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 2va2_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMIVLFVDFD YFYAQVEEVL NPSLKGKPVV VCVFSGRFED SGAVATANYE DATA SEQUENCE ARKFGVKAGI PIVEAKKILP NAVYLPMRKE VYQQVSSRIM NLLREYSEKI DATA SEQUENCE EIASIDEAYL DISDKVRDYR EAYNLGLEIK NKILEKEKIT VTVGISKNKV DATA SEQUENCE FAKIAADMAK PNGIKVIDDE EVKRLIRELD IADVPGIGNI TAEKLKKLGI DATA SEQUENCE NKLVDTLSIE FDKLKGMIGE AKAKYLISLA RDEYNEPIRT RVRKSIGRIV DATA SEQUENCE TMKRNSRNLE EIKPYLFRAI EESYYKLDKR IPKAIHVVAV TEDLDIVSRG DATA SEQUENCE RTFPHGISKE TAYSESVKLL QKILEEDERK IRRIGVRFSK FIEA 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.318 175.328 -0.017 0.000 0.993 0 H CA 0.000 56.042 56.048 -0.010 0.000 1.023 0 H CB 0.000 29.766 29.762 0.007 0.000 1.292 1 M N 0.910 120.694 119.600 0.308 0.000 2.478 1 M HA 0.672 5.151 4.480 -0.001 0.000 0.327 1 M C -0.706 175.711 176.300 0.194 0.000 1.187 1 M CA -1.139 54.272 55.300 0.184 0.000 1.022 1 M CB 2.134 34.790 32.600 0.093 0.000 1.629 1 M HN 0.631 nan 8.290 nan 0.000 0.461 2 I N 1.367 122.017 120.570 0.134 0.000 2.389 2 I HA 0.689 4.858 4.170 -0.001 0.000 0.288 2 I C -1.478 174.732 176.117 0.155 0.000 0.999 2 I CA -0.569 60.814 61.300 0.138 0.000 1.129 2 I CB 1.738 39.752 38.000 0.024 0.000 1.288 2 I HN 0.592 nan 8.210 nan 0.000 0.444 3 V N 7.272 127.306 119.914 0.199 0.000 2.612 3 V HA 0.487 4.607 4.120 -0.001 0.000 0.301 3 V C -0.241 175.993 176.094 0.233 0.000 1.046 3 V CA -0.677 61.753 62.300 0.217 0.000 0.946 3 V CB 1.633 33.608 31.823 0.253 0.000 1.003 3 V HN 0.782 nan 8.190 nan 0.000 0.459 4 L N 4.622 125.973 121.223 0.212 0.000 2.372 4 L HA 0.572 4.911 4.340 -0.001 0.000 0.273 4 L C -1.285 175.684 176.870 0.166 0.000 0.989 4 L CA -0.442 54.498 54.840 0.168 0.000 0.841 4 L CB 1.148 43.264 42.059 0.096 0.000 1.225 4 L HN 0.638 nan 8.230 nan 0.000 0.414 5 F N 5.637 125.576 119.950 -0.018 0.000 2.408 5 F HA 0.629 5.156 4.527 -0.001 0.000 0.344 5 F C -0.776 174.917 175.800 -0.178 0.000 1.112 5 F CA -0.379 57.518 58.000 -0.172 0.000 1.096 5 F CB 1.421 40.292 39.000 -0.216 0.000 1.129 5 F HN 0.098 nan 8.300 nan 0.000 0.486 6 V N 5.469 124.783 119.914 -1.000 0.000 2.513 6 V HA 0.372 4.492 4.120 -0.001 0.000 0.299 6 V C -1.044 174.307 176.094 -1.239 0.000 1.035 6 V CA -0.710 61.124 62.300 -0.777 0.000 0.889 6 V CB 1.745 33.330 31.823 -0.397 0.000 0.988 6 V HN 0.706 nan 8.190 nan 0.000 0.440 7 D N 3.595 123.568 120.400 -0.713 0.000 2.479 7 D HA 0.298 4.938 4.640 -0.001 0.000 0.246 7 D C -1.034 175.149 176.300 -0.196 0.000 1.336 7 D CA -0.374 53.272 54.000 -0.590 0.000 0.967 7 D CB 1.139 41.761 40.800 -0.298 0.000 1.275 7 D HN 0.158 nan 8.370 nan 0.000 0.577 8 F N 1.865 121.617 119.950 -0.330 0.000 2.538 8 F HA 0.164 4.691 4.527 -0.001 0.000 0.371 8 F C 1.332 177.024 175.800 -0.179 0.000 1.087 8 F CA -0.668 57.173 58.000 -0.265 0.000 1.250 8 F CB 0.117 38.890 39.000 -0.379 0.000 1.110 8 F HN 0.128 nan 8.300 nan 0.000 0.570 9 D N 3.820 124.201 120.400 -0.032 0.000 2.417 9 D HA -0.030 4.610 4.640 -0.001 0.000 0.250 9 D C 0.494 176.540 176.300 -0.423 0.000 1.166 9 D CA 0.055 53.947 54.000 -0.180 0.000 0.881 9 D CB 0.189 40.806 40.800 -0.305 0.000 1.164 9 D HN 0.636 nan 8.370 nan 0.000 0.467 10 Y N 0.504 120.895 120.300 0.152 0.000 2.952 10 Y HA -0.344 4.206 4.550 -0.000 0.000 0.219 10 Y C 0.778 176.716 175.900 0.063 0.000 1.085 10 Y CA -0.391 57.744 58.100 0.058 0.000 0.872 10 Y CB -2.475 36.015 38.460 0.050 0.000 1.114 10 Y HN 0.299 nan 8.280 nan 0.000 0.482 11 F N 1.372 121.246 119.950 -0.126 0.000 2.037 11 F HA -0.377 4.150 4.527 -0.000 0.000 0.296 11 F C 2.226 178.007 175.800 -0.031 0.000 1.132 11 F CA 2.322 60.277 58.000 -0.075 0.000 1.211 11 F CB -0.917 38.084 39.000 0.002 0.000 0.951 11 F HN 0.365 nan 8.300 nan 0.000 0.503 12 Y N 0.256 120.302 120.300 -0.424 0.000 2.102 12 Y HA -0.245 4.304 4.550 -0.001 0.000 0.280 12 Y C 2.696 178.273 175.900 -0.539 0.000 1.178 12 Y CA 0.948 58.473 58.100 -0.957 0.000 1.146 12 Y CB -1.937 36.045 38.460 -0.798 0.000 0.968 12 Y HN 0.194 nan 8.280 nan 0.000 0.504 13 A N -0.368 122.455 122.820 0.005 0.000 1.902 13 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 13 A C 2.320 180.004 177.584 0.166 0.000 1.181 13 A CA 1.801 53.899 52.037 0.102 0.000 0.623 13 A CB -0.859 18.229 19.000 0.146 0.000 0.818 13 A HN 0.535 nan 8.150 nan 0.000 0.443 14 Q N -0.389 119.559 119.800 0.245 0.000 2.050 14 Q HA -0.121 4.219 4.340 -0.001 0.000 0.202 14 Q C 1.984 177.985 176.000 0.002 0.000 0.980 14 Q CA 1.789 57.688 55.803 0.160 0.000 0.840 14 Q CB -0.204 28.470 28.738 -0.107 0.000 0.898 14 Q HN 0.424 nan 8.270 nan 0.000 0.424 15 V N 0.977 120.795 119.914 -0.160 0.000 2.546 15 V HA -0.256 3.864 4.120 -0.001 0.000 0.254 15 V C 1.948 178.039 176.094 -0.004 0.000 1.076 15 V CA 2.036 64.248 62.300 -0.147 0.000 1.087 15 V CB -0.476 31.166 31.823 -0.301 0.000 0.674 15 V HN 0.338 nan 8.190 nan 0.000 0.470 16 E N 0.331 120.545 120.200 0.025 0.000 2.076 16 E HA -0.124 4.226 4.350 -0.001 0.000 0.190 16 E C 2.174 178.808 176.600 0.057 0.000 0.979 16 E CA 0.872 57.314 56.400 0.070 0.000 0.807 16 E CB -0.166 29.585 29.700 0.084 0.000 0.761 16 E HN 0.665 nan 8.360 nan 0.000 0.454 17 E N -0.373 119.867 120.200 0.067 0.000 2.401 17 E HA -0.129 4.221 4.350 -0.001 0.000 0.199 17 E C 1.660 178.292 176.600 0.052 0.000 1.023 17 E CA 0.691 57.132 56.400 0.068 0.000 0.859 17 E CB 0.237 30.003 29.700 0.108 0.000 0.780 17 E HN 0.144 nan 8.360 nan 0.000 0.523 18 V N 0.382 120.320 119.914 0.041 0.000 2.436 18 V HA -0.135 3.984 4.120 -0.001 0.000 0.240 18 V C 1.913 178.023 176.094 0.026 0.000 1.040 18 V CA 0.662 62.979 62.300 0.028 0.000 1.052 18 V CB -0.167 31.666 31.823 0.016 0.000 0.707 18 V HN 0.162 nan 8.190 nan 0.000 0.469 19 L N 0.742 121.983 121.223 0.029 0.000 2.261 19 L HA -0.043 4.297 4.340 -0.001 0.000 0.216 19 L C 0.983 177.868 176.870 0.025 0.000 1.114 19 L CA 1.626 56.482 54.840 0.026 0.000 0.777 19 L CB -0.844 41.232 42.059 0.030 0.000 0.910 19 L HN 0.484 nan 8.230 nan 0.000 0.440 20 N N -0.924 117.794 118.700 0.030 0.000 2.707 20 N HA 0.187 4.927 4.740 -0.001 0.000 0.249 20 N C -1.921 173.607 175.510 0.030 0.000 1.299 20 N CA -1.213 51.854 53.050 0.028 0.000 0.769 20 N CB 1.087 39.593 38.487 0.031 0.000 1.236 20 N HN -0.220 nan 8.380 nan 0.000 0.524 21 P HA -0.237 nan 4.420 nan 0.000 0.219 21 P C 1.224 178.540 177.300 0.027 0.000 1.144 21 P CA 0.894 64.010 63.100 0.027 0.000 0.806 21 P CB 0.442 32.155 31.700 0.022 0.000 0.771 22 S N 0.621 116.336 115.700 0.025 0.000 2.365 22 S HA -0.181 4.289 4.470 -0.001 0.000 0.221 22 S C 2.067 176.682 174.600 0.025 0.000 1.037 22 S CA 1.573 59.787 58.200 0.024 0.000 1.060 22 S CB -1.238 61.975 63.200 0.022 0.000 0.974 22 S HN 0.084 nan 8.310 nan 0.000 0.427 23 L N 0.841 122.081 121.223 0.027 0.000 2.302 23 L HA -0.145 4.195 4.340 -0.001 0.000 0.218 23 L C 1.054 177.938 176.870 0.024 0.000 1.100 23 L CA 0.818 55.673 54.840 0.025 0.000 0.774 23 L CB -1.031 41.045 42.059 0.028 0.000 0.896 23 L HN 0.204 nan 8.230 nan 0.000 0.439 24 K N 1.220 121.639 120.400 0.031 0.000 2.477 24 K HA 0.008 4.327 4.320 -0.001 0.000 0.275 24 K C 1.151 177.767 176.600 0.027 0.000 1.054 24 K CA 1.126 57.433 56.287 0.034 0.000 1.135 24 K CB 0.051 32.572 32.500 0.035 0.000 0.854 24 K HN 0.390 nan 8.250 nan 0.000 0.484 25 G N 3.204 112.018 108.800 0.025 0.000 2.659 25 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.212 25 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.212 25 G C -0.046 174.869 174.900 0.024 0.000 1.226 25 G CA 0.319 45.434 45.100 0.024 0.000 0.739 25 G HN 0.631 nan 8.290 nan 0.000 0.528 26 K N 2.807 123.220 120.400 0.020 0.000 2.258 26 K HA 0.494 4.813 4.320 -0.001 0.000 0.264 26 K C -2.537 174.064 176.600 0.000 0.000 1.007 26 K CA -0.994 55.305 56.287 0.021 0.000 0.941 26 K CB 1.341 33.850 32.500 0.016 0.000 0.966 26 K HN 0.288 nan 8.250 nan 0.000 0.480 27 P HA -0.003 nan 4.420 nan 0.000 0.267 27 P C -0.757 176.483 177.300 -0.100 0.000 1.205 27 P CA -0.266 62.817 63.100 -0.028 0.000 0.765 27 P CB 0.870 32.592 31.700 0.036 0.000 0.828 28 V N 4.707 124.538 119.914 -0.140 0.000 2.588 28 V HA 0.324 4.444 4.120 -0.001 0.000 0.304 28 V C 0.160 176.134 176.094 -0.200 0.000 1.042 28 V CA -0.736 61.471 62.300 -0.155 0.000 0.877 28 V CB 2.372 34.145 31.823 -0.082 0.000 0.996 28 V HN 0.260 nan 8.190 nan 0.000 0.425 29 V N 5.250 124.998 119.914 -0.276 0.000 2.407 29 V HA 0.413 4.533 4.120 -0.001 0.000 0.291 29 V C -0.212 175.834 176.094 -0.080 0.000 1.018 29 V CA -0.607 61.548 62.300 -0.241 0.000 0.842 29 V CB 2.016 33.569 31.823 -0.450 0.000 0.996 29 V HN 0.640 nan 8.190 nan 0.000 0.426 30 V N 4.780 124.694 119.914 0.001 0.000 2.432 30 V HA 0.486 4.606 4.120 -0.001 0.000 0.275 30 V C 0.219 176.354 176.094 0.068 0.000 1.043 30 V CA -0.243 62.108 62.300 0.085 0.000 0.925 30 V CB 0.898 32.797 31.823 0.126 0.000 0.985 30 V HN 1.078 nan 8.190 nan 0.000 0.466 31 C N 3.437 122.766 119.300 0.048 0.000 3.154 31 C HA 0.797 5.256 4.460 -0.001 0.000 0.312 31 C C -0.228 174.683 174.990 -0.132 0.000 1.349 31 C CA -1.006 57.951 59.018 -0.102 0.000 1.518 31 C CB 1.418 28.981 27.740 -0.295 0.000 1.934 31 C HN 0.486 nan 8.230 nan 0.000 0.462 32 V N 1.547 121.349 119.914 -0.187 0.000 2.294 32 V HA 0.293 4.412 4.120 -0.001 0.000 0.272 32 V C -0.753 175.217 176.094 -0.206 0.000 1.027 32 V CA 0.103 62.346 62.300 -0.096 0.000 0.823 32 V CB -0.100 31.703 31.823 -0.032 0.000 1.030 32 V HN 0.686 nan 8.190 nan 0.000 0.457 33 F N 3.860 123.806 119.950 -0.007 0.000 2.468 33 F HA 0.118 4.644 4.527 -0.001 0.000 0.356 33 F C 1.967 177.725 175.800 -0.070 0.000 1.167 33 F CA 0.256 58.228 58.000 -0.047 0.000 1.135 33 F CB 0.980 39.959 39.000 -0.035 0.000 1.197 33 F HN 0.657 nan 8.300 nan 0.000 0.569 34 S N 2.016 117.703 115.700 -0.022 0.000 2.400 34 S HA -0.085 4.385 4.470 -0.001 0.000 0.232 34 S C 1.996 176.577 174.600 -0.031 0.000 1.025 34 S CA 0.932 59.097 58.200 -0.059 0.000 0.993 34 S CB -0.648 62.462 63.200 -0.149 0.000 0.808 34 S HN 1.210 nan 8.310 nan 0.000 0.478 35 G N 1.249 110.027 108.800 -0.035 0.000 2.175 35 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.244 35 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.244 35 G C 0.870 175.750 174.900 -0.035 0.000 0.982 35 G CA 0.308 45.403 45.100 -0.008 0.000 0.641 35 G HN 0.548 nan 8.290 nan 0.000 0.527 36 R N -0.541 119.876 120.500 -0.139 0.000 2.235 36 R HA 0.340 4.680 4.340 -0.001 0.000 0.213 36 R C 0.492 176.872 176.300 0.133 0.000 1.059 36 R CA 1.463 57.538 56.100 -0.040 0.000 0.997 36 R CB -0.146 30.114 30.300 -0.067 0.000 0.884 36 R HN 1.047 nan 8.270 nan 0.000 0.462 37 F N -3.364 116.615 119.950 0.050 0.000 2.625 37 F HA 0.167 4.693 4.527 -0.001 0.000 0.311 37 F C 0.348 176.182 175.800 0.056 0.000 0.999 37 F CA -1.474 56.551 58.000 0.041 0.000 1.056 37 F CB 0.454 39.470 39.000 0.026 0.000 1.311 37 F HN -0.222 nan 8.300 nan 0.000 0.548 38 E N 1.440 121.775 120.200 0.225 0.000 3.549 38 E HA -0.319 4.031 4.350 -0.001 0.000 0.447 38 E C 0.009 176.694 176.600 0.143 0.000 1.471 38 E CA 2.792 59.280 56.400 0.147 0.000 1.397 38 E CB -0.723 29.076 29.700 0.165 0.000 1.307 38 E HN 0.819 nan 8.360 nan 0.000 0.346 39 D N 0.494 121.017 120.400 0.204 0.000 3.133 39 D HA 0.219 4.859 4.640 -0.001 0.000 0.288 39 D C -0.738 175.600 176.300 0.062 0.000 1.346 39 D CA 0.512 54.662 54.000 0.250 0.000 0.934 39 D CB -0.190 40.713 40.800 0.172 0.000 1.042 39 D HN 0.261 nan 8.370 nan 0.000 0.506 40 S N -0.872 114.711 115.700 -0.195 0.000 2.617 40 S HA 0.876 5.345 4.470 -0.001 0.000 0.283 40 S C 0.619 175.024 174.600 -0.325 0.000 1.189 40 S CA -0.419 57.431 58.200 -0.584 0.000 1.036 40 S CB 2.726 64.988 63.200 -1.564 0.000 1.014 40 S HN 0.404 nan 8.310 nan 0.000 0.522 41 G N 0.127 108.759 108.800 -0.281 0.000 2.315 41 G HA2 0.523 4.483 3.960 -0.001 0.000 0.296 41 G HA3 0.523 4.483 3.960 -0.001 0.000 0.296 41 G C -0.834 173.961 174.900 -0.174 0.000 1.289 41 G CA -0.302 44.664 45.100 -0.224 0.000 0.996 41 G HN 1.552 nan 8.290 nan 0.000 0.487 42 A N -1.565 121.161 122.820 -0.157 0.000 2.387 42 A HA 0.911 5.231 4.320 -0.001 0.000 0.298 42 A C -0.588 176.934 177.584 -0.104 0.000 1.165 42 A CA -0.284 51.694 52.037 -0.098 0.000 0.814 42 A CB 1.762 20.730 19.000 -0.054 0.000 1.357 42 A HN 1.785 nan 8.150 nan 0.000 0.443 43 V N 1.209 121.094 119.914 -0.049 0.000 2.370 43 V HA 0.484 4.604 4.120 -0.001 0.000 0.279 43 V C 1.162 177.259 176.094 0.005 0.000 1.029 43 V CA 0.347 62.631 62.300 -0.026 0.000 0.870 43 V CB 0.583 32.403 31.823 -0.005 0.000 0.984 43 V HN 1.184 nan 8.190 nan 0.000 0.451 44 A N 4.708 127.554 122.820 0.042 0.000 1.823 44 A HA 0.187 4.507 4.320 -0.001 0.000 0.214 44 A C 1.050 178.680 177.584 0.078 0.000 1.225 44 A CA 1.147 53.256 52.037 0.119 0.000 0.604 44 A CB -0.082 19.068 19.000 0.250 0.000 0.878 44 A HN 0.662 nan 8.150 nan 0.000 0.450 45 T N -1.559 113.042 114.554 0.080 0.000 2.896 45 T HA 0.659 5.009 4.350 -0.001 0.000 0.297 45 T C -1.130 173.551 174.700 -0.032 0.000 1.108 45 T CA 0.290 62.387 62.100 -0.004 0.000 1.004 45 T CB 1.845 70.686 68.868 -0.045 0.000 1.159 45 T HN 0.977 nan 8.240 nan 0.000 0.499 46 A N 2.524 125.291 122.820 -0.090 0.000 2.427 46 A HA 0.712 5.031 4.320 -0.001 0.000 0.298 46 A C -0.175 177.249 177.584 -0.266 0.000 1.036 46 A CA -1.069 50.875 52.037 -0.156 0.000 0.701 46 A CB 0.875 19.777 19.000 -0.162 0.000 1.250 46 A HN 0.895 nan 8.150 nan 0.000 0.412 47 N N 0.637 119.118 118.700 -0.366 0.000 2.260 47 N HA 0.110 4.850 4.740 -0.001 0.000 0.230 47 N C 0.290 175.473 175.510 -0.546 0.000 1.323 47 N CA 0.309 52.894 53.050 -0.776 0.000 0.897 47 N CB -0.040 37.980 38.487 -0.779 0.000 1.146 47 N HN 0.546 nan 8.380 nan 0.000 0.460 48 Y N -1.181 118.791 120.300 -0.548 0.000 2.314 48 Y HA -0.045 4.504 4.550 -0.001 0.000 0.293 48 Y C 1.643 177.403 175.900 -0.233 0.000 1.129 48 Y CA 1.181 59.116 58.100 -0.275 0.000 1.201 48 Y CB -0.277 38.078 38.460 -0.176 0.000 0.999 48 Y HN 0.641 nan 8.280 nan 0.000 0.541 49 E N -0.157 119.995 120.200 -0.081 0.000 2.482 49 E HA 0.062 4.412 4.350 -0.001 0.000 0.200 49 E C 1.051 177.660 176.600 0.014 0.000 1.147 49 E CA 0.894 57.269 56.400 -0.041 0.000 0.912 49 E CB -0.106 29.587 29.700 -0.012 0.000 0.938 49 E HN 0.474 nan 8.360 nan 0.000 0.519 50 A N 0.420 123.204 122.820 -0.059 0.000 2.574 50 A HA 0.210 4.530 4.320 -0.001 0.000 0.170 50 A C 1.852 179.413 177.584 -0.039 0.000 1.617 50 A CA -0.182 51.878 52.037 0.038 0.000 1.189 50 A CB 0.247 19.212 19.000 -0.060 0.000 1.496 50 A HN 0.090 nan 8.150 nan 0.000 0.505 51 R N 1.073 121.458 120.500 -0.192 0.000 2.210 51 R HA 0.025 4.365 4.340 -0.001 0.000 0.203 51 R C 1.907 178.085 176.300 -0.203 0.000 1.010 51 R CA 1.207 57.167 56.100 -0.232 0.000 1.008 51 R CB -0.039 29.991 30.300 -0.450 0.000 0.923 51 R HN 0.606 nan 8.270 nan 0.000 0.469 52 K N -0.674 119.556 120.400 -0.284 0.000 2.211 52 K HA -0.089 4.231 4.320 -0.001 0.000 0.203 52 K C 0.861 177.245 176.600 -0.360 0.000 1.050 52 K CA 1.199 57.277 56.287 -0.349 0.000 0.945 52 K CB -0.087 32.116 32.500 -0.495 0.000 0.732 52 K HN 0.144 nan 8.250 nan 0.000 0.451 53 F N 1.095 121.029 119.950 -0.027 0.000 2.804 53 F HA 0.215 4.742 4.527 -0.001 0.000 0.303 53 F C 1.340 177.129 175.800 -0.019 0.000 1.154 53 F CA 0.389 58.379 58.000 -0.017 0.000 1.401 53 F CB 0.643 39.635 39.000 -0.015 0.000 1.106 53 F HN 0.372 nan 8.300 nan 0.000 0.568 54 G N -0.064 108.783 108.800 0.079 0.000 2.179 54 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.220 54 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.220 54 G C -0.050 174.868 174.900 0.030 0.000 0.990 54 G CA -0.182 44.945 45.100 0.046 0.000 0.646 54 G HN 0.075 nan 8.290 nan 0.000 0.517 55 V N 2.836 122.769 119.914 0.032 0.000 2.338 55 V HA 0.475 4.594 4.120 -0.001 0.000 0.255 55 V C 0.632 176.697 176.094 -0.048 0.000 1.082 55 V CA 0.568 62.873 62.300 0.009 0.000 0.951 55 V CB 0.467 32.303 31.823 0.022 0.000 1.102 55 V HN 0.607 nan 8.190 nan 0.000 0.489 56 K N 3.624 123.998 120.400 -0.043 0.000 2.328 56 K HA 0.894 5.214 4.320 -0.001 0.000 0.246 56 K C -0.092 176.481 176.600 -0.044 0.000 0.955 56 K CA -0.779 55.468 56.287 -0.067 0.000 0.817 56 K CB 2.068 34.527 32.500 -0.068 0.000 1.208 56 K HN 0.441 nan 8.250 nan 0.000 0.432 57 A N 0.899 123.689 122.820 -0.050 0.000 2.609 57 A HA 0.328 4.648 4.320 -0.001 0.000 0.232 57 A C 1.275 178.848 177.584 -0.019 0.000 1.041 57 A CA 1.290 53.310 52.037 -0.029 0.000 0.753 57 A CB -1.153 17.829 19.000 -0.030 0.000 0.966 57 A HN 1.356 nan 8.150 nan 0.000 0.510 58 G N 1.075 109.868 108.800 -0.011 0.000 2.376 58 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.208 58 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.208 58 G C 0.499 175.394 174.900 -0.009 0.000 1.032 58 G CA 0.142 45.236 45.100 -0.010 0.000 0.641 58 G HN 2.017 nan 8.290 nan 0.000 0.503 59 I N 0.782 121.348 120.570 -0.005 0.000 2.779 59 I HA 0.607 4.776 4.170 -0.001 0.000 0.285 59 I C -2.228 173.888 176.117 -0.002 0.000 1.134 59 I CA -1.963 59.338 61.300 0.002 0.000 1.398 59 I CB 0.669 38.676 38.000 0.012 0.000 1.404 59 I HN -0.028 nan 8.210 nan 0.000 0.587 60 P HA 0.151 nan 4.420 nan 0.000 0.268 60 P C 0.725 178.021 177.300 -0.007 0.000 1.205 60 P CA 0.050 63.146 63.100 -0.007 0.000 0.771 60 P CB 0.585 32.297 31.700 0.019 0.000 0.858 61 I N 1.811 122.349 120.570 -0.054 0.000 2.502 61 I HA -0.239 3.931 4.170 -0.001 0.000 0.258 61 I C 1.979 178.074 176.117 -0.037 0.000 1.172 61 I CA 1.189 62.452 61.300 -0.061 0.000 1.430 61 I CB -0.329 37.547 38.000 -0.207 0.000 1.086 61 I HN 0.222 nan 8.210 nan 0.000 0.440 62 V N 0.830 120.743 119.914 -0.002 0.000 2.255 62 V HA -0.243 3.877 4.120 -0.001 0.000 0.243 62 V C 2.381 178.488 176.094 0.021 0.000 1.038 62 V CA 1.883 64.195 62.300 0.020 0.000 1.008 62 V CB -0.533 31.338 31.823 0.080 0.000 0.645 62 V HN 0.418 nan 8.190 nan 0.000 0.449 63 E N 0.399 120.619 120.200 0.034 0.000 2.086 63 E HA -0.320 4.030 4.350 -0.001 0.000 0.200 63 E C 2.275 178.908 176.600 0.056 0.000 1.012 63 E CA 1.573 57.995 56.400 0.037 0.000 0.812 63 E CB -0.430 29.290 29.700 0.034 0.000 0.743 63 E HN 0.600 nan 8.360 nan 0.000 0.453 64 A N 1.848 124.719 122.820 0.086 0.000 1.892 64 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 64 A C 2.019 179.721 177.584 0.197 0.000 1.188 64 A CA 1.729 53.862 52.037 0.160 0.000 0.631 64 A CB -0.401 18.761 19.000 0.270 0.000 0.822 64 A HN 0.084 nan 8.150 nan 0.000 0.447 65 K N -0.090 120.376 120.400 0.110 0.000 2.147 65 K HA -0.111 4.208 4.320 -0.001 0.000 0.205 65 K C 1.131 177.753 176.600 0.037 0.000 1.049 65 K CA 1.368 57.676 56.287 0.033 0.000 0.936 65 K CB -0.179 32.220 32.500 -0.169 0.000 0.722 65 K HN 0.481 nan 8.250 nan 0.000 0.446 66 K N 0.593 121.009 120.400 0.027 0.000 2.668 66 K HA 0.062 4.382 4.320 -0.001 0.000 0.204 66 K C 1.163 177.775 176.600 0.020 0.000 1.016 66 K CA 0.427 56.724 56.287 0.016 0.000 1.131 66 K CB 0.102 32.610 32.500 0.013 0.000 0.891 66 K HN 0.203 nan 8.250 nan 0.000 0.499 67 I N -1.202 119.389 120.570 0.034 0.000 5.010 67 I HA 0.019 4.188 4.170 -0.001 0.000 0.329 67 I C 0.140 176.246 176.117 -0.019 0.000 1.229 67 I CA 0.051 61.360 61.300 0.015 0.000 1.399 67 I CB 0.921 38.950 38.000 0.049 0.000 1.459 67 I HN -0.023 nan 8.210 nan 0.000 0.500 68 L N 3.242 124.495 121.223 0.051 0.000 2.574 68 L HA 0.274 4.614 4.340 -0.001 0.000 0.258 68 L C -1.782 175.182 176.870 0.156 0.000 1.520 68 L CA -0.799 54.063 54.840 0.036 0.000 0.775 68 L CB 1.085 43.160 42.059 0.027 0.000 1.028 68 L HN -0.141 nan 8.230 nan 0.000 0.516 69 P HA -0.166 nan 4.420 nan 0.000 0.218 69 P C 0.762 178.141 177.300 0.132 0.000 1.146 69 P CA 1.405 64.563 63.100 0.098 0.000 0.813 69 P CB 0.445 32.162 31.700 0.027 0.000 0.778 70 N N -0.312 118.441 118.700 0.089 0.000 2.416 70 N HA 0.100 4.840 4.740 -0.001 0.000 0.177 70 N C 0.752 176.320 175.510 0.097 0.000 1.036 70 N CA 0.246 53.340 53.050 0.073 0.000 0.901 70 N CB -0.601 37.898 38.487 0.019 0.000 0.976 70 N HN 0.085 nan 8.380 nan 0.000 0.444 71 A N 0.232 123.113 122.820 0.100 0.000 2.555 71 A HA 0.114 4.434 4.320 -0.001 0.000 0.233 71 A C 0.093 177.684 177.584 0.011 0.000 1.060 71 A CA -0.102 51.932 52.037 -0.005 0.000 0.759 71 A CB 0.177 19.093 19.000 -0.139 0.000 0.995 71 A HN 0.026 nan 8.150 nan 0.000 0.506 72 V N 2.925 122.801 119.914 -0.064 0.000 2.470 72 V HA 0.147 4.266 4.120 -0.001 0.000 0.276 72 V C -0.700 175.342 176.094 -0.086 0.000 1.040 72 V CA 0.272 62.577 62.300 0.008 0.000 1.008 72 V CB -0.525 31.303 31.823 0.009 0.000 0.990 72 V HN 0.617 nan 8.190 nan 0.000 0.477 73 Y N 5.715 126.069 120.300 0.090 0.000 2.342 73 Y HA 0.642 5.191 4.550 -0.001 0.000 0.338 73 Y C 0.051 176.061 175.900 0.183 0.000 0.965 73 Y CA -0.453 57.730 58.100 0.138 0.000 1.159 73 Y CB 1.218 39.788 38.460 0.184 0.000 1.157 73 Y HN 0.473 nan 8.280 nan 0.000 0.486 74 L N 6.353 127.738 121.223 0.270 0.000 2.330 74 L HA 0.645 4.985 4.340 -0.001 0.000 0.271 74 L C -2.378 174.697 176.870 0.343 0.000 1.013 74 L CA -2.244 52.747 54.840 0.251 0.000 0.816 74 L CB 2.249 44.403 42.059 0.157 0.000 1.287 74 L HN 0.380 nan 8.230 nan 0.000 0.435 75 P HA 0.140 nan 4.420 nan 0.000 0.292 75 P C -0.841 176.585 177.300 0.211 0.000 1.287 75 P CA -0.610 62.694 63.100 0.340 0.000 0.800 75 P CB 1.289 33.112 31.700 0.205 0.000 0.945 76 M N 4.670 124.388 119.600 0.196 0.000 2.269 76 M HA 0.029 4.509 4.480 -0.001 0.000 0.350 76 M C 0.247 176.528 176.300 -0.032 0.000 1.429 76 M CA 0.636 56.038 55.300 0.171 0.000 1.063 76 M CB 0.017 32.700 32.600 0.138 0.000 1.841 76 M HN 0.227 nan 8.290 nan 0.000 0.455 77 R N 4.145 124.447 120.500 -0.330 0.000 3.050 77 R HA 0.107 4.447 4.340 -0.001 0.000 0.275 77 R C 0.616 176.244 176.300 -1.120 0.000 1.373 77 R CA -0.473 55.268 56.100 -0.599 0.000 1.612 77 R CB 0.451 30.478 30.300 -0.456 0.000 1.218 77 R HN 0.693 nan 8.270 nan 0.000 0.621 78 K N 1.587 121.594 120.400 -0.655 0.000 2.001 78 K HA -0.244 4.075 4.320 -0.001 0.000 0.223 78 K C 1.468 177.869 176.600 -0.331 0.000 1.055 78 K CA 1.787 57.817 56.287 -0.429 0.000 0.965 78 K CB 0.127 32.548 32.500 -0.132 0.000 0.730 78 K HN 0.264 nan 8.250 nan 0.000 0.449 79 E N -0.137 119.943 120.200 -0.200 0.000 2.197 79 E HA -0.235 4.115 4.350 -0.001 0.000 0.205 79 E C 2.011 178.539 176.600 -0.120 0.000 1.029 79 E CA 1.724 58.062 56.400 -0.102 0.000 0.828 79 E CB -0.387 29.270 29.700 -0.071 0.000 0.737 79 E HN 0.234 nan 8.360 nan 0.000 0.464 80 V N 0.338 120.090 119.914 -0.269 0.000 2.302 80 V HA -0.226 3.894 4.120 -0.001 0.000 0.243 80 V C 2.080 178.139 176.094 -0.059 0.000 1.036 80 V CA 1.657 63.841 62.300 -0.194 0.000 1.020 80 V CB -0.734 30.926 31.823 -0.271 0.000 0.657 80 V HN 0.158 nan 8.190 nan 0.000 0.453 81 Y N 0.624 120.896 120.300 -0.047 0.000 2.207 81 Y HA -0.246 4.304 4.550 -0.001 0.000 0.287 81 Y C 2.597 178.649 175.900 0.255 0.000 1.156 81 Y CA 1.364 59.457 58.100 -0.011 0.000 1.182 81 Y CB -1.229 37.186 38.460 -0.074 0.000 0.979 81 Y HN 0.281 nan 8.280 nan 0.000 0.521 82 Q N 0.706 120.678 119.800 0.288 0.000 1.993 82 Q HA -0.193 4.146 4.340 -0.001 0.000 0.202 82 Q C 2.128 178.257 176.000 0.215 0.000 0.984 82 Q CA 2.077 58.035 55.803 0.259 0.000 0.837 82 Q CB -0.412 28.413 28.738 0.146 0.000 0.902 82 Q HN 0.570 nan 8.270 nan 0.000 0.423 83 Q N -0.831 119.052 119.800 0.138 0.000 2.096 83 Q HA -0.151 4.188 4.340 -0.001 0.000 0.204 83 Q C 2.156 178.242 176.000 0.143 0.000 0.982 83 Q CA 1.773 57.642 55.803 0.110 0.000 0.850 83 Q CB -0.181 28.594 28.738 0.063 0.000 0.901 83 Q HN 0.274 nan 8.270 nan 0.000 0.422 84 V N 0.455 120.483 119.914 0.190 0.000 2.343 84 V HA -0.271 3.848 4.120 -0.001 0.000 0.247 84 V C 2.435 178.706 176.094 0.296 0.000 1.051 84 V CA 1.900 64.331 62.300 0.219 0.000 1.036 84 V CB -0.592 31.371 31.823 0.232 0.000 0.654 84 V HN 0.395 nan 8.190 nan 0.000 0.451 85 S N -0.346 115.630 115.700 0.460 0.000 2.353 85 S HA -0.247 4.223 4.470 -0.001 0.000 0.222 85 S C 2.258 176.974 174.600 0.193 0.000 1.035 85 S CA 2.301 60.714 58.200 0.355 0.000 1.025 85 S CB -0.388 63.041 63.200 0.383 0.000 0.902 85 S HN 0.620 nan 8.310 nan 0.000 0.440 86 S N 1.581 117.380 115.700 0.164 0.000 2.359 86 S HA -0.129 4.341 4.470 -0.001 0.000 0.223 86 S C 2.003 176.652 174.600 0.082 0.000 1.039 86 S CA 1.392 59.656 58.200 0.106 0.000 1.042 86 S CB -0.492 62.760 63.200 0.087 0.000 0.915 86 S HN 0.530 nan 8.310 nan 0.000 0.439 87 R N 0.497 121.043 120.500 0.077 0.000 2.096 87 R HA -0.113 4.227 4.340 -0.001 0.000 0.240 87 R C 2.266 178.584 176.300 0.029 0.000 1.139 87 R CA 1.700 57.829 56.100 0.048 0.000 0.952 87 R CB -0.701 29.625 30.300 0.044 0.000 0.854 87 R HN 0.445 nan 8.270 nan 0.000 0.436 88 I N 0.015 120.589 120.570 0.006 0.000 2.315 88 I HA -0.247 3.922 4.170 -0.001 0.000 0.248 88 I C 2.357 178.494 176.117 0.035 0.000 1.117 88 I CA 0.895 62.159 61.300 -0.059 0.000 1.404 88 I CB -0.168 37.649 38.000 -0.305 0.000 1.071 88 I HN 0.114 nan 8.210 nan 0.000 0.419 89 M N 0.833 120.489 119.600 0.093 0.000 2.279 89 M HA -0.150 4.330 4.480 -0.001 0.000 0.264 89 M C 1.751 178.095 176.300 0.073 0.000 1.062 89 M CA 1.604 56.965 55.300 0.102 0.000 1.099 89 M CB -0.710 31.945 32.600 0.093 0.000 1.394 89 M HN 0.135 nan 8.290 nan 0.000 0.426 90 N N -0.648 118.088 118.700 0.060 0.000 2.409 90 N HA -0.028 4.712 4.740 -0.001 0.000 0.179 90 N C 1.383 176.929 175.510 0.061 0.000 1.032 90 N CA 0.810 53.891 53.050 0.052 0.000 0.898 90 N CB -0.088 38.423 38.487 0.039 0.000 0.971 90 N HN 0.247 nan 8.380 nan 0.000 0.441 91 L N 0.872 122.137 121.223 0.071 0.000 2.095 91 L HA 0.067 4.406 4.340 -0.001 0.000 0.204 91 L C 2.183 179.177 176.870 0.207 0.000 1.080 91 L CA 0.918 55.824 54.840 0.111 0.000 0.759 91 L CB -0.903 41.212 42.059 0.094 0.000 0.914 91 L HN 0.097 nan 8.230 nan 0.000 0.439 92 L N -1.104 120.213 121.223 0.158 0.000 2.079 92 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 92 L C 2.648 179.640 176.870 0.203 0.000 1.081 92 L CA 1.113 56.059 54.840 0.177 0.000 0.752 92 L CB -0.475 41.629 42.059 0.075 0.000 0.896 92 L HN 0.210 nan 8.230 nan 0.000 0.433 93 R N 0.079 120.654 120.500 0.126 0.000 2.170 93 R HA -0.179 4.161 4.340 -0.001 0.000 0.242 93 R C 1.835 178.181 176.300 0.077 0.000 1.145 93 R CA 1.192 57.346 56.100 0.090 0.000 0.984 93 R CB -0.156 30.178 30.300 0.057 0.000 0.869 93 R HN 0.494 nan 8.270 nan 0.000 0.455 94 E N -1.075 119.169 120.200 0.073 0.000 2.511 94 E HA -0.128 4.222 4.350 -0.001 0.000 0.196 94 E C 0.594 177.095 176.600 -0.166 0.000 1.066 94 E CA 0.593 56.955 56.400 -0.063 0.000 0.871 94 E CB 0.262 29.877 29.700 -0.142 0.000 0.863 94 E HN 0.477 nan 8.360 nan 0.000 0.520 95 Y N -0.305 119.999 120.300 0.007 0.000 2.507 95 Y HA 0.195 4.745 4.550 -0.001 0.000 0.263 95 Y C 0.799 176.708 175.900 0.016 0.000 1.093 95 Y CA 0.030 58.135 58.100 0.009 0.000 1.285 95 Y CB 1.264 39.728 38.460 0.006 0.000 1.115 95 Y HN -0.213 nan 8.280 nan 0.000 0.533 96 S N -0.608 115.183 115.700 0.152 0.000 2.592 96 S HA 0.201 4.671 4.470 -0.001 0.000 0.275 96 S C 0.026 174.670 174.600 0.073 0.000 1.169 96 S CA -0.655 57.606 58.200 0.101 0.000 0.958 96 S CB 0.797 64.065 63.200 0.113 0.000 1.095 96 S HN 0.344 nan 8.310 nan 0.000 0.471 97 E N 2.430 122.660 120.200 0.050 0.000 2.106 97 E HA -0.061 4.289 4.350 -0.001 0.000 0.192 97 E C -0.057 176.570 176.600 0.045 0.000 0.984 97 E CA 0.801 57.224 56.400 0.039 0.000 0.806 97 E CB -0.044 29.672 29.700 0.026 0.000 0.750 97 E HN 0.293 nan 8.360 nan 0.000 0.458 98 K N 1.355 121.786 120.400 0.052 0.000 2.127 98 K HA 0.301 4.621 4.320 -0.001 0.000 0.261 98 K C -0.671 175.974 176.600 0.075 0.000 1.129 98 K CA 0.097 56.417 56.287 0.055 0.000 0.993 98 K CB 0.253 32.784 32.500 0.052 0.000 1.410 98 K HN 0.076 nan 8.250 nan 0.000 0.380 99 I N 0.572 121.186 120.570 0.074 0.000 2.892 99 I HA 0.326 4.495 4.170 -0.001 0.000 0.306 99 I C -1.141 175.035 176.117 0.097 0.000 1.078 99 I CA -0.864 60.492 61.300 0.093 0.000 1.032 99 I CB 1.981 40.029 38.000 0.081 0.000 1.229 99 I HN 0.466 nan 8.210 nan 0.000 0.435 100 E N 6.074 126.357 120.200 0.140 0.000 2.373 100 E HA 0.300 4.649 4.350 -0.001 0.000 0.251 100 E C -1.599 175.103 176.600 0.170 0.000 0.923 100 E CA -0.659 55.830 56.400 0.149 0.000 0.798 100 E CB 1.035 30.834 29.700 0.164 0.000 1.303 100 E HN 0.404 nan 8.360 nan 0.000 0.412 101 I N 4.620 125.249 120.570 0.097 0.000 2.372 101 I HA 0.113 4.282 4.170 -0.001 0.000 0.298 101 I C 1.193 177.360 176.117 0.083 0.000 1.137 101 I CA 0.308 61.643 61.300 0.058 0.000 1.314 101 I CB 0.680 38.698 38.000 0.030 0.000 1.444 101 I HN 0.735 nan 8.210 nan 0.000 0.541 102 A N 4.320 127.219 122.820 0.132 0.000 2.014 102 A HA 0.144 4.464 4.320 -0.001 0.000 0.218 102 A C 1.153 178.781 177.584 0.073 0.000 1.163 102 A CA 1.409 53.550 52.037 0.174 0.000 0.652 102 A CB -0.174 19.061 19.000 0.392 0.000 0.808 102 A HN 0.698 nan 8.150 nan 0.000 0.449 103 S N -3.015 112.681 115.700 -0.007 0.000 2.761 103 S HA 0.347 4.816 4.470 -0.001 0.000 0.290 103 S C 0.560 175.114 174.600 -0.076 0.000 1.222 103 S CA 0.102 58.288 58.200 -0.023 0.000 0.954 103 S CB -0.136 63.047 63.200 -0.028 0.000 1.281 103 S HN 0.282 nan 8.310 nan 0.000 0.527 104 I N 1.377 121.927 120.570 -0.033 0.000 2.546 104 I HA -0.023 4.146 4.170 -0.001 0.000 0.255 104 I C 0.543 176.496 176.117 -0.273 0.000 1.163 104 I CA 1.935 63.236 61.300 0.002 0.000 1.457 104 I CB -0.093 38.050 38.000 0.238 0.000 1.092 104 I HN 0.773 nan 8.210 nan 0.000 0.434 105 D N -0.420 119.681 120.400 -0.498 0.000 2.650 105 D HA 0.172 4.811 4.640 -0.001 0.000 0.265 105 D C -0.330 175.199 176.300 -1.285 0.000 1.339 105 D CA -0.169 53.119 54.000 -1.187 0.000 0.816 105 D CB 0.031 40.401 40.800 -0.717 0.000 1.091 105 D HN 0.308 nan 8.370 nan 0.000 0.483 106 E N 0.053 119.751 120.200 -0.837 0.000 2.290 106 E HA 0.687 5.036 4.350 -0.001 0.000 0.274 106 E C -1.467 174.835 176.600 -0.498 0.000 0.889 106 E CA -1.034 54.942 56.400 -0.707 0.000 0.760 106 E CB 2.501 32.037 29.700 -0.273 0.000 1.206 106 E HN 0.216 nan 8.360 nan 0.000 0.419 107 A N 2.525 124.977 122.820 -0.613 0.000 2.486 107 A HA 0.666 4.986 4.320 -0.001 0.000 0.300 107 A C -1.940 175.487 177.584 -0.262 0.000 1.048 107 A CA -0.594 51.279 52.037 -0.273 0.000 0.696 107 A CB 0.884 19.770 19.000 -0.190 0.000 1.278 107 A HN 0.544 nan 8.150 nan 0.000 0.405 108 Y N 0.996 121.340 120.300 0.073 0.000 2.328 108 Y HA 0.594 5.144 4.550 -0.001 0.000 0.337 108 Y C -0.415 175.539 175.900 0.091 0.000 0.966 108 Y CA -0.481 57.715 58.100 0.160 0.000 1.136 108 Y CB 1.755 40.329 38.460 0.190 0.000 1.170 108 Y HN 0.501 nan 8.280 nan 0.000 0.470 109 L N 3.986 125.337 121.223 0.214 0.000 2.313 109 L HA 0.316 4.655 4.340 -0.001 0.000 0.283 109 L C -0.390 176.574 176.870 0.155 0.000 1.013 109 L CA -0.486 54.443 54.840 0.149 0.000 0.816 109 L CB 1.321 43.436 42.059 0.093 0.000 1.236 109 L HN 0.540 nan 8.230 nan 0.000 0.419 110 D N 4.482 124.960 120.400 0.130 0.000 2.441 110 D HA 0.163 4.803 4.640 -0.001 0.000 0.221 110 D C 0.631 176.986 176.300 0.093 0.000 1.156 110 D CA -0.233 53.834 54.000 0.111 0.000 0.896 110 D CB 0.686 41.538 40.800 0.087 0.000 1.028 110 D HN 0.540 nan 8.370 nan 0.000 0.509 111 I N 0.542 121.169 120.570 0.096 0.000 3.858 111 I HA 0.136 4.306 4.170 -0.001 0.000 0.325 111 I C 0.995 177.148 176.117 0.060 0.000 1.403 111 I CA -0.526 60.823 61.300 0.082 0.000 1.169 111 I CB 0.170 38.223 38.000 0.089 0.000 1.077 111 I HN -0.045 nan 8.210 nan 0.000 0.403 112 S N 1.229 116.962 115.700 0.056 0.000 2.359 112 S HA -0.226 4.243 4.470 -0.001 0.000 0.224 112 S C 1.559 176.171 174.600 0.020 0.000 1.035 112 S CA 1.828 60.050 58.200 0.036 0.000 1.018 112 S CB -0.364 62.864 63.200 0.046 0.000 0.876 112 S HN 0.666 nan 8.310 nan 0.000 0.448 113 D N 1.487 121.902 120.400 0.026 0.000 2.344 113 D HA 0.007 4.646 4.640 -0.001 0.000 0.242 113 D C 0.575 176.886 176.300 0.019 0.000 1.159 113 D CA 0.355 54.365 54.000 0.017 0.000 0.859 113 D CB 0.035 40.845 40.800 0.017 0.000 0.925 113 D HN 0.581 nan 8.370 nan 0.000 0.510 114 K N -1.232 119.183 120.400 0.025 0.000 2.586 114 K HA 0.276 4.596 4.320 -0.001 0.000 0.198 114 K C -0.289 176.328 176.600 0.029 0.000 1.170 114 K CA -0.450 55.854 56.287 0.029 0.000 1.069 114 K CB 1.322 33.849 32.500 0.045 0.000 0.944 114 K HN -0.150 nan 8.250 nan 0.000 0.572 115 V N 1.315 121.238 119.914 0.015 0.000 3.204 115 V HA 0.449 4.568 4.120 -0.001 0.000 0.298 115 V C -1.628 174.452 176.094 -0.024 0.000 1.328 115 V CA -0.973 61.331 62.300 0.007 0.000 1.035 115 V CB 2.646 34.481 31.823 0.020 0.000 1.095 115 V HN 0.326 nan 8.190 nan 0.000 0.442 116 R N 1.819 122.301 120.500 -0.031 0.000 2.686 116 R HA 0.709 5.049 4.340 -0.001 0.000 0.286 116 R C -1.058 175.199 176.300 -0.071 0.000 0.969 116 R CA -0.587 55.478 56.100 -0.057 0.000 0.898 116 R CB 1.798 32.077 30.300 -0.036 0.000 1.183 116 R HN 1.025 nan 8.270 nan 0.000 0.456 117 D N -0.011 120.312 120.400 -0.127 0.000 11.052 117 D HA -0.301 4.339 4.640 -0.001 0.000 0.365 117 D C -0.461 175.770 176.300 -0.115 0.000 3.091 117 D CA 0.717 54.643 54.000 -0.124 0.000 2.581 117 D CB -0.266 40.521 40.800 -0.021 0.000 1.116 117 D HN 0.633 nan 8.370 nan 0.000 0.945 118 Y N -0.746 119.588 120.300 0.058 0.000 2.516 118 Y HA 0.090 4.640 4.550 -0.000 0.000 0.291 118 Y C 2.732 178.691 175.900 0.099 0.000 1.131 118 Y CA 1.083 59.233 58.100 0.084 0.000 1.281 118 Y CB -0.318 38.190 38.460 0.080 0.000 1.013 118 Y HN 0.461 nan 8.280 nan 0.000 0.554 119 R N 0.748 121.366 120.500 0.197 0.000 2.081 119 R HA -0.192 4.147 4.340 -0.001 0.000 0.235 119 R C 1.767 178.174 176.300 0.178 0.000 1.131 119 R CA 1.861 58.053 56.100 0.152 0.000 0.960 119 R CB -0.087 30.262 30.300 0.083 0.000 0.856 119 R HN 0.411 nan 8.270 nan 0.000 0.436 120 E N -0.382 119.894 120.200 0.126 0.000 2.106 120 E HA -0.140 4.210 4.350 -0.001 0.000 0.192 120 E C 1.928 178.602 176.600 0.124 0.000 0.984 120 E CA 0.900 57.363 56.400 0.105 0.000 0.806 120 E CB -0.033 29.703 29.700 0.060 0.000 0.750 120 E HN 0.430 nan 8.360 nan 0.000 0.458 121 A N 1.021 123.929 122.820 0.148 0.000 1.865 121 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 121 A C 2.049 179.732 177.584 0.164 0.000 1.191 121 A CA 1.596 53.729 52.037 0.160 0.000 0.623 121 A CB -1.010 18.134 19.000 0.239 0.000 0.826 121 A HN 0.444 nan 8.150 nan 0.000 0.444 122 Y N 1.263 121.628 120.300 0.107 0.000 2.207 122 Y HA -0.277 4.273 4.550 -0.001 0.000 0.287 122 Y C 2.076 178.002 175.900 0.042 0.000 1.156 122 Y CA 2.265 60.407 58.100 0.070 0.000 1.182 122 Y CB -0.504 37.997 38.460 0.068 0.000 0.979 122 Y HN 0.495 nan 8.280 nan 0.000 0.521 123 N N -0.447 118.343 118.700 0.150 0.000 2.171 123 N HA -0.152 4.588 4.740 -0.001 0.000 0.184 123 N C 1.616 177.117 175.510 -0.016 0.000 1.021 123 N CA 0.947 54.038 53.050 0.068 0.000 0.854 123 N CB -0.244 38.316 38.487 0.121 0.000 0.994 123 N HN 0.275 nan 8.380 nan 0.000 0.426 124 L N 1.035 122.265 121.223 0.011 0.000 2.093 124 L HA 0.061 4.401 4.340 -0.001 0.000 0.208 124 L C 2.077 178.884 176.870 -0.106 0.000 1.085 124 L CA 1.530 56.371 54.840 0.001 0.000 0.755 124 L CB -1.055 41.033 42.059 0.048 0.000 0.904 124 L HN 0.114 nan 8.230 nan 0.000 0.435 125 G N -0.433 108.289 108.800 -0.130 0.000 2.421 125 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.216 125 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.216 125 G C 1.656 176.406 174.900 -0.250 0.000 1.171 125 G CA 0.961 45.943 45.100 -0.196 0.000 0.775 125 G HN 0.405 nan 8.290 nan 0.000 0.543 126 L N 0.048 121.085 121.223 -0.309 0.000 2.042 126 L HA -0.104 4.236 4.340 -0.001 0.000 0.210 126 L C 2.894 179.667 176.870 -0.161 0.000 1.076 126 L CA 1.457 56.133 54.840 -0.274 0.000 0.749 126 L CB -0.271 41.611 42.059 -0.296 0.000 0.893 126 L HN 0.323 nan 8.230 nan 0.000 0.432 127 E N 0.477 120.605 120.200 -0.120 0.000 2.106 127 E HA -0.216 4.134 4.350 -0.001 0.000 0.192 127 E C 2.293 178.820 176.600 -0.122 0.000 0.984 127 E CA 1.120 57.484 56.400 -0.059 0.000 0.806 127 E CB 0.017 29.735 29.700 0.030 0.000 0.750 127 E HN 0.510 nan 8.360 nan 0.000 0.458 128 I N 0.848 121.249 120.570 -0.281 0.000 2.226 128 I HA -0.298 3.872 4.170 -0.001 0.000 0.245 128 I C 2.543 178.509 176.117 -0.252 0.000 1.100 128 I CA 1.163 62.190 61.300 -0.454 0.000 1.374 128 I CB -0.160 37.500 38.000 -0.567 0.000 1.057 128 I HN 0.041 nan 8.210 nan 0.000 0.413 129 K N 0.669 120.948 120.400 -0.201 0.000 2.009 129 K HA -0.186 4.134 4.320 -0.001 0.000 0.210 129 K C 1.892 178.423 176.600 -0.115 0.000 1.049 129 K CA 1.680 57.875 56.287 -0.154 0.000 0.929 129 K CB -0.265 32.148 32.500 -0.145 0.000 0.714 129 K HN 0.349 nan 8.250 nan 0.000 0.440 130 N N 1.106 119.751 118.700 -0.092 0.000 2.166 130 N HA -0.169 4.571 4.740 -0.001 0.000 0.186 130 N C 1.690 177.175 175.510 -0.041 0.000 1.019 130 N CA 1.050 54.067 53.050 -0.056 0.000 0.856 130 N CB -0.168 38.298 38.487 -0.035 0.000 0.993 130 N HN 0.045 nan 8.380 nan 0.000 0.426 131 K N 1.637 122.017 120.400 -0.033 0.000 2.032 131 K HA 0.045 4.365 4.320 -0.001 0.000 0.209 131 K C 1.961 178.546 176.600 -0.025 0.000 1.048 131 K CA 0.887 57.177 56.287 0.006 0.000 0.927 131 K CB -0.435 32.114 32.500 0.081 0.000 0.712 131 K HN 0.177 nan 8.250 nan 0.000 0.441 132 I N 0.016 120.542 120.570 -0.074 0.000 2.252 132 I HA -0.226 3.944 4.170 -0.001 0.000 0.245 132 I C 2.158 178.219 176.117 -0.093 0.000 1.102 132 I CA 0.622 61.858 61.300 -0.107 0.000 1.385 132 I CB -0.239 37.651 38.000 -0.184 0.000 1.064 132 I HN 0.122 nan 8.210 nan 0.000 0.414 133 L N 1.037 122.210 121.223 -0.083 0.000 2.017 133 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 133 L C 2.574 179.420 176.870 -0.041 0.000 1.073 133 L CA 1.930 56.732 54.840 -0.063 0.000 0.745 133 L CB -0.532 41.493 42.059 -0.057 0.000 0.894 133 L HN 0.238 nan 8.230 nan 0.000 0.432 134 E N -0.931 119.250 120.200 -0.031 0.000 2.077 134 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 134 E C 1.813 178.404 176.600 -0.014 0.000 0.989 134 E CA 1.026 57.416 56.400 -0.016 0.000 0.800 134 E CB 0.111 29.806 29.700 -0.007 0.000 0.746 134 E HN 0.351 nan 8.360 nan 0.000 0.452 135 K N -0.337 120.052 120.400 -0.017 0.000 2.284 135 K HA 0.021 4.340 4.320 -0.001 0.000 0.198 135 K C 1.295 177.884 176.600 -0.019 0.000 1.048 135 K CA 0.634 56.914 56.287 -0.013 0.000 0.987 135 K CB 0.535 33.032 32.500 -0.006 0.000 0.800 135 K HN 0.108 nan 8.250 nan 0.000 0.486 136 E N -0.129 120.049 120.200 -0.036 0.000 2.639 136 E HA 0.095 4.445 4.350 -0.001 0.000 0.225 136 E C -0.542 176.037 176.600 -0.035 0.000 0.921 136 E CA -0.030 56.349 56.400 -0.036 0.000 1.184 136 E CB 0.910 30.577 29.700 -0.056 0.000 1.160 136 E HN 0.073 nan 8.360 nan 0.000 0.547 137 K N 1.105 121.480 120.400 -0.041 0.000 3.162 137 K HA -0.140 4.180 4.320 -0.001 0.000 0.268 137 K C -0.511 176.060 176.600 -0.048 0.000 1.062 137 K CA 0.441 56.707 56.287 -0.035 0.000 0.769 137 K CB -0.934 31.557 32.500 -0.015 0.000 1.274 137 K HN 0.088 nan 8.250 nan 0.000 0.478 138 I N 1.618 122.137 120.570 -0.086 0.000 2.418 138 I HA 0.102 4.272 4.170 -0.001 0.000 0.287 138 I C 1.062 177.094 176.117 -0.142 0.000 1.008 138 I CA -0.320 60.910 61.300 -0.117 0.000 1.104 138 I CB 1.641 39.538 38.000 -0.171 0.000 1.264 138 I HN 0.151 nan 8.210 nan 0.000 0.438 139 T N 4.316 118.791 114.554 -0.131 0.000 2.913 139 T HA 0.648 4.998 4.350 -0.001 0.000 0.297 139 T C 0.018 174.642 174.700 -0.128 0.000 1.029 139 T CA -0.531 61.496 62.100 -0.121 0.000 1.104 139 T CB 1.572 70.379 68.868 -0.102 0.000 0.964 139 T HN 0.481 nan 8.240 nan 0.000 0.532 140 V N -0.864 118.989 119.914 -0.102 0.000 3.114 140 V HA 0.827 4.947 4.120 -0.001 0.000 0.308 140 V C -0.470 175.582 176.094 -0.070 0.000 1.168 140 V CA -0.966 61.298 62.300 -0.061 0.000 1.015 140 V CB 1.919 33.719 31.823 -0.038 0.000 1.050 140 V HN 0.987 nan 8.190 nan 0.000 0.433 141 T N 2.304 116.820 114.554 -0.063 0.000 2.779 141 T HA 0.674 5.024 4.350 -0.001 0.000 0.280 141 T C -0.393 174.266 174.700 -0.068 0.000 0.987 141 T CA -0.311 61.758 62.100 -0.051 0.000 0.966 141 T CB 1.354 70.215 68.868 -0.011 0.000 0.933 141 T HN 0.751 nan 8.240 nan 0.000 0.442 142 V N 2.558 122.441 119.914 -0.053 0.000 2.472 142 V HA 0.815 4.935 4.120 -0.001 0.000 0.290 142 V C 0.662 176.786 176.094 0.051 0.000 1.037 142 V CA -0.720 61.556 62.300 -0.041 0.000 0.908 142 V CB 1.807 33.580 31.823 -0.082 0.000 0.985 142 V HN 1.014 nan 8.190 nan 0.000 0.454 143 G N 4.400 113.279 108.800 0.131 0.000 2.626 143 G HA2 0.752 4.712 3.960 -0.001 0.000 0.304 143 G HA3 0.752 4.712 3.960 -0.001 0.000 0.304 143 G C -1.106 173.899 174.900 0.175 0.000 1.385 143 G CA -0.428 44.773 45.100 0.168 0.000 0.957 143 G HN 0.577 nan 8.290 nan 0.000 0.504 144 I N 1.417 122.075 120.570 0.145 0.000 2.509 144 I HA 0.724 4.894 4.170 -0.001 0.000 0.293 144 I C 0.081 176.288 176.117 0.150 0.000 1.020 144 I CA -0.619 60.794 61.300 0.188 0.000 1.088 144 I CB 2.274 40.411 38.000 0.228 0.000 1.267 144 I HN 0.564 nan 8.210 nan 0.000 0.430 145 S N 2.839 118.692 115.700 0.255 0.000 2.660 145 S HA 0.178 4.648 4.470 -0.001 0.000 0.264 145 S C 0.122 174.878 174.600 0.260 0.000 1.131 145 S CA -0.702 57.619 58.200 0.201 0.000 0.846 145 S CB 1.166 64.442 63.200 0.126 0.000 1.151 145 S HN 0.765 nan 8.310 nan 0.000 0.486 146 K N 0.542 120.998 120.400 0.094 0.000 2.442 146 K HA 0.022 4.342 4.320 -0.001 0.000 0.198 146 K C 0.335 176.938 176.600 0.006 0.000 1.042 146 K CA 1.308 57.515 56.287 -0.133 0.000 0.958 146 K CB -0.620 31.540 32.500 -0.567 0.000 0.766 146 K HN 0.507 nan 8.250 nan 0.000 0.474 147 N N -0.887 117.912 118.700 0.164 0.000 2.934 147 N HA 0.141 4.880 4.740 -0.001 0.000 0.253 147 N C -0.343 175.341 175.510 0.291 0.000 1.466 147 N CA -1.090 52.113 53.050 0.255 0.000 0.858 147 N CB 1.074 39.819 38.487 0.431 0.000 1.459 147 N HN -0.263 nan 8.380 nan 0.000 0.532 148 K N -0.339 120.229 120.400 0.280 0.000 2.032 148 K HA -0.098 4.222 4.320 -0.001 0.000 0.209 148 K C 1.443 178.134 176.600 0.152 0.000 1.048 148 K CA 1.878 58.296 56.287 0.218 0.000 0.927 148 K CB -0.541 31.921 32.500 -0.063 0.000 0.712 148 K HN 0.343 nan 8.250 nan 0.000 0.441 149 V N 1.153 121.101 119.914 0.057 0.000 2.231 149 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 149 V C 2.127 178.078 176.094 -0.238 0.000 1.054 149 V CA 1.992 64.168 62.300 -0.208 0.000 1.015 149 V CB -0.662 30.830 31.823 -0.553 0.000 0.638 149 V HN 0.173 nan 8.190 nan 0.000 0.444 150 F N 0.466 120.376 119.950 -0.068 0.000 2.451 150 F HA -0.004 4.522 4.527 -0.001 0.000 0.299 150 F C 2.273 178.054 175.800 -0.030 0.000 1.101 150 F CA 0.969 58.935 58.000 -0.057 0.000 1.436 150 F CB -0.732 38.240 39.000 -0.047 0.000 1.074 150 F HN 0.088 nan 8.300 nan 0.000 0.553 151 A N 0.058 122.972 122.820 0.157 0.000 1.897 151 A HA -0.170 4.149 4.320 -0.001 0.000 0.215 151 A C 2.200 179.771 177.584 -0.021 0.000 1.181 151 A CA 1.610 53.728 52.037 0.134 0.000 0.620 151 A CB -0.539 18.598 19.000 0.228 0.000 0.821 151 A HN 0.315 nan 8.150 nan 0.000 0.443 152 K N -0.035 120.211 120.400 -0.257 0.000 2.002 152 K HA -0.053 4.267 4.320 -0.001 0.000 0.209 152 K C 1.736 178.199 176.600 -0.228 0.000 1.048 152 K CA 1.640 57.579 56.287 -0.581 0.000 0.930 152 K CB -0.411 31.720 32.500 -0.617 0.000 0.714 152 K HN 0.416 nan 8.250 nan 0.000 0.438 153 I N 1.134 121.604 120.570 -0.167 0.000 2.151 153 I HA -0.327 3.843 4.170 -0.001 0.000 0.243 153 I C 2.436 178.539 176.117 -0.023 0.000 1.080 153 I CA 1.392 62.630 61.300 -0.104 0.000 1.339 153 I CB -0.423 37.493 38.000 -0.141 0.000 1.039 153 I HN 0.348 nan 8.210 nan 0.000 0.409 154 A N 0.560 123.391 122.820 0.019 0.000 1.908 154 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 154 A C 2.511 180.130 177.584 0.058 0.000 1.181 154 A CA 2.078 54.145 52.037 0.051 0.000 0.627 154 A CB -0.866 18.178 19.000 0.074 0.000 0.818 154 A HN 0.465 nan 8.150 nan 0.000 0.445 155 A N -0.248 122.623 122.820 0.084 0.000 1.929 155 A HA -0.130 4.190 4.320 -0.001 0.000 0.216 155 A C 1.739 179.376 177.584 0.088 0.000 1.176 155 A CA 1.631 53.747 52.037 0.132 0.000 0.628 155 A CB -0.509 18.690 19.000 0.333 0.000 0.816 155 A HN 0.462 nan 8.150 nan 0.000 0.444 156 D N -0.191 120.239 120.400 0.050 0.000 2.182 156 D HA -0.159 4.480 4.640 -0.001 0.000 0.201 156 D C 1.977 178.299 176.300 0.037 0.000 0.986 156 D CA 1.465 55.487 54.000 0.038 0.000 0.847 156 D CB -0.265 40.533 40.800 -0.002 0.000 0.942 156 D HN 0.535 nan 8.370 nan 0.000 0.467 157 M N 0.308 119.925 119.600 0.028 0.000 2.134 157 M HA 0.002 4.481 4.480 -0.001 0.000 0.262 157 M C 2.438 178.752 176.300 0.024 0.000 1.076 157 M CA 1.031 56.345 55.300 0.023 0.000 1.143 157 M CB -0.180 32.431 32.600 0.018 0.000 1.346 157 M HN -0.083 nan 8.290 nan 0.000 0.421 158 A N 1.523 124.360 122.820 0.029 0.000 1.978 158 A HA -0.127 4.192 4.320 -0.001 0.000 0.220 158 A C 1.078 178.664 177.584 0.003 0.000 1.170 158 A CA 0.992 53.041 52.037 0.021 0.000 0.636 158 A CB -0.967 18.053 19.000 0.033 0.000 0.810 158 A HN 0.574 nan 8.150 nan 0.000 0.448 159 K N 0.784 121.194 120.400 0.017 0.000 2.440 159 K HA 0.266 4.586 4.320 -0.001 0.000 0.270 159 K C -2.529 174.035 176.600 -0.060 0.000 0.980 159 K CA -0.976 55.313 56.287 0.002 0.000 0.953 159 K CB -0.077 32.463 32.500 0.067 0.000 0.925 159 K HN 0.179 nan 8.250 nan 0.000 0.497 160 P HA 0.037 nan 4.420 nan 0.000 0.284 160 P C -0.730 176.497 177.300 -0.122 0.000 1.292 160 P CA -0.611 62.382 63.100 -0.179 0.000 0.800 160 P CB 0.286 31.704 31.700 -0.470 0.000 1.188 161 N N -1.285 117.361 118.700 -0.090 0.000 2.730 161 N HA -0.174 4.565 4.740 -0.001 0.000 0.266 161 N C 0.266 175.738 175.510 -0.063 0.000 0.949 161 N CA 1.187 54.192 53.050 -0.074 0.000 0.829 161 N CB -1.137 37.312 38.487 -0.064 0.000 0.916 161 N HN 0.685 nan 8.380 nan 0.000 0.558 162 G N -0.412 108.356 108.800 -0.053 0.000 3.252 162 G HA2 0.794 4.753 3.960 -0.001 0.000 0.181 162 G HA3 0.794 4.753 3.960 -0.001 0.000 0.181 162 G C -0.692 174.187 174.900 -0.034 0.000 1.187 162 G CA -0.137 44.943 45.100 -0.034 0.000 0.886 162 G HN 0.725 nan 8.290 nan 0.000 0.615 163 I N -0.663 119.905 120.570 -0.003 0.000 2.660 163 I HA 0.413 4.583 4.170 -0.001 0.000 0.290 163 I C -2.156 174.011 176.117 0.082 0.000 1.735 163 I CA -0.645 60.655 61.300 -0.001 0.000 1.042 163 I CB 1.619 39.559 38.000 -0.099 0.000 1.565 163 I HN 0.697 nan 8.210 nan 0.000 0.479 164 K N 6.609 127.065 120.400 0.092 0.000 2.527 164 K HA 0.768 5.087 4.320 -0.001 0.000 0.260 164 K C -2.111 174.549 176.600 0.101 0.000 0.937 164 K CA -0.601 55.755 56.287 0.115 0.000 0.826 164 K CB 2.526 35.066 32.500 0.066 0.000 1.359 164 K HN 0.379 nan 8.250 nan 0.000 0.434 165 V N 3.879 123.839 119.914 0.077 0.000 2.850 165 V HA 0.546 4.666 4.120 -0.001 0.000 0.315 165 V C -0.121 175.896 176.094 -0.129 0.000 1.064 165 V CA -0.796 61.491 62.300 -0.023 0.000 0.979 165 V CB 1.635 33.434 31.823 -0.040 0.000 1.039 165 V HN 0.700 nan 8.190 nan 0.000 0.452 166 I N 2.532 122.948 120.570 -0.257 0.000 2.649 166 I HA 0.225 4.394 4.170 -0.001 0.000 0.275 166 I C -0.601 175.268 176.117 -0.413 0.000 1.153 166 I CA -0.548 60.615 61.300 -0.228 0.000 1.069 166 I CB 1.256 39.216 38.000 -0.067 0.000 1.227 166 I HN 0.829 nan 8.210 nan 0.000 0.505 167 D N 1.737 121.846 120.400 -0.484 0.000 2.362 167 D HA 0.010 4.649 4.640 -0.001 0.000 0.238 167 D C 0.701 176.914 176.300 -0.145 0.000 1.212 167 D CA -0.248 53.502 54.000 -0.416 0.000 0.902 167 D CB 0.955 41.636 40.800 -0.198 0.000 1.180 167 D HN 0.286 nan 8.370 nan 0.000 0.445 168 D N -0.326 120.095 120.400 0.035 0.000 2.172 168 D HA -0.226 4.413 4.640 -0.001 0.000 0.196 168 D C 1.534 177.800 176.300 -0.055 0.000 0.999 168 D CA 1.536 55.537 54.000 0.001 0.000 0.856 168 D CB -0.105 40.765 40.800 0.117 0.000 0.934 168 D HN 0.591 nan 8.370 nan 0.000 0.453 169 E N 0.889 121.071 120.200 -0.030 0.000 2.012 169 E HA -0.208 4.142 4.350 -0.001 0.000 0.197 169 E C 1.732 178.295 176.600 -0.060 0.000 1.007 169 E CA 1.461 57.839 56.400 -0.037 0.000 0.816 169 E CB -0.136 29.550 29.700 -0.024 0.000 0.762 169 E HN 0.373 nan 8.360 nan 0.000 0.451 170 E N -0.560 119.595 120.200 -0.075 0.000 2.265 170 E HA -0.139 4.211 4.350 -0.001 0.000 0.196 170 E C 2.079 178.630 176.600 -0.082 0.000 0.996 170 E CA 0.982 57.341 56.400 -0.068 0.000 0.832 170 E CB 0.033 29.691 29.700 -0.071 0.000 0.756 170 E HN 0.127 nan 8.360 nan 0.000 0.491 171 V N 1.107 120.926 119.914 -0.159 0.000 2.427 171 V HA -0.211 3.909 4.120 -0.001 0.000 0.248 171 V C 2.121 178.102 176.094 -0.190 0.000 1.051 171 V CA 1.491 63.612 62.300 -0.297 0.000 1.048 171 V CB -0.254 31.235 31.823 -0.556 0.000 0.666 171 V HN 0.074 nan 8.190 nan 0.000 0.456 172 K N 0.267 120.592 120.400 -0.125 0.000 2.148 172 K HA -0.120 4.200 4.320 -0.001 0.000 0.204 172 K C 2.246 178.827 176.600 -0.032 0.000 1.050 172 K CA 1.251 57.496 56.287 -0.070 0.000 0.942 172 K CB -0.356 32.114 32.500 -0.051 0.000 0.724 172 K HN 0.399 nan 8.250 nan 0.000 0.446 173 R N 0.055 120.538 120.500 -0.027 0.000 2.062 173 R HA -0.010 4.330 4.340 -0.001 0.000 0.229 173 R C 2.021 178.329 176.300 0.013 0.000 1.128 173 R CA 1.118 57.214 56.100 -0.008 0.000 0.960 173 R CB -0.292 30.001 30.300 -0.012 0.000 0.855 173 R HN 0.116 nan 8.270 nan 0.000 0.432 174 L N 0.923 122.167 121.223 0.035 0.000 2.042 174 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 174 L C 2.390 179.311 176.870 0.085 0.000 1.076 174 L CA 1.326 56.214 54.840 0.080 0.000 0.749 174 L CB -0.458 41.706 42.059 0.176 0.000 0.893 174 L HN 0.292 nan 8.230 nan 0.000 0.432 175 I N -0.556 120.072 120.570 0.097 0.000 2.623 175 I HA -0.285 3.885 4.170 -0.001 0.000 0.261 175 I C 2.408 178.543 176.117 0.031 0.000 1.204 175 I CA 1.159 62.505 61.300 0.077 0.000 1.444 175 I CB -0.378 37.658 38.000 0.061 0.000 1.094 175 I HN 0.337 nan 8.210 nan 0.000 0.451 176 R N 0.533 121.046 120.500 0.022 0.000 2.040 176 R HA 0.081 4.420 4.340 -0.001 0.000 0.209 176 R C 2.132 178.436 176.300 0.006 0.000 1.281 176 R CA 0.343 56.448 56.100 0.009 0.000 1.064 176 R CB -0.294 30.009 30.300 0.005 0.000 0.950 176 R HN 0.248 nan 8.270 nan 0.000 0.462 177 E N 1.544 121.748 120.200 0.007 0.000 2.001 177 E HA -0.131 4.219 4.350 -0.001 0.000 0.195 177 E C 0.436 177.036 176.600 0.001 0.000 1.002 177 E CA 0.267 56.669 56.400 0.003 0.000 0.819 177 E CB -0.355 29.347 29.700 0.003 0.000 0.769 177 E HN -0.031 nan 8.360 nan 0.000 0.454 178 L N 2.983 124.208 121.223 0.005 0.000 2.769 178 L HA -0.142 4.198 4.340 -0.001 0.000 0.293 178 L C -0.274 176.586 176.870 -0.016 0.000 1.224 178 L CA 0.530 55.367 54.840 -0.005 0.000 0.906 178 L CB 0.078 42.136 42.059 -0.003 0.000 1.193 178 L HN -0.018 nan 8.230 nan 0.000 0.488 179 D N 4.248 124.636 120.400 -0.019 0.000 2.412 179 D HA -0.045 4.594 4.640 -0.001 0.000 0.257 179 D C 1.459 177.738 176.300 -0.035 0.000 1.217 179 D CA 0.445 54.432 54.000 -0.022 0.000 0.897 179 D CB 0.445 41.233 40.800 -0.019 0.000 1.132 179 D HN 0.618 nan 8.370 nan 0.000 0.493 180 I N 3.843 124.391 120.570 -0.037 0.000 2.300 180 I HA -0.352 3.818 4.170 -0.001 0.000 0.252 180 I C 1.798 177.885 176.117 -0.050 0.000 1.119 180 I CA 1.378 62.647 61.300 -0.052 0.000 1.384 180 I CB 0.080 38.053 38.000 -0.045 0.000 1.062 180 I HN 0.569 nan 8.210 nan 0.000 0.426 181 A N -0.072 122.727 122.820 -0.035 0.000 2.186 181 A HA -0.220 4.100 4.320 -0.001 0.000 0.219 181 A C 1.502 179.064 177.584 -0.037 0.000 1.159 181 A CA 1.939 53.958 52.037 -0.030 0.000 0.680 181 A CB -0.536 18.451 19.000 -0.022 0.000 0.787 181 A HN 0.549 nan 8.150 nan 0.000 0.467 182 D N -1.029 119.342 120.400 -0.048 0.000 2.360 182 D HA 0.146 4.785 4.640 -0.001 0.000 0.210 182 D C 0.220 176.468 176.300 -0.087 0.000 1.047 182 D CA 0.050 54.016 54.000 -0.056 0.000 0.854 182 D CB 0.004 40.773 40.800 -0.050 0.000 0.936 182 D HN 0.136 nan 8.370 nan 0.000 0.514 183 V N 3.261 123.114 119.914 -0.103 0.000 2.485 183 V HA 0.060 4.179 4.120 -0.001 0.000 0.287 183 V C -1.984 174.056 176.094 -0.090 0.000 1.022 183 V CA -1.139 61.069 62.300 -0.152 0.000 1.067 183 V CB 0.545 32.262 31.823 -0.178 0.000 0.967 183 V HN -0.071 nan 8.190 nan 0.000 0.479 184 P HA 0.088 nan 4.420 nan 0.000 0.261 184 P C 0.846 178.156 177.300 0.017 0.000 1.165 184 P CA 1.593 64.656 63.100 -0.061 0.000 0.759 184 P CB 0.316 31.955 31.700 -0.103 0.000 0.772 185 G N 2.915 111.701 108.800 -0.023 0.000 2.136 185 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.242 185 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.242 185 G C 0.023 174.926 174.900 0.005 0.000 0.989 185 G CA -0.556 44.518 45.100 -0.044 0.000 0.682 185 G HN 0.494 nan 8.290 nan 0.000 0.522 186 I N 1.851 122.428 120.570 0.011 0.000 2.668 186 I HA 0.405 4.575 4.170 -0.001 0.000 0.276 186 I C 1.176 177.288 176.117 -0.008 0.000 1.139 186 I CA -0.354 60.953 61.300 0.013 0.000 1.133 186 I CB 0.264 38.274 38.000 0.017 0.000 1.327 186 I HN 0.173 nan 8.210 nan 0.000 0.520 187 G N 3.325 112.117 108.800 -0.013 0.000 2.563 187 G HA2 0.188 4.148 3.960 -0.001 0.000 0.283 187 G HA3 0.188 4.148 3.960 -0.001 0.000 0.283 187 G C 0.836 175.728 174.900 -0.013 0.000 1.309 187 G CA -0.205 44.886 45.100 -0.016 0.000 1.022 187 G HN 0.439 nan 8.290 nan 0.000 0.501 188 N N -0.269 118.423 118.700 -0.014 0.000 2.005 188 N HA -0.170 4.570 4.740 -0.001 0.000 0.199 188 N C 2.053 177.557 175.510 -0.011 0.000 1.054 188 N CA 1.270 54.313 53.050 -0.012 0.000 0.864 188 N CB -0.269 38.211 38.487 -0.011 0.000 1.063 188 N HN 0.312 nan 8.380 nan 0.000 0.428 189 I N 0.469 121.032 120.570 -0.012 0.000 3.055 189 I HA -0.159 4.010 4.170 -0.001 0.000 0.277 189 I C 1.014 177.124 176.117 -0.011 0.000 1.306 189 I CA 1.377 62.670 61.300 -0.012 0.000 1.426 189 I CB -1.793 36.199 38.000 -0.013 0.000 1.081 189 I HN 0.203 nan 8.210 nan 0.000 0.502 190 T N -0.599 113.949 114.554 -0.010 0.000 3.010 190 T HA 0.293 4.643 4.350 -0.001 0.000 0.252 190 T C 1.909 176.605 174.700 -0.006 0.000 0.963 190 T CA 0.541 62.637 62.100 -0.007 0.000 0.952 190 T CB 0.507 69.373 68.868 -0.003 0.000 1.182 190 T HN 0.317 nan 8.240 nan 0.000 0.495 191 A N 2.052 124.867 122.820 -0.008 0.000 1.865 191 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 191 A C 2.025 179.603 177.584 -0.009 0.000 1.191 191 A CA 1.951 53.982 52.037 -0.010 0.000 0.623 191 A CB -0.585 18.408 19.000 -0.012 0.000 0.826 191 A HN 0.539 nan 8.150 nan 0.000 0.444 192 E N -0.214 119.981 120.200 -0.009 0.000 2.038 192 E HA -0.216 4.133 4.350 -0.001 0.000 0.195 192 E C 2.005 178.599 176.600 -0.010 0.000 1.000 192 E CA 1.541 57.936 56.400 -0.009 0.000 0.803 192 E CB -0.204 29.490 29.700 -0.009 0.000 0.750 192 E HN 0.555 nan 8.360 nan 0.000 0.448 193 K N 0.363 120.757 120.400 -0.010 0.000 2.293 193 K HA -0.187 4.132 4.320 -0.001 0.000 0.204 193 K C 2.036 178.629 176.600 -0.011 0.000 1.045 193 K CA 0.851 57.131 56.287 -0.012 0.000 0.933 193 K CB -0.095 32.397 32.500 -0.013 0.000 0.736 193 K HN 0.182 nan 8.250 nan 0.000 0.463 194 L N 0.146 121.363 121.223 -0.009 0.000 2.071 194 L HA -0.107 4.232 4.340 -0.001 0.000 0.201 194 L C 2.304 179.169 176.870 -0.008 0.000 1.076 194 L CA 0.856 55.691 54.840 -0.009 0.000 0.755 194 L CB -0.353 41.701 42.059 -0.008 0.000 0.915 194 L HN -0.024 nan 8.230 nan 0.000 0.445 195 K N 0.644 121.039 120.400 -0.009 0.000 2.242 195 K HA -0.240 4.080 4.320 -0.001 0.000 0.206 195 K C 1.901 178.497 176.600 -0.007 0.000 1.045 195 K CA 1.264 57.547 56.287 -0.008 0.000 0.930 195 K CB -0.022 32.473 32.500 -0.008 0.000 0.726 195 K HN -0.095 nan 8.250 nan 0.000 0.462 196 K N -0.035 120.360 120.400 -0.008 0.000 2.281 196 K HA -0.056 4.264 4.320 -0.001 0.000 0.203 196 K C 0.997 177.592 176.600 -0.008 0.000 1.046 196 K CA 1.103 57.384 56.287 -0.009 0.000 0.938 196 K CB 0.074 32.567 32.500 -0.011 0.000 0.737 196 K HN 0.241 nan 8.250 nan 0.000 0.458 197 L N -2.060 119.158 121.223 -0.007 0.000 2.728 197 L HA 0.334 4.674 4.340 -0.001 0.000 0.238 197 L C 0.811 177.679 176.870 -0.004 0.000 1.143 197 L CA 0.150 54.987 54.840 -0.006 0.000 0.937 197 L CB 0.097 42.153 42.059 -0.006 0.000 1.225 197 L HN 0.226 nan 8.230 nan 0.000 0.507 198 G N 1.692 110.489 108.800 -0.005 0.000 2.160 198 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.244 198 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.244 198 G C 0.035 174.933 174.900 -0.004 0.000 1.022 198 G CA -0.062 45.035 45.100 -0.004 0.000 0.741 198 G HN 0.329 nan 8.290 nan 0.000 0.508 199 I N 0.325 120.891 120.570 -0.005 0.000 2.385 199 I HA 0.429 4.599 4.170 -0.001 0.000 0.294 199 I C 0.766 176.877 176.117 -0.009 0.000 0.988 199 I CA -0.358 60.938 61.300 -0.006 0.000 1.265 199 I CB 1.510 39.506 38.000 -0.006 0.000 1.388 199 I HN 0.298 nan 8.210 nan 0.000 0.480 200 N N 3.255 121.949 118.700 -0.010 0.000 1.997 200 N HA 0.139 4.878 4.740 -0.001 0.000 0.225 200 N C -0.766 174.735 175.510 -0.015 0.000 1.383 200 N CA -0.493 52.549 53.050 -0.013 0.000 0.770 200 N CB 0.577 39.058 38.487 -0.010 0.000 1.178 200 N HN 0.219 nan 8.380 nan 0.000 0.515 201 K N 0.378 120.770 120.400 -0.015 0.000 2.527 201 K HA 0.329 4.649 4.320 -0.001 0.000 0.260 201 K C 0.473 177.061 176.600 -0.019 0.000 0.937 201 K CA -0.705 55.573 56.287 -0.016 0.000 0.826 201 K CB 2.363 34.858 32.500 -0.008 0.000 1.359 201 K HN -0.066 nan 8.250 nan 0.000 0.434 202 L N 1.083 122.290 121.223 -0.025 0.000 1.941 202 L HA -0.287 4.053 4.340 -0.001 0.000 0.224 202 L C 2.370 179.230 176.870 -0.017 0.000 1.081 202 L CA 2.212 57.032 54.840 -0.033 0.000 0.784 202 L CB -0.519 41.523 42.059 -0.027 0.000 0.894 202 L HN 0.602 nan 8.230 nan 0.000 0.436 203 V N 0.323 120.235 119.914 -0.004 0.000 2.311 203 V HA -0.427 3.693 4.120 -0.001 0.000 0.259 203 V C 1.875 177.970 176.094 0.002 0.000 1.086 203 V CA 2.740 65.040 62.300 0.001 0.000 1.078 203 V CB -0.725 31.100 31.823 0.003 0.000 0.668 203 V HN 0.589 nan 8.190 nan 0.000 0.452 204 D N 0.559 120.959 120.400 -0.001 0.000 2.292 204 D HA -0.177 4.463 4.640 -0.001 0.000 0.205 204 D C 2.297 178.603 176.300 0.009 0.000 0.994 204 D CA 2.021 56.022 54.000 0.002 0.000 0.897 204 D CB -0.579 40.221 40.800 -0.001 0.000 0.907 204 D HN 0.851 nan 8.370 nan 0.000 0.467 205 T N -1.899 112.660 114.554 0.008 0.000 3.035 205 T HA -0.011 4.338 4.350 -0.001 0.000 0.268 205 T C 2.050 176.771 174.700 0.035 0.000 1.109 205 T CA 0.332 62.446 62.100 0.023 0.000 1.119 205 T CB -0.302 68.576 68.868 0.016 0.000 0.900 205 T HN 0.185 nan 8.240 nan 0.000 0.503 206 L N 1.837 123.073 121.223 0.021 0.000 2.109 206 L HA -0.032 4.307 4.340 -0.001 0.000 0.207 206 L C 3.202 180.087 176.870 0.025 0.000 1.086 206 L CA 1.353 56.205 54.840 0.020 0.000 0.760 206 L CB -0.774 41.291 42.059 0.010 0.000 0.910 206 L HN 0.447 nan 8.230 nan 0.000 0.437 207 S N 0.096 115.809 115.700 0.022 0.000 2.335 207 S HA -0.049 4.421 4.470 -0.001 0.000 0.217 207 S C 1.187 175.805 174.600 0.030 0.000 1.032 207 S CA 0.018 58.231 58.200 0.021 0.000 0.985 207 S CB -0.586 62.623 63.200 0.014 0.000 0.896 207 S HN 0.073 nan 8.310 nan 0.000 0.445 208 I N 3.352 123.942 120.570 0.032 0.000 3.017 208 I HA -0.028 4.141 4.170 -0.001 0.000 0.310 208 I C 0.913 177.068 176.117 0.062 0.000 1.220 208 I CA 0.538 61.861 61.300 0.038 0.000 1.450 208 I CB -0.548 37.472 38.000 0.033 0.000 1.317 208 I HN 0.598 nan 8.210 nan 0.000 0.570 209 E N 4.326 124.559 120.200 0.056 0.000 2.360 209 E HA -0.062 4.288 4.350 -0.001 0.000 0.269 209 E C 0.504 177.177 176.600 0.122 0.000 1.022 209 E CA -0.389 56.060 56.400 0.082 0.000 0.887 209 E CB 0.610 30.341 29.700 0.052 0.000 0.990 209 E HN 0.422 nan 8.360 nan 0.000 0.426 210 F N 4.862 124.815 119.950 0.004 0.000 2.026 210 F HA -0.251 4.276 4.527 -0.000 0.000 0.296 210 F C 1.524 177.328 175.800 0.007 0.000 1.133 210 F CA 2.135 60.139 58.000 0.006 0.000 1.188 210 F CB -0.209 38.796 39.000 0.008 0.000 0.968 210 F HN 0.633 nan 8.300 nan 0.000 0.476 211 D N 0.407 120.736 120.400 -0.117 0.000 2.239 211 D HA -0.256 4.383 4.640 -0.001 0.000 0.202 211 D C 2.192 178.377 176.300 -0.193 0.000 0.993 211 D CA 1.534 55.400 54.000 -0.223 0.000 0.874 211 D CB -0.468 40.302 40.800 -0.050 0.000 0.922 211 D HN 0.430 nan 8.370 nan 0.000 0.464 212 K N 0.351 120.686 120.400 -0.109 0.000 2.002 212 K HA -0.154 4.165 4.320 -0.001 0.000 0.209 212 K C 2.139 178.672 176.600 -0.111 0.000 1.048 212 K CA 0.685 56.925 56.287 -0.078 0.000 0.930 212 K CB -0.160 32.322 32.500 -0.030 0.000 0.714 212 K HN -0.028 nan 8.250 nan 0.000 0.438 213 L N 2.012 123.155 121.223 -0.134 0.000 2.093 213 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 213 L C 2.126 178.863 176.870 -0.220 0.000 1.085 213 L CA 1.641 56.403 54.840 -0.130 0.000 0.755 213 L CB -0.442 41.582 42.059 -0.058 0.000 0.904 213 L HN 0.130 nan 8.230 nan 0.000 0.435 214 K N -1.014 119.121 120.400 -0.442 0.000 2.585 214 K HA -0.087 4.233 4.320 -0.001 0.000 0.194 214 K C 1.372 177.835 176.600 -0.228 0.000 1.037 214 K CA 0.885 56.904 56.287 -0.447 0.000 0.964 214 K CB -0.129 31.940 32.500 -0.718 0.000 0.787 214 K HN 0.490 nan 8.250 nan 0.000 0.488 215 G N -0.207 108.493 108.800 -0.167 0.000 2.659 215 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.197 215 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.197 215 G C 0.974 175.831 174.900 -0.072 0.000 1.099 215 G CA -0.217 44.822 45.100 -0.103 0.000 0.759 215 G HN 0.191 nan 8.290 nan 0.000 0.715 216 M N 1.435 120.993 119.600 -0.069 0.000 2.562 216 M HA 0.364 4.844 4.480 -0.001 0.000 0.257 216 M C 1.808 178.086 176.300 -0.037 0.000 1.099 216 M CA 1.031 56.304 55.300 -0.045 0.000 1.099 216 M CB -0.126 32.452 32.600 -0.038 0.000 1.427 216 M HN 0.450 nan 8.290 nan 0.000 0.489 217 I N -5.543 115.001 120.570 -0.043 0.000 4.866 217 I HA 0.583 4.753 4.170 -0.001 0.000 0.325 217 I C 0.626 176.727 176.117 -0.027 0.000 1.240 217 I CA 0.092 61.376 61.300 -0.026 0.000 1.355 217 I CB 0.458 38.453 38.000 -0.008 0.000 1.395 217 I HN 0.095 nan 8.210 nan 0.000 0.479 218 G N 2.567 111.338 108.800 -0.048 0.000 2.627 218 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.680 218 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.680 218 G C -0.170 174.705 174.900 -0.041 0.000 1.341 218 G CA 0.071 45.146 45.100 -0.043 0.000 0.835 218 G HN 0.456 nan 8.290 nan 0.000 0.643 219 E N 0.924 121.097 120.200 -0.044 0.000 1.987 219 E HA -0.168 4.181 4.350 -0.001 0.000 0.214 219 E C 2.843 179.498 176.600 0.091 0.000 1.012 219 E CA 2.519 58.916 56.400 -0.004 0.000 0.881 219 E CB -0.270 29.449 29.700 0.031 0.000 0.806 219 E HN 1.449 nan 8.360 nan 0.000 0.516 220 A N 0.779 123.654 122.820 0.090 0.000 1.940 220 A HA -0.323 3.997 4.320 -0.001 0.000 0.221 220 A C 2.135 179.798 177.584 0.131 0.000 1.190 220 A CA 2.635 54.736 52.037 0.108 0.000 0.647 220 A CB -0.803 18.231 19.000 0.057 0.000 0.821 220 A HN 0.347 nan 8.150 nan 0.000 0.457 221 K N -0.337 120.116 120.400 0.089 0.000 2.211 221 K HA -0.002 4.318 4.320 -0.001 0.000 0.204 221 K C 1.838 178.546 176.600 0.180 0.000 1.047 221 K CA 1.553 57.907 56.287 0.111 0.000 0.935 221 K CB -0.385 32.145 32.500 0.051 0.000 0.728 221 K HN 0.428 nan 8.250 nan 0.000 0.452 222 A N 0.462 123.373 122.820 0.151 0.000 1.887 222 A HA -0.019 4.301 4.320 -0.001 0.000 0.212 222 A C 1.708 179.440 177.584 0.247 0.000 1.198 222 A CA 0.982 53.121 52.037 0.170 0.000 0.628 222 A CB -0.249 18.820 19.000 0.115 0.000 0.847 222 A HN 0.285 nan 8.150 nan 0.000 0.449 223 K N -1.101 119.480 120.400 0.302 0.000 2.218 223 K HA -0.214 4.106 4.320 -0.001 0.000 0.205 223 K C 1.854 178.580 176.600 0.210 0.000 1.046 223 K CA 1.758 58.194 56.287 0.248 0.000 0.933 223 K CB -0.425 32.206 32.500 0.219 0.000 0.728 223 K HN 0.625 nan 8.250 nan 0.000 0.454 224 Y N 1.758 122.117 120.300 0.099 0.000 2.092 224 Y HA -0.164 4.386 4.550 -0.001 0.000 0.282 224 Y C 1.898 177.820 175.900 0.036 0.000 1.126 224 Y CA 1.219 59.366 58.100 0.078 0.000 1.111 224 Y CB -0.572 37.911 38.460 0.039 0.000 0.987 224 Y HN -0.117 nan 8.280 nan 0.000 0.489 225 L N -0.187 120.900 121.223 -0.228 0.000 2.042 225 L HA -0.271 4.069 4.340 -0.001 0.000 0.210 225 L C 2.542 179.310 176.870 -0.170 0.000 1.076 225 L CA 1.626 56.268 54.840 -0.329 0.000 0.749 225 L CB -0.574 41.415 42.059 -0.116 0.000 0.893 225 L HN 0.355 nan 8.230 nan 0.000 0.432 226 I N -0.554 119.997 120.570 -0.031 0.000 2.076 226 I HA -0.373 3.797 4.170 -0.001 0.000 0.237 226 I C 2.805 178.917 176.117 -0.008 0.000 1.059 226 I CA 1.825 63.128 61.300 0.005 0.000 1.317 226 I CB -0.466 37.565 38.000 0.051 0.000 1.037 226 I HN 0.390 nan 8.210 nan 0.000 0.398 227 S N 1.269 116.982 115.700 0.021 0.000 2.374 227 S HA -0.229 4.241 4.470 -0.001 0.000 0.227 227 S C 2.071 176.716 174.600 0.075 0.000 1.037 227 S CA 1.251 59.495 58.200 0.072 0.000 1.024 227 S CB -1.066 62.232 63.200 0.164 0.000 0.861 227 S HN 0.413 nan 8.310 nan 0.000 0.456 228 L N 1.125 122.318 121.223 -0.049 0.000 2.042 228 L HA -0.118 4.222 4.340 -0.001 0.000 0.210 228 L C 3.156 180.049 176.870 0.038 0.000 1.076 228 L CA 1.379 56.163 54.840 -0.093 0.000 0.749 228 L CB -0.811 40.977 42.059 -0.452 0.000 0.893 228 L HN 0.537 nan 8.230 nan 0.000 0.432 229 A N -0.312 122.500 122.820 -0.015 0.000 1.873 229 A HA -0.181 4.138 4.320 -0.001 0.000 0.215 229 A C 2.216 179.816 177.584 0.027 0.000 1.186 229 A CA 1.179 53.224 52.037 0.014 0.000 0.616 229 A CB -0.430 18.564 19.000 -0.010 0.000 0.823 229 A HN 0.315 nan 8.150 nan 0.000 0.442 230 R N -1.062 119.451 120.500 0.022 0.000 2.339 230 R HA -0.034 4.306 4.340 -0.001 0.000 0.199 230 R C 0.361 176.675 176.300 0.024 0.000 1.018 230 R CA 0.767 56.877 56.100 0.017 0.000 1.036 230 R CB -0.252 30.055 30.300 0.010 0.000 0.899 230 R HN 0.632 nan 8.270 nan 0.000 0.473 231 D N 0.566 120.992 120.400 0.044 0.000 3.079 231 D HA -0.192 4.448 4.640 -0.001 0.000 0.214 231 D C -0.754 175.583 176.300 0.061 0.000 1.145 231 D CA 1.251 55.270 54.000 0.031 0.000 0.958 231 D CB -0.765 40.019 40.800 -0.026 0.000 1.117 231 D HN 0.461 nan 8.370 nan 0.000 0.416 232 E N 0.222 120.470 120.200 0.080 0.000 2.462 232 E HA 0.154 4.504 4.350 -0.001 0.000 0.255 232 E C -0.604 176.067 176.600 0.119 0.000 1.311 232 E CA -0.441 56.001 56.400 0.070 0.000 1.629 232 E CB 0.298 30.020 29.700 0.036 0.000 1.510 232 E HN 0.468 nan 8.360 nan 0.000 0.438 233 Y N 1.179 121.496 120.300 0.029 0.000 2.328 233 Y HA 0.330 4.880 4.550 -0.000 0.000 0.333 233 Y C -0.949 174.977 175.900 0.044 0.000 0.958 233 Y CA -0.754 57.374 58.100 0.047 0.000 1.167 233 Y CB 0.996 39.502 38.460 0.076 0.000 1.151 233 Y HN -0.031 nan 8.280 nan 0.000 0.470 234 N N 5.303 123.704 118.700 -0.498 0.000 2.707 234 N HA 0.103 4.842 4.740 -0.001 0.000 0.249 234 N C -1.593 173.641 175.510 -0.460 0.000 1.299 234 N CA -0.385 52.452 53.050 -0.355 0.000 0.769 234 N CB 0.554 38.955 38.487 -0.145 0.000 1.236 234 N HN 0.536 nan 8.380 nan 0.000 0.524 235 E N 2.936 122.766 120.200 -0.615 0.000 2.089 235 E HA 0.234 4.584 4.350 -0.001 0.000 0.284 235 E C -2.158 174.344 176.600 -0.164 0.000 1.023 235 E CA -1.931 54.251 56.400 -0.364 0.000 0.819 235 E CB 0.922 30.446 29.700 -0.293 0.000 1.076 235 E HN 0.422 nan 8.360 nan 0.000 0.396 236 P HA 0.053 nan 4.420 nan 0.000 0.265 236 P C -0.040 177.230 177.300 -0.051 0.000 1.193 236 P CA -0.340 62.724 63.100 -0.061 0.000 0.765 236 P CB 0.615 32.286 31.700 -0.049 0.000 0.823 237 I N 4.393 124.953 120.570 -0.017 0.000 2.460 237 I HA 0.045 4.214 4.170 -0.001 0.000 0.297 237 I C 1.332 177.453 176.117 0.008 0.000 1.139 237 I CA 0.729 62.029 61.300 0.000 0.000 1.340 237 I CB -0.726 37.312 38.000 0.064 0.000 1.444 237 I HN 0.074 nan 8.210 nan 0.000 0.557 238 R N 3.279 123.773 120.500 -0.010 0.000 2.720 238 R HA 0.464 4.804 4.340 -0.001 0.000 0.272 238 R C -0.203 176.107 176.300 0.016 0.000 0.991 238 R CA -0.795 55.307 56.100 0.002 0.000 1.010 238 R CB 1.384 31.678 30.300 -0.011 0.000 1.141 238 R HN 0.299 nan 8.270 nan 0.000 0.494 239 T N 3.718 118.285 114.554 0.022 0.000 2.769 239 T HA 0.132 4.481 4.350 -0.001 0.000 0.293 239 T C 0.611 175.326 174.700 0.026 0.000 0.931 239 T CA 0.099 62.216 62.100 0.029 0.000 1.139 239 T CB 0.077 68.960 68.868 0.025 0.000 0.881 239 T HN 0.094 nan 8.240 nan 0.000 0.532 240 R N 2.024 122.543 120.500 0.033 0.000 2.594 240 R HA 0.419 4.759 4.340 -0.001 0.000 0.272 240 R C -0.127 176.193 176.300 0.033 0.000 1.074 240 R CA -0.449 55.670 56.100 0.032 0.000 1.105 240 R CB 0.639 30.963 30.300 0.040 0.000 1.008 240 R HN 0.473 nan 8.270 nan 0.000 0.472 241 V N 0.528 120.465 119.914 0.038 0.000 2.443 241 V HA 0.402 4.522 4.120 -0.001 0.000 0.293 241 V C 0.010 176.148 176.094 0.073 0.000 1.021 241 V CA -1.425 60.903 62.300 0.046 0.000 0.848 241 V CB 1.607 33.458 31.823 0.046 0.000 0.998 241 V HN 0.586 nan 8.190 nan 0.000 0.424 242 R N 2.849 123.395 120.500 0.078 0.000 2.481 242 R HA 0.048 4.387 4.340 -0.001 0.000 0.291 242 R C 0.519 176.970 176.300 0.253 0.000 0.934 242 R CA 0.419 56.598 56.100 0.132 0.000 1.116 242 R CB 0.259 30.617 30.300 0.096 0.000 0.895 242 R HN 0.800 nan 8.270 nan 0.000 0.410 243 K N 0.171 120.697 120.400 0.210 0.000 2.348 243 K HA 0.045 4.365 4.320 -0.001 0.000 0.194 243 K C 0.064 176.697 176.600 0.055 0.000 1.052 243 K CA 0.447 56.820 56.287 0.143 0.000 1.004 243 K CB 0.550 33.067 32.500 0.028 0.000 0.873 243 K HN 0.736 nan 8.250 nan 0.000 0.523 244 S N -0.762 115.059 115.700 0.202 0.000 2.550 244 S HA 0.610 5.079 4.470 -0.001 0.000 0.270 244 S C -1.016 173.777 174.600 0.323 0.000 1.145 244 S CA -1.022 57.262 58.200 0.140 0.000 0.852 244 S CB 1.326 64.508 63.200 -0.030 0.000 1.119 244 S HN -0.011 nan 8.310 nan 0.000 0.465 245 I N 1.307 122.123 120.570 0.411 0.000 2.569 245 I HA 0.749 4.919 4.170 -0.001 0.000 0.290 245 I C 0.310 176.583 176.117 0.260 0.000 1.088 245 I CA -0.454 61.025 61.300 0.300 0.000 1.047 245 I CB 2.181 40.347 38.000 0.277 0.000 1.237 245 I HN 1.065 nan 8.210 nan 0.000 0.421 246 G N 3.894 112.789 108.800 0.159 0.000 2.663 246 G HA2 0.802 4.762 3.960 -0.001 0.000 0.299 246 G HA3 0.802 4.762 3.960 -0.001 0.000 0.299 246 G C -2.002 172.955 174.900 0.095 0.000 1.372 246 G CA -0.645 44.517 45.100 0.103 0.000 0.781 246 G HN 0.487 nan 8.290 nan 0.000 0.491 247 R N -0.928 119.612 120.500 0.067 0.000 2.584 247 R HA 0.716 5.056 4.340 -0.001 0.000 0.276 247 R C -2.009 174.316 176.300 0.041 0.000 1.046 247 R CA -0.682 55.461 56.100 0.073 0.000 0.906 247 R CB 1.556 31.922 30.300 0.110 0.000 1.215 247 R HN 0.766 nan 8.270 nan 0.000 0.449 248 I N 4.983 125.575 120.570 0.036 0.000 2.582 248 I HA 0.669 4.839 4.170 -0.001 0.000 0.292 248 I C -1.076 175.053 176.117 0.020 0.000 1.066 248 I CA -0.977 60.333 61.300 0.016 0.000 1.053 248 I CB 1.954 39.954 38.000 -0.000 0.000 1.241 248 I HN 0.595 nan 8.210 nan 0.000 0.421 249 V N 2.383 122.303 119.914 0.010 0.000 3.019 249 V HA 0.675 4.794 4.120 -0.001 0.000 0.317 249 V C -0.275 175.775 176.094 -0.073 0.000 1.094 249 V CA -0.417 61.886 62.300 0.005 0.000 1.000 249 V CB 1.619 33.485 31.823 0.073 0.000 1.060 249 V HN 0.718 nan 8.190 nan 0.000 0.443 250 T N 4.381 118.882 114.554 -0.088 0.000 2.758 250 T HA 0.547 4.897 4.350 -0.001 0.000 0.285 250 T C -0.027 174.496 174.700 -0.295 0.000 0.981 250 T CA -0.246 61.759 62.100 -0.158 0.000 0.965 250 T CB 0.808 69.618 68.868 -0.098 0.000 0.927 250 T HN 0.687 nan 8.240 nan 0.000 0.448 251 M N 2.820 122.104 119.600 -0.527 0.000 2.243 251 M HA 0.211 4.691 4.480 -0.001 0.000 0.341 251 M C 1.327 177.440 176.300 -0.312 0.000 1.130 251 M CA -0.426 54.315 55.300 -0.931 0.000 1.162 251 M CB 0.666 32.695 32.600 -0.951 0.000 1.497 251 M HN 0.397 nan 8.290 nan 0.000 0.456 252 K N 1.034 121.403 120.400 -0.051 0.000 2.280 252 K HA -0.043 4.277 4.320 -0.001 0.000 0.202 252 K C 0.268 176.899 176.600 0.051 0.000 1.047 252 K CA 1.106 57.436 56.287 0.072 0.000 0.942 252 K CB -0.028 32.576 32.500 0.174 0.000 0.739 252 K HN 0.484 nan 8.250 nan 0.000 0.457 253 R N 0.185 120.696 120.500 0.019 0.000 2.522 253 R HA 0.180 4.520 4.340 -0.001 0.000 0.273 253 R C -1.541 174.754 176.300 -0.008 0.000 1.133 253 R CA -0.623 55.494 56.100 0.028 0.000 0.969 253 R CB 0.648 30.985 30.300 0.062 0.000 1.235 253 R HN -0.112 nan 8.270 nan 0.000 0.433 254 N N 1.322 120.016 118.700 -0.011 0.000 2.292 254 N HA 0.076 4.815 4.740 -0.001 0.000 0.242 254 N C -0.765 174.741 175.510 -0.007 0.000 1.243 254 N CA 0.745 53.782 53.050 -0.023 0.000 0.851 254 N CB 1.125 39.605 38.487 -0.010 0.000 1.093 254 N HN 0.610 nan 8.380 nan 0.000 0.450 255 S N 0.521 116.213 115.700 -0.013 0.000 2.636 255 S HA 0.553 5.022 4.470 -0.001 0.000 0.268 255 S C -0.534 174.065 174.600 -0.002 0.000 1.159 255 S CA -0.750 57.452 58.200 0.003 0.000 0.815 255 S CB 0.987 64.201 63.200 0.022 0.000 1.130 255 S HN 0.598 nan 8.310 nan 0.000 0.471 256 R N 0.593 121.096 120.500 0.005 0.000 2.538 256 R HA 0.269 4.609 4.340 -0.001 0.000 0.372 256 R C -0.298 176.006 176.300 0.007 0.000 0.950 256 R CA -0.345 55.757 56.100 0.003 0.000 1.168 256 R CB 0.364 30.666 30.300 0.003 0.000 1.542 256 R HN 0.561 nan 8.270 nan 0.000 0.536 257 N N 1.886 120.593 118.700 0.012 0.000 2.422 257 N HA -0.001 4.738 4.740 -0.001 0.000 0.264 257 N C 0.942 176.457 175.510 0.009 0.000 1.063 257 N CA 0.011 53.069 53.050 0.013 0.000 0.959 257 N CB 1.444 39.942 38.487 0.018 0.000 1.087 257 N HN 0.051 nan 8.380 nan 0.000 0.483 258 L N 4.538 125.765 121.223 0.006 0.000 2.013 258 L HA -0.150 4.189 4.340 -0.001 0.000 0.212 258 L C 1.938 178.796 176.870 -0.020 0.000 1.073 258 L CA 1.815 56.653 54.840 -0.003 0.000 0.753 258 L CB -0.187 41.878 42.059 0.011 0.000 0.890 258 L HN 0.585 nan 8.230 nan 0.000 0.432 259 E N -0.367 119.829 120.200 -0.007 0.000 2.150 259 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 259 E C 2.137 178.721 176.600 -0.028 0.000 0.985 259 E CA 1.017 57.407 56.400 -0.016 0.000 0.814 259 E CB -0.211 29.493 29.700 0.006 0.000 0.752 259 E HN 0.640 nan 8.360 nan 0.000 0.466 260 E N 0.315 120.517 120.200 0.003 0.000 2.110 260 E HA -0.115 4.235 4.350 -0.001 0.000 0.193 260 E C 2.184 178.837 176.600 0.088 0.000 0.988 260 E CA 0.679 57.101 56.400 0.037 0.000 0.804 260 E CB -0.019 29.720 29.700 0.064 0.000 0.745 260 E HN 0.283 nan 8.360 nan 0.000 0.458 261 I N 0.555 121.159 120.570 0.057 0.000 2.400 261 I HA -0.192 3.977 4.170 -0.001 0.000 0.248 261 I C 2.342 178.424 176.117 -0.058 0.000 1.109 261 I CA 0.563 61.919 61.300 0.094 0.000 1.425 261 I CB -0.147 37.860 38.000 0.011 0.000 1.094 261 I HN -0.047 nan 8.210 nan 0.000 0.425 262 K N 0.977 121.231 120.400 -0.244 0.000 2.066 262 K HA -0.240 4.080 4.320 -0.001 0.000 0.221 262 K C -0.518 175.593 176.600 -0.816 0.000 1.056 262 K CA 2.612 58.488 56.287 -0.684 0.000 0.950 262 K CB -1.340 30.821 32.500 -0.565 0.000 0.726 262 K HN 0.296 nan 8.250 nan 0.000 0.456 263 P HA -0.201 nan 4.420 nan 0.000 0.216 263 P C 1.031 178.218 177.300 -0.188 0.000 1.150 263 P CA 1.689 64.645 63.100 -0.239 0.000 0.837 263 P CB -0.094 31.452 31.700 -0.257 0.000 0.786 264 Y N -0.188 120.042 120.300 -0.117 0.000 2.163 264 Y HA -0.106 4.444 4.550 -0.001 0.000 0.288 264 Y C 2.659 178.521 175.900 -0.065 0.000 1.136 264 Y CA 0.803 58.865 58.100 -0.063 0.000 1.147 264 Y CB -1.500 36.923 38.460 -0.062 0.000 0.987 264 Y HN -0.157 nan 8.280 nan 0.000 0.509 265 L N -0.785 120.444 121.223 0.010 0.000 2.042 265 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 265 L C 1.915 178.838 176.870 0.089 0.000 1.076 265 L CA 1.804 56.628 54.840 -0.026 0.000 0.749 265 L CB -1.089 40.880 42.059 -0.150 0.000 0.893 265 L HN 0.071 nan 8.230 nan 0.000 0.432 266 F N 0.073 120.019 119.950 -0.006 0.000 2.186 266 F HA -0.094 4.432 4.527 -0.001 0.000 0.299 266 F C 2.780 178.575 175.800 -0.009 0.000 1.090 266 F CA 1.338 59.294 58.000 -0.075 0.000 1.307 266 F CB -1.233 37.831 39.000 0.106 0.000 1.019 266 F HN 0.185 nan 8.300 nan 0.000 0.489 267 R N 0.695 121.325 120.500 0.217 0.000 2.091 267 R HA -0.160 4.179 4.340 -0.001 0.000 0.238 267 R C 2.287 178.672 176.300 0.142 0.000 1.136 267 R CA 1.389 57.581 56.100 0.154 0.000 0.959 267 R CB -0.437 29.933 30.300 0.118 0.000 0.856 267 R HN 0.233 nan 8.270 nan 0.000 0.437 268 A N 1.408 124.309 122.820 0.135 0.000 1.858 268 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 268 A C 2.208 179.887 177.584 0.159 0.000 1.190 268 A CA 1.573 53.684 52.037 0.123 0.000 0.617 268 A CB -0.614 18.437 19.000 0.085 0.000 0.827 268 A HN 0.358 nan 8.150 nan 0.000 0.443 269 I N -0.277 120.379 120.570 0.143 0.000 2.151 269 I HA -0.294 3.876 4.170 -0.001 0.000 0.243 269 I C 2.577 178.837 176.117 0.238 0.000 1.080 269 I CA 1.537 62.956 61.300 0.198 0.000 1.339 269 I CB -0.482 37.490 38.000 -0.047 0.000 1.039 269 I HN 0.344 nan 8.210 nan 0.000 0.409 270 E N 0.909 121.207 120.200 0.164 0.000 2.049 270 E HA -0.264 4.086 4.350 -0.001 0.000 0.198 270 E C 2.073 178.810 176.600 0.229 0.000 1.007 270 E CA 1.610 58.121 56.400 0.185 0.000 0.809 270 E CB -0.367 29.421 29.700 0.147 0.000 0.749 270 E HN 0.586 nan 8.360 nan 0.000 0.450 271 E N 0.443 120.765 120.200 0.203 0.000 2.110 271 E HA -0.103 4.247 4.350 -0.001 0.000 0.193 271 E C 2.248 179.028 176.600 0.300 0.000 0.988 271 E CA 1.042 57.581 56.400 0.230 0.000 0.804 271 E CB 0.006 29.808 29.700 0.169 0.000 0.745 271 E HN 0.064 nan 8.360 nan 0.000 0.458 272 S N 0.458 116.343 115.700 0.308 0.000 2.343 272 S HA -0.183 4.287 4.470 -0.001 0.000 0.219 272 S C 1.795 176.568 174.600 0.288 0.000 1.033 272 S CA 0.998 59.414 58.200 0.360 0.000 1.014 272 S CB -0.498 63.042 63.200 0.567 0.000 0.915 272 S HN 0.311 nan 8.310 nan 0.000 0.435 273 Y N 0.484 120.888 120.300 0.173 0.000 2.315 273 Y HA -0.208 4.342 4.550 -0.001 0.000 0.288 273 Y C 2.258 178.195 175.900 0.061 0.000 1.154 273 Y CA 1.393 59.490 58.100 -0.005 0.000 1.229 273 Y CB -0.341 38.102 38.460 -0.027 0.000 0.980 273 Y HN 0.374 nan 8.280 nan 0.000 0.540 274 Y N 0.773 121.164 120.300 0.152 0.000 2.184 274 Y HA -0.163 4.387 4.550 -0.000 0.000 0.290 274 Y C 2.004 177.919 175.900 0.026 0.000 1.129 274 Y CA 1.715 59.867 58.100 0.087 0.000 1.144 274 Y CB -0.345 38.166 38.460 0.085 0.000 0.995 274 Y HN -0.064 nan 8.280 nan 0.000 0.513 275 K N 0.159 120.529 120.400 -0.051 0.000 2.283 275 K HA -0.100 4.219 4.320 -0.001 0.000 0.202 275 K C 2.057 178.532 176.600 -0.209 0.000 1.048 275 K CA 1.150 57.336 56.287 -0.170 0.000 0.948 275 K CB -0.268 32.238 32.500 0.010 0.000 0.742 275 K HN 0.375 nan 8.250 nan 0.000 0.458 276 L N 0.916 122.013 121.223 -0.208 0.000 2.079 276 L HA -0.279 4.061 4.340 -0.001 0.000 0.210 276 L C 1.309 177.971 176.870 -0.348 0.000 1.081 276 L CA 1.209 55.847 54.840 -0.336 0.000 0.752 276 L CB -0.452 41.310 42.059 -0.495 0.000 0.896 276 L HN 0.401 nan 8.230 nan 0.000 0.433 277 D N -1.383 118.844 120.400 -0.288 0.000 4.578 277 D HA -0.265 4.374 4.640 -0.001 0.000 0.137 277 D C 1.277 177.462 176.300 -0.190 0.000 0.706 277 D CA 2.004 55.860 54.000 -0.240 0.000 1.148 277 D CB -0.671 39.986 40.800 -0.237 0.000 0.624 277 D HN 0.022 nan 8.370 nan 0.000 0.567 278 K N 0.939 121.225 120.400 -0.191 0.000 2.308 278 K HA 0.183 4.502 4.320 -0.001 0.000 0.197 278 K C 0.708 177.201 176.600 -0.179 0.000 1.049 278 K CA 0.168 56.368 56.287 -0.145 0.000 0.991 278 K CB 0.008 32.442 32.500 -0.110 0.000 0.836 278 K HN 0.347 nan 8.250 nan 0.000 0.500 279 R N 1.562 121.894 120.500 -0.281 0.000 2.566 279 R HA 0.012 4.352 4.340 -0.001 0.000 0.273 279 R C 0.032 176.193 176.300 -0.232 0.000 0.981 279 R CA 0.407 56.308 56.100 -0.331 0.000 1.091 279 R CB 0.206 30.045 30.300 -0.769 0.000 0.924 279 R HN -0.044 nan 8.270 nan 0.000 0.411 280 I N 5.738 126.269 120.570 -0.065 0.000 2.354 280 I HA 0.251 4.421 4.170 -0.001 0.000 0.286 280 I C -2.056 174.118 176.117 0.096 0.000 1.007 280 I CA -3.010 58.269 61.300 -0.035 0.000 1.167 280 I CB 1.362 39.361 38.000 -0.002 0.000 1.320 280 I HN 0.386 nan 8.210 nan 0.000 0.458 281 P HA 0.302 nan 4.420 nan 0.000 0.285 281 P C -0.075 177.228 177.300 0.005 0.000 1.259 281 P CA -0.451 62.706 63.100 0.095 0.000 0.794 281 P CB 1.841 33.593 31.700 0.086 0.000 0.940 282 K N 1.376 121.784 120.400 0.013 0.000 2.352 282 K HA 0.276 4.596 4.320 -0.001 0.000 0.194 282 K C 0.765 177.405 176.600 0.066 0.000 1.038 282 K CA 0.214 56.514 56.287 0.021 0.000 1.023 282 K CB 0.593 33.128 32.500 0.058 0.000 0.840 282 K HN 0.532 nan 8.250 nan 0.000 0.519 283 A N 1.430 124.288 122.820 0.064 0.000 2.374 283 A HA 0.687 5.006 4.320 -0.001 0.000 0.317 283 A C -1.262 176.421 177.584 0.166 0.000 1.094 283 A CA -0.680 51.431 52.037 0.123 0.000 0.765 283 A CB 1.161 20.223 19.000 0.103 0.000 1.268 283 A HN 0.216 nan 8.150 nan 0.000 0.438 284 I N 1.049 121.708 120.570 0.148 0.000 2.656 284 I HA 0.594 4.764 4.170 -0.001 0.000 0.292 284 I C -1.690 174.406 176.117 -0.034 0.000 1.144 284 I CA -0.467 60.876 61.300 0.071 0.000 1.038 284 I CB 1.885 39.950 38.000 0.107 0.000 1.244 284 I HN 0.865 nan 8.210 nan 0.000 0.420 285 H N 4.636 123.608 119.070 -0.164 0.000 2.690 285 H HA 0.593 5.149 4.556 -0.001 0.000 0.368 285 H C -1.100 174.143 175.328 -0.142 0.000 1.150 285 H CA -0.368 55.613 56.048 -0.111 0.000 1.174 285 H CB 2.499 32.203 29.762 -0.097 0.000 1.684 285 H HN 0.254 nan 8.280 nan 0.000 0.538 286 V N 4.130 124.046 119.914 0.004 0.000 2.334 286 V HA 0.268 4.387 4.120 -0.001 0.000 0.281 286 V C -0.472 175.628 176.094 0.010 0.000 1.016 286 V CA -0.632 61.658 62.300 -0.018 0.000 0.832 286 V CB 1.276 33.089 31.823 -0.017 0.000 0.999 286 V HN 0.470 nan 8.190 nan 0.000 0.439 287 V N 4.422 124.333 119.914 -0.006 0.000 2.472 287 V HA 0.865 4.985 4.120 -0.001 0.000 0.290 287 V C 0.351 176.436 176.094 -0.015 0.000 1.037 287 V CA -0.307 61.991 62.300 -0.003 0.000 0.908 287 V CB 1.663 33.477 31.823 -0.014 0.000 0.985 287 V HN 0.963 nan 8.190 nan 0.000 0.454 288 A N 4.270 127.082 122.820 -0.014 0.000 2.414 288 A HA 0.865 5.185 4.320 -0.001 0.000 0.306 288 A C -1.143 176.427 177.584 -0.023 0.000 1.054 288 A CA -0.558 51.465 52.037 -0.023 0.000 0.724 288 A CB 1.994 20.981 19.000 -0.021 0.000 1.267 288 A HN 0.607 nan 8.150 nan 0.000 0.418 289 V N 2.720 122.615 119.914 -0.033 0.000 2.357 289 V HA 0.471 4.591 4.120 -0.001 0.000 0.284 289 V C 0.796 176.871 176.094 -0.032 0.000 1.018 289 V CA -0.085 62.197 62.300 -0.030 0.000 0.841 289 V CB 1.374 33.177 31.823 -0.033 0.000 0.991 289 V HN 1.133 nan 8.190 nan 0.000 0.437 290 T N 1.095 115.635 114.554 -0.023 0.000 2.726 290 T HA 0.156 4.506 4.350 -0.001 0.000 0.294 290 T C 1.301 175.989 174.700 -0.020 0.000 1.013 290 T CA 0.103 62.191 62.100 -0.021 0.000 0.996 290 T CB 0.687 69.546 68.868 -0.014 0.000 1.016 290 T HN 0.827 nan 8.240 nan 0.000 0.529 291 E N 0.809 121.000 120.200 -0.016 0.000 2.160 291 E HA -0.214 4.135 4.350 -0.001 0.000 0.195 291 E C 0.653 177.249 176.600 -0.007 0.000 0.991 291 E CA 1.518 57.912 56.400 -0.011 0.000 0.810 291 E CB -0.435 29.261 29.700 -0.007 0.000 0.742 291 E HN 0.829 nan 8.360 nan 0.000 0.466 292 D N 1.313 121.709 120.400 -0.007 0.000 2.395 292 D HA 0.077 4.716 4.640 -0.001 0.000 0.226 292 D C 0.915 177.211 176.300 -0.007 0.000 1.146 292 D CA -0.229 53.768 54.000 -0.005 0.000 0.830 292 D CB -0.168 40.629 40.800 -0.005 0.000 0.958 292 D HN 0.300 nan 8.370 nan 0.000 0.501 293 L N -1.087 120.130 121.223 -0.009 0.000 4.625 293 L HA -0.246 4.093 4.340 -0.001 0.000 0.428 293 L C 0.242 177.106 176.870 -0.011 0.000 1.129 293 L CA 0.624 55.457 54.840 -0.011 0.000 0.978 293 L CB -1.597 40.457 42.059 -0.008 0.000 2.043 293 L HN 0.150 nan 8.230 nan 0.000 0.847 294 D N 0.609 121.003 120.400 -0.011 0.000 2.358 294 D HA 0.574 5.214 4.640 -0.001 0.000 0.244 294 D C 0.053 176.346 176.300 -0.012 0.000 1.163 294 D CA 0.037 54.031 54.000 -0.010 0.000 0.945 294 D CB 0.805 41.600 40.800 -0.008 0.000 1.152 294 D HN 0.174 nan 8.370 nan 0.000 0.451 295 I N 2.017 122.581 120.570 -0.011 0.000 2.418 295 I HA 0.284 4.453 4.170 -0.001 0.000 0.287 295 I C -0.283 175.830 176.117 -0.006 0.000 1.008 295 I CA -0.960 60.334 61.300 -0.011 0.000 1.104 295 I CB 1.694 39.686 38.000 -0.013 0.000 1.264 295 I HN 0.154 nan 8.210 nan 0.000 0.438 296 V N 2.643 122.555 119.914 -0.004 0.000 3.074 296 V HA 1.003 5.123 4.120 -0.001 0.000 0.314 296 V C -0.368 175.732 176.094 0.012 0.000 1.117 296 V CA -0.587 61.715 62.300 0.004 0.000 1.014 296 V CB 1.906 33.730 31.823 0.002 0.000 1.057 296 V HN 0.874 nan 8.190 nan 0.000 0.438 297 S N 1.490 117.207 115.700 0.027 0.000 2.608 297 S HA 0.704 5.174 4.470 -0.001 0.000 0.285 297 S C -1.548 173.091 174.600 0.065 0.000 1.108 297 S CA -1.109 57.120 58.200 0.049 0.000 0.858 297 S CB 1.921 65.166 63.200 0.075 0.000 1.077 297 S HN 1.064 nan 8.310 nan 0.000 0.450 298 R N 1.075 121.596 120.500 0.034 0.000 2.532 298 R HA 0.760 5.100 4.340 -0.001 0.000 0.297 298 R C 0.343 176.538 176.300 -0.175 0.000 0.984 298 R CA -0.274 55.810 56.100 -0.025 0.000 0.884 298 R CB 1.712 31.997 30.300 -0.024 0.000 1.182 298 R HN 0.982 nan 8.270 nan 0.000 0.442 299 G N 0.800 109.324 108.800 -0.461 0.000 2.971 299 G HA2 0.763 4.722 3.960 -0.001 0.000 0.235 299 G HA3 0.763 4.722 3.960 -0.001 0.000 0.235 299 G C -1.006 173.660 174.900 -0.391 0.000 1.351 299 G CA -0.511 44.019 45.100 -0.950 0.000 1.039 299 G HN 0.375 nan 8.290 nan 0.000 0.563 300 R N -1.463 118.883 120.500 -0.255 0.000 2.907 300 R HA 0.367 4.707 4.340 -0.001 0.000 0.246 300 R C -1.868 174.547 176.300 0.193 0.000 1.082 300 R CA -0.434 55.677 56.100 0.018 0.000 1.003 300 R CB 1.282 31.673 30.300 0.152 0.000 1.261 300 R HN 0.588 nan 8.270 nan 0.000 0.474 301 T N 4.511 119.153 114.554 0.146 0.000 2.788 301 T HA 0.477 4.827 4.350 -0.001 0.000 0.296 301 T C -0.750 174.083 174.700 0.222 0.000 1.009 301 T CA -0.316 61.914 62.100 0.217 0.000 0.949 301 T CB 0.163 69.099 68.868 0.112 0.000 0.946 301 T HN 0.178 nan 8.240 nan 0.000 0.453 302 F N 4.291 124.247 119.950 0.009 0.000 2.379 302 F HA 0.372 4.899 4.527 -0.001 0.000 0.332 302 F C -1.070 174.785 175.800 0.092 0.000 1.096 302 F CA -2.622 55.403 58.000 0.041 0.000 1.105 302 F CB 0.782 39.706 39.000 -0.126 0.000 1.189 302 F HN 0.323 nan 8.300 nan 0.000 0.515 303 P HA -0.055 nan 4.420 nan 0.000 0.242 303 P C -0.418 177.087 177.300 0.341 0.000 1.197 303 P CA 1.105 64.368 63.100 0.271 0.000 0.765 303 P CB -0.153 31.659 31.700 0.185 0.000 0.936 304 H N -2.508 116.667 119.070 0.174 0.000 2.931 304 H HA 0.567 5.122 4.556 -0.001 0.000 0.331 304 H C -0.197 175.201 175.328 0.117 0.000 1.273 304 H CA -1.166 54.959 56.048 0.129 0.000 1.171 304 H CB 0.267 30.100 29.762 0.119 0.000 1.898 304 H HN -0.178 nan 8.280 nan 0.000 0.562 305 G N 1.162 109.990 108.800 0.045 0.000 2.354 305 G HA2 0.389 4.349 3.960 -0.001 0.000 0.266 305 G HA3 0.389 4.349 3.960 -0.001 0.000 0.266 305 G C 0.211 175.020 174.900 -0.151 0.000 1.242 305 G CA -0.630 44.444 45.100 -0.043 0.000 0.923 305 G HN 0.529 nan 8.290 nan 0.000 0.476 306 I N 2.762 123.197 120.570 -0.225 0.000 2.581 306 I HA 0.040 4.210 4.170 -0.001 0.000 0.285 306 I C 1.245 177.347 176.117 -0.026 0.000 1.129 306 I CA -0.126 61.020 61.300 -0.257 0.000 1.397 306 I CB 0.251 38.081 38.000 -0.284 0.000 1.399 306 I HN 0.507 nan 8.210 nan 0.000 0.537 307 S N 5.429 121.121 115.700 -0.014 0.000 2.632 307 S HA 0.202 4.672 4.470 -0.001 0.000 0.267 307 S C 1.011 175.548 174.600 -0.105 0.000 1.276 307 S CA -0.747 57.469 58.200 0.027 0.000 0.998 307 S CB 1.773 64.971 63.200 -0.004 0.000 0.953 307 S HN 0.749 nan 8.310 nan 0.000 0.547 308 K N 0.518 120.632 120.400 -0.476 0.000 2.063 308 K HA -0.165 4.155 4.320 -0.001 0.000 0.208 308 K C 1.586 178.117 176.600 -0.116 0.000 1.048 308 K CA 1.873 57.737 56.287 -0.705 0.000 0.928 308 K CB -0.327 31.648 32.500 -0.875 0.000 0.713 308 K HN 0.711 nan 8.250 nan 0.000 0.442 309 E N -0.356 119.778 120.200 -0.111 0.000 2.204 309 E HA -0.098 4.251 4.350 -0.001 0.000 0.194 309 E C 1.708 178.323 176.600 0.025 0.000 0.989 309 E CA 1.500 57.864 56.400 -0.060 0.000 0.824 309 E CB -0.080 29.555 29.700 -0.109 0.000 0.756 309 E HN 0.330 nan 8.360 nan 0.000 0.477 310 T N 0.011 114.570 114.554 0.008 0.000 2.978 310 T HA 0.047 4.397 4.350 -0.001 0.000 0.262 310 T C 1.948 176.661 174.700 0.022 0.000 1.063 310 T CA 0.807 62.914 62.100 0.012 0.000 1.140 310 T CB -0.164 68.672 68.868 -0.053 0.000 0.886 310 T HN 0.261 nan 8.240 nan 0.000 0.470 311 A N 0.874 123.725 122.820 0.051 0.000 1.865 311 A HA -0.096 4.223 4.320 -0.001 0.000 0.217 311 A C 1.963 179.608 177.584 0.102 0.000 1.191 311 A CA 1.409 53.518 52.037 0.120 0.000 0.623 311 A CB -1.185 17.960 19.000 0.241 0.000 0.826 311 A HN 0.497 nan 8.150 nan 0.000 0.444 312 Y N 0.217 120.515 120.300 -0.003 0.000 2.014 312 Y HA -0.287 4.262 4.550 -0.001 0.000 0.272 312 Y C 3.261 179.193 175.900 0.052 0.000 1.164 312 Y CA 2.248 60.312 58.100 -0.059 0.000 1.114 312 Y CB -0.719 37.562 38.460 -0.297 0.000 0.961 312 Y HN 0.386 nan 8.280 nan 0.000 0.489 313 S N -0.358 115.466 115.700 0.206 0.000 2.368 313 S HA -0.318 4.151 4.470 -0.001 0.000 0.226 313 S C 2.069 176.772 174.600 0.171 0.000 1.044 313 S CA 1.971 60.270 58.200 0.166 0.000 1.062 313 S CB -0.432 62.844 63.200 0.128 0.000 0.931 313 S HN 0.488 nan 8.310 nan 0.000 0.440 314 E N 1.012 121.308 120.200 0.160 0.000 2.106 314 E HA -0.070 4.280 4.350 -0.001 0.000 0.192 314 E C 2.357 179.042 176.600 0.141 0.000 0.984 314 E CA 1.506 58.010 56.400 0.174 0.000 0.806 314 E CB -0.521 29.289 29.700 0.184 0.000 0.750 314 E HN 0.706 nan 8.360 nan 0.000 0.458 315 S N -0.766 115.013 115.700 0.133 0.000 2.370 315 S HA -0.164 4.306 4.470 -0.001 0.000 0.226 315 S C 2.126 176.803 174.600 0.129 0.000 1.033 315 S CA 1.423 59.690 58.200 0.112 0.000 1.011 315 S CB -0.775 62.498 63.200 0.120 0.000 0.852 315 S HN 0.114 nan 8.310 nan 0.000 0.457 316 V N 2.438 122.468 119.914 0.193 0.000 2.295 316 V HA -0.181 3.939 4.120 -0.001 0.000 0.246 316 V C 2.744 178.904 176.094 0.111 0.000 1.049 316 V CA 2.179 64.583 62.300 0.173 0.000 1.024 316 V CB -0.814 31.151 31.823 0.235 0.000 0.648 316 V HN 0.509 nan 8.190 nan 0.000 0.447 317 K N -0.012 120.456 120.400 0.113 0.000 1.985 317 K HA -0.132 4.187 4.320 -0.001 0.000 0.210 317 K C 2.169 178.807 176.600 0.062 0.000 1.047 317 K CA 1.548 57.887 56.287 0.086 0.000 0.932 317 K CB -0.481 32.078 32.500 0.098 0.000 0.716 317 K HN 0.297 nan 8.250 nan 0.000 0.439 318 L N 0.965 122.225 121.223 0.062 0.000 2.081 318 L HA -0.241 4.098 4.340 -0.001 0.000 0.212 318 L C 2.511 179.394 176.870 0.022 0.000 1.080 318 L CA 0.674 55.533 54.840 0.031 0.000 0.754 318 L CB -0.482 41.586 42.059 0.015 0.000 0.893 318 L HN 0.225 nan 8.230 nan 0.000 0.433 319 L N -0.355 120.886 121.223 0.029 0.000 2.005 319 L HA -0.228 4.111 4.340 -0.001 0.000 0.207 319 L C 2.528 179.408 176.870 0.017 0.000 1.072 319 L CA 1.728 56.578 54.840 0.017 0.000 0.744 319 L CB -0.690 41.377 42.059 0.013 0.000 0.895 319 L HN 0.232 nan 8.230 nan 0.000 0.433 320 Q N -0.346 119.470 119.800 0.027 0.000 2.112 320 Q HA -0.310 4.030 4.340 -0.001 0.000 0.206 320 Q C 2.301 178.313 176.000 0.019 0.000 0.987 320 Q CA 2.173 57.991 55.803 0.025 0.000 0.858 320 Q CB -0.303 28.455 28.738 0.035 0.000 0.905 320 Q HN 0.504 nan 8.270 nan 0.000 0.420 321 K N 0.397 120.808 120.400 0.019 0.000 2.281 321 K HA -0.143 4.177 4.320 -0.001 0.000 0.203 321 K C 1.737 178.342 176.600 0.008 0.000 1.046 321 K CA 0.842 57.136 56.287 0.013 0.000 0.938 321 K CB 0.070 32.576 32.500 0.011 0.000 0.737 321 K HN 0.190 nan 8.250 nan 0.000 0.458 322 I N 0.257 120.831 120.570 0.008 0.000 2.270 322 I HA -0.229 3.941 4.170 -0.001 0.000 0.239 322 I C 1.965 178.084 176.117 0.003 0.000 1.080 322 I CA 0.649 61.951 61.300 0.004 0.000 1.383 322 I CB -0.186 37.816 38.000 0.002 0.000 1.097 322 I HN 0.069 nan 8.210 nan 0.000 0.420 323 L N 0.647 121.872 121.223 0.004 0.000 2.081 323 L HA -0.266 4.074 4.340 -0.001 0.000 0.212 323 L C 2.558 179.431 176.870 0.005 0.000 1.080 323 L CA 1.588 56.429 54.840 0.003 0.000 0.754 323 L CB -0.701 41.361 42.059 0.004 0.000 0.893 323 L HN 0.375 nan 8.230 nan 0.000 0.433 324 E N 0.361 120.565 120.200 0.007 0.000 2.031 324 E HA -0.228 4.122 4.350 -0.001 0.000 0.193 324 E C 1.937 178.540 176.600 0.006 0.000 0.994 324 E CA 1.530 57.935 56.400 0.008 0.000 0.800 324 E CB 0.161 29.867 29.700 0.010 0.000 0.752 324 E HN 0.535 nan 8.360 nan 0.000 0.447 325 E N 0.570 120.773 120.200 0.005 0.000 2.021 325 E HA -0.054 4.296 4.350 -0.001 0.000 0.191 325 E C 0.342 176.944 176.600 0.002 0.000 0.971 325 E CA 0.671 57.073 56.400 0.004 0.000 0.825 325 E CB -0.033 29.669 29.700 0.003 0.000 0.788 325 E HN 0.138 nan 8.360 nan 0.000 0.460 326 D N 0.204 120.606 120.400 0.002 0.000 2.372 326 D HA 0.021 4.661 4.640 -0.001 0.000 0.243 326 D C -0.016 176.284 176.300 -0.000 0.000 1.121 326 D CA 0.065 54.065 54.000 0.000 0.000 0.898 326 D CB 0.852 41.652 40.800 -0.001 0.000 1.202 326 D HN -0.106 nan 8.370 nan 0.000 0.428 327 E N 1.333 121.533 120.200 -0.001 0.000 3.597 327 E HA 0.587 4.936 4.350 -0.001 0.000 0.372 327 E C -0.341 176.258 176.600 -0.003 0.000 0.630 327 E CA -0.306 56.094 56.400 -0.001 0.000 2.363 327 E CB 0.264 29.964 29.700 -0.000 0.000 2.062 327 E HN 0.518 nan 8.360 nan 0.000 0.569 328 R N -0.739 119.759 120.500 -0.003 0.000 1.430 328 R HA -0.157 4.183 4.340 -0.001 0.000 0.469 328 R C -0.826 175.471 176.300 -0.006 0.000 1.339 328 R CA 0.612 56.710 56.100 -0.004 0.000 1.404 328 R CB -1.157 29.139 30.300 -0.006 0.000 3.597 328 R HN 0.281 nan 8.270 nan 0.000 0.523 329 K N 1.694 122.089 120.400 -0.007 0.000 2.138 329 K HA 0.419 4.738 4.320 -0.001 0.000 0.251 329 K C 0.318 176.907 176.600 -0.018 0.000 1.015 329 K CA -0.427 55.854 56.287 -0.010 0.000 0.917 329 K CB 0.591 33.086 32.500 -0.008 0.000 1.021 329 K HN 0.289 nan 8.250 nan 0.000 0.485 330 I N 1.707 122.262 120.570 -0.027 0.000 2.385 330 I HA 0.178 4.347 4.170 -0.001 0.000 0.294 330 I C 1.422 177.502 176.117 -0.061 0.000 0.988 330 I CA -0.309 60.967 61.300 -0.040 0.000 1.265 330 I CB 1.566 39.540 38.000 -0.043 0.000 1.388 330 I HN 0.689 nan 8.210 nan 0.000 0.480 331 R N 4.907 125.368 120.500 -0.065 0.000 2.123 331 R HA 0.267 4.606 4.340 -0.001 0.000 0.209 331 R C 0.234 176.459 176.300 -0.126 0.000 1.078 331 R CA 0.414 56.464 56.100 -0.082 0.000 1.028 331 R CB 0.586 30.855 30.300 -0.053 0.000 0.939 331 R HN 0.560 nan 8.270 nan 0.000 0.463 332 R N 0.236 120.673 120.500 -0.105 0.000 2.686 332 R HA 0.388 4.727 4.340 -0.001 0.000 0.283 332 R C -1.585 174.661 176.300 -0.090 0.000 0.978 332 R CA -0.859 55.172 56.100 -0.115 0.000 0.897 332 R CB 2.254 32.507 30.300 -0.078 0.000 1.192 332 R HN 0.025 nan 8.270 nan 0.000 0.457 333 I N 0.444 120.959 120.570 -0.092 0.000 2.647 333 I HA 0.748 4.917 4.170 -0.001 0.000 0.295 333 I C -0.645 175.456 176.117 -0.027 0.000 1.078 333 I CA -0.152 61.116 61.300 -0.053 0.000 1.048 333 I CB 2.330 40.300 38.000 -0.049 0.000 1.239 333 I HN 0.753 nan 8.210 nan 0.000 0.421 334 G N 5.094 113.881 108.800 -0.022 0.000 2.606 334 G HA2 0.670 4.630 3.960 -0.001 0.000 0.300 334 G HA3 0.670 4.630 3.960 -0.001 0.000 0.300 334 G C -1.794 173.079 174.900 -0.045 0.000 1.360 334 G CA -0.066 45.024 45.100 -0.017 0.000 0.783 334 G HN 1.191 nan 8.290 nan 0.000 0.484 335 V N -2.579 117.287 119.914 -0.079 0.000 3.078 335 V HA 0.965 5.085 4.120 -0.001 0.000 0.311 335 V C -0.744 175.186 176.094 -0.272 0.000 1.138 335 V CA -1.262 60.917 62.300 -0.201 0.000 1.007 335 V CB 1.985 33.631 31.823 -0.295 0.000 1.045 335 V HN 1.121 nan 8.190 nan 0.000 0.432 336 R N 1.708 121.978 120.500 -0.384 0.000 2.564 336 R HA 0.721 5.060 4.340 -0.001 0.000 0.284 336 R C -2.155 173.891 176.300 -0.422 0.000 1.031 336 R CA -0.463 55.459 56.100 -0.296 0.000 0.904 336 R CB 1.846 32.066 30.300 -0.133 0.000 1.199 336 R HN 0.709 nan 8.270 nan 0.000 0.443 337 F N 1.920 121.896 119.950 0.043 0.000 2.458 337 F HA 0.624 5.151 4.527 -0.001 0.000 0.330 337 F C 0.488 176.158 175.800 -0.215 0.000 1.082 337 F CA -0.086 57.910 58.000 -0.007 0.000 0.995 337 F CB 2.256 41.304 39.000 0.081 0.000 1.170 337 F HN 0.727 nan 8.300 nan 0.000 0.478 338 S N -0.463 115.107 115.700 -0.217 0.000 2.843 338 S HA 0.494 4.964 4.470 -0.001 0.000 0.301 338 S C -1.015 173.206 174.600 -0.632 0.000 1.206 338 S CA -1.405 56.396 58.200 -0.665 0.000 0.875 338 S CB 1.284 64.296 63.200 -0.313 0.000 1.248 338 S HN 0.565 nan 8.310 nan 0.000 0.555 339 K N 0.469 120.577 120.400 -0.487 0.000 3.451 339 K HA -0.153 4.166 4.320 -0.001 0.000 0.273 339 K C -1.208 175.294 176.600 -0.163 0.000 0.944 339 K CA 0.348 56.498 56.287 -0.227 0.000 0.734 339 K CB -1.930 30.521 32.500 -0.081 0.000 1.437 339 K HN 0.408 nan 8.250 nan 0.000 0.454 340 F N 0.855 120.814 119.950 0.015 0.000 2.529 340 F HA 0.114 4.641 4.527 -0.001 0.000 0.365 340 F C 1.608 177.404 175.800 -0.007 0.000 1.102 340 F CA -0.569 57.424 58.000 -0.012 0.000 1.271 340 F CB 0.232 39.217 39.000 -0.025 0.000 1.120 340 F HN 0.058 nan 8.300 nan 0.000 0.579 341 I N 3.256 123.934 120.570 0.181 0.000 2.517 341 I HA 0.012 4.181 4.170 -0.001 0.000 0.285 341 I C 0.966 177.135 176.117 0.085 0.000 1.106 341 I CA 0.228 61.590 61.300 0.103 0.000 1.402 341 I CB 1.073 39.117 38.000 0.074 0.000 1.399 341 I HN 0.664 nan 8.210 nan 0.000 0.535 342 E N 6.192 126.434 120.200 0.071 0.000 2.110 342 E HA 0.460 4.810 4.350 -0.001 0.000 0.194 342 E C -0.054 176.567 176.600 0.034 0.000 0.944 342 E CA 0.702 57.131 56.400 0.049 0.000 0.899 342 E CB 0.528 30.259 29.700 0.051 0.000 0.907 342 E HN 0.690 nan 8.360 nan 0.000 0.473 343 A N 0.000 122.841 122.820 0.035 0.000 2.254 343 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 343 A CA 0.000 nan 52.037 nan 0.000 0.836 343 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 343 A HN 0.000 nan 8.150 nan 0.000 0.486