -2.977 172.785 176.094 -0.553 0.000 1.240 300 V CA -3.246 58.718 62.300 -0.560 0.000 1.063 300 V CB 2.147 33.799 31.823 -0.284 0.000 1.076 300 V HN 0.276 nan 8.190 nan 0.000 0.446 301 P HA 0.214 nan 4.420 nan 0.000 0.264 301 P C -0.708 176.461 177.300 -0.217 0.000 1.183 301 P CA 0.395 63.228 63.100 -0.443 0.000 0.763 301 P CB 0.722 32.070 31.700 -0.587 0.000 0.807 302 V N 4.810 124.676 119.914 -0.080 0.000 2.581 302 V HA 0.250 4.396 4.120 0.043 0.000 0.303 302 V C -0.345 175.733 176.094 -0.028 0.000 1.041 302 V CA -0.939 61.336 62.300 -0.041 0.000 0.907 302 V CB 2.067 33.899 31.823 0.014 0.000 0.994 302 V HN 0.163 nan 8.190 nan 0.000 0.442 303 V N 7.384 127.283 119.914 -0.027 0.000 2.359 303 V HA 0.151 4.297 4.120 0.043 0.000 0.248 303 V C 0.920 177.023 176.094 0.015 0.000 1.091 303 V CA 0.478 62.775 62.300 -0.004 0.000 1.103 303 V CB -0.095 31.719 31.823 -0.015 0.000 1.176 303 V HN 1.052 nan 8.190 nan 0.000 0.488 304 D N 2.861 123.285 120.400 0.039 0.000 2.360 304 D HA 0.099 4.765 4.640 0.043 0.000 0.210 304 D C 1.563 177.891 176.300 0.046 0.000 1.047 304 D CA 0.571 54.599 54.000 0.046 0.000 0.854 304 D CB 0.315 41.156 40.800 0.067 0.000 0.936 304 D HN 0.676 nan 8.370 nan 0.000 0.514 305 G N 0.815 109.642 108.800 0.044 0.000 2.187 305 G HA2 -0.347 3.639 3.960 0.043 0.000 0.261 305 G HA3 -0.347 3.639 3.960 0.043 0.000 0.261 305 G C 0.461 175.388 174.900 0.045 0.000 1.000 305 G CA 0.940 46.062 45.100 0.037 0.000 0.718 305 G HN 0.526 nan 8.290 nan 0.000 0.519 306 D N -1.540 118.905 120.400 0.074 0.000 3.136 306 D HA 0.197 4.863 4.640 0.043 0.000 0.254 306 D C 1.807 178.166 176.300 0.099 0.000 1.563 306 D CA 0.312 54.359 54.000 0.078 0.000 1.225 306 D CB -0.468 40.388 40.800 0.093 0.000 1.079 306 D HN 0.080 nan 8.370 nan 0.000 0.314 307 F N 1.311 121.270 119.950 0.015 0.000 2.069 307 F HA 0.141 4.693 4.527 0.043 0.000 0.298 307 F C 0.676 176.477 175.800 0.002 0.000 1.113 307 F CA 1.188 59.195 58.000 0.012 0.000 1.214 307 F CB 0.074 39.078 39.000 0.007 0.000 0.978 307 F HN -0.040 nan 8.300 nan 0.000 0.474 308 L N 0.899 122.298 121.223 0.292 0.000 2.262 308 L HA 0.199 4.565 4.340 0.043 0.000 0.288 308 L C 1.268 178.186 176.870 0.080 0.000 1.035 308 L CA -0.192 54.741 54.840 0.155 0.000 0.820 308 L CB 1.316 43.443 42.059 0.114 0.000 1.204 308 L HN 0.089 nan 8.230 nan 0.000 0.424 309 S N 0.058 115.786 115.700 0.047 0.000 2.527 309 S HA 0.061 4.557 4.470 0.043 0.000 0.222 309 S C 0.330 174.941 174.600 0.019 0.000 0.985 309 S CA 0.057 58.272 58.200 0.026 0.000 0.921 309 S CB 0.094 63.299 63.200 0.009 0.000 0.772 309 S HN 0.732 nan 8.310 nan 0.000 0.529 310 D N 0.426 120.838 120.400 0.020 0.000 2.725 310 D HA 0.233 4.899 4.640 0.043 0.000 0.292 310 D C -0.861 175.443 176.300 0.006 0.000 1.288 310 D CA -0.035 53.971 54.000 0.009 0.000 0.784 310 D CB 1.278 42.081 40.800 0.006 0.000 1.308 310 D HN 0.183 nan 8.370 nan 0.000 0.429 311 T N -0.592 113.957 114.554 -0.007 0.000 2.908 311 T HA 0.168 4.544 4.350 0.043 0.000 0.325 311 T C -1.765 172.925 174.700 -0.016 0.000 1.092 311 T CA -0.530 61.557 62.100 -0.021 0.000 1.125 311 T CB 0.695 69.544 68.868 -0.031 0.000 1.016 311 T HN 0.132 nan 8.240 nan 0.000 0.550 312 P HA -0.092 nan 4.420 nan 0.000 0.216 312 P C 1.369 178.660 177.300 -0.015 0.000 1.150 312 P CA 1.115 64.199 63.100 -0.027 0.000 0.843 312 P CB 0.066 31.720 31.700 -0.077 0.000 0.787 313 E N -0.515 119.666 120.200 -0.032 0.000 2.051 313 E HA -0.131 4.245 4.350 0.043 0.000 0.192 313 E C 2.159 178.762 176.600 0.005 0.000 0.991 313 E CA 1.439 57.828 56.400 -0.020 0.000 0.799 313 E CB -1.192 28.489 29.700 -0.032 0.000 0.748 313 E HN 0.085 nan 8.360 nan 0.000 0.449 314 A N 0.717 123.537 122.820 0.001 0.000 1.884 314 A HA -0.240 4.106 4.320 0.043 0.000 0.219 314 A C 2.206 179.806 177.584 0.027 0.000 1.197 314 A CA 1.742 53.784 52.037 0.009 0.000 0.637 314 A CB -0.883 18.118 19.000 0.002 0.000 0.827 314 A HN 0.231 nan 8.150 nan 0.000 0.450 315 L N -0.197 121.051 121.223 0.041 0.000 2.179 315 L HA -0.053 4.313 4.340 0.043 0.000 0.208 315 L C 2.537 179.499 176.870 0.155 0.000 1.096 315 L CA 1.160 56.044 54.840 0.073 0.000 0.779 315 L CB -0.560 41.548 42.059 0.081 0.000 0.922 315 L HN 0.678 nan 8.230 nan 0.000 0.443 316 I N -2.590 118.071 120.570 0.151 0.000 2.676 316 I HA -0.117 4.079 4.170 0.043 0.000 0.259 316 I C 1.665 177.896 176.117 0.190 0.000 1.194 316 I CA 1.260 62.692 61.300 0.220 0.000 1.473 316 I CB -0.396 37.653 38.000 0.082 0.000 1.096 316 I HN 0.201 nan 8.210 nan 0.000 0.443 317 N N 1.436 120.197 118.700 0.101 0.000 2.457 317 N HA -0.062 4.704 4.740 0.043 0.000 0.180 317 N C 1.469 177.012 175.510 0.055 0.000 1.050 317 N CA 1.743 54.835 53.050 0.070 0.000 0.906 317 N CB 0.012 38.522 38.487 0.038 0.000 0.968 317 N HN 0.710 nan 8.380 nan 0.000 0.445 318 T N -4.501 110.078 114.554 0.041 0.000 3.192 318 T HA 0.321 4.697 4.350 0.043 0.000 0.295 318 T C 0.745 175.386 174.700 -0.098 0.000 0.947 318 T CA -0.457 61.633 62.100 -0.016 0.000 0.916 318 T CB 0.042 68.898 68.868 -0.020 0.000 1.169 318 T HN 0.008 nan 8.240 nan 0.000 0.540 319 G N 0.639 109.347 108.800 -0.154 0.000 2.572 319 G HA2 0.460 4.445 3.960 0.043 0.000 0.261 319 G HA3 0.460 4.445 3.960 0.043 0.000 0.261 319 G C -1.150 173.309 174.900 -0.734 0.000 1.197 319 G CA -0.351 44.397 45.100 -0.587 0.000 0.870 319 G HN 0.303 nan 8.290 nan 0.000 0.548 320 D N -0.308 119.621 120.400 -0.785 0.000 2.349 320 D HA 0.437 5.103 4.640 0.043 0.000 0.232 320 D C -0.639 175.302 176.300 -0.598 0.000 1.071 320 D CA -0.636 53.051 54.000 -0.522 0.000 0.832 320 D CB 0.806 41.453 40.800 -0.255 0.000 1.086 320 D HN 0.079 nan 8.370 nan 0.000 0.504 321 F N 2.066 122.018 119.950 0.003 0.000 2.835 321 F HA 0.193 4.746 4.527 0.043 0.000 0.342 321 F C 1.830 177.634 175.800 0.006 0.000 1.202 321 F CA -0.412 57.593 58.000 0.008 0.000 1.240 321 F CB 0.405 39.418 39.000 0.022 0.000 1.005 321 F HN 0.337 nan 8.300 nan 0.000 0.507 322 Q N -0.132 119.731 119.800 0.105 0.000 2.084 322 Q HA -0.122 4.244 4.340 0.043 0.000 0.202 322 Q C 0.249 176.287 176.000 0.063 0.000 0.978 322 Q CA 1.197 57.042 55.803 0.071 0.000 0.844 322 Q CB -0.008 28.745 28.738 0.026 0.000 0.898 322 Q HN 0.295 nan 8.270 nan 0.000 0.426 323 D N 0.716 121.146 120.400 0.050 0.000 3.168 323 D HA 0.214 4.880 4.640 0.043 0.000 0.255 323 D C -0.942 175.387 176.300 0.048 0.000 1.314 323 D CA 0.012 54.033 54.000 0.035 0.000 0.900 323 D CB 0.016 40.822 40.800 0.010 0.000 1.072 323 D HN -0.023 nan 8.370 nan 0.000 0.487 324 L N 1.170 122.443 121.223 0.082 0.000 2.365 324 L HA 0.364 4.730 4.340 0.043 0.000 0.273 324 L C -1.054 175.876 176.870 0.100 0.000 1.000 324 L CA -0.561 54.338 54.840 0.098 0.000 0.819 324 L CB 2.066 44.213 42.059 0.146 0.000 1.284 324 L HN -0.158 nan 8.230 nan 0.000 0.418 325 Q N 3.145 123.017 119.800 0.120 0.000 2.340 325 Q HA 0.806 5.172 4.340 0.043 0.000 0.268 325 Q C -1.421 174.809 176.000 0.384 0.000 1.031 325 Q CA -0.498 55.426 55.803 0.202 0.000 0.804 325 Q CB 2.820 31.627 28.738 0.114 0.000 1.286 325 Q HN 0.428 nan 8.270 nan 0.000 0.448 326 V N 2.502 122.644 119.914 0.380 0.000 2.760 326 V HA 0.564 4.710 4.120 0.043 0.000 0.309 326 V C -1.476 174.609 176.094 -0.014 0.000 1.077 326 V CA -0.876 61.569 62.300 0.242 0.000 0.910 326 V CB 2.093 33.950 31.823 0.057 0.000 1.008 326 V HN 0.674 nan 8.190 nan 0.000 0.424 327 L N 6.873 127.860 121.223 -0.392 0.000 2.333 327 L HA 0.959 5.325 4.340 0.043 0.000 0.280 327 L C -0.672 176.069 176.870 -0.216 0.000 1.004 327 L CA -0.195 54.313 54.840 -0.553 0.000 0.820 327 L CB 1.827 43.063 42.059 -1.372 0.000 1.247 327 L HN 0.607 nan 8.230 nan 0.000 0.416 328 V N 1.638 121.502 119.914 -0.084 0.000 3.007 328 V HA 1.123 5.269 4.120 0.043 0.000 0.311 328 V C -0.264 175.609 176.094 -0.367 0.000 1.120 328 V CA 0.251 62.482 62.300 -0.116 0.000 0.980 328 V CB 1.186 32.913 31.823 -0.160 0.000 1.033 328 V HN 1.174 nan 8.190 nan 0.000 0.429 329 G N 0.691 109.147 108.800 -0.573 0.000 2.495 329 G HA2 0.834 4.820 3.960 0.043 0.000 0.294 329 G HA3 0.834 4.820 3.960 0.043 0.000 0.294 329 G C -1.205 173.397 174.900 -0.497 0.000 1.397 329 G CA 0.086 44.397 45.100 -1.316 0.000 0.790 329 G HN 2.170 nan 8.290 nan 0.000 0.486 330 V N -2.723 117.023 119.914 -0.281 0.000 3.232 330 V HA 0.913 5.059 4.120 0.043 0.000 0.303 330 V C -0.050 176.209 176.094 0.276 0.000 1.311 330 V CA -0.350 61.991 62.300 0.068 0.000 1.061 330 V CB 1.128 32.962 31.823 0.017 0.000 1.085 330 V HN 1.968 nan 8.190 nan 0.000 0.447 331 V N -0.718 119.377 119.914 0.302 0.000 3.096 331 V HA 0.600 4.746 4.120 0.043 0.000 0.319 331 V C 1.359 177.623 176.094 0.284 0.000 1.082 331 V CA 0.032 62.559 62.300 0.378 0.000 1.022 331 V CB 1.380 33.428 31.823 0.374 0.000 1.103 331 V HN 1.120 nan 8.190 nan 0.000 0.455 332 K N -0.214 120.349 120.400 0.272 0.000 2.147 332 K HA -0.074 4.272 4.320 0.043 0.000 0.205 332 K C 0.291 176.998 176.600 0.180 0.000 1.049 332 K CA 1.907 58.312 56.287 0.195 0.000 0.936 332 K CB 0.089 32.680 32.500 0.152 0.000 0.722 332 K HN 0.905 nan 8.250 nan 0.000 0.446 333 D N 0.744 121.260 120.400 0.193 0.000 2.739 333 D HA 0.029 4.695 4.640 0.043 0.000 0.335 333 D C 0.078 176.507 176.300 0.214 0.000 1.216 333 D CA -0.086 54.020 54.000 0.178 0.000 0.808 333 D CB 1.222 42.100 40.800 0.129 0.000 1.121 333 D HN 0.124 nan 8.370 nan 0.000 0.499 334 E N 0.594 120.938 120.200 0.241 0.000 2.097 334 E HA -0.141 4.235 4.350 0.043 0.000 0.196 334 E C 1.990 178.814 176.600 0.374 0.000 1.000 334 E CA 0.932 57.523 56.400 0.318 0.000 0.804 334 E CB 0.115 29.968 29.700 0.254 0.000 0.740 334 E HN 0.436 nan 8.360 nan 0.000 0.454 335 G N 1.128 110.099 108.800 0.285 0.000 2.430 335 G HA2 -0.226 3.760 3.960 0.043 0.000 0.216 335 G HA3 -0.226 3.760 3.960 0.043 0.000 0.216 335 G C 1.752 176.867 174.900 0.359 0.000 1.146 335 G CA 1.138 46.430 45.100 0.321 0.000 0.793 335 G HN 0.395 nan 8.290 nan 0.000 0.537 336 S N 0.345 116.185 115.700 0.234 0.000 2.359 336 S HA -0.324 4.172 4.470 0.043 0.000 0.222 336 S C 2.099 176.718 174.600 0.032 0.000 1.038 336 S CA 1.640 59.920 58.200 0.134 0.000 1.051 336 S CB -1.062 62.104 63.200 -0.056 0.000 0.944 336 S HN 0.421 nan 8.310 nan 0.000 0.433 337 Y N 1.914 122.059 120.300 -0.258 0.000 2.108 337 Y HA -0.318 4.258 4.550 0.042 0.000 0.274 337 Y C 1.908 177.638 175.900 -0.284 0.000 1.229 337 Y CA 2.383 60.188 58.100 -0.493 0.000 1.129 337 Y CB -0.730 37.325 38.460 -0.675 0.000 0.946 337 Y HN 0.355 nan 8.280 nan 0.000 0.509 338 F N -1.271 118.797 119.950 0.197 0.000 2.558 338 F HA -0.063 4.489 4.527 0.042 0.000 0.298 338 F C 1.919 177.816 175.800 0.161 0.000 1.119 338 F CA 0.504 58.621 58.000 0.196 0.000 1.451 338 F CB -0.379 38.684 39.000 0.105 0.000 1.091 338 F HN 0.011 nan 8.300 nan 0.000 0.563 339 L N -0.105 121.243 121.223 0.209 0.000 2.093 339 L HA -0.121 4.245 4.340 0.043 0.000 0.208 339 L C 2.517 179.473 176.870 0.144 0.000 1.085 339 L CA 1.008 55.835 54.840 -0.023 0.000 0.755 339 L CB -0.848 40.923 42.059 -0.480 0.000 0.904 339 L HN 0.183 nan 8.230 nan 0.000 0.435 340 V N -3.914 116.146 119.914 0.243 0.000 3.241 340 V HA -0.208 3.937 4.120 0.043 0.000 0.269 340 V C 1.357 177.516 176.094 0.108 0.000 1.151 340 V CA 1.119 63.563 62.300 0.241 0.000 1.158 340 V CB -1.058 30.912 31.823 0.245 0.000 0.764 340 V HN 0.355 nan 8.190 nan 0.000 0.508 341 Y N 1.135 121.546 120.300 0.185 0.000 2.571 341 Y HA 0.639 5.214 4.550 0.043 0.000 0.275 341 Y C 1.717 177.742 175.900 0.208 0.000 1.179 341 Y CA 0.348 58.572 58.100 0.207 0.000 1.242 341 Y CB 0.864 39.459 38.460 0.226 0.000 1.126 341 Y HN 0.419 nan 8.280 nan 0.000 0.524 342 G N -1.137 107.824 108.800 0.268 0.000 4.386 342 G HA2 -0.011 3.975 3.960 0.043 0.000 0.219 342 G HA3 -0.011 3.975 3.960 0.043 0.000 0.219 342 G C -0.903 174.084 174.900 0.145 0.000 0.758 342 G CA -0.347 44.869 45.100 0.193 0.000 0.861 342 G HN -0.059 nan 8.290 nan 0.000 0.642 343 V N 2.308 122.322 119.914 0.166 0.000 2.334 343 V HA 0.437 4.583 4.120 0.043 0.000 0.281 343 V C -2.263 174.020 176.094 0.316 0.000 1.016 343 V CA -1.983 60.427 62.300 0.184 0.000 0.832 343 V CB 1.444 33.301 31.823 0.057 0.000 0.999 343 V HN 0.027 nan 8.190 nan 0.000 0.439 344 P HA 0.264 nan 4.420 nan 0.000 0.264 344 P C 1.051 178.452 177.300 0.168 0.000 1.193 344 P CA 1.301 64.498 63.100 0.161 0.000 0.763 344 P CB 0.698 32.456 31.700 0.096 0.000 0.810 345 G N 1.575 110.411 108.800 0.060 0.000 2.218 345 G HA2 -0.200 3.786 3.960 0.043 0.000 0.216 345 G HA3 -0.200 3.786 3.960 0.043 0.000 0.216 345 G C -0.238 174.462 174.900 -0.333 0.000 0.994 345 G CA -0.623 44.384 45.100 -0.155 0.000 0.637 345 G HN 0.394 nan 8.290 nan 0.000 0.505 346 F N 1.710 121.659 119.950 -0.001 0.000 2.436 346 F HA 0.786 5.338 4.527 0.042 0.000 0.340 346 F C 0.536 176.406 175.800 0.116 0.000 1.113 346 F CA -0.170 57.838 58.000 0.014 0.000 1.022 346 F CB 2.286 41.343 39.000 0.096 0.000 1.128 346 F HN 0.198 nan 8.300 nan 0.000 0.466 347 S N 2.038 117.924 115.700 0.309 0.000 2.550 347 S HA 0.311 4.807 4.470 0.043 0.000 0.270 347 S C 0.205 175.071 174.600 0.443 0.000 1.145 347 S CA -0.882 57.515 58.200 0.329 0.000 0.852 347 S CB 1.456 64.764 63.200 0.180 0.000 1.119 347 S HN 0.759 nan 8.310 nan 0.000 0.465 348 K N 1.348 121.938 120.400 0.317 0.000 2.432 348 K HA 0.117 4.463 4.320 0.043 0.000 0.196 348 K C 0.204 176.869 176.600 0.108 0.000 1.038 348 K CA 0.970 57.385 56.287 0.213 0.000 0.986 348 K CB -0.079 32.329 32.500 -0.152 0.000 0.782 348 K HN 0.461 nan 8.250 nan 0.000 0.485 349 D N 1.356 121.801 120.400 0.075 0.000 2.262 349 D HA -0.055 4.611 4.640 0.043 0.000 0.212 349 D C 0.959 177.301 176.300 0.069 0.000 0.964 349 D CA 0.605 54.620 54.000 0.024 0.000 0.875 349 D CB -0.005 40.791 40.800 -0.006 0.000 0.996 349 D HN 0.488 nan 8.370 nan 0.000 0.497 350 N N 0.471 119.221 118.700 0.083 0.000 2.607 350 N HA 0.083 4.849 4.740 0.043 0.000 0.284 350 N C 0.396 175.940 175.510 0.057 0.000 1.365 350 N CA -0.300 52.771 53.050 0.034 0.000 0.862 350 N CB 0.421 38.888 38.487 -0.034 0.000 1.107 350 N HN -0.175 nan 8.380 nan 0.000 0.463 351 E N -1.042 119.091 120.200 -0.112 0.000 2.759 351 E HA 0.137 4.513 4.350 0.043 0.000 0.220 351 E C -0.879 175.313 176.600 -0.681 0.000 0.974 351 E CA -0.247 55.995 56.400 -0.265 0.000 1.148 351 E CB 0.572 30.207 29.700 -0.108 0.000 1.059 351 E HN 0.489 nan 8.360 nan 0.000 0.493 352 S N 0.865 116.181 115.700 -0.639 0.000 3.477 352 S HA -0.209 4.287 4.470 0.043 0.000 0.371 352 S C 0.115 174.240 174.600 -0.793 0.000 0.965 352 S CA 0.422 58.094 58.200 -0.880 0.000 1.239 352 S CB -1.478 60.897 63.200 -1.376 0.000 0.918 352 S HN 0.293 nan 8.310 nan 0.000 0.498 353 L N 1.562 122.493 121.223 -0.486 0.000 2.305 353 L HA 0.656 5.022 4.340 0.043 0.000 0.281 353 L C 0.634 177.308 176.870 -0.327 0.000 1.085 353 L CA -0.385 54.249 54.840 -0.342 0.000 0.813 353 L CB 0.579 42.511 42.059 -0.211 0.000 1.157 353 L HN 0.487 nan 8.230 nan 0.000 0.436 354 I N -0.769 119.639 120.570 -0.271 0.000 3.002 354 I HA 0.697 4.893 4.170 0.043 0.000 0.310 354 I C 0.141 176.206 176.117 -0.087 0.000 1.087 354 I CA -0.736 60.441 61.300 -0.206 0.000 1.017 354 I CB 2.199 40.060 38.000 -0.231 0.000 1.226 354 I HN 0.574 nan 8.210 nan 0.000 0.443 355 S N 2.035 117.712 115.700 -0.040 0.000 2.632 355 S HA 0.355 4.851 4.470 0.043 0.000 0.271 355 S C 0.907 175.541 174.600 0.056 0.000 1.260 355 S CA -0.498 57.700 58.200 -0.003 0.000 1.010 355 S CB 1.700 64.902 63.200 0.002 0.000 0.965 355 S HN 0.878 nan 8.310 nan 0.000 0.534 356 R N 1.173 121.702 120.500 0.049 0.000 2.133 356 R HA -0.173 4.193 4.340 0.043 0.000 0.247 356 R C 2.161 178.561 176.300 0.166 0.000 1.151 356 R CA 1.999 58.164 56.100 0.108 0.000 0.971 356 R CB -1.180 29.156 30.300 0.060 0.000 0.866 356 R HN 0.845 nan 8.270 nan 0.000 0.447 357 A N 0.179 123.060 122.820 0.102 0.000 1.855 357 A HA -0.186 4.160 4.320 0.043 0.000 0.215 357 A C 2.047 179.685 177.584 0.091 0.000 1.191 357 A CA 1.547 53.634 52.037 0.083 0.000 0.613 357 A CB -0.528 18.502 19.000 0.050 0.000 0.829 357 A HN 0.539 nan 8.150 nan 0.000 0.442 358 Q N -1.779 118.080 119.800 0.098 0.000 2.226 358 Q HA -0.156 4.210 4.340 0.043 0.000 0.204 358 Q C 1.837 177.948 176.000 0.184 0.000 0.975 358 Q CA 1.525 57.396 55.803 0.114 0.000 0.866 358 Q CB -0.303 28.485 28.738 0.082 0.000 0.915 358 Q HN 0.799 nan 8.270 nan 0.000 0.440 359 F N 1.032 121.025 119.950 0.070 0.000 2.128 359 F HA -0.138 4.419 4.527 0.050 0.000 0.295 359 F C 1.732 177.578 175.800 0.076 0.000 1.100 359 F CA 0.938 58.993 58.000 0.091 0.000 1.260 359 F CB 0.090 39.129 39.000 0.065 0.000 1.009 359 F HN -0.065 nan 8.300 nan 0.000 0.476 360 L N 0.223 121.394 121.223 -0.087 0.000 2.093 360 L HA -0.156 4.210 4.340 0.043 0.000 0.208 360 L C 2.856 179.649 176.870 -0.128 0.000 1.085 360 L CA 1.094 55.832 54.840 -0.170 0.000 0.755 360 L CB -1.676 40.374 42.059 -0.015 0.000 0.904 360 L HN 0.264 nan 8.230 nan 0.000 0.435 361 A N 1.006 123.801 122.820 -0.042 0.000 1.883 361 A HA -0.146 4.199 4.320 0.043 0.000 0.217 361 A C 2.428 179.994 177.584 -0.030 0.000 1.186 361 A CA 1.902 53.930 52.037 -0.015 0.000 0.624 361 A CB -1.266 17.750 19.000 0.027 0.000 0.822 361 A HN 0.439 nan 8.150 nan 0.000 0.444 362 G N -1.000 107.783 108.800 -0.028 0.000 2.443 362 G HA2 -0.033 3.953 3.960 0.043 0.000 0.219 362 G HA3 -0.033 3.953 3.960 0.043 0.000 0.219 362 G C 1.422 176.260 174.900 -0.103 0.000 1.131 362 G CA 1.116 46.206 45.100 -0.016 0.000 0.775 362 G HN 0.329 nan 8.290 nan 0.000 0.547 363 V N 0.968 120.750 119.914 -0.219 0.000 2.453 363 V HA -0.063 4.083 4.120 0.043 0.000 0.247 363 V C 2.757 178.790 176.094 -0.102 0.000 1.048 363 V CA 1.218 63.392 62.300 -0.210 0.000 1.049 363 V CB -0.283 31.338 31.823 -0.336 0.000 0.672 363 V HN 0.243 nan 8.190 nan 0.000 0.457 364 R N -0.225 120.227 120.500 -0.079 0.000 2.285 364 R HA 0.103 4.469 4.340 0.043 0.000 0.213 364 R C 1.842 178.125 176.300 -0.028 0.000 1.068 364 R CA 1.009 57.084 56.100 -0.042 0.000 1.004 364 R CB -0.530 29.751 30.300 -0.031 0.000 0.873 364 R HN 0.472 nan 8.270 nan 0.000 0.467 365 I N -0.860 119.694 120.570 -0.026 0.000 2.810 365 I HA 0.012 4.208 4.170 0.043 0.000 0.262 365 I C 2.210 178.326 176.117 -0.002 0.000 1.131 365 I CA 0.873 62.169 61.300 -0.006 0.000 1.453 365 I CB -0.320 37.685 38.000 0.009 0.000 1.161 365 I HN 0.140 nan 8.210 nan 0.000 0.444 366 G N 0.600 109.389 108.800 -0.018 0.000 2.421 366 G HA2 -0.073 3.913 3.960 0.043 0.000 0.217 366 G HA3 -0.073 3.913 3.960 0.043 0.000 0.217 366 G C 0.948 175.848 174.900 0.001 0.000 1.143 366 G CA 0.457 45.551 45.100 -0.011 0.000 0.784 366 G HN 0.216 nan 8.290 nan 0.000 0.541 367 V N 2.604 122.493 119.914 -0.041 0.000 2.435 367 V HA 0.203 4.349 4.120 0.043 0.000 0.263 367 V C -1.267 174.810 176.094 -0.028 0.000 1.087 367 V CA -1.011 61.233 62.300 -0.092 0.000 1.253 367 V CB 1.203 32.953 31.823 -0.121 0.000 1.462 367 V HN 0.151 nan 8.190 nan 0.000 0.547 368 P HA -0.169 nan 4.420 nan 0.000 0.223 368 P C 0.749 178.049 177.300 -0.000 0.000 1.144 368 P CA 1.109 64.209 63.100 -0.000 0.000 0.783 368 P CB 0.379 32.083 31.700 0.006 0.000 0.771 369 Q N -0.803 119.003 119.800 0.009 0.000 2.319 369 Q HA 0.402 4.768 4.340 0.043 0.000 0.202 369 Q C 0.904 176.902 176.000 -0.003 0.000 0.896 369 Q CA -0.144 55.663 55.803 0.007 0.000 0.942 369 Q CB -0.476 28.276 28.738 0.024 0.000 1.083 369 Q HN 0.091 nan 8.270 nan 0.000 0.510 370 A N 1.303 124.117 122.820 -0.011 0.000 2.407 370 A HA 0.492 4.838 4.320 0.043 0.000 0.248 370 A C 0.513 178.089 177.584 -0.013 0.000 1.082 370 A CA -0.210 51.818 52.037 -0.016 0.000 0.785 370 A CB 0.275 19.265 19.000 -0.017 0.000 1.020 370 A HN 0.400 nan 8.150 nan 0.000 0.489 371 S N 1.062 116.753 115.700 -0.014 0.000 2.655 371 S HA 0.211 4.707 4.470 0.043 0.000 0.265 371 S C 0.334 174.934 174.600 0.001 0.000 1.240 371 S CA 0.143 58.337 58.200 -0.009 0.000 0.986 371 S CB 0.540 63.731 63.200 -0.014 0.000 0.985 371 S HN 0.600 nan 8.310 nan 0.000 0.562 372 D N 0.117 120.520 120.400 0.005 0.000 2.123 372 D HA -0.075 4.590 4.640 0.043 0.000 0.196 372 D C 1.702 178.017 176.300 0.025 0.000 0.992 372 D CA 1.088 55.095 54.000 0.013 0.000 0.833 372 D CB -0.407 40.401 40.800 0.013 0.000 0.954 372 D HN 0.434 nan 8.370 nan 0.000 0.455 373 L N 0.335 121.574 121.223 0.027 0.000 2.109 373 L HA 0.073 4.439 4.340 0.043 0.000 0.207 373 L C 1.973 178.884 176.870 0.068 0.000 1.086 373 L CA 1.445 56.313 54.840 0.047 0.000 0.760 373 L CB -0.646 41.438 42.059 0.043 0.000 0.910 373 L HN -0.016 nan 8.230 nan 0.000 0.437 374 A N -0.491 122.355 122.820 0.044 0.000 1.969 374 A HA -0.027 4.319 4.320 0.043 0.000 0.218 374 A C 2.409 180.035 177.584 0.070 0.000 1.169 374 A CA 1.518 53.584 52.037 0.049 0.000 0.635 374 A CB -0.973 18.019 19.000 -0.014 0.000 0.810 374 A HN 0.544 nan 8.150 nan 0.000 0.445 375 A N -0.496 122.350 122.820 0.044 0.000 1.929 375 A HA -0.070 4.276 4.320 0.043 0.000 0.216 375 A C 1.896 179.517 177.584 0.061 0.000 1.176 375 A CA 1.524 53.582 52.037 0.035 0.000 0.628 375 A CB -0.392 18.611 19.000 0.005 0.000 0.816 375 A HN 0.584 nan 8.150 nan 0.000 0.444 376 E N -0.198 120.048 120.200 0.076 0.000 2.077 376 E HA -0.105 4.270 4.350 0.043 0.000 0.193 376 E C 2.257 178.940 176.600 0.137 0.000 0.989 376 E CA 1.024 57.485 56.400 0.102 0.000 0.800 376 E CB -0.239 29.516 29.700 0.092 0.000 0.746 376 E HN 0.605 nan 8.360 nan 0.000 0.452 377 A N 0.364 123.274 122.820 0.151 0.000 1.933 377 A HA -0.161 4.185 4.320 0.043 0.000 0.218 377 A C 2.411 180.067 177.584 0.119 0.000 1.175 377 A CA 1.228 53.365 52.037 0.167 0.000 0.628 377 A CB -0.600 18.591 19.000 0.318 0.000 0.814 377 A HN 0.155 nan 8.150 nan 0.000 0.444 378 V N -0.371 119.653 119.914 0.184 0.000 2.270 378 V HA -0.230 3.916 4.120 0.043 0.000 0.245 378 V C 2.603 178.882 176.094 0.307 0.000 1.043 378 V CA 1.975 64.406 62.300 0.218 0.000 1.014 378 V CB -0.741 31.189 31.823 0.179 0.000 0.645 378 V HN 0.379 nan 8.190 nan 0.000 0.447 379 V N 0.030 120.079 119.914 0.224 0.000 2.324 379 V HA -0.306 3.840 4.120 0.043 0.000 0.250 379 V C 2.298 178.617 176.094 0.375 0.000 1.060 379 V CA 2.157 64.646 62.300 0.316 0.000 1.042 379 V CB -0.640 31.309 31.823 0.210 0.000 0.650 379 V HN 0.455 nan 8.190 nan 0.000 0.450 380 L N -0.812 120.608 121.223 0.327 0.000 2.141 380 L HA -0.169 4.197 4.340 0.043 0.000 0.209 380 L C 2.528 179.612 176.870 0.356 0.000 1.094 380 L CA 1.952 57.058 54.840 0.443 0.000 0.763 380 L CB -0.797 41.438 42.059 0.292 0.000 0.908 380 L HN 0.462 nan 8.230 nan 0.000 0.437 381 H N -0.732 118.363 119.070 0.041 0.000 2.363 381 H HA -0.157 4.427 4.556 0.046 0.000 0.301 381 H C 1.867 177.115 175.328 -0.134 0.000 1.074 381 H CA 1.790 57.728 56.048 -0.182 0.000 1.354 381 H CB 0.074 29.458 29.762 -0.630 0.000 1.397 381 H HN 0.209 nan 8.280 nan 0.000 0.516 382 Y N -0.101 120.281 120.300 0.137 0.000 2.517 382 Y HA 0.115 4.690 4.550 0.042 0.000 0.281 382 Y C 0.873 176.737 175.900 -0.061 0.000 1.125 382 Y CA 0.438 58.613 58.100 0.124 0.000 1.283 382 Y CB 0.169 38.835 38.460 0.343 0.000 1.042 382 Y HN 0.025 nan 8.280 nan 0.000 0.547 383 T N 1.712 116.241 114.554 -0.043 0.000 2.902 383 T HA -0.077 4.299 4.350 0.043 0.000 0.301 383 T C -0.204 174.118 174.700 -0.631 0.000 1.012 383 T CA -0.078 61.712 62.100 -0.517 0.000 1.151 383 T CB 0.165 68.426 68.868 -1.011 0.000 0.946 383 T HN 0.064 nan 8.240 nan 0.000 0.542 384 D N 2.263 122.367 120.400 -0.494 0.000 2.393 384 D HA 0.104 4.770 4.640 0.043 0.000 0.232 384 D C 0.071 176.113 176.300 -0.430 0.000 1.192 384 D CA -0.708 53.099 54.000 -0.322 0.000 0.882 384 D CB 0.364 41.104 40.800 -0.100 0.000 1.038 384 D HN 0.613 nan 8.370 nan 0.000 0.499 385 W N 3.184 124.418 121.300 -0.111 0.000 2.961 385 W HA 0.057 4.740 4.660 0.039 0.000 0.240 385 W C 1.845 178.247 176.519 -0.195 0.000 1.305 385 W CA -0.223 57.047 57.345 -0.125 0.000 1.465 385 W CB -0.020 29.381 29.460 -0.098 0.000 1.135 385 W HN 0.419 nan 8.180 nan 0.000 0.688 386 L N -1.248 119.864 121.223 -0.185 0.000 2.270 386 L HA -0.025 4.341 4.340 0.043 0.000 0.210 386 L C 0.361 176.786 176.870 -0.742 0.000 1.104 386 L CA 0.997 55.544 54.840 -0.488 0.000 0.804 386 L CB -0.265 41.383 42.059 -0.686 0.000 0.937 386 L HN 0.049 nan 8.230 nan 0.000 0.450 387 H N -1.927 116.996 119.070 -0.245 0.000 2.624 387 H HA 0.151 4.714 4.556 0.011 0.000 0.233 387 H C -1.843 173.272 175.328 -0.356 0.000 1.376 387 H CA -1.245 54.600 56.048 -0.337 0.000 1.137 387 H CB 0.023 29.408 29.762 -0.629 0.000 1.867 387 H HN -0.030 nan 8.280 nan 0.000 0.547 388 P HA -0.169 nan 4.420 nan 0.000 0.223 388 P C 0.594 177.752 177.300 -0.236 0.000 1.144 388 P CA 1.309 64.203 63.100 -0.344 0.000 0.783 388 P CB 0.613 32.167 31.700 -0.242 0.000 0.771 389 E N -0.912 119.206 120.200 -0.138 0.000 2.562 389 E HA 0.042 4.418 4.350 0.043 0.000 0.214 389 E C -0.070 176.485 176.600 -0.075 0.000 0.979 389 E CA -0.256 56.090 56.400 -0.089 0.000 1.002 389 E CB 0.124 29.797 29.700 -0.044 0.000 1.048 389 E HN 0.174 nan 8.360 nan 0.000 0.488 390 D N 2.085 122.435 120.400 -0.082 0.000 2.434 390 D HA -0.014 4.652 4.640 0.043 0.000 0.252 390 D C -1.735 174.548 176.300 -0.028 0.000 1.185 390 D CA -1.507 52.469 54.000 -0.040 0.000 0.886 390 D CB 1.246 42.021 40.800 -0.041 0.000 1.148 390 D HN -0.141 nan 8.370 nan 0.000 0.483 391 P HA -0.043 nan 4.420 nan 0.000 0.225 391 P C 1.049 178.310 177.300 -0.065 0.000 1.156 391 P CA 0.668 63.727 63.100 -0.067 0.000 0.787 391 P CB 0.317 31.965 31.700 -0.086 0.000 0.802 392 T N -1.365 113.174 114.554 -0.024 0.000 2.737 392 T HA -0.144 4.232 4.350 0.043 0.000 0.265 392 T C 1.453 176.125 174.700 -0.047 0.000 1.038 392 T CA 1.528 63.600 62.100 -0.047 0.000 1.144 392 T CB -0.940 67.891 68.868 -0.062 0.000 0.866 392 T HN 0.227 nan 8.240 nan 0.000 0.434 393 H N 0.950 119.962 119.070 -0.096 0.000 2.319 393 H HA 0.054 4.630 4.556 0.033 0.000 0.299 393 H C 2.182 177.422 175.328 -0.146 0.000 1.092 393 H CA 1.188 57.176 56.048 -0.100 0.000 1.302 393 H CB -0.638 29.052 29.762 -0.120 0.000 1.373 393 H HN 0.180 nan 8.280 nan 0.000 0.497 394 L N 0.095 121.268 121.223 -0.084 0.000 2.043 394 L HA -0.232 4.134 4.340 0.043 0.000 0.212 394 L C 2.824 179.657 176.870 -0.061 0.000 1.075 394 L CA 1.512 56.180 54.840 -0.285 0.000 0.752 394 L CB -0.361 41.552 42.059 -0.243 0.000 0.891 394 L HN 0.261 nan 8.230 nan 0.000 0.432 395 R N 0.455 120.968 120.500 0.021 0.000 2.070 395 R HA -0.185 4.181 4.340 0.043 0.000 0.232 395 R C 1.788 178.243 176.300 0.258 0.000 1.138 395 R CA 2.253 58.452 56.100 0.165 0.000 0.936 395 R CB -0.614 29.643 30.300 -0.071 0.000 0.839 395 R HN 0.306 nan 8.270 nan 0.000 0.429 396 D N 0.734 121.229 120.400 0.159 0.000 2.133 396 D HA -0.161 4.505 4.640 0.043 0.000 0.195 396 D C 1.785 178.205 176.300 0.200 0.000 0.997 396 D CA 1.707 55.818 54.000 0.184 0.000 0.840 396 D CB -0.338 40.513 40.800 0.085 0.000 0.947 396 D HN 0.433 nan 8.370 nan 0.000 0.452 397 A N 0.694 123.609 122.820 0.157 0.000 1.858 397 A HA -0.189 4.157 4.320 0.043 0.000 0.216 397 A C 2.170 179.916 177.584 0.271 0.000 1.190 397 A CA 1.925 54.095 52.037 0.221 0.000 0.617 397 A CB -0.634 18.415 19.000 0.082 0.000 0.827 397 A HN 0.153 nan 8.150 nan 0.000 0.443 398 M N 0.258 120.087 119.600 0.382 0.000 2.103 398 M HA -0.185 4.321 4.480 0.043 0.000 0.255 398 M C 2.297 178.686 176.300 0.149 0.000 1.074 398 M CA 2.353 57.871 55.300 0.363 0.000 1.090 398 M CB -0.780 32.086 32.600 0.444 0.000 1.325 398 M HN 0.430 nan 8.290 nan 0.000 0.403 399 S N -0.605 115.208 115.700 0.188 0.000 2.365 399 S HA -0.172 4.324 4.470 0.043 0.000 0.225 399 S C 2.009 176.703 174.600 0.156 0.000 1.039 399 S CA 1.914 60.225 58.200 0.184 0.000 1.033 399 S CB -0.690 62.676 63.200 0.276 0.000 0.887 399 S HN 0.676 nan 8.310 nan 0.000 0.447 400 A N 0.640 123.570 122.820 0.182 0.000 1.902 400 A HA -0.001 4.345 4.320 0.043 0.000 0.217 400 A C 2.367 180.009 177.584 0.098 0.000 1.181 400 A CA 1.721 53.887 52.037 0.214 0.000 0.623 400 A CB -1.103 18.129 19.000 0.387 0.000 0.818 400 A HN 0.451 nan 8.150 nan 0.000 0.443 401 V N -0.392 119.423 119.914 -0.164 0.000 2.324 401 V HA -0.265 3.881 4.120 0.043 0.000 0.250 401 V C 2.582 178.620 176.094 -0.093 0.000 1.060 401 V CA 2.183 64.316 62.300 -0.278 0.000 1.042 401 V CB -0.677 30.969 31.823 -0.295 0.000 0.650 401 V HN 0.390 nan 8.190 nan 0.000 0.450 402 V N 0.407 120.285 119.914 -0.061 0.000 2.307 402 V HA -0.125 4.021 4.120 0.043 0.000 0.245 402 V C 2.584 178.576 176.094 -0.170 0.000 1.045 402 V CA 2.129 64.374 62.300 -0.091 0.000 1.024 402 V CB -1.218 30.596 31.823 -0.016 0.000 0.651 402 V HN 0.608 nan 8.190 nan 0.000 0.449 403 G N -0.513 108.257 108.800 -0.051 0.000 2.402 403 G HA2 -0.231 3.755 3.960 0.043 0.000 0.216 403 G HA3 -0.231 3.755 3.960 0.043 0.000 0.216 403 G C 1.257 176.078 174.900 -0.132 0.000 1.162 403 G CA 0.974 46.047 45.100 -0.045 0.000 0.777 403 G HN 0.484 nan 8.290 nan 0.000 0.539 404 D N -0.236 120.109 120.400 -0.092 0.000 2.117 404 D HA -0.090 4.576 4.640 0.043 0.000 0.198 404 D C 2.101 178.071 176.300 -0.551 0.000 0.982 404 D CA 1.210 55.123 54.000 -0.146 0.000 0.828 404 D CB -0.387 40.521 40.800 0.179 0.000 0.967 404 D HN 0.409 nan 8.370 nan 0.000 0.464 405 H N 0.700 119.202 119.070 -0.947 0.000 2.389 405 H HA 0.029 4.611 4.556 0.043 0.000 0.299 405 H C 1.466 176.359 175.328 -0.725 0.000 1.081 405 H CA 1.600 56.856 56.048 -1.320 0.000 1.345 405 H CB 0.135 29.129 29.762 -1.280 0.000 1.393 405 H HN -0.011 nan 8.280 nan 0.000 0.520 406 N N -0.959 117.287 118.700 -0.757 0.000 2.432 406 N HA 0.025 4.791 4.740 0.043 0.000 0.174 406 N C 1.313 176.580 175.510 -0.405 0.000 1.037 406 N CA 1.039 53.597 53.050 -0.820 0.000 0.892 406 N CB 1.010 38.509 38.487 -1.647 0.000 1.049 406 N HN 0.258 nan 8.380 nan 0.000 0.442 407 V N -0.131 119.601 119.914 -0.305 0.000 3.264 407 V HA 0.059 4.205 4.120 0.043 0.000 0.217 407 V C 2.241 178.284 176.094 -0.085 0.000 1.236 407 V CA 0.250 62.503 62.300 -0.078 0.000 1.287 407 V CB -0.325 31.526 31.823 0.046 0.000 1.241 407 V HN -0.172 nan 8.190 nan 0.000 0.518 408 V N 0.173 120.039 119.914 -0.080 0.000 2.252 408 V HA -0.340 3.806 4.120 0.043 0.000 0.249 408 V C 2.503 178.546 176.094 -0.084 0.000 1.056 408 V CA 2.678 64.939 62.300 -0.064 0.000 1.022 408 V CB -1.002 30.812 31.823 -0.014 0.000 0.641 408 V HN 0.669 nan 8.190 nan 0.000 0.445 409 c N -0.301 118.236 118.600 -0.105 0.000 2.466 409 c HA 0.013 4.609 4.570 0.043 0.000 0.278 409 c C 0.634 174.673 174.090 -0.084 0.000 1.288 409 c CA 1.019 57.313 56.329 -0.059 0.000 1.722 409 c CB -1.847 40.645 42.510 -0.031 0.000 2.017 409 c HN 0.469 nan 8.230 nan 0.000 0.488 410 P HA -0.080 nan 4.420 nan 0.000 0.215 410 P C 1.750 178.975 177.300 -0.126 0.000 1.153 410 P CA 1.366 64.377 63.100 -0.147 0.000 0.853 410 P CB -0.190 31.388 31.700 -0.204 0.000 0.788 411 V N 0.138 119.979 119.914 -0.121 0.000 2.343 411 V HA -0.275 3.870 4.120 0.043 0.000 0.247 411 V C 2.475 178.461 176.094 -0.180 0.000 1.051 411 V CA 2.287 64.501 62.300 -0.143 0.000 1.036 411 V CB -1.665 30.071 31.823 -0.144 0.000 0.654 411 V HN 0.105 nan 8.190 nan 0.000 0.451 412 A N -0.609 122.122 122.820 -0.149 0.000 1.883 412 A HA -0.341 4.005 4.320 0.043 0.000 0.217 412 A C 2.241 179.781 177.584 -0.074 0.000 1.186 412 A CA 2.355 54.313 52.037 -0.132 0.000 0.624 412 A CB -0.597 18.383 19.000 -0.033 0.000 0.822 412 A HN 0.638 nan 8.150 nan 0.000 0.444 413 Q N -0.889 118.884 119.800 -0.044 0.000 2.050 413 Q HA -0.178 4.188 4.340 0.043 0.000 0.202 413 Q C 1.978 177.955 176.000 -0.039 0.000 0.980 413 Q CA 1.806 57.599 55.803 -0.016 0.000 0.840 413 Q CB -0.336 28.390 28.738 -0.019 0.000 0.898 413 Q HN 0.497 nan 8.270 nan 0.000 0.424 414 L N 0.681 121.853 121.223 -0.085 0.000 2.043 414 L HA -0.157 4.209 4.340 0.043 0.000 0.212 414 L C 2.224 179.026 176.870 -0.113 0.000 1.075 414 L CA 2.338 57.115 54.840 -0.104 0.000 0.752 414 L CB -0.946 41.035 42.059 -0.130 0.000 0.891 414 L HN 0.339 nan 8.230 nan 0.000 0.432 415 A N -0.597 122.120 122.820 -0.172 0.000 1.858 415 A HA -0.063 4.283 4.320 0.043 0.000 0.216 415 A C 2.382 179.987 177.584 0.035 0.000 1.190 415 A CA 1.631 53.535 52.037 -0.222 0.000 0.617 415 A CB -1.688 16.890 19.000 -0.703 0.000 0.827 415 A HN 0.522 nan 8.150 nan 0.000 0.443 416 G N -0.454 108.434 108.800 0.146 0.000 2.476 416 G HA2 -0.287 3.699 3.960 0.043 0.000 0.218 416 G HA3 -0.287 3.699 3.960 0.043 0.000 0.218 416 G C 1.657 176.640 174.900 0.138 0.000 1.164 416 G CA 1.086 46.341 45.100 0.258 0.000 0.768 416 G HN 0.395 nan 8.290 nan 0.000 0.560 417 R N 0.114 120.661 120.500 0.079 0.000 2.092 417 R HA 0.135 4.501 4.340 0.043 0.000 0.231 417 R C 2.683 179.041 176.300 0.098 0.000 1.119 417 R CA 0.464 56.613 56.100 0.082 0.000 0.970 417 R CB -1.119 29.221 30.300 0.067 0.000 0.864 417 R HN 0.424 nan 8.270 nan 0.000 0.440 418 L N 0.054 121.289 121.223 0.020 0.000 2.027 418 L HA -0.106 4.260 4.340 0.043 0.000 0.206 418 L C 2.534 179.451 176.870 0.079 0.000 1.074 418 L CA 1.409 56.234 54.840 -0.025 0.000 0.745 418 L CB -0.621 41.340 42.059 -0.164 0.000 0.898 418 L HN 0.145 nan 8.230 nan 0.000 0.433 419 A N -0.027 122.848 122.820 0.093 0.000 1.877 419 A HA -0.173 4.173 4.320 0.043 0.000 0.216 419 A C 2.498 180.133 177.584 0.086 0.000 1.186 419 A CA 1.673 53.768 52.037 0.095 0.000 0.620 419 A CB -0.765 18.317 19.000 0.137 0.000 0.822 419 A HN 0.405 nan 8.150 nan 0.000 0.443 420 A N -1.244 121.632 122.820 0.094 0.000 1.978 420 A HA -0.158 4.188 4.320 0.043 0.000 0.220 420 A C 1.824 179.463 177.584 0.091 0.000 1.170 420 A CA 1.747 53.831 52.037 0.079 0.000 0.636 420 A CB -0.320 18.727 19.000 0.077 0.000 0.810 420 A HN 0.562 nan 8.150 nan 0.000 0.448 421 Q N -1.661 118.225 119.800 0.143 0.000 2.237 421 Q HA 0.403 4.769 4.340 0.043 0.000 0.252 421 Q C 0.898 176.998 176.000 0.167 0.000 0.877 421 Q CA 0.569 56.468 55.803 0.160 0.000 1.011 421 Q CB 0.213 29.097 28.738 0.243 0.000 1.118 421 Q HN 0.793 nan 8.270 nan 0.000 0.458 422 G N -0.803 108.069 108.800 0.120 0.000 2.217 422 G HA2 -0.304 3.682 3.960 0.043 0.000 0.246 422 G HA3 -0.304 3.682 3.960 0.043 0.000 0.246 422 G C 0.361 175.326 174.900 0.109 0.000 0.990 422 G CA -0.136 45.022 45.100 0.097 0.000 0.627 422 G HN 0.601 nan 8.290 nan 0.000 0.522 423 A N 0.115 123.021 122.820 0.143 0.000 2.386 423 A HA 0.677 5.023 4.320 0.043 0.000 0.248 423 A C 0.684 178.296 177.584 0.047 0.000 1.082 423 A CA 0.667 52.766 52.037 0.103 0.000 0.789 423 A CB 0.287 19.322 19.000 0.058 0.000 1.025 423 A HN 0.783 nan 8.150 nan 0.000 0.490 424 R N 1.452 121.974 120.500 0.036 0.000 2.221 424 R HA 0.514 4.880 4.340 0.043 0.000 0.327 424 R C -1.487 174.781 176.300 -0.053 0.000 1.033 424 R CA -0.153 55.933 56.100 -0.023 0.000 0.887 424 R CB 0.517 30.829 30.300 0.020 0.000 1.057 424 R HN 0.476 nan 8.270 nan 0.000 0.455 425 V N 5.633 125.434 119.914 -0.188 0.000 2.588 425 V HA 0.405 4.551 4.120 0.043 0.000 0.304 425 V C -1.160 174.689 176.094 -0.408 0.000 1.042 425 V CA -0.840 61.364 62.300 -0.160 0.000 0.877 425 V CB 1.594 33.410 31.823 -0.011 0.000 0.996 425 V HN 0.659 nan 8.190 nan 0.000 0.425 426 Y N 2.113 122.364 120.300 -0.082 0.000 2.393 426 Y HA 0.813 5.389 4.550 0.043 0.000 0.341 426 Y C 0.364 176.312 175.900 0.080 0.000 0.988 426 Y CA -0.561 57.467 58.100 -0.121 0.000 1.078 426 Y CB 2.197 40.222 38.460 -0.724 0.000 1.203 426 Y HN 0.779 nan 8.280 nan 0.000 0.453 427 A N 2.960 126.126 122.820 0.578 0.000 2.413 427 A HA 0.877 5.223 4.320 0.043 0.000 0.307 427 A C -1.807 176.192 177.584 0.692 0.000 1.087 427 A CA -0.687 51.593 52.037 0.404 0.000 0.750 427 A CB 1.109 20.200 19.000 0.152 0.000 1.296 427 A HN 0.763 nan 8.150 nan 0.000 0.423 428 Y N -0.798 119.751 120.300 0.415 0.000 2.655 428 Y HA 0.808 5.384 4.550 0.043 0.000 0.336 428 Y C -1.232 174.830 175.900 0.269 0.000 1.154 428 Y CA -1.628 56.667 58.100 0.325 0.000 1.055 428 Y CB 1.334 39.980 38.460 0.310 0.000 1.295 428 Y HN 0.714 nan 8.280 nan 0.000 0.465 429 I N 2.694 123.574 120.570 0.517 0.000 2.499 429 I HA 0.451 4.647 4.170 0.043 0.000 0.288 429 I C -1.914 174.533 176.117 0.551 0.000 1.048 429 I CA -1.002 60.561 61.300 0.439 0.000 1.062 429 I CB 1.260 39.429 38.000 0.282 0.000 1.238 429 I HN 0.744 nan 8.210 nan 0.000 0.426 430 F N 7.182 127.407 119.950 0.458 0.000 2.411 430 F HA 0.379 4.933 4.527 0.044 0.000 0.355 430 F C 0.747 176.691 175.800 0.240 0.000 1.117 430 F CA 0.213 58.421 58.000 0.348 0.000 1.139 430 F CB 0.917 40.137 39.000 0.368 0.000 1.120 430 F HN 0.555 nan 8.300 nan 0.000 0.493 431 E N 2.879 122.940 120.200 -0.231 0.000 2.601 431 E HA -0.024 4.352 4.350 0.043 0.000 0.219 431 E C -0.818 175.648 176.600 -0.223 0.000 0.964 431 E CA -0.159 56.171 56.400 -0.116 0.000 1.050 431 E CB 0.323 29.990 29.700 -0.056 0.000 1.068 431 E HN 0.563 nan 8.360 nan 0.000 0.496 432 H N 1.163 119.864 119.070 -0.615 0.000 2.552 432 H HA 0.238 4.820 4.556 0.043 0.000 0.311 432 H C -0.438 174.791 175.328 -0.164 0.000 1.071 432 H CA -0.470 55.277 56.048 -0.501 0.000 1.307 432 H CB 0.564 29.805 29.762 -0.867 0.000 1.416 432 H HN -0.157 nan 8.280 nan 0.000 0.464 433 R N 4.251 124.370 120.500 -0.635 0.000 2.221 433 R HA 0.490 4.856 4.340 0.043 0.000 0.327 433 R C -0.605 175.471 176.300 -0.374 0.000 1.033 433 R CA -0.633 55.287 56.100 -0.299 0.000 0.887 433 R CB 0.470 30.671 30.300 -0.166 0.000 1.057 433 R HN 0.820 nan 8.270 nan 0.000 0.455 434 A N 3.011 125.914 122.820 0.138 0.000 2.565 434 A HA -0.019 4.327 4.320 0.043 0.000 0.237 434 A C 1.361 179.062 177.584 0.195 0.000 1.053 434 A CA 0.595 52.889 52.037 0.429 0.000 0.755 434 A CB 0.282 19.654 19.000 0.619 0.000 0.980 434 A HN 1.009 nan 8.150 nan 0.000 0.506 435 S N 1.420 117.270 115.700 0.249 0.000 2.423 435 S HA -0.154 4.341 4.470 0.043 0.000 0.231 435 S C 1.411 176.030 174.600 0.032 0.000 1.014 435 S CA 1.576 59.844 58.200 0.114 0.000 0.965 435 S CB -0.832 62.453 63.200 0.141 0.000 0.785 435 S HN 1.286 nan 8.310 nan 0.000 0.495 436 T N -0.717 113.835 114.554 -0.003 0.000 3.129 436 T HA 0.341 4.717 4.350 0.043 0.000 0.251 436 T C 0.357 175.016 174.700 -0.068 0.000 1.117 436 T CA -0.465 61.558 62.100 -0.128 0.000 1.034 436 T CB -0.594 68.044 68.868 -0.382 0.000 0.968 436 T HN 0.267 nan 8.240 nan 0.000 0.526 437 L N 3.641 124.870 121.223 0.009 0.000 2.455 437 L HA 0.241 4.606 4.340 0.043 0.000 0.272 437 L C 1.534 178.382 176.870 -0.037 0.000 1.174 437 L CA 0.489 55.336 54.840 0.011 0.000 0.869 437 L CB 0.853 42.932 42.059 0.035 0.000 1.130 437 L HN 0.380 nan 8.230 nan 0.000 0.474 438 T N -0.550 113.935 114.554 -0.114 0.000 3.144 438 T HA 0.139 4.515 4.350 0.043 0.000 0.249 438 T C 0.043 174.688 174.700 -0.092 0.000 1.089 438 T CA -0.435 61.561 62.100 -0.173 0.000 0.989 438 T CB -0.396 68.204 68.868 -0.447 0.000 0.992 438 T HN 0.403 nan 8.240 nan 0.000 0.540 439 W N 2.246 123.549 121.300 0.006 0.000 2.497 439 W HA 0.556 5.242 4.660 0.043 0.000 0.359 439 W C -2.180 174.257 176.519 -0.136 0.000 1.131 439 W CA -2.475 54.837 57.345 -0.055 0.000 1.280 439 W CB 0.368 29.728 29.460 -0.166 0.000 1.319 439 W HN -0.163 nan 8.180 nan 0.000 0.626 440 P HA 0.073 nan 4.420 nan 0.000 0.274 440 P C 0.571 177.807 177.300 -0.107 0.000 1.246 440 P CA -0.076 63.019 63.100 -0.008 0.000 0.795 440 P CB 1.105 32.845 31.700 0.067 0.000 1.006 441 L N 0.137 121.362 121.223 0.003 0.000 2.093 441 L HA -0.103 4.263 4.340 0.043 0.000 0.208 441 L C 2.547 179.420 176.870 0.004 0.000 1.085 441 L CA 1.360 56.204 54.840 0.006 0.000 0.755 441 L CB -0.789 41.304 42.059 0.057 0.000 0.904 441 L HN 0.624 nan 8.230 nan 0.000 0.435 442 W N -0.444 120.891 121.300 0.058 0.000 2.468 442 W HA -0.162 4.523 4.660 0.041 0.000 0.262 442 W C 1.613 178.182 176.519 0.082 0.000 1.241 442 W CA 0.412 57.795 57.345 0.063 0.000 1.232 442 W CB -0.803 28.697 29.460 0.067 0.000 1.124 442 W HN 0.190 nan 8.180 nan 0.000 0.597 443 M N 1.214 120.387 119.600 -0.712 0.000 2.595 443 M HA 0.109 4.615 4.480 0.043 0.000 0.248 443 M C 1.896 178.054 176.300 -0.236 0.000 1.119 443 M CA 1.385 56.259 55.300 -0.710 0.000 1.079 443 M CB -0.606 31.474 32.600 -0.867 0.000 1.472 443 M HN 0.199 nan 8.290 nan 0.000 0.501 444 G N 0.870 109.602 108.800 -0.113 0.000 2.596 444 G HA2 -0.300 3.686 3.960 0.043 0.000 0.304 444 G HA3 -0.300 3.686 3.960 0.043 0.000 0.304 444 G C -0.055 174.834 174.900 -0.019 0.000 1.189 444 G CA 0.003 45.089 45.100 -0.024 0.000 0.986 444 G HN 0.267 nan 8.290 nan 0.000 0.548 445 V N 3.627 123.569 119.914 0.047 0.000 2.275 445 V HA 0.519 4.665 4.120 0.043 0.000 0.272 445 V C -1.989 174.200 176.094 0.159 0.000 1.028 445 V CA -0.852 61.521 62.300 0.121 0.000 0.810 445 V CB 1.476 33.420 31.823 0.202 0.000 1.043 445 V HN 0.527 nan 8.190 nan 0.000 0.453 446 P HA 0.268 nan 4.420 nan 0.000 0.282 446 P C -0.335 177.144 177.300 0.297 0.000 1.259 446 P CA -0.712 62.466 63.100 0.130 0.000 0.826 446 P CB 0.414 32.066 31.700 -0.081 0.000 1.064 447 H N 1.017 120.155 119.070 0.112 0.000 3.223 447 H HA 0.136 4.718 4.556 0.043 0.000 0.287 447 H C 1.512 176.790 175.328 -0.083 0.000 0.910 447 H CA 2.502 58.560 56.048 0.017 0.000 1.406 447 H CB -0.785 28.939 29.762 -0.064 0.000 1.377 447 H HN 0.772 nan 8.280 nan 0.000 0.556 448 G N 3.536 112.117 108.800 -0.366 0.000 2.195 448 G HA2 -0.294 3.692 3.960 0.043 0.000 0.224 448 G HA3 -0.294 3.692 3.960 0.043 0.000 0.224 448 G C 0.361 175.145 174.900 -0.192 0.000 0.990 448 G CA 0.282 45.140 45.100 -0.403 0.000 0.639 448 G HN 0.627 nan 8.290 nan 0.000 0.514 449 Y N 1.538 121.921 120.300 0.139 0.000 2.625 449 Y HA 0.304 4.880 4.550 0.044 0.000 0.285 449 Y C 2.106 178.156 175.900 0.250 0.000 1.168 449 Y CA 0.504 58.762 58.100 0.263 0.000 1.250 449 Y CB 0.402 39.065 38.460 0.338 0.000 1.130 449 Y HN 0.488 nan 8.280 nan 0.000 0.526 450 E N 0.036 120.221 120.200 -0.025 0.000 2.276 450 E HA -0.049 4.327 4.350 0.043 0.000 0.193 450 E C 1.629 178.099 176.600 -0.216 0.000 0.983 450 E CA 0.655 56.686 56.400 -0.615 0.000 0.861 450 E CB -0.348 28.654 29.700 -1.163 0.000 0.817 450 E HN 0.535 nan 8.360 nan 0.000 0.485 451 I N 2.875 123.403 120.570 -0.071 0.000 2.151 451 I HA -0.333 3.863 4.170 0.043 0.000 0.243 451 I C 2.710 178.802 176.117 -0.042 0.000 1.080 451 I CA 2.268 63.567 61.300 -0.002 0.000 1.339 451 I CB -0.526 37.529 38.000 0.090 0.000 1.039 451 I HN 0.230 nan 8.210 nan 0.000 0.409 452 E N 0.999 121.117 120.200 -0.136 0.000 2.160 452 E HA -0.234 4.142 4.350 0.043 0.000 0.195 452 E C 2.104 178.439 176.600 -0.442 0.000 0.991 452 E CA 1.462 57.676 56.400 -0.311 0.000 0.810 452 E CB -0.572 28.908 29.700 -0.367 0.000 0.742 452 E HN 0.429 nan 8.360 nan 0.000 0.466 453 F N 1.616 121.455 119.950 -0.185 0.000 2.128 453 F HA -0.089 4.465 4.527 0.044 0.000 0.295 453 F C 2.447 178.016 175.800 -0.385 0.000 1.100 453 F CA 0.708 58.547 58.000 -0.268 0.000 1.260 453 F CB -0.290 38.648 39.000 -0.103 0.000 1.009 453 F HN -0.052 nan 8.300 nan 0.000 0.476 454 I N -0.629 119.766 120.570 -0.291 0.000 2.151 454 I HA -0.319 3.877 4.170 0.043 0.000 0.243 454 I C 2.212 178.081 176.117 -0.413 0.000 1.080 454 I CA 1.836 62.802 61.300 -0.557 0.000 1.339 454 I CB -1.515 36.012 38.000 -0.789 0.000 1.039 454 I HN 0.091 nan 8.210 nan 0.000 0.409 455 F N 0.883 120.636 119.950 -0.328 0.000 2.748 455 F HA 0.156 4.709 4.527 0.043 0.000 0.299 455 F C 1.868 177.538 175.800 -0.218 0.000 1.154 455 F CA 0.954 58.810 58.000 -0.239 0.000 1.446 455 F CB -0.275 38.572 39.000 -0.255 0.000 1.112 455 F HN 0.325 nan 8.300 nan 0.000 0.584 456 G N -0.342 108.317 108.800 -0.235 0.000 2.132 456 G HA2 -0.280 3.706 3.960 0.043 0.000 0.234 456 G HA3 -0.280 3.706 3.960 0.043 0.000 0.234 456 G C 0.949 175.291 174.900 -0.931 0.000 0.989 456 G CA 0.251 45.088 45.100 -0.439 0.000 0.676 456 G HN 0.272 nan 8.290 nan 0.000 0.522 457 L N 0.637 121.371 121.223 -0.814 0.000 2.042 457 L HA 0.047 4.413 4.340 0.043 0.000 0.210 457 L C 0.505 176.884 176.870 -0.819 0.000 1.076 457 L CA 2.804 57.115 54.840 -0.881 0.000 0.749 457 L CB -1.075 40.703 42.059 -0.469 0.000 0.893 457 L HN 0.180 nan 8.230 nan 0.000 0.432 458 P HA -0.190 nan 4.420 nan 0.000 0.219 458 P C 1.615 178.708 177.300 -0.345 0.000 1.144 458 P CA 1.096 63.737 63.100 -0.764 0.000 0.806 458 P CB 0.013 31.275 31.700 -0.729 0.000 0.771 459 L N -1.415 119.537 121.223 -0.453 0.000 2.291 459 L HA -0.018 4.347 4.340 0.043 0.000 0.214 459 L C 0.964 177.757 176.870 -0.128 0.000 1.120 459 L CA 1.046 55.731 54.840 -0.259 0.000 0.799 459 L CB -1.207 40.702 42.059 -0.251 0.000 0.925 459 L HN -0.048 nan 8.230 nan 0.000 0.446 460 D N -0.049 120.242 120.400 -0.182 0.000 2.338 460 D HA 0.051 4.717 4.640 0.043 0.000 0.255 460 D C -1.672 174.648 176.300 0.033 0.000 1.237 460 D CA -1.881 52.140 54.000 0.034 0.000 0.883 460 D CB 1.515 42.382 40.800 0.111 0.000 1.087 460 D HN -0.021 nan 8.370 nan 0.000 0.485 461 P HA -0.113 nan 4.420 nan 0.000 0.216 461 P C 1.215 178.534 177.300 0.031 0.000 1.153 461 P CA 0.973 64.095 63.100 0.037 0.000 0.844 461 P CB -0.010 31.708 31.700 0.029 0.000 0.787 462 S N -1.140 114.575 115.700 0.025 0.000 2.584 462 S HA -0.064 4.431 4.470 0.043 0.000 0.240 462 S C 1.614 176.207 174.600 -0.012 0.000 0.975 462 S CA 0.702 58.905 58.200 0.005 0.000 0.949 462 S CB -1.487 61.716 63.200 0.005 0.000 0.761 462 S HN 0.093 nan 8.310 nan 0.000 0.536 463 L N 0.493 121.721 121.223 0.008 0.000 2.567 463 L HA 0.193 4.559 4.340 0.043 0.000 0.225 463 L C 0.303 177.085 176.870 -0.147 0.000 1.119 463 L CA -0.027 54.792 54.840 -0.035 0.000 0.871 463 L CB -0.409 41.710 42.059 0.100 0.000 1.036 463 L HN 0.233 nan 8.230 nan 0.000 0.459 464 N N -1.836 116.824 118.700 -0.066 0.000 2.800 464 N HA -0.243 4.523 4.740 0.043 0.000 0.250 464 N C -0.475 174.971 175.510 -0.106 0.000 1.078 464 N CA 0.821 53.819 53.050 -0.087 0.000 0.804 464 N CB -1.799 36.617 38.487 -0.119 0.000 1.135 464 N HN 0.236 nan 8.380 nan 0.000 0.565 465 Y N 1.328 121.618 120.300 -0.017 0.000 2.397 465 Y HA 0.114 4.689 4.550 0.043 0.000 0.335 465 Y C 2.016 177.939 175.900 0.039 0.000 1.213 465 Y CA 0.341 58.454 58.100 0.021 0.000 1.391 465 Y CB 0.439 38.897 38.460 -0.002 0.000 1.293 465 Y HN 0.104 nan 8.280 nan 0.000 0.557 466 T N -2.174 112.526 114.554 0.244 0.000 2.680 466 T HA -0.056 4.320 4.350 0.043 0.000 0.314 466 T C 1.323 176.103 174.700 0.132 0.000 1.045 466 T CA 0.107 62.298 62.100 0.152 0.000 1.025 466 T CB 0.864 69.815 68.868 0.137 0.000 1.000 466 T HN 0.800 nan 8.240 nan 0.000 0.535 467 T N -0.599 114.004 114.554 0.082 0.000 2.978 467 T HA -0.008 4.368 4.350 0.043 0.000 0.262 467 T C 1.573 176.302 174.700 0.050 0.000 1.063 467 T CA 1.234 63.368 62.100 0.058 0.000 1.140 467 T CB -0.552 68.338 68.868 0.037 0.000 0.886 467 T HN 0.749 nan 8.240 nan 0.000 0.470 468 E N 1.067 121.294 120.200 0.044 0.000 2.204 468 E HA -0.025 4.351 4.350 0.043 0.000 0.194 468 E C 2.132 178.751 176.600 0.032 0.000 0.989 468 E CA 0.902 57.312 56.400 0.017 0.000 0.824 468 E CB -0.088 29.602 29.700 -0.017 0.000 0.756 468 E HN 0.630 nan 8.360 nan 0.000 0.477 469 E N 0.270 120.522 120.200 0.087 0.000 2.152 469 E HA -0.074 4.302 4.350 0.043 0.000 0.192 469 E C 2.018 178.714 176.600 0.161 0.000 0.983 469 E CA 0.250 56.758 56.400 0.181 0.000 0.818 469 E CB 0.118 30.032 29.700 0.356 0.000 0.758 469 E HN 0.033 nan 8.360 nan 0.000 0.467 470 R N 0.927 121.469 120.500 0.071 0.000 2.090 470 R HA -0.061 4.304 4.340 0.043 0.000 0.228 470 R C 2.061 178.359 176.300 -0.003 0.000 1.110 470 R CA 0.787 56.882 56.100 -0.009 0.000 0.973 470 R CB -0.185 30.108 30.300 -0.011 0.000 0.869 470 R HN 0.210 nan 8.270 nan 0.000 0.440 471 I N 0.381 120.970 120.570 0.031 0.000 2.315 471 I HA -0.258 3.937 4.170 0.043 0.000 0.248 471 I C 2.159 178.308 176.117 0.053 0.000 1.117 471 I CA 0.870 62.184 61.300 0.025 0.000 1.404 471 I CB -0.299 37.718 38.000 0.028 0.000 1.071 471 I HN 0.087 nan 8.210 nan 0.000 0.419 472 F N 1.795 121.688 119.950 -0.095 0.000 2.186 472 F HA -0.149 4.404 4.527 0.045 0.000 0.299 472 F C 2.406 178.162 175.800 -0.073 0.000 1.090 472 F CA 1.156 59.084 58.000 -0.121 0.000 1.307 472 F CB -0.544 38.315 39.000 -0.235 0.000 1.019 472 F HN 0.003 nan 8.300 nan 0.000 0.489 473 A N 0.158 122.922 122.820 -0.094 0.000 1.933 473 A HA -0.217 4.129 4.320 0.043 0.000 0.218 473 A C 2.131 179.569 177.584 -0.243 0.000 1.175 473 A CA 1.746 53.661 52.037 -0.203 0.000 0.628 473 A CB -0.764 18.132 19.000 -0.174 0.000 0.814 473 A HN 0.609 nan 8.150 nan 0.000 0.444 474 Q N -0.716 118.980 119.800 -0.172 0.000 2.119 474 Q HA -0.127 4.238 4.340 0.043 0.000 0.201 474 Q C 2.280 178.156 176.000 -0.207 0.000 0.972 474 Q CA 1.207 56.916 55.803 -0.156 0.000 0.847 474 Q CB -0.189 28.490 28.738 -0.099 0.000 0.903 474 Q HN 0.626 nan 8.270 nan 0.000 0.433 475 R N 0.595 120.951 120.500 -0.240 0.000 2.073 475 R HA -0.096 4.269 4.340 0.043 0.000 0.234 475 R C 2.389 178.378 176.300 -0.518 0.000 1.134 475 R CA 1.189 57.061 56.100 -0.380 0.000 0.952 475 R CB -0.321 29.825 30.300 -0.257 0.000 0.850 475 R HN 0.233 nan 8.270 nan 0.000 0.433 476 L N 0.100 121.094 121.223 -0.381 0.000 2.017 476 L HA -0.201 4.165 4.340 0.043 0.000 0.208 476 L C 2.568 179.360 176.870 -0.130 0.000 1.073 476 L CA 1.470 56.175 54.840 -0.224 0.000 0.745 476 L CB -0.465 41.318 42.059 -0.461 0.000 0.894 476 L HN 0.280 nan 8.230 nan 0.000 0.432 477 M N -0.668 118.807 119.600 -0.209 0.000 2.202 477 M HA -0.209 4.297 4.480 0.043 0.000 0.262 477 M C 2.326 178.606 176.300 -0.033 0.000 1.063 477 M CA 1.551 56.770 55.300 -0.134 0.000 1.097 477 M CB -0.325 32.188 32.600 -0.145 0.000 1.382 477 M HN 0.109 nan 8.290 nan 0.000 0.413 478 K N -0.140 120.200 120.400 -0.100 0.000 2.025 478 K HA -0.130 4.215 4.320 0.043 0.000 0.207 478 K C 1.861 178.491 176.600 0.049 0.000 1.049 478 K CA 1.670 57.907 56.287 -0.083 0.000 0.933 478 K CB -0.367 32.010 32.500 -0.205 0.000 0.714 478 K HN 0.325 nan 8.250 nan 0.000 0.438 479 Y N -0.293 120.131 120.300 0.206 0.000 2.114 479 Y HA -0.213 4.363 4.550 0.043 0.000 0.284 479 Y C 2.484 178.517 175.900 0.221 0.000 1.143 479 Y CA 0.762 59.013 58.100 0.251 0.000 1.135 479 Y CB -0.931 37.816 38.460 0.478 0.000 0.980 479 Y HN 0.208 nan 8.280 nan 0.000 0.499 480 W N 0.745 122.112 121.300 0.111 0.000 2.335 480 W HA -0.261 4.424 4.660 0.042 0.000 0.311 480 W C 2.538 179.056 176.519 -0.001 0.000 1.213 480 W CA 2.348 59.697 57.345 0.007 0.000 1.274 480 W CB -0.693 28.691 29.460 -0.127 0.000 1.148 480 W HN 0.257 nan 8.180 nan 0.000 0.498 481 T N -2.231 112.428 114.554 0.175 0.000 2.904 481 T HA -0.135 4.241 4.350 0.043 0.000 0.267 481 T C 1.455 176.181 174.700 0.043 0.000 1.059 481 T CA 1.202 63.336 62.100 0.057 0.000 1.137 481 T CB -0.594 68.284 68.868 0.017 0.000 0.879 481 T HN -0.078 nan 8.240 nan 0.000 0.467 482 N N 0.922 119.665 118.700 0.071 0.000 2.120 482 N HA -0.007 4.759 4.740 0.043 0.000 0.188 482 N C 1.385 176.896 175.510 0.001 0.000 1.024 482 N CA 0.995 54.067 53.050 0.036 0.000 0.852 482 N CB -0.735 37.792 38.487 0.067 0.000 1.003 482 N HN 0.442 nan 8.380 nan 0.000 0.424 483 F N 1.727 121.595 119.950 -0.136 0.000 2.091 483 F HA -0.191 4.362 4.527 0.044 0.000 0.299 483 F C 2.176 177.896 175.800 -0.133 0.000 1.103 483 F CA 1.559 59.430 58.000 -0.215 0.000 1.228 483 F CB -0.493 38.295 39.000 -0.354 0.000 0.984 483 F HN 0.052 nan 8.300 nan 0.000 0.477 484 A N 0.229 122.986 122.820 -0.105 0.000 1.898 484 A HA -0.155 4.191 4.320 0.043 0.000 0.216 484 A C 2.336 179.823 177.584 -0.162 0.000 1.181 484 A CA 1.552 53.499 52.037 -0.149 0.000 0.620 484 A CB -0.685 18.287 19.000 -0.047 0.000 0.819 484 A HN 0.438 nan 8.150 nan 0.000 0.442 485 R N -0.940 119.491 120.500 -0.114 0.000 2.081 485 R HA -0.099 4.267 4.340 0.043 0.000 0.235 485 R C 1.748 177.967 176.300 -0.135 0.000 1.131 485 R CA 1.940 57.983 56.100 -0.096 0.000 0.960 485 R CB -0.206 30.060 30.300 -0.056 0.000 0.856 485 R HN 0.724 nan 8.270 nan 0.000 0.436 486 T N -5.952 108.491 114.554 -0.185 0.000 3.041 486 T HA 0.246 4.622 4.350 0.043 0.000 0.276 486 T C 1.122 175.681 174.700 -0.235 0.000 0.948 486 T CA 0.257 62.257 62.100 -0.167 0.000 0.885 486 T CB 1.336 70.144 68.868 -0.101 0.000 1.175 486 T HN 0.323 nan 8.240 nan 0.000 0.529 487 G N 1.509 110.025 108.800 -0.473 0.000 2.155 487 G HA2 -0.209 3.777 3.960 0.043 0.000 0.257 487 G HA3 -0.209 3.777 3.960 0.043 0.000 0.257 487 G C -0.311 174.485 174.900 -0.174 0.000 0.983 487 G CA 0.376 45.114 45.100 -0.603 0.000 0.676 487 G HN 0.779 nan 8.290 nan 0.000 0.528 488 D N -0.624 119.684 120.400 -0.152 0.000 2.686 488 D HA 0.421 5.087 4.640 0.043 0.000 0.249 488 D C -1.269 174.883 176.300 -0.248 0.000 1.260 488 D CA -1.656 52.218 54.000 -0.210 0.000 0.910 488 D CB 2.103 42.862 40.800 -0.067 0.000 1.323 488 D HN 0.034 nan 8.370 nan 0.000 0.561 489 P HA -0.046 nan 4.420 nan 0.000 0.229 489 P C 0.052 177.375 177.300 0.039 0.000 1.160 489 P CA 0.069 63.008 63.100 -0.269 0.000 0.777 489 P CB 0.449 31.662 31.700 -0.811 0.000 0.814 490 N N 1.944 120.619 118.700 -0.041 0.000 2.513 490 N HA 0.006 4.772 4.740 0.043 0.000 0.268 490 N C 0.172 175.752 175.510 0.116 0.000 1.180 490 N CA 0.349 53.477 53.050 0.129 0.000 0.948 490 N CB 0.315 38.859 38.487 0.096 0.000 1.083 490 N HN 0.018 nan 8.380 nan 0.000 0.455 491 D N 2.234 122.725 120.400 0.151 0.000 2.472 491 D HA 0.012 4.678 4.640 0.043 0.000 0.248 491 D C -1.338 175.002 176.300 0.065 0.000 1.174 491 D CA -0.977 53.077 54.000 0.089 0.000 0.883 491 D CB 0.946 41.795 40.800 0.081 0.000 1.149 491 D HN 0.318 nan 8.370 nan 0.000 0.488 492 P HA 0.030 nan 4.420 nan 0.000 0.233 492 P C -0.400 176.918 177.300 0.031 0.000 1.167 492 P CA 0.528 63.647 63.100 0.031 0.000 0.770 492 P CB 0.533 32.243 31.700 0.017 0.000 0.837 493 R N 0.116 120.635 120.500 0.033 0.000 2.508 493 R HA 0.451 4.817 4.340 0.043 0.000 0.283 493 R C -1.610 174.711 176.300 0.034 0.000 1.120 493 R CA -0.532 55.586 56.100 0.030 0.000 0.958 493 R CB 1.354 31.667 30.300 0.022 0.000 1.215 493 R HN -0.127 nan 8.270 nan 0.000 0.427 494 D N 1.187 121.610 120.400 0.038 0.000 3.439 494 D HA -0.101 4.565 4.640 0.043 0.000 0.117 494 D C -1.074 175.257 176.300 0.052 0.000 0.790 494 D CA 0.031 54.057 54.000 0.042 0.000 2.011 494 D CB 0.214 41.042 40.800 0.047 0.000 1.511 494 D HN 0.358 nan 8.370 nan 0.000 0.920 495 S N 2.607 118.334 115.700 0.045 0.000 2.632 495 S HA 0.443 4.939 4.470 0.043 0.000 0.254 495 S C -0.114 174.520 174.600 0.056 0.000 1.291 495 S CA 0.548 58.777 58.200 0.048 0.000 0.974 495 S CB 0.477 63.700 63.200 0.038 0.000 1.016 495 S HN 0.737 nan 8.310 nan 0.000 0.579 496 K N 0.076 120.508 120.400 0.054 0.000 5.135 496 K HA -0.130 4.216 4.320 0.043 0.000 0.556 496 K C 0.140 176.780 176.600 0.066 0.000 1.469 496 K CA 0.999 57.318 56.287 0.053 0.000 1.255 496 K CB -0.973 31.552 32.500 0.042 0.000 1.862 496 K HN 0.461 nan 8.250 nan 0.000 0.289 497 S N 2.292 118.039 115.700 0.077 0.000 3.313 497 S HA 0.259 4.755 4.470 0.043 0.000 0.247 497 S C -2.030 172.620 174.600 0.083 0.000 1.058 497 S CA 0.211 58.470 58.200 0.099 0.000 0.794 497 S CB 0.016 63.301 63.200 0.141 0.000 0.842 497 S HN 0.730 nan 8.310 nan 0.000 0.526 498 P HA 0.258 nan 4.420 nan 0.000 0.286 498 P C -0.779 176.586 177.300 0.107 0.000 1.293 498 P CA -0.185 62.959 63.100 0.074 0.000 0.770 498 P CB 0.261 31.992 31.700 0.051 0.000 1.206 499 Q N -1.170 118.703 119.800 0.122 0.000 2.306 499 Q HA 0.105 4.471 4.340 0.043 0.000 0.241 499 Q C -0.498 175.647 176.000 0.242 0.000 0.948 499 Q CA 0.026 55.935 55.803 0.177 0.000 0.886 499 Q CB 0.574 29.408 28.738 0.159 0.000 1.227 499 Q HN 0.530 nan 8.270 nan 0.000 0.457 500 W N 5.108 126.443 121.300 0.058 0.000 2.433 500 W HA 0.290 4.977 4.660 0.045 0.000 0.331 500 W C -2.485 174.158 176.519 0.206 0.000 1.110 500 W CA -2.547 54.841 57.345 0.071 0.000 1.450 500 W CB 0.046 29.475 29.460 -0.052 0.000 1.348 500 W HN 0.381 nan 8.180 nan 0.000 0.415 501 P HA 0.232 nan 4.420 nan 0.000 0.277 501 P C -2.576 174.945 177.300 0.369 0.000 1.240 501 P CA -1.617 61.712 63.100 0.382 0.000 0.798 501 P CB 0.322 32.160 31.700 0.229 0.000 0.979 502 P HA 0.045 nan 4.420 nan 0.000 0.271 502 P C -0.593 176.687 177.300 -0.033 0.000 1.226 502 P CA 0.030 62.951 63.100 -0.298 0.000 0.765 502 P CB -0.091 31.414 31.700 -0.325 0.000 0.835 503 Y N 4.201 124.451 120.300 -0.082 0.000 2.712 503 Y HA 0.217 4.793 4.550 0.042 0.000 0.333 503 Y C 0.556 176.443 175.900 -0.021 0.000 1.225 503 Y CA 1.071 59.185 58.100 0.023 0.000 1.499 503 Y CB 0.227 38.726 38.460 0.066 0.000 1.288 503 Y HN 0.439 nan 8.280 nan 0.000 0.575 504 T N 0.342 114.599 114.554 -0.495 0.000 2.883 504 T HA 0.275 4.651 4.350 0.043 0.000 0.301 504 T C 0.718 175.140 174.700 -0.463 0.000 1.158 504 T CA -0.266 61.647 62.100 -0.311 0.000 1.007 504 T CB 1.253 70.019 68.868 -0.170 0.000 1.186 504 T HN 0.619 nan 8.240 nan 0.000 0.499 505 T N -0.290 114.147 114.554 -0.196 0.000 2.857 505 T HA 0.060 4.436 4.350 0.043 0.000 0.266 505 T C 2.317 176.946 174.700 -0.119 0.000 1.048 505 T CA 0.924 62.949 62.100 -0.125 0.000 1.139 505 T CB -0.844 68.019 68.868 -0.009 0.000 0.874 505 T HN 0.896 nan 8.240 nan 0.000 0.455 506 A N 2.276 125.038 122.820 -0.097 0.000 1.834 506 A HA 0.267 4.612 4.320 0.043 0.000 0.216 506 A C 2.724 180.261 177.584 -0.078 0.000 1.203 506 A CA 2.105 54.103 52.037 -0.065 0.000 0.621 506 A CB -1.379 17.594 19.000 -0.045 0.000 0.841 506 A HN 0.729 nan 8.150 nan 0.000 0.446 507 A N -2.114 120.640 122.820 -0.110 0.000 2.147 507 A HA 0.245 4.591 4.320 0.043 0.000 0.211 507 A C 0.906 178.418 177.584 -0.120 0.000 1.160 507 A CA 0.866 52.851 52.037 -0.086 0.000 0.781 507 A CB -0.361 18.605 19.000 -0.056 0.000 0.842 507 A HN 0.643 nan 8.150 nan 0.000 0.475 508 Q N 0.011 119.624 119.800 -0.313 0.000 2.435 508 Q HA -0.233 4.133 4.340 0.043 0.000 0.312 508 Q C -0.827 175.193 176.000 0.033 0.000 1.333 508 Q CA 0.812 56.357 55.803 -0.430 0.000 0.883 508 Q CB -1.914 26.778 28.738 -0.076 0.000 1.170 508 Q HN 0.865 nan 8.270 nan 0.000 0.443 509 Q N 0.478 120.297 119.800 0.032 0.000 2.259 509 Q HA 0.600 4.966 4.340 0.043 0.000 0.249 509 Q C -0.321 175.944 176.000 0.442 0.000 0.914 509 Q CA -0.310 55.601 55.803 0.180 0.000 0.904 509 Q CB 0.757 29.544 28.738 0.082 0.000 1.213 509 Q HN 0.373 nan 8.270 nan 0.000 0.428 510 Y N -2.195 118.254 120.300 0.248 0.000 2.609 510 Y HA 0.658 5.233 4.550 0.042 0.000 0.336 510 Y C -1.180 174.753 175.900 0.056 0.000 1.129 510 Y CA -1.555 56.697 58.100 0.253 0.000 1.040 510 Y CB 0.615 39.222 38.460 0.245 0.000 1.310 510 Y HN 0.423 nan 8.280 nan 0.000 0.460 511 V N -0.035 119.821 119.914 -0.096 0.000 2.732 511 V HA 0.833 4.979 4.120 0.043 0.000 0.310 511 V C -0.114 175.921 176.094 -0.098 0.000 1.053 511 V CA -0.488 61.607 62.300 -0.342 0.000 0.957 511 V CB 1.297 32.642 31.823 -0.796 0.000 1.018 511 V HN 1.159 nan 8.190 nan 0.000 0.452 512 S N 4.020 119.663 115.700 -0.095 0.000 2.523 512 S HA 0.649 5.145 4.470 0.043 0.000 0.275 512 S C -0.388 174.192 174.600 -0.033 0.000 1.281 512 S CA -0.659 57.552 58.200 0.018 0.000 1.050 512 S CB 0.496 63.698 63.200 0.003 0.000 0.937 512 S HN 0.744 nan 8.310 nan 0.000 0.492 513 L N 4.821 126.074 121.223 0.050 0.000 2.264 513 L HA 0.481 4.847 4.340 0.043 0.000 0.287 513 L C 0.611 177.446 176.870 -0.057 0.000 1.039 513 L CA -0.323 54.574 54.840 0.096 0.000 0.829 513 L CB -0.333 41.877 42.059 0.251 0.000 1.211 513 L HN 0.933 nan 8.230 nan 0.000 0.427 514 N N 2.469 121.087 118.700 -0.135 0.000 3.522 514 N HA 0.342 5.108 4.740 0.043 0.000 0.328 514 N C 0.344 175.406 175.510 -0.746 0.000 1.623 514 N CA -0.926 51.788 53.050 -0.561 0.000 0.812 514 N CB 1.256 39.546 38.487 -0.327 0.000 2.008 514 N HN 0.175 nan 8.380 nan 0.000 0.601 515 L N -0.202 120.618 121.223 -0.672 0.000 2.341 515 L HA 0.137 4.503 4.340 0.043 0.000 0.214 515 L C 0.739 177.469 176.870 -0.233 0.000 1.115 515 L CA 0.750 55.260 54.840 -0.550 0.000 0.820 515 L CB -0.375 41.424 42.059 -0.435 0.000 0.944 515 L HN 0.370 nan 8.230 nan 0.000 0.452 516 K N 0.231 120.530 120.400 -0.170 0.000 2.120 516 K HA 0.227 4.573 4.320 0.043 0.000 0.245 516 K C -2.204 174.373 176.600 -0.039 0.000 1.024 516 K CA -1.737 54.501 56.287 -0.082 0.000 0.906 516 K CB -0.051 32.407 32.500 -0.069 0.000 1.051 516 K HN -0.208 nan 8.250 nan 0.000 0.491 517 P HA 0.002 nan 4.420 nan 0.000 0.272 517 P C -0.379 176.927 177.300 0.011 0.000 1.223 517 P CA -0.251 62.865 63.100 0.027 0.000 0.784 517 P CB 0.387 32.103 31.700 0.027 0.000 0.923 518 L N 1.446 122.688 121.223 0.031 0.000 2.769 518 L HA -0.142 4.224 4.340 0.043 0.000 0.293 518 L C 1.099 177.934 176.870 -0.058 0.000 1.224 518 L CA 1.098 55.913 54.840 -0.042 0.000 0.906 518 L CB -0.266 41.768 42.059 -0.041 0.000 1.193 518 L HN 0.544 nan 8.230 nan 0.000 0.488 519 E N 3.519 123.659 120.200 -0.099 0.000 2.234 519 E HA 0.416 4.792 4.350 0.043 0.000 0.266 519 E C -1.395 175.113 176.600 -0.152 0.000 0.877 519 E CA -0.826 55.518 56.400 -0.093 0.000 0.758 519 E CB 2.048 31.705 29.700 -0.072 0.000 1.170 519 E HN 0.295 nan 8.360 nan 0.000 0.415 520 V N 4.777 124.612 119.914 -0.131 0.000 2.461 520 V HA 0.400 4.546 4.120 0.043 0.000 0.275 520 V C 0.340 176.294 176.094 -0.232 0.000 1.047 520 V CA -0.248 61.946 62.300 -0.176 0.000 0.955 520 V CB 0.882 32.656 31.823 -0.081 0.000 0.988 520 V HN 0.673 nan 8.190 nan 0.000 0.471 521 R N 3.817 124.045 120.500 -0.454 0.000 2.892 521 R HA 0.732 5.098 4.340 0.043 0.000 0.265 521 R C -0.801 175.273 176.300 -0.376 0.000 1.025 521 R CA -1.024 54.803 56.100 -0.454 0.000 0.982 521 R CB 2.355 32.284 30.300 -0.619 0.000 1.185 521 R HN 0.600 nan 8.270 nan 0.000 0.484 522 R N 0.200 120.654 120.500 -0.076 0.000 2.480 522 R HA 0.504 4.870 4.340 0.043 0.000 0.306 522 R C -0.747 175.712 176.300 0.265 0.000 0.958 522 R CA -0.537 55.619 56.100 0.094 0.000 0.861 522 R CB 2.122 32.451 30.300 0.049 0.000 1.171 522 R HN 0.902 nan 8.270 nan 0.000 0.445 523 G N 2.341 111.390 108.800 0.414 0.000 3.409 523 G HA2 -0.175 3.811 3.960 0.043 0.000 0.686 523 G HA3 -0.175 3.811 3.960 0.043 0.000 0.686 523 G C -1.297 173.827 174.900 0.373 0.000 1.017 523 G CA -1.031 44.278 45.100 0.348 0.000 0.854 523 G HN 0.348 nan 8.290 nan 0.000 0.508 524 L N 4.318 125.648 121.223 0.180 0.000 2.328 524 L HA 0.489 4.855 4.340 0.043 0.000 0.280 524 L C 1.621 178.516 176.870 0.042 0.000 1.111 524 L CA -0.374 54.414 54.840 -0.087 0.000 0.909 524 L CB -0.340 41.587 42.059 -0.221 0.000 1.277 524 L HN 0.714 nan 8.230 nan 0.000 0.433 525 R N 2.623 123.180 120.500 0.097 0.000 3.038 525 R HA -0.282 4.084 4.340 0.043 0.000 0.242 525 R C 1.200 177.599 176.300 0.166 0.000 0.866 525 R CA 0.594 56.782 56.100 0.147 0.000 0.601 525 R CB -1.725 28.675 30.300 0.166 0.000 1.107 525 R HN 0.688 nan 8.270 nan 0.000 0.492 526 A N 0.908 123.824 122.820 0.160 0.000 1.929 526 A HA -0.178 4.168 4.320 0.043 0.000 0.216 526 A C 2.055 179.735 177.584 0.159 0.000 1.176 526 A CA 0.870 53.001 52.037 0.157 0.000 0.628 526 A CB -0.004 19.084 19.000 0.147 0.000 0.816 526 A HN 0.432 nan 8.150 nan 0.000 0.444 527 Q N -0.398 119.494 119.800 0.153 0.000 2.020 527 Q HA -0.118 4.248 4.340 0.043 0.000 0.202 527 Q C 2.203 178.327 176.000 0.206 0.000 0.982 527 Q CA 2.136 58.032 55.803 0.155 0.000 0.838 527 Q CB -1.233 27.583 28.738 0.129 0.000 0.899 527 Q HN 0.606 nan 8.270 nan 0.000 0.423 528 T N 0.552 115.254 114.554 0.247 0.000 2.833 528 T HA -0.122 4.254 4.350 0.043 0.000 0.269 528 T C 1.996 176.931 174.700 0.393 0.000 1.054 528 T CA 1.129 63.418 62.100 0.314 0.000 1.135 528 T CB -0.220 68.865 68.868 0.362 0.000 0.869 528 T HN 0.311 nan 8.240 nan 0.000 0.466 529 c N 1.274 120.076 118.600 0.337 0.000 2.464 529 c HA 0.314 4.910 4.570 0.043 0.000 0.278 529 c C 3.123 177.376 174.090 0.272 0.000 1.375 529 c CA -0.075 56.461 56.329 0.345 0.000 1.761 529 c CB -1.271 41.371 42.510 0.219 0.000 1.944 529 c HN 0.642 nan 8.230 nan 0.000 0.509 530 A N 0.380 123.330 122.820 0.216 0.000 1.940 530 A HA -0.220 4.126 4.320 0.043 0.000 0.219 530 A C 1.859 179.555 177.584 0.187 0.000 1.176 530 A CA 1.776 53.919 52.037 0.176 0.000 0.631 530 A CB -0.787 18.304 19.000 0.152 0.000 0.814 530 A HN 0.561 nan 8.150 nan 0.000 0.446 531 F N -0.760 119.197 119.950 0.012 0.000 2.075 531 F HA -0.165 4.389 4.527 0.046 0.000 0.297 531 F C 1.964 177.731 175.800 -0.056 0.000 1.113 531 F CA 1.648 59.579 58.000 -0.115 0.000 1.218 531 F CB -0.760 37.936 39.000 -0.507 0.000 0.984 531 F HN 0.375 nan 8.300 nan 0.000 0.472 532 W N 0.778 121.959 121.300 -0.197 0.000 2.379 532 W HA -0.172 4.513 4.660 0.041 0.000 0.307 532 W C 2.262 178.688 176.519 -0.155 0.000 1.200 532 W CA 1.193 58.386 57.345 -0.254 0.000 1.297 532 W CB -0.653 28.801 29.460 -0.010 0.000 1.140 532 W HN -0.001 nan 8.180 nan 0.000 0.507 533 N N -0.459 118.352 118.700 0.184 0.000 2.376 533 N HA 0.011 4.777 4.740 0.043 0.000 0.177 533 N C 1.518 177.058 175.510 0.050 0.000 1.024 533 N CA 1.023 54.134 53.050 0.102 0.000 0.893 533 N CB -0.266 38.281 38.487 0.100 0.000 0.980 533 N HN 0.256 nan 8.380 nan 0.000 0.439 534 R N -1.244 119.289 120.500 0.055 0.000 2.144 534 R HA 0.225 4.591 4.340 0.043 0.000 0.195 534 R C 1.532 177.861 176.300 0.048 0.000 1.077 534 R CA 0.003 56.138 56.100 0.059 0.000 1.120 534 R CB -0.331 30.030 30.300 0.103 0.000 1.060 534 R HN 0.044 nan 8.270 nan 0.000 0.520 535 F N 1.707 121.600 119.950 -0.095 0.000 2.118 535 F HA -0.001 4.552 4.527 0.044 0.000 0.293 535 F C 1.990 177.671 175.800 -0.199 0.000 1.102 535 F CA 0.823 58.765 58.000 -0.097 0.000 1.247 535 F CB -0.381 38.623 39.000 0.005 0.000 1.017 535 F HN -0.132 nan 8.300 nan 0.000 0.475 536 L N 1.108 122.047 121.223 -0.474 0.000 2.034 536 L HA -0.209 4.157 4.340 0.043 0.000 0.217 536 L C -0.884 175.750 176.870 -0.395 0.000 1.077 536 L CA 2.343 56.836 54.840 -0.579 0.000 0.769 536 L CB -1.614 40.047 42.059 -0.662 0.000 0.890 536 L HN 0.066 nan 8.230 nan 0.000 0.435 537 P HA -0.148 nan 4.420 nan 0.000 0.218 537 P C 1.242 178.414 177.300 -0.212 0.000 1.149 537 P CA 1.485 64.479 63.100 -0.177 0.000 0.817 537 P CB 0.005 31.642 31.700 -0.105 0.000 0.785 538 K N -0.900 119.326 120.400 -0.291 0.000 2.148 538 K HA -0.077 4.269 4.320 0.043 0.000 0.204 538 K C 1.876 178.269 176.600 -0.344 0.000 1.050 538 K CA 0.727 56.848 56.287 -0.276 0.000 0.942 538 K CB -0.774 31.566 32.500 -0.266 0.000 0.724 538 K HN 0.037 nan 8.250 nan 0.000 0.446 539 L N 1.131 122.027 121.223 -0.545 0.000 2.131 539 L HA -0.127 4.239 4.340 0.043 0.000 0.210 539 L C 1.623 178.357 176.870 -0.226 0.000 1.092 539 L CA 1.659 56.224 54.840 -0.458 0.000 0.759 539 L CB -0.143 41.596 42.059 -0.534 0.000 0.903 539 L HN 0.136 nan 8.230 nan 0.000 0.435 540 L N -1.438 119.668 121.223 -0.195 0.000 2.253 540 L HA 0.067 4.433 4.340 0.043 0.000 0.205 540 L C 1.784 178.599 176.870 -0.093 0.000 1.078 540 L CA 0.735 55.505 54.840 -0.116 0.000 0.805 540 L CB -0.496 41.504 42.059 -0.097 0.000 0.963 540 L HN 0.314 nan 8.230 nan 0.000 0.459 541 S N 0.654 116.292 115.700 -0.103 0.000 3.188 541 S HA 0.336 4.831 4.470 0.043 0.000 0.257 541 S C 0.627 175.185 174.600 -0.070 0.000 1.163 541 S CA 0.275 58.429 58.200 -0.077 0.000 1.259 541 S CB -0.417 62.738 63.200 -0.074 0.000 0.995 541 S HN 0.334 nan 8.310 nan 0.000 0.474 542 A N -0.081 122.699 122.820 -0.068 0.000 2.307 542 A HA 0.395 4.741 4.320 0.043 0.000 0.227 542 A C 0.425 177.981 177.584 -0.047 0.000 2.319 542 A CA -0.346 51.660 52.037 -0.052 0.000 1.868 542 A CB -1.313 17.653 19.000 -0.056 0.000 0.663 542 A HN 0.483 nan 8.150 nan 0.000 0.871 543 T N 0.000 114.528 114.554 -0.043 0.000 3.816 543 T HA 0.000 4.376 4.350 0.043 0.000 0.228 543 T CA 0.000 62.077 62.100 -0.039 0.000 1.349 543 T CB 0.000 68.852 68.868 -0.026 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658