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 2gsy_1_A DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPXXX XXLNGTINAV TFQGSLSELT DVSYNGLMSA TANINDKIGN DATA SEQUENCE VLVGEGVTVL SLPTSYDLGY VRLGDPIPAI GLDPKMVATC DSSDRPRVYT DATA SEQUENCE ITAADDYQFS SQYQPGGVTI TLFSANIDAI TSLSVGGELV FRTSVHGLVL DATA SEQUENCE GATIYLIGFD GTTVITRAVA ANNGLTTGTD NLMPFNLVIP TNEITQPITS DATA SEQUENCE IKLEIVTSKS GGQAGDQMSW SARGSLAVTI HGGNYPGALR PVTLVAYERV DATA SEQUENCE ATGSVVTVAG VSNFELIPNP ELAKNLVTEY GRFDPGAMNY TKLILSERDR DATA SEQUENCE LGIKTVWPTR EYTDFREYFM EVADLNSPLK IAG 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.624 174.700 -0.127 0.000 1.109 8 T CA 0.000 62.014 62.100 -0.144 0.000 1.349 8 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 9 Q N 0.461 120.167 119.800 -0.157 0.000 2.285 9 Q HA 0.867 5.207 4.340 0.000 0.000 0.269 9 Q C 0.652 176.581 176.000 -0.118 0.000 1.030 9 Q CA 0.687 56.420 55.803 -0.116 0.000 0.788 9 Q CB 0.734 29.415 28.738 -0.095 0.000 1.266 9 Q HN 2.520 nan 8.270 nan 0.000 0.438 10 Q N 0.468 120.207 119.800 -0.103 0.000 2.363 10 Q HA -0.279 4.062 4.340 0.000 0.000 0.409 10 Q C 1.130 177.052 176.000 -0.129 0.000 1.118 10 Q CA 4.474 60.215 55.803 -0.103 0.000 0.966 10 Q CB -2.621 26.067 28.738 -0.082 0.000 1.795 10 Q HN 2.312 nan 8.270 nan 0.000 0.941 11 I N -6.414 114.084 120.570 -0.120 0.000 3.519 11 I HA 0.729 4.900 4.170 0.000 0.000 0.314 11 I C -0.602 175.445 176.117 -0.116 0.000 1.273 11 I CA -0.589 60.632 61.300 -0.131 0.000 1.108 11 I CB 1.739 39.669 38.000 -0.118 0.000 1.212 11 I HN 0.654 nan 8.210 nan 0.000 0.420 12 V N 1.733 121.608 119.914 -0.065 0.000 2.419 12 V HA 0.291 4.411 4.120 0.000 0.000 0.287 12 V C -1.867 174.261 176.094 0.057 0.000 1.017 12 V CA -1.094 61.187 62.300 -0.032 0.000 0.844 12 V CB 1.086 32.868 31.823 -0.069 0.000 1.011 12 V HN 0.536 nan 8.190 nan 0.000 0.429 13 P HA -0.257 nan 4.420 nan 0.000 0.219 13 P C 1.583 178.957 177.300 0.124 0.000 1.158 13 P CA 1.687 64.835 63.100 0.080 0.000 0.895 13 P CB 0.116 31.864 31.700 0.081 0.000 0.792 14 F N -0.342 119.625 119.950 0.028 0.000 2.102 14 F HA -0.165 4.362 4.527 0.000 0.000 0.298 14 F C 2.046 177.887 175.800 0.068 0.000 1.105 14 F CA 1.297 59.315 58.000 0.030 0.000 1.239 14 F CB -0.733 38.261 39.000 -0.010 0.000 0.991 14 F HN -0.235 nan 8.300 nan 0.000 0.474 15 I N 0.653 121.228 120.570 0.008 0.000 2.208 15 I HA -0.283 3.887 4.170 0.000 0.000 0.245 15 I C 2.584 178.689 176.117 -0.020 0.000 1.097 15 I CA 1.427 62.718 61.300 -0.015 0.000 1.363 15 I CB -1.309 36.846 38.000 0.259 0.000 1.051 15 I HN 0.212 nan 8.210 nan 0.000 0.413 16 R N 0.272 120.836 120.500 0.106 0.000 2.083 16 R HA -0.197 4.143 4.340 0.000 0.000 0.237 16 R C 2.595 178.910 176.300 0.024 0.000 1.137 16 R CA 2.138 58.331 56.100 0.155 0.000 0.951 16 R CB -0.235 30.134 30.300 0.115 0.000 0.851 16 R HN 0.228 nan 8.270 nan 0.000 0.434 17 S N 0.069 115.726 115.700 -0.072 0.000 2.368 17 S HA -0.116 4.354 4.470 0.000 0.000 0.224 17 S C 1.845 176.331 174.600 -0.190 0.000 1.029 17 S CA 1.125 59.260 58.200 -0.107 0.000 0.988 17 S CB -0.245 62.902 63.200 -0.090 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.295 122.284 121.223 -0.390 0.000 2.027 18 L HA 0.139 4.479 4.340 0.000 0.000 0.206 18 L C 1.960 178.754 176.870 -0.128 0.000 1.074 18 L CA 1.800 56.429 54.840 -0.352 0.000 0.745 18 L CB -0.445 41.279 42.059 -0.558 0.000 0.898 18 L HN 0.373 nan 8.230 nan 0.000 0.433 19 L N -1.524 119.645 121.223 -0.090 0.000 2.375 19 L HA 0.084 4.424 4.340 0.000 0.000 0.215 19 L C 0.675 177.628 176.870 0.138 0.000 1.108 19 L CA 0.312 55.166 54.840 0.025 0.000 0.830 19 L CB 0.004 41.994 42.059 -0.115 0.000 0.959 19 L HN 0.237 nan 8.230 nan 0.000 0.457 20 M N -0.531 119.126 119.600 0.095 0.000 2.389 20 M HA 0.239 4.719 4.480 0.000 0.000 0.206 20 M C -1.979 174.361 176.300 0.066 0.000 0.976 20 M CA -1.277 54.104 55.300 0.136 0.000 0.648 20 M CB 1.592 34.266 32.600 0.124 0.000 1.474 20 M HN -0.264 nan 8.290 nan 0.000 0.398 21 P HA -0.157 nan 4.420 nan 0.000 0.219 21 P C 1.363 178.663 177.300 0.001 0.000 1.146 21 P CA 1.472 64.564 63.100 -0.013 0.000 0.808 21 P CB -0.179 31.492 31.700 -0.048 0.000 0.779 22 T N -5.713 108.854 114.554 0.022 0.000 3.025 22 T HA -0.081 4.269 4.350 0.000 0.000 0.270 22 T C 1.699 176.413 174.700 0.024 0.000 1.126 22 T CA 1.392 63.505 62.100 0.022 0.000 1.105 22 T CB -1.431 67.458 68.868 0.034 0.000 0.884 22 T HN 0.016 nan 8.240 nan 0.000 0.522 23 T N 0.846 115.416 114.554 0.027 0.000 3.023 23 T HA 0.453 4.803 4.350 0.000 0.000 0.266 23 T C 0.929 175.642 174.700 0.023 0.000 1.093 23 T CA 1.048 63.162 62.100 0.024 0.000 1.129 23 T CB -0.663 68.223 68.868 0.030 0.000 0.899 23 T HN 0.992 nan 8.240 nan 0.000 0.491 24 G N 1.344 110.157 108.800 0.022 0.000 2.408 24 G HA2 0.072 4.032 3.960 0.000 0.000 0.682 24 G HA3 0.072 4.032 3.960 0.000 0.000 0.682 24 G C -3.332 171.586 174.900 0.031 0.000 1.303 24 G CA -0.956 44.162 45.100 0.030 0.000 0.966 24 G HN 0.076 nan 8.290 nan 0.000 0.560 25 P HA 0.720 nan 4.420 nan 0.000 0.283 25 P C -0.460 176.901 177.300 0.102 0.000 1.271 25 P CA 0.186 63.327 63.100 0.068 0.000 0.841 25 P CB 1.985 33.738 31.700 0.088 0.000 1.122 26 A N 0.514 123.425 122.820 0.151 0.000 2.572 26 A HA 0.601 4.921 4.320 0.000 0.000 0.295 26 A C -0.519 177.220 177.584 0.259 0.000 1.072 26 A CA -0.541 51.617 52.037 0.203 0.000 0.691 26 A CB 0.727 19.863 19.000 0.226 0.000 1.291 26 A HN 0.383 nan 8.150 nan 0.000 0.404 27 S N 0.792 116.630 115.700 0.229 0.000 2.549 27 S HA 0.361 4.831 4.470 0.000 0.000 0.279 27 S C 0.296 174.879 174.600 -0.028 0.000 1.321 27 S CA -0.156 58.150 58.200 0.177 0.000 1.054 27 S CB 0.070 63.439 63.200 0.282 0.000 0.899 27 S HN 0.462 nan 8.310 nan 0.000 0.497 28 I N 4.926 125.365 120.570 -0.219 0.000 2.598 28 I HA 0.108 4.278 4.170 0.000 0.000 0.284 28 I C -1.560 174.221 176.117 -0.560 0.000 1.140 28 I CA -1.420 59.454 61.300 -0.710 0.000 1.420 28 I CB 0.398 38.084 38.000 -0.523 0.000 1.387 28 I HN 0.427 nan 8.210 nan 0.000 0.553 29 P HA 0.110 nan 4.420 nan 0.000 0.214 29 P C -1.051 176.086 177.300 -0.273 0.000 1.807 29 P CA -0.266 62.621 63.100 -0.355 0.000 0.921 29 P CB -0.403 31.111 31.700 -0.310 0.000 1.835 30 D N -1.012 119.241 120.400 -0.245 0.000 2.541 30 D HA 0.121 4.761 4.640 0.000 0.000 0.276 30 D C 0.447 176.727 176.300 -0.033 0.000 1.190 30 D CA -0.367 53.558 54.000 -0.125 0.000 1.095 30 D CB -0.010 40.728 40.800 -0.103 0.000 1.173 30 D HN -0.176 nan 8.370 nan 0.000 0.604 31 D N -1.342 119.059 120.400 0.001 0.000 2.349 31 D HA 0.041 4.681 4.640 0.000 0.000 0.214 31 D C -0.010 176.318 176.300 0.046 0.000 1.063 31 D CA 0.319 54.332 54.000 0.022 0.000 0.847 31 D CB 0.079 40.891 40.800 0.019 0.000 0.933 31 D HN 0.273 nan 8.370 nan 0.000 0.513 32 T N 2.120 116.711 114.554 0.062 0.000 4.104 32 T HA 0.179 4.529 4.350 0.000 0.000 0.285 32 T C 0.893 175.696 174.700 0.172 0.000 1.346 32 T CA -0.094 62.077 62.100 0.118 0.000 1.158 32 T CB -0.329 68.620 68.868 0.134 0.000 1.290 32 T HN 0.033 nan 8.240 nan 0.000 0.975 33 L N 3.412 124.726 121.223 0.153 0.000 2.404 33 L HA 0.257 4.597 4.340 0.000 0.000 0.277 33 L C 0.770 177.849 176.870 0.348 0.000 1.184 33 L CA 0.045 55.026 54.840 0.235 0.000 1.013 33 L CB -0.079 42.034 42.059 0.089 0.000 1.318 33 L HN 0.379 nan 8.230 nan 0.000 0.435 34 E N 2.939 123.331 120.200 0.321 0.000 2.207 34 E HA 0.316 4.666 4.350 0.000 0.000 0.270 34 E C -0.609 176.012 176.600 0.034 0.000 0.927 34 E CA -0.955 55.502 56.400 0.096 0.000 0.799 34 E CB 2.442 31.978 29.700 -0.273 0.000 1.172 34 E HN 0.318 nan 8.360 nan 0.000 0.404 35 K N 3.464 123.634 120.400 -0.382 0.000 2.412 35 K HA 0.049 4.369 4.320 0.000 0.000 0.284 35 K C 0.226 176.743 176.600 -0.138 0.000 1.046 35 K CA 0.310 56.313 56.287 -0.473 0.000 0.999 35 K CB 0.141 32.311 32.500 -0.549 0.000 0.941 35 K HN 0.523 nan 8.250 nan 0.000 0.474 36 H N -0.224 118.783 119.070 -0.105 0.000 2.959 36 H HA 0.485 5.041 4.556 0.000 0.000 0.296 36 H C -1.076 174.284 175.328 0.053 0.000 1.421 36 H CA -0.800 55.260 56.048 0.019 0.000 1.206 36 H CB 1.936 31.802 29.762 0.173 0.000 1.891 36 H HN 0.402 nan 8.280 nan 0.000 0.573 37 T N 0.592 115.262 114.554 0.192 0.000 2.906 37 T HA 0.542 4.892 4.350 0.000 0.000 0.295 37 T C -0.896 173.943 174.700 0.233 0.000 1.061 37 T CA -0.738 61.436 62.100 0.123 0.000 1.000 37 T CB 1.114 70.060 68.868 0.130 0.000 1.103 37 T HN 0.413 nan 8.240 nan 0.000 0.486 38 L N 3.490 124.819 121.223 0.177 0.000 2.307 38 L HA 0.743 5.083 4.340 0.000 0.000 0.284 38 L C 0.027 176.978 176.870 0.135 0.000 1.023 38 L CA -0.747 54.206 54.840 0.188 0.000 0.810 38 L CB 1.596 43.763 42.059 0.179 0.000 1.231 38 L HN 0.508 nan 8.230 nan 0.000 0.423 39 R N 0.893 121.478 120.500 0.142 0.000 2.771 39 R HA 0.602 4.942 4.340 0.000 0.000 0.274 39 R C -1.296 175.118 176.300 0.190 0.000 0.987 39 R CA -0.471 55.713 56.100 0.140 0.000 0.908 39 R CB 2.498 32.848 30.300 0.084 0.000 1.213 39 R HN 0.520 nan 8.270 nan 0.000 0.468 40 S N 1.169 116.964 115.700 0.159 0.000 2.501 40 S HA 0.501 4.971 4.470 0.000 0.000 0.301 40 S C -1.114 173.600 174.600 0.190 0.000 1.096 40 S CA -0.847 57.444 58.200 0.152 0.000 1.063 40 S CB 1.476 64.729 63.200 0.089 0.000 1.042 40 S HN 0.316 nan 8.310 nan 0.000 0.494 41 E N 2.324 122.668 120.200 0.239 0.000 2.224 41 E HA 0.339 4.689 4.350 0.000 0.000 0.265 41 E C -0.407 176.291 176.600 0.163 0.000 0.878 41 E CA -0.495 56.037 56.400 0.219 0.000 0.759 41 E CB 2.032 31.917 29.700 0.308 0.000 1.164 41 E HN 0.725 nan 8.360 nan 0.000 0.414 42 T N -0.573 114.047 114.554 0.110 0.000 2.882 42 T HA 0.507 4.857 4.350 0.000 0.000 0.287 42 T C 0.313 175.066 174.700 0.089 0.000 1.014 42 T CA -0.613 61.533 62.100 0.077 0.000 1.049 42 T CB 0.970 69.862 68.868 0.041 0.000 1.001 42 T HN 0.117 nan 8.240 nan 0.000 0.525 43 S N 1.316 117.068 115.700 0.087 0.000 2.561 43 S HA 0.670 5.140 4.470 0.000 0.000 0.303 43 S C -0.323 174.301 174.600 0.039 0.000 1.110 43 S CA -0.921 57.350 58.200 0.119 0.000 1.034 43 S CB 1.408 64.759 63.200 0.251 0.000 1.010 43 S HN 1.068 nan 8.310 nan 0.000 0.482 44 T N 1.163 115.615 114.554 -0.170 0.000 2.881 44 T HA 0.717 5.067 4.350 0.000 0.000 0.291 44 T C -1.316 173.077 174.700 -0.513 0.000 0.990 44 T CA -0.522 61.460 62.100 -0.197 0.000 0.976 44 T CB 0.430 69.208 68.868 -0.150 0.000 0.970 44 T HN 0.421 nan 8.240 nan 0.000 0.438 45 Y N 1.448 121.753 120.300 0.008 0.000 2.492 45 Y HA 0.553 5.103 4.550 0.000 0.000 0.346 45 Y C -0.179 175.697 175.900 -0.041 0.000 0.997 45 Y CA -1.230 56.860 58.100 -0.016 0.000 1.025 45 Y CB 2.338 40.784 38.460 -0.024 0.000 1.263 45 Y HN 0.571 nan 8.280 nan 0.000 0.454 46 N N 3.931 122.686 118.700 0.092 0.000 2.621 46 N HA 0.383 5.123 4.740 0.000 0.000 0.237 46 N C -1.311 174.204 175.510 0.009 0.000 0.997 46 N CA -0.298 52.767 53.050 0.025 0.000 0.918 46 N CB 0.942 39.431 38.487 0.003 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.966 122.152 121.223 -0.062 0.000 2.350 47 L HA 0.429 4.769 4.340 0.000 0.000 0.275 47 L C 0.717 177.547 176.870 -0.068 0.000 1.099 47 L CA -0.401 54.367 54.840 -0.120 0.000 0.808 47 L CB 0.812 42.611 42.059 -0.434 0.000 1.149 47 L HN 0.173 nan 8.230 nan 0.000 0.442 48 T N 1.838 116.404 114.554 0.020 0.000 2.799 48 T HA 0.340 4.690 4.350 0.000 0.000 0.286 48 T C 0.086 174.852 174.700 0.111 0.000 0.973 48 T CA -0.483 61.642 62.100 0.042 0.000 1.035 48 T CB 1.671 70.565 68.868 0.044 0.000 0.932 48 T HN 0.204 nan 8.240 nan 0.000 0.469 49 V N 3.459 123.421 119.914 0.081 0.000 2.555 49 V HA 0.463 4.583 4.120 0.000 0.000 0.286 49 V C 1.214 177.387 176.094 0.133 0.000 1.044 49 V CA -0.267 62.127 62.300 0.156 0.000 1.026 49 V CB 1.033 32.921 31.823 0.108 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.343 111.235 108.800 0.155 0.000 2.535 50 G HA2 0.174 4.134 3.960 0.000 0.000 0.282 50 G HA3 0.174 4.134 3.960 0.000 0.000 0.282 50 G C 0.540 175.475 174.900 0.060 0.000 1.350 50 G CA -0.232 44.919 45.100 0.086 0.000 1.039 50 G HN 0.672 nan 8.290 nan 0.000 0.509 51 D N -0.506 119.913 120.400 0.030 0.000 2.158 51 D HA -0.150 4.490 4.640 0.000 0.000 0.197 51 D C 2.797 179.102 176.300 0.007 0.000 0.995 51 D CA 2.104 56.113 54.000 0.014 0.000 0.846 51 D CB -0.264 40.537 40.800 0.001 0.000 0.941 51 D HN 0.449 nan 8.370 nan 0.000 0.456 52 T N -3.588 110.966 114.554 -0.001 0.000 3.088 52 T HA 0.224 4.574 4.350 0.000 0.000 0.259 52 T C 1.665 176.364 174.700 -0.003 0.000 1.122 52 T CA 0.851 62.938 62.100 -0.021 0.000 1.095 52 T CB 0.154 68.988 68.868 -0.058 0.000 0.930 52 T HN 0.218 nan 8.240 nan 0.000 0.508 53 G N 0.220 109.047 108.800 0.046 0.000 2.160 53 G HA2 -0.189 3.771 3.960 0.000 0.000 0.251 53 G HA3 -0.189 3.771 3.960 0.000 0.000 0.251 53 G C 0.043 175.028 174.900 0.140 0.000 1.008 53 G CA 0.288 45.445 45.100 0.095 0.000 0.724 53 G HN 1.000 nan 8.290 nan 0.000 0.514 54 S N -1.325 114.411 115.700 0.061 0.000 2.546 54 S HA 0.930 5.400 4.470 0.000 0.000 0.274 54 S C 0.102 174.487 174.600 -0.357 0.000 1.121 54 S CA 0.718 58.825 58.200 -0.156 0.000 0.887 54 S CB 1.850 64.954 63.200 -0.159 0.000 1.094 54 S HN 1.933 nan 8.310 nan 0.000 0.474 55 G N 1.100 109.362 108.800 -0.898 0.000 2.488 55 G HA2 0.562 4.522 3.960 0.000 0.000 0.301 55 G HA3 0.562 4.522 3.960 0.000 0.000 0.301 55 G C -2.477 172.164 174.900 -0.432 0.000 1.339 55 G CA -0.525 44.214 45.100 -0.602 0.000 0.803 55 G HN 1.000 nan 8.290 nan 0.000 0.482 56 L N -0.131 121.125 121.223 0.054 0.000 2.464 56 L HA 0.780 5.120 4.340 0.000 0.000 0.266 56 L C -1.215 175.767 176.870 0.187 0.000 0.965 56 L CA -0.652 54.251 54.840 0.105 0.000 0.833 56 L CB 1.794 43.848 42.059 -0.008 0.000 1.296 56 L HN 0.518 nan 8.230 nan 0.000 0.405 57 I N 5.359 125.973 120.570 0.073 0.000 2.339 57 I HA 0.442 4.612 4.170 0.000 0.000 0.290 57 I C -0.653 175.226 176.117 -0.397 0.000 0.994 57 I CA -0.908 60.286 61.300 -0.176 0.000 1.191 57 I CB 1.846 39.632 38.000 -0.356 0.000 1.343 57 I HN 0.254 nan 8.210 nan 0.000 0.458 58 V N 7.300 126.936 119.914 -0.463 0.000 2.350 58 V HA 0.360 4.480 4.120 0.000 0.000 0.276 58 V C -0.266 175.346 176.094 -0.802 0.000 1.028 58 V CA -0.320 61.645 62.300 -0.557 0.000 0.860 58 V CB 0.807 32.324 31.823 -0.510 0.000 0.990 58 V HN 0.403 nan 8.190 nan 0.000 0.453 59 F N 4.095 123.771 119.950 -0.457 0.000 2.458 59 F HA 0.582 5.109 4.527 0.000 0.000 0.330 59 F C -0.008 175.468 175.800 -0.539 0.000 1.082 59 F CA -0.623 57.127 58.000 -0.416 0.000 0.995 59 F CB 1.743 40.652 39.000 -0.152 0.000 1.170 59 F HN 0.367 nan 8.300 nan 0.000 0.478 60 F N 3.609 123.732 119.950 0.288 0.000 2.334 60 F HA 0.280 4.807 4.527 0.000 0.000 0.343 60 F C -1.636 174.309 175.800 0.242 0.000 1.136 60 F CA -1.816 56.325 58.000 0.235 0.000 1.237 60 F CB 0.237 39.369 39.000 0.221 0.000 1.525 60 F HN 0.268 nan 8.300 nan 0.000 0.528 61 P HA -0.134 nan 4.420 nan 0.000 0.219 61 P C 1.391 178.796 177.300 0.175 0.000 1.146 61 P CA 1.252 64.445 63.100 0.155 0.000 0.808 61 P CB 0.316 32.061 31.700 0.075 0.000 0.779 62 G N -1.694 107.242 108.800 0.226 0.000 3.337 62 G HA2 0.046 4.006 3.960 0.000 0.000 0.246 62 G HA3 0.046 4.006 3.960 0.000 0.000 0.246 62 G C -0.158 174.896 174.900 0.257 0.000 1.131 62 G CA -0.390 44.821 45.100 0.186 0.000 0.773 62 G HN 0.153 nan 8.290 nan 0.000 0.544 63 F N 3.174 123.258 119.950 0.223 0.000 2.571 63 F HA 0.285 4.812 4.527 0.000 0.000 0.384 63 F C -1.595 174.355 175.800 0.250 0.000 1.058 63 F CA -2.449 55.684 58.000 0.222 0.000 1.200 63 F CB 1.106 40.241 39.000 0.225 0.000 1.077 63 F HN -0.054 nan 8.300 nan 0.000 0.558 64 P HA 0.318 nan 4.420 nan 0.000 0.238 64 P C -0.050 177.182 177.300 -0.114 0.000 1.794 64 P CA 0.361 63.409 63.100 -0.088 0.000 1.088 64 P CB 0.230 31.798 31.700 -0.220 0.000 1.923 65 G N 0.430 109.423 108.800 0.322 0.000 2.368 65 G HA2 0.001 3.961 3.960 0.000 0.000 0.269 65 G HA3 0.001 3.961 3.960 0.000 0.000 0.269 65 G C 0.222 175.381 174.900 0.431 0.000 1.291 65 G CA -0.348 44.905 45.100 0.256 0.000 0.903 65 G HN -0.040 nan 8.290 nan 0.000 0.483 66 S N -0.421 115.461 115.700 0.303 0.000 2.593 66 S HA 0.294 4.764 4.470 0.000 0.000 0.217 66 S C 0.931 175.621 174.600 0.150 0.000 0.966 66 S CA 0.065 58.382 58.200 0.195 0.000 0.914 66 S CB -0.253 63.011 63.200 0.107 0.000 0.776 66 S HN 0.349 nan 8.310 nan 0.000 0.523 67 I N 1.321 121.873 120.570 -0.030 0.000 2.337 67 I HA 0.147 4.317 4.170 0.000 0.000 0.291 67 I C 0.833 176.928 176.117 -0.037 0.000 1.046 67 I CA -0.127 61.004 61.300 -0.282 0.000 1.324 67 I CB 1.445 38.906 38.000 -0.898 0.000 1.409 67 I HN -0.060 nan 8.210 nan 0.000 0.494 68 V N 5.313 125.328 119.914 0.169 0.000 2.922 68 V HA 0.438 4.558 4.120 0.000 0.000 0.242 68 V C 0.941 177.274 176.094 0.398 0.000 1.094 68 V CA 1.057 63.547 62.300 0.316 0.000 1.106 68 V CB 0.423 32.433 31.823 0.312 0.000 0.799 68 V HN 0.962 nan 8.190 nan 0.000 0.474 69 G N -1.112 107.836 108.800 0.248 0.000 2.348 69 G HA2 0.661 4.621 3.960 0.000 0.000 0.296 69 G HA3 0.661 4.621 3.960 0.000 0.000 0.296 69 G C -1.839 173.032 174.900 -0.049 0.000 1.258 69 G CA 0.157 45.247 45.100 -0.017 0.000 0.868 69 G HN 0.659 nan 8.290 nan 0.000 0.488 70 A N -0.620 122.069 122.820 -0.218 0.000 2.549 70 A HA 0.790 5.110 4.320 0.000 0.000 0.297 70 A C -1.288 176.125 177.584 -0.286 0.000 1.061 70 A CA -0.441 51.498 52.037 -0.163 0.000 0.690 70 A CB 1.546 20.559 19.000 0.023 0.000 1.287 70 A HN 1.203 nan 8.150 nan 0.000 0.402 71 H N 1.218 119.989 119.070 -0.498 0.000 2.466 71 H HA 0.646 5.202 4.556 0.000 0.000 0.338 71 H C -1.803 173.226 175.328 -0.497 0.000 1.091 71 H CA -0.288 55.527 56.048 -0.388 0.000 1.207 71 H CB 0.911 30.494 29.762 -0.298 0.000 1.466 71 H HN 0.613 nan 8.280 nan 0.000 0.493 72 Y N 2.116 122.200 120.300 -0.361 0.000 2.425 72 Y HA 0.171 4.721 4.550 0.000 0.000 0.344 72 Y C 0.449 176.181 175.900 -0.281 0.000 0.969 72 Y CA -0.826 57.143 58.100 -0.218 0.000 1.052 72 Y CB 2.140 40.665 38.460 0.108 0.000 1.215 72 Y HN 0.581 nan 8.280 nan 0.000 0.451 73 T N 0.561 115.069 114.554 -0.078 0.000 2.922 73 T HA 0.571 4.921 4.350 0.000 0.000 0.285 73 T C -0.758 173.984 174.700 0.070 0.000 1.005 73 T CA -0.756 61.342 62.100 -0.004 0.000 1.061 73 T CB 1.397 70.256 68.868 -0.015 0.000 1.007 73 T HN 0.461 nan 8.240 nan 0.000 0.502 74 L N 1.881 123.070 121.223 -0.057 0.000 2.334 74 L HA 0.445 4.785 4.340 0.000 0.000 0.277 74 L C -0.051 176.719 176.870 -0.166 0.000 1.075 74 L CA -0.025 54.658 54.840 -0.262 0.000 0.804 74 L CB 1.135 42.978 42.059 -0.360 0.000 1.174 74 L HN 0.760 nan 8.230 nan 0.000 0.438 75 Q N 2.360 122.048 119.800 -0.187 0.000 2.297 75 Q HA 0.356 4.696 4.340 0.000 0.000 0.269 75 Q C 0.921 176.854 176.000 -0.112 0.000 1.051 75 Q CA -0.176 55.561 55.803 -0.110 0.000 0.869 75 Q CB 1.456 30.148 28.738 -0.077 0.000 1.346 75 Q HN 0.899 nan 8.270 nan 0.000 0.457 76 G N 1.643 110.398 108.800 -0.075 0.000 2.556 76 G HA2 -0.341 3.619 3.960 0.000 0.000 0.220 76 G HA3 -0.341 3.619 3.960 0.000 0.000 0.220 76 G C 0.882 175.737 174.900 -0.076 0.000 1.156 76 G CA 1.431 46.492 45.100 -0.067 0.000 0.766 76 G HN 0.844 nan 8.290 nan 0.000 0.583 77 N N 0.795 119.449 118.700 -0.077 0.000 2.515 77 N HA 0.134 4.874 4.740 0.000 0.000 0.191 77 N C 1.552 177.000 175.510 -0.104 0.000 1.182 77 N CA 1.012 54.015 53.050 -0.078 0.000 0.879 77 N CB 0.067 38.515 38.487 -0.064 0.000 0.984 77 N HN 0.584 nan 8.380 nan 0.000 0.453 78 G N 0.423 109.138 108.800 -0.141 0.000 2.176 78 G HA2 -0.255 3.705 3.960 0.000 0.000 0.253 78 G HA3 -0.255 3.705 3.960 0.000 0.000 0.253 78 G C -0.214 174.533 174.900 -0.255 0.000 0.979 78 G CA -0.199 44.788 45.100 -0.189 0.000 0.641 78 G HN 0.429 nan 8.290 nan 0.000 0.530 79 N N -0.140 118.433 118.700 -0.212 0.000 2.515 79 N HA 0.554 5.294 4.740 0.000 0.000 0.279 79 N C -0.078 175.276 175.510 -0.261 0.000 1.164 79 N CA -0.256 52.674 53.050 -0.200 0.000 0.982 79 N CB 0.445 38.870 38.487 -0.102 0.000 1.170 79 N HN 0.231 nan 8.380 nan 0.000 0.474 80 Y N 0.285 120.518 120.300 -0.113 0.000 2.301 80 Y HA 0.239 4.789 4.550 0.000 0.000 0.328 80 Y C 1.011 176.943 175.900 0.054 0.000 1.242 80 Y CA 0.101 58.184 58.100 -0.030 0.000 1.323 80 Y CB 1.016 39.432 38.460 -0.072 0.000 1.266 80 Y HN 0.194 nan 8.280 nan 0.000 0.527 81 K N 3.272 123.860 120.400 0.313 0.000 2.471 81 K HA 0.254 4.574 4.320 0.000 0.000 0.252 81 K C -1.438 175.368 176.600 0.344 0.000 0.938 81 K CA -0.802 55.647 56.287 0.269 0.000 0.796 81 K CB 0.900 33.473 32.500 0.121 0.000 1.161 81 K HN 0.559 nan 8.250 nan 0.000 0.425 82 F N 3.827 123.921 119.950 0.241 0.000 2.607 82 F HA -0.029 4.498 4.527 0.000 0.000 0.374 82 F C 0.884 176.617 175.800 -0.110 0.000 1.104 82 F CA 0.689 58.682 58.000 -0.012 0.000 1.296 82 F CB 0.801 39.820 39.000 0.031 0.000 1.085 82 F HN 0.818 nan 8.300 nan 0.000 0.584 83 D N 2.313 122.118 120.400 -0.991 0.000 2.805 83 D HA 0.107 4.748 4.640 0.000 0.000 0.271 83 D C -0.617 175.001 176.300 -1.136 0.000 1.166 83 D CA 0.918 54.457 54.000 -0.768 0.000 1.004 83 D CB 0.221 40.759 40.800 -0.438 0.000 1.136 83 D HN 0.676 nan 8.370 nan 0.000 0.444 84 Q N -0.876 118.159 119.800 -1.275 0.000 2.578 84 Q HA 0.322 4.662 4.340 0.000 0.000 0.284 84 Q C -1.090 174.645 176.000 -0.442 0.000 0.960 84 Q CA -1.036 54.279 55.803 -0.814 0.000 0.809 84 Q CB 1.105 29.643 28.738 -0.335 0.000 1.462 84 Q HN -0.048 nan 8.270 nan 0.000 0.392 85 M N 1.808 121.397 119.600 -0.019 0.000 2.243 85 M HA 0.352 4.832 4.480 0.000 0.000 0.341 85 M C -0.523 175.648 176.300 -0.215 0.000 1.130 85 M CA 0.000 55.312 55.300 0.020 0.000 1.162 85 M CB -0.009 32.657 32.600 0.109 0.000 1.497 85 M HN 0.614 nan 8.290 nan 0.000 0.456 86 L N 4.720 125.793 121.223 -0.249 0.000 2.272 86 L HA 0.552 4.892 4.340 0.000 0.000 0.289 86 L C -0.440 176.424 176.870 -0.011 0.000 1.032 86 L CA -0.372 54.189 54.840 -0.464 0.000 0.810 86 L CB 0.659 42.486 42.059 -0.387 0.000 1.205 86 L HN 0.564 nan 8.230 nan 0.000 0.422 87 L N 1.286 122.650 121.223 0.236 0.000 2.279 87 L HA 0.569 4.909 4.340 0.000 0.000 0.262 87 L C 0.520 177.595 176.870 0.342 0.000 1.019 87 L CA -0.799 54.208 54.840 0.278 0.000 0.823 87 L CB 1.926 44.121 42.059 0.227 0.000 1.358 87 L HN 0.384 nan 8.230 nan 0.000 0.432 88 T N 0.265 114.967 114.554 0.246 0.000 2.903 88 T HA 0.092 4.442 4.350 0.000 0.000 0.314 88 T C 1.138 175.930 174.700 0.153 0.000 1.078 88 T CA 0.515 62.744 62.100 0.214 0.000 1.114 88 T CB 1.402 70.394 68.868 0.206 0.000 0.987 88 T HN 0.728 nan 8.240 nan 0.000 0.548 89 A N 2.663 125.550 122.820 0.111 0.000 1.908 89 A HA -0.069 4.251 4.320 0.000 0.000 0.218 89 A C 1.029 178.650 177.584 0.062 0.000 1.181 89 A CA 1.454 53.525 52.037 0.055 0.000 0.627 89 A CB -0.365 18.659 19.000 0.041 0.000 0.818 89 A HN 0.851 nan 8.150 nan 0.000 0.445 90 Q N -1.522 118.326 119.800 0.080 0.000 2.433 90 Q HA 0.491 4.831 4.340 0.000 0.000 0.279 90 Q C -1.216 174.829 176.000 0.076 0.000 1.105 90 Q CA -0.980 54.866 55.803 0.072 0.000 0.815 90 Q CB 0.781 29.560 28.738 0.069 0.000 1.403 90 Q HN 0.137 nan 8.270 nan 0.000 0.435 91 N N 1.608 120.347 118.700 0.065 0.000 2.415 91 N HA 0.130 4.870 4.740 0.000 0.000 0.250 91 N C 0.487 176.034 175.510 0.061 0.000 1.127 91 N CA -0.007 53.079 53.050 0.060 0.000 0.945 91 N CB 0.313 38.830 38.487 0.049 0.000 1.196 91 N HN 0.765 nan 8.380 nan 0.000 0.499 92 L N 4.480 125.734 121.223 0.053 0.000 2.043 92 L HA -0.124 4.216 4.340 0.000 0.000 0.212 92 L C -0.664 176.273 176.870 0.112 0.000 1.075 92 L CA 1.268 56.160 54.840 0.087 0.000 0.752 92 L CB -1.072 40.931 42.059 -0.095 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.130 nan 4.420 nan 0.000 0.228 93 P C 1.088 178.389 177.300 0.003 0.000 1.151 93 P CA 1.267 64.381 63.100 0.023 0.000 0.770 93 P CB -0.020 31.686 31.700 0.010 0.000 0.786 94 A N -1.292 121.531 122.820 0.005 0.000 2.119 94 A HA 0.007 4.327 4.320 0.000 0.000 0.216 94 A C 2.006 179.544 177.584 -0.077 0.000 1.152 94 A CA 1.530 53.552 52.037 -0.024 0.000 0.708 94 A CB -0.547 18.447 19.000 -0.011 0.000 0.805 94 A HN 0.140 nan 8.150 nan 0.000 0.460 95 S N -2.777 112.852 115.700 -0.118 0.000 2.631 95 S HA 0.338 4.808 4.470 0.000 0.000 0.246 95 S C -0.416 173.828 174.600 -0.594 0.000 1.068 95 S CA -0.242 57.736 58.200 -0.369 0.000 0.995 95 S CB 0.149 63.057 63.200 -0.485 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.045 121.332 120.300 -0.023 0.000 2.536 96 Y HA 0.523 5.073 4.550 0.000 0.000 0.347 96 Y C 0.716 176.587 175.900 -0.047 0.000 1.000 96 Y CA -1.076 57.018 58.100 -0.011 0.000 1.051 96 Y CB 1.047 39.505 38.460 -0.003 0.000 1.259 96 Y HN -0.147 nan 8.280 nan 0.000 0.468 97 N N -0.027 118.743 118.700 0.116 0.000 2.407 97 N HA 0.085 4.825 4.740 0.000 0.000 0.182 97 N C -1.154 174.154 175.510 -0.337 0.000 1.079 97 N CA 0.525 53.499 53.050 -0.126 0.000 0.882 97 N CB 0.446 38.853 38.487 -0.133 0.000 1.106 97 N HN 0.531 nan 8.380 nan 0.000 0.461 98 Y N -1.025 119.351 120.300 0.128 0.000 2.545 98 Y HA 0.548 5.098 4.550 0.000 0.000 0.348 98 Y C -0.159 175.870 175.900 0.214 0.000 1.002 98 Y CA -1.157 57.038 58.100 0.159 0.000 1.039 98 Y CB 2.212 40.776 38.460 0.173 0.000 1.271 98 Y HN -0.109 nan 8.280 nan 0.000 0.467 99 C N 2.427 121.939 119.300 0.353 0.000 3.284 99 C HA 0.845 5.305 4.460 0.000 0.000 0.338 99 C C -1.802 173.167 174.990 -0.035 0.000 1.237 99 C CA -0.720 58.381 59.018 0.138 0.000 1.276 99 C CB 1.805 29.536 27.740 -0.015 0.000 1.601 99 C HN 1.031 nan 8.230 nan 0.000 0.494 100 R N 2.688 123.147 120.500 -0.068 0.000 2.548 100 R HA 0.664 5.005 4.340 0.000 0.000 0.280 100 R C -1.734 174.619 176.300 0.088 0.000 1.061 100 R CA -0.649 55.373 56.100 -0.130 0.000 0.915 100 R CB 1.686 31.653 30.300 -0.555 0.000 1.210 100 R HN 0.818 nan 8.270 nan 0.000 0.442 101 L N 4.694 125.990 121.223 0.121 0.000 2.319 101 L HA 0.227 4.568 4.340 0.000 0.000 0.280 101 L C 0.147 177.037 176.870 0.033 0.000 1.099 101 L CA 0.389 55.255 54.840 0.044 0.000 0.828 101 L CB 1.609 43.707 42.059 0.064 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.549 122.441 119.914 -0.037 0.000 2.436 102 V HA 0.256 4.377 4.120 0.000 0.000 0.240 102 V C 0.566 176.719 176.094 0.098 0.000 1.040 102 V CA 1.134 63.499 62.300 0.107 0.000 1.052 102 V CB 0.041 31.921 31.823 0.095 0.000 0.707 102 V HN 0.942 nan 8.190 nan 0.000 0.469 103 S N -0.304 115.359 115.700 -0.060 0.000 2.597 103 S HA 0.718 5.188 4.470 0.000 0.000 0.274 103 S C -0.942 173.577 174.600 -0.135 0.000 1.132 103 S CA -0.915 57.240 58.200 -0.075 0.000 0.835 103 S CB 2.627 65.766 63.200 -0.101 0.000 1.092 103 S HN 0.488 nan 8.310 nan 0.000 0.457 104 R N 0.436 120.874 120.500 -0.102 0.000 2.579 104 R HA 0.666 5.007 4.340 0.000 0.000 0.260 104 R C -1.697 174.533 176.300 -0.117 0.000 1.103 104 R CA 0.003 56.034 56.100 -0.114 0.000 0.942 104 R CB 1.692 31.931 30.300 -0.101 0.000 1.251 104 R HN 1.309 nan 8.270 nan 0.000 0.450 105 S N 3.991 119.611 115.700 -0.134 0.000 2.549 105 S HA 0.779 5.249 4.470 0.000 0.000 0.280 105 S C -1.176 173.298 174.600 -0.211 0.000 1.109 105 S CA -0.800 57.283 58.200 -0.195 0.000 0.905 105 S CB 1.757 64.827 63.200 -0.216 0.000 1.081 105 S HN 0.434 nan 8.310 nan 0.000 0.477 106 L N 1.760 122.808 121.223 -0.290 0.000 2.409 106 L HA 0.762 5.102 4.340 0.000 0.000 0.262 106 L C -0.318 176.418 176.870 -0.222 0.000 0.992 106 L CA -0.592 54.076 54.840 -0.286 0.000 0.817 106 L CB 2.862 44.573 42.059 -0.579 0.000 1.350 106 L HN 1.009 nan 8.230 nan 0.000 0.411 107 T N -0.819 113.670 114.554 -0.109 0.000 2.863 107 T HA 0.811 5.161 4.350 0.000 0.000 0.285 107 T C -0.761 173.956 174.700 0.027 0.000 1.009 107 T CA -0.790 61.281 62.100 -0.049 0.000 0.989 107 T CB 1.826 70.673 68.868 -0.035 0.000 1.004 107 T HN 0.206 nan 8.240 nan 0.000 0.455 108 V N 4.004 123.951 119.914 0.055 0.000 2.483 108 V HA 0.791 4.911 4.120 0.000 0.000 0.297 108 V C -0.077 176.043 176.094 0.043 0.000 1.027 108 V CA -0.884 61.462 62.300 0.077 0.000 0.855 108 V CB 1.117 33.028 31.823 0.148 0.000 0.995 108 V HN 1.169 nan 8.190 nan 0.000 0.424 109 R N 2.272 122.777 120.500 0.009 0.000 2.716 109 R HA 0.702 5.042 4.340 0.000 0.000 0.271 109 R C -0.774 175.506 176.300 -0.035 0.000 1.028 109 R CA -0.676 55.424 56.100 -0.001 0.000 0.883 109 R CB 1.728 32.037 30.300 0.014 0.000 1.250 109 R HN 0.590 nan 8.270 nan 0.000 0.465 110 S N 0.001 115.681 115.700 -0.033 0.000 2.565 110 S HA 0.256 4.726 4.470 0.000 0.000 0.274 110 S C 0.498 175.082 174.600 -0.026 0.000 1.309 110 S CA -0.035 58.137 58.200 -0.046 0.000 1.043 110 S CB 1.472 64.648 63.200 -0.039 0.000 0.939 110 S HN 0.819 nan 8.310 nan 0.000 0.504 111 S N 0.964 116.646 115.700 -0.029 0.000 2.589 111 S HA 0.305 4.775 4.470 0.000 0.000 0.235 111 S C 0.247 174.838 174.600 -0.014 0.000 1.051 111 S CA -0.197 57.992 58.200 -0.017 0.000 0.978 111 S CB -0.015 63.174 63.200 -0.017 0.000 0.929 111 S HN 0.799 nan 8.310 nan 0.000 0.523 112 T N 2.647 117.191 114.554 -0.018 0.000 2.883 112 T HA 0.705 5.055 4.350 0.000 0.000 0.301 112 T C -1.040 173.653 174.700 -0.012 0.000 1.158 112 T CA -0.971 61.122 62.100 -0.012 0.000 1.007 112 T CB 1.864 70.725 68.868 -0.011 0.000 1.186 112 T HN 0.416 nan 8.240 nan 0.000 0.499 113 L N -0.331 120.888 121.223 -0.006 0.000 2.333 113 L HA 0.974 5.314 4.340 0.000 0.000 0.269 113 L C -2.658 174.211 176.870 -0.001 0.000 1.010 113 L CA -2.135 52.703 54.840 -0.003 0.000 0.818 113 L CB 0.069 42.128 42.059 -0.000 0.000 1.306 113 L HN 0.370 nan 8.230 nan 0.000 0.430 121 N N 0.876 119.586 118.700 0.017 0.000 2.690 121 N HA 0.596 5.336 4.740 0.000 0.000 0.255 121 N C 0.031 175.560 175.510 0.031 0.000 1.195 121 N CA 0.751 53.812 53.050 0.019 0.000 0.790 121 N CB 1.600 40.093 38.487 0.009 0.000 1.216 121 N HN 0.401 nan 8.380 nan 0.000 0.528 122 G N 0.775 109.594 108.800 0.032 0.000 2.804 122 G HA2 -0.185 3.775 3.960 0.000 0.000 0.230 122 G HA3 -0.185 3.775 3.960 0.000 0.000 0.230 122 G C -0.402 174.539 174.900 0.069 0.000 1.386 122 G CA -0.075 45.050 45.100 0.041 0.000 0.875 122 G HN 0.757 nan 8.290 nan 0.000 0.557 123 T N -2.442 112.167 114.554 0.093 0.000 2.906 123 T HA 0.733 5.083 4.350 0.000 0.000 0.295 123 T C -0.235 174.659 174.700 0.323 0.000 1.075 123 T CA -0.720 61.484 62.100 0.173 0.000 1.005 123 T CB 2.142 71.121 68.868 0.184 0.000 1.136 123 T HN 0.957 nan 8.240 nan 0.000 0.498 124 I N 2.158 122.917 120.570 0.315 0.000 2.404 124 I HA 0.451 4.621 4.170 0.000 0.000 0.293 124 I C -0.614 175.609 176.117 0.176 0.000 0.992 124 I CA -0.939 60.560 61.300 0.331 0.000 1.149 124 I CB 1.806 39.938 38.000 0.220 0.000 1.315 124 I HN 0.571 nan 8.210 nan 0.000 0.446 125 N N 4.389 123.056 118.700 -0.056 0.000 2.361 125 N HA 0.810 5.550 4.740 0.000 0.000 0.302 125 N C -1.121 174.306 175.510 -0.138 0.000 1.074 125 N CA -0.478 52.400 53.050 -0.286 0.000 0.850 125 N CB 2.231 40.228 38.487 -0.815 0.000 1.228 125 N HN 0.683 nan 8.380 nan 0.000 0.491 126 A N 0.687 123.455 122.820 -0.086 0.000 2.515 126 A HA 0.790 5.111 4.320 0.000 0.000 0.298 126 A C -1.166 176.393 177.584 -0.042 0.000 1.059 126 A CA -0.591 51.427 52.037 -0.031 0.000 0.698 126 A CB 1.007 20.024 19.000 0.028 0.000 1.289 126 A HN 0.380 nan 8.150 nan 0.000 0.404 127 V N -1.084 118.818 119.914 -0.020 0.000 3.049 127 V HA 0.805 4.925 4.120 0.000 0.000 0.309 127 V C -0.300 175.814 176.094 0.033 0.000 1.148 127 V CA -0.725 61.572 62.300 -0.005 0.000 0.990 127 V CB 1.613 33.438 31.823 0.003 0.000 1.039 127 V HN 0.809 nan 8.190 nan 0.000 0.430 128 T N 3.784 118.359 114.554 0.035 0.000 2.758 128 T HA 0.604 4.954 4.350 0.000 0.000 0.285 128 T C -0.929 173.841 174.700 0.116 0.000 0.981 128 T CA 0.085 62.222 62.100 0.063 0.000 0.965 128 T CB 0.752 69.628 68.868 0.013 0.000 0.927 128 T HN 0.658 nan 8.240 nan 0.000 0.448 129 F N 2.743 122.682 119.950 -0.018 0.000 2.436 129 F HA 0.344 4.871 4.527 0.000 0.000 0.340 129 F C 0.825 176.626 175.800 0.002 0.000 1.113 129 F CA -0.952 57.041 58.000 -0.012 0.000 1.022 129 F CB 1.453 40.446 39.000 -0.012 0.000 1.128 129 F HN 0.462 nan 8.300 nan 0.000 0.466 130 Q N 4.605 124.024 119.800 -0.635 0.000 2.404 130 Q HA 0.313 4.653 4.340 0.000 0.000 0.272 130 Q C 0.034 175.613 176.000 -0.701 0.000 0.939 130 Q CA -0.128 55.367 55.803 -0.513 0.000 0.945 130 Q CB 0.013 28.547 28.738 -0.341 0.000 1.195 130 Q HN 0.888 nan 8.270 nan 0.000 0.415 131 G N -0.630 107.642 108.800 -0.880 0.000 2.645 131 G HA2 0.383 4.343 3.960 0.000 0.000 0.292 131 G HA3 0.383 4.343 3.960 0.000 0.000 0.292 131 G C -0.897 174.090 174.900 0.145 0.000 1.415 131 G CA -0.648 44.205 45.100 -0.413 0.000 0.785 131 G HN 0.207 nan 8.290 nan 0.000 0.483 132 S N -0.621 115.244 115.700 0.275 0.000 2.669 132 S HA 0.372 4.842 4.470 0.000 0.000 0.270 132 S C 1.435 176.250 174.600 0.359 0.000 1.225 132 S CA -0.425 57.962 58.200 0.311 0.000 0.991 132 S CB 1.491 64.835 63.200 0.240 0.000 0.987 132 S HN 0.901 nan 8.310 nan 0.000 0.552 133 L N 1.740 123.126 121.223 0.271 0.000 2.021 133 L HA -0.148 4.192 4.340 0.000 0.000 0.215 133 L C 2.541 179.474 176.870 0.105 0.000 1.074 133 L CA 2.706 57.625 54.840 0.131 0.000 0.760 133 L CB -1.487 40.625 42.059 0.088 0.000 0.889 133 L HN 0.990 nan 8.230 nan 0.000 0.433 134 S N -1.939 113.851 115.700 0.151 0.000 2.507 134 S HA -0.114 4.356 4.470 0.000 0.000 0.235 134 S C 1.601 176.264 174.600 0.104 0.000 0.988 134 S CA 0.941 59.215 58.200 0.124 0.000 0.944 134 S CB -0.609 62.651 63.200 0.099 0.000 0.762 134 S HN 0.677 nan 8.310 nan 0.000 0.526 135 E N 0.438 120.736 120.200 0.164 0.000 2.371 135 E HA 0.213 4.563 4.350 0.000 0.000 0.194 135 E C -0.160 176.472 176.600 0.054 0.000 1.012 135 E CA -0.146 56.379 56.400 0.208 0.000 0.860 135 E CB -0.086 29.851 29.700 0.396 0.000 0.811 135 E HN 0.522 nan 8.360 nan 0.000 0.502 136 L N 1.987 123.053 121.223 -0.261 0.000 2.513 136 L HA -0.042 4.298 4.340 0.000 0.000 0.272 136 L C 1.776 178.520 176.870 -0.209 0.000 1.187 136 L CA 0.123 54.636 54.840 -0.545 0.000 0.895 136 L CB 0.731 42.433 42.059 -0.596 0.000 1.147 136 L HN 0.169 nan 8.230 nan 0.000 0.483 137 T N -1.872 112.585 114.554 -0.162 0.000 2.985 137 T HA -0.025 4.325 4.350 0.000 0.000 0.266 137 T C 0.433 175.092 174.700 -0.068 0.000 1.076 137 T CA 0.330 62.388 62.100 -0.071 0.000 1.135 137 T CB 0.118 68.967 68.868 -0.032 0.000 0.890 137 T HN 0.513 nan 8.240 nan 0.000 0.480 138 D N 0.769 121.112 120.400 -0.094 0.000 2.736 138 D HA 0.310 4.950 4.640 0.000 0.000 0.243 138 D C 0.246 176.508 176.300 -0.063 0.000 1.304 138 D CA -0.690 53.276 54.000 -0.057 0.000 0.934 138 D CB 2.235 43.010 40.800 -0.041 0.000 1.382 138 D HN 0.097 nan 8.370 nan 0.000 0.571 139 V N 1.403 121.314 119.914 -0.006 0.000 3.276 139 V HA 0.300 4.420 4.120 0.000 0.000 0.319 139 V C 0.773 176.940 176.094 0.121 0.000 1.427 139 V CA -0.029 62.286 62.300 0.024 0.000 1.102 139 V CB -0.486 31.385 31.823 0.080 0.000 1.020 139 V HN 0.453 nan 8.190 nan 0.000 0.456 140 S N -0.690 115.075 115.700 0.108 0.000 2.584 140 S HA 0.243 4.713 4.470 0.000 0.000 0.270 140 S C 0.870 175.547 174.600 0.129 0.000 1.346 140 S CA 0.254 58.539 58.200 0.142 0.000 1.018 140 S CB 0.609 63.859 63.200 0.082 0.000 0.899 140 S HN 0.473 nan 8.310 nan 0.000 0.542 141 Y N 2.777 123.103 120.300 0.043 0.000 2.062 141 Y HA -0.322 4.228 4.550 0.000 0.000 0.276 141 Y C 2.102 178.011 175.900 0.015 0.000 1.189 141 Y CA 2.730 60.844 58.100 0.023 0.000 1.130 141 Y CB -0.525 37.938 38.460 0.006 0.000 0.959 141 Y HN 0.724 nan 8.280 nan 0.000 0.499 142 N N -0.248 118.537 118.700 0.142 0.000 2.216 142 N HA -0.081 4.659 4.740 0.000 0.000 0.183 142 N C 2.028 177.524 175.510 -0.024 0.000 1.017 142 N CA 1.289 54.367 53.050 0.047 0.000 0.861 142 N CB -0.989 37.560 38.487 0.105 0.000 0.986 142 N HN 0.546 nan 8.380 nan 0.000 0.428 143 G N 1.720 110.517 108.800 -0.006 0.000 2.422 143 G HA2 -0.132 3.828 3.960 0.000 0.000 0.218 143 G HA3 -0.132 3.828 3.960 0.000 0.000 0.218 143 G C 1.663 176.531 174.900 -0.052 0.000 1.140 143 G CA 0.159 45.245 45.100 -0.023 0.000 0.775 143 G HN 0.198 nan 8.290 nan 0.000 0.545 144 L N 0.142 121.318 121.223 -0.077 0.000 2.064 144 L HA -0.198 4.142 4.340 0.000 0.000 0.216 144 L C 2.937 179.758 176.870 -0.081 0.000 1.077 144 L CA 1.173 55.954 54.840 -0.098 0.000 0.766 144 L CB -0.443 41.533 42.059 -0.137 0.000 0.890 144 L HN 0.214 nan 8.230 nan 0.000 0.435 145 M N -0.603 118.943 119.600 -0.089 0.000 2.530 145 M HA -0.115 4.365 4.480 0.000 0.000 0.261 145 M C 1.725 178.001 176.300 -0.039 0.000 1.067 145 M CA 1.287 56.544 55.300 -0.071 0.000 1.071 145 M CB -0.959 31.596 32.600 -0.074 0.000 1.405 145 M HN 0.298 nan 8.290 nan 0.000 0.478 146 S N -1.145 114.538 115.700 -0.028 0.000 2.593 146 S HA 0.415 4.885 4.470 0.000 0.000 0.236 146 S C 1.642 176.252 174.600 0.018 0.000 0.991 146 S CA 0.181 58.377 58.200 -0.007 0.000 0.963 146 S CB 0.025 63.221 63.200 -0.007 0.000 0.865 146 S HN 0.395 nan 8.310 nan 0.000 0.488 147 A N 1.918 124.752 122.820 0.023 0.000 2.015 147 A HA 0.169 4.489 4.320 0.000 0.000 0.219 147 A C 1.211 178.914 177.584 0.199 0.000 1.163 147 A CA 1.010 53.108 52.037 0.102 0.000 0.646 147 A CB -0.425 18.606 19.000 0.052 0.000 0.806 147 A HN 0.509 nan 8.150 nan 0.000 0.448 148 T N -3.709 110.904 114.554 0.098 0.000 2.906 148 T HA 0.628 4.978 4.350 0.000 0.000 0.295 148 T C 0.665 175.375 174.700 0.015 0.000 1.075 148 T CA -0.137 61.997 62.100 0.055 0.000 1.005 148 T CB 1.877 70.758 68.868 0.021 0.000 1.136 148 T HN 0.302 nan 8.240 nan 0.000 0.498 149 A N 0.750 123.569 122.820 -0.001 0.000 2.132 149 A HA 0.212 4.532 4.320 0.000 0.000 0.213 149 A C 0.717 178.282 177.584 -0.031 0.000 1.154 149 A CA -0.053 51.975 52.037 -0.015 0.000 0.753 149 A CB -0.726 18.265 19.000 -0.014 0.000 0.826 149 A HN 0.846 nan 8.150 nan 0.000 0.469 150 N N 0.473 119.150 118.700 -0.039 0.000 2.416 150 N HA 0.165 4.905 4.740 0.000 0.000 0.265 150 N C 0.664 176.130 175.510 -0.073 0.000 1.195 150 N CA -0.395 52.620 53.050 -0.058 0.000 0.943 150 N CB 0.879 39.326 38.487 -0.067 0.000 1.115 150 N HN 0.255 nan 8.380 nan 0.000 0.481 151 I N 2.828 123.351 120.570 -0.079 0.000 2.454 151 I HA -0.210 3.960 4.170 0.000 0.000 0.254 151 I C 1.063 177.099 176.117 -0.136 0.000 1.156 151 I CA 1.374 62.618 61.300 -0.093 0.000 1.433 151 I CB -0.089 37.861 38.000 -0.084 0.000 1.082 151 I HN 0.546 nan 8.210 nan 0.000 0.432 152 N N 0.460 119.064 118.700 -0.161 0.000 2.314 152 N HA 0.011 4.751 4.740 0.000 0.000 0.200 152 N C 0.195 175.565 175.510 -0.232 0.000 1.135 152 N CA 0.379 53.285 53.050 -0.241 0.000 0.835 152 N CB 0.045 38.376 38.487 -0.260 0.000 0.989 152 N HN 0.412 nan 8.380 nan 0.000 0.478 153 D N 0.324 120.630 120.400 -0.156 0.000 2.479 153 D HA 0.077 4.717 4.640 0.000 0.000 0.218 153 D C 0.088 176.335 176.300 -0.089 0.000 1.177 153 D CA 0.209 54.139 54.000 -0.117 0.000 0.830 153 D CB 0.878 41.632 40.800 -0.077 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.064 120.272 120.400 -0.107 0.000 2.502 154 K HA 0.661 4.981 4.320 0.000 0.000 0.257 154 K C -1.425 175.116 176.600 -0.098 0.000 0.938 154 K CA -0.892 55.344 56.287 -0.084 0.000 0.819 154 K CB 2.664 35.124 32.500 -0.066 0.000 1.333 154 K HN -0.179 nan 8.250 nan 0.000 0.434 155 I N 0.685 121.209 120.570 -0.077 0.000 2.656 155 I HA 0.528 4.699 4.170 0.000 0.000 0.292 155 I C -1.211 174.877 176.117 -0.049 0.000 1.144 155 I CA -0.096 61.168 61.300 -0.061 0.000 1.038 155 I CB 2.462 40.435 38.000 -0.045 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.221 113.001 108.800 -0.032 0.000 2.530 156 G HA2 0.422 4.382 3.960 0.000 0.000 0.316 156 G HA3 0.422 4.382 3.960 0.000 0.000 0.316 156 G C -0.513 174.403 174.900 0.026 0.000 1.298 156 G CA -0.460 44.623 45.100 -0.028 0.000 0.948 156 G HN 0.676 nan 8.290 nan 0.000 0.486 157 N N -0.199 118.543 118.700 0.070 0.000 2.738 157 N HA -0.168 4.572 4.740 0.000 0.000 0.249 157 N C 0.321 175.897 175.510 0.109 0.000 1.047 157 N CA 0.666 53.799 53.050 0.140 0.000 0.707 157 N CB -1.067 37.496 38.487 0.127 0.000 0.937 157 N HN 0.417 nan 8.380 nan 0.000 0.545 158 V N 1.141 121.118 119.914 0.106 0.000 2.614 158 V HA 0.106 4.226 4.120 0.000 0.000 0.291 158 V C 1.459 177.617 176.094 0.108 0.000 1.049 158 V CA -0.512 61.846 62.300 0.097 0.000 1.038 158 V CB 0.996 32.876 31.823 0.095 0.000 0.980 158 V HN 0.172 nan 8.190 nan 0.000 0.481 159 L N 4.753 126.028 121.223 0.087 0.000 2.490 159 L HA 0.057 4.397 4.340 0.000 0.000 0.274 159 L C 1.460 178.376 176.870 0.077 0.000 1.201 159 L CA -0.037 54.849 54.840 0.077 0.000 0.869 159 L CB 0.588 42.683 42.059 0.059 0.000 1.123 159 L HN 0.500 nan 8.230 nan 0.000 0.484 160 V N 3.420 123.378 119.914 0.074 0.000 2.490 160 V HA -0.194 3.926 4.120 0.000 0.000 0.250 160 V C 2.269 178.384 176.094 0.035 0.000 1.061 160 V CA 2.158 64.493 62.300 0.059 0.000 1.064 160 V CB -0.718 31.133 31.823 0.046 0.000 0.670 160 V HN 1.115 nan 8.190 nan 0.000 0.461 161 G N -0.685 108.135 108.800 0.033 0.000 2.422 161 G HA2 -0.283 3.677 3.960 0.000 0.000 0.218 161 G HA3 -0.283 3.677 3.960 0.000 0.000 0.218 161 G C 1.554 176.473 174.900 0.031 0.000 1.146 161 G CA 0.973 46.088 45.100 0.025 0.000 0.769 161 G HN 0.574 nan 8.290 nan 0.000 0.547 162 E N 0.113 120.339 120.200 0.043 0.000 2.051 162 E HA 0.270 4.620 4.350 0.000 0.000 0.189 162 E C 1.346 177.980 176.600 0.056 0.000 0.979 162 E CA 0.798 57.229 56.400 0.051 0.000 0.803 162 E CB -0.116 29.620 29.700 0.060 0.000 0.761 162 E HN 0.474 nan 8.360 nan 0.000 0.451 163 G N -0.091 108.747 108.800 0.063 0.000 2.710 163 G HA2 -0.187 3.773 3.960 0.000 0.000 0.668 163 G HA3 -0.187 3.773 3.960 0.000 0.000 0.668 163 G C -0.961 173.988 174.900 0.081 0.000 1.320 163 G CA -0.313 44.825 45.100 0.065 0.000 0.860 163 G HN 0.289 nan 8.290 nan 0.000 0.538 164 V N 0.201 120.163 119.914 0.079 0.000 2.769 164 V HA 0.827 4.947 4.120 0.000 0.000 0.312 164 V C 0.329 176.450 176.094 0.046 0.000 1.061 164 V CA -0.101 62.252 62.300 0.089 0.000 0.931 164 V CB 2.369 34.255 31.823 0.104 0.000 1.010 164 V HN 1.170 nan 8.190 nan 0.000 0.433 165 T N 3.639 118.215 114.554 0.037 0.000 2.792 165 T HA 0.527 4.877 4.350 0.000 0.000 0.280 165 T C -0.593 174.073 174.700 -0.056 0.000 0.990 165 T CA -0.311 61.718 62.100 -0.119 0.000 0.960 165 T CB 1.466 70.089 68.868 -0.408 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.726 124.548 119.914 -0.153 0.000 2.370 166 V HA 0.487 4.607 4.120 0.000 0.000 0.279 166 V C -0.370 175.618 176.094 -0.177 0.000 1.029 166 V CA -0.748 61.472 62.300 -0.134 0.000 0.870 166 V CB 1.233 32.893 31.823 -0.272 0.000 0.984 166 V HN 0.650 nan 8.190 nan 0.000 0.451 167 L N 4.916 126.109 121.223 -0.050 0.000 2.333 167 L HA 0.592 4.932 4.340 0.000 0.000 0.280 167 L C 0.225 177.086 176.870 -0.015 0.000 1.004 167 L CA 0.241 55.054 54.840 -0.046 0.000 0.820 167 L CB 2.044 44.162 42.059 0.097 0.000 1.247 167 L HN 0.631 nan 8.230 nan 0.000 0.416 168 S N 5.990 121.667 115.700 -0.039 0.000 2.448 168 S HA 0.538 5.008 4.470 0.000 0.000 0.279 168 S C -0.412 174.188 174.600 0.000 0.000 1.195 168 S CA -0.523 57.666 58.200 -0.017 0.000 1.051 168 S CB -0.295 62.893 63.200 -0.019 0.000 0.948 168 S HN 0.606 nan 8.310 nan 0.000 0.493 169 L N 6.475 127.696 121.223 -0.003 0.000 2.331 169 L HA 0.569 4.909 4.340 0.000 0.000 0.275 169 L C -1.753 175.091 176.870 -0.044 0.000 1.022 169 L CA -2.355 52.480 54.840 -0.008 0.000 0.812 169 L CB 1.501 43.551 42.059 -0.016 0.000 1.257 169 L HN 0.526 nan 8.230 nan 0.000 0.435 170 P HA 0.089 nan 4.420 nan 0.000 0.271 170 P C -0.580 176.576 177.300 -0.241 0.000 1.218 170 P CA -0.208 62.752 63.100 -0.234 0.000 0.780 170 P CB 0.681 32.045 31.700 -0.559 0.000 0.901 171 T N -2.139 112.263 114.554 -0.252 0.000 3.331 171 T HA 0.493 4.843 4.350 0.000 0.000 0.381 171 T C -0.270 174.264 174.700 -0.276 0.000 1.656 171 T CA -0.679 61.291 62.100 -0.217 0.000 1.453 171 T CB -0.783 67.997 68.868 -0.146 0.000 1.066 171 T HN 0.628 nan 8.240 nan 0.000 0.655 172 S N 1.323 116.818 115.700 -0.342 0.000 2.912 172 S HA -0.102 4.368 4.470 0.000 0.000 0.857 172 S C -0.784 173.560 174.600 -0.427 0.000 0.919 172 S CA -0.680 57.334 58.200 -0.310 0.000 1.424 172 S CB -1.029 62.039 63.200 -0.220 0.000 1.019 172 S HN 0.719 nan 8.310 nan 0.000 0.231 173 Y N 2.087 122.354 120.300 -0.055 0.000 2.645 173 Y HA 0.463 5.013 4.550 0.000 0.000 0.341 173 Y C 1.322 177.183 175.900 -0.064 0.000 1.234 173 Y CA -0.254 57.810 58.100 -0.060 0.000 1.352 173 Y CB 0.429 38.855 38.460 -0.057 0.000 1.556 173 Y HN 0.772 nan 8.280 nan 0.000 0.607 174 D N 0.762 121.255 120.400 0.155 0.000 2.737 174 D HA -0.186 4.454 4.640 0.000 0.000 0.233 174 D C -1.058 175.268 176.300 0.044 0.000 1.155 174 D CA 0.759 54.800 54.000 0.069 0.000 0.667 174 D CB -1.106 39.724 40.800 0.051 0.000 1.060 174 D HN 0.268 nan 8.370 nan 0.000 0.427 175 L N -0.118 121.127 121.223 0.036 0.000 2.417 175 L HA 0.404 4.744 4.340 0.000 0.000 0.268 175 L C 1.828 178.777 176.870 0.131 0.000 1.158 175 L CA -0.137 54.713 54.840 0.017 0.000 0.819 175 L CB 0.843 42.855 42.059 -0.079 0.000 1.112 175 L HN 0.034 nan 8.230 nan 0.000 0.458 176 G N 0.554 109.500 108.800 0.242 0.000 2.606 176 G HA2 0.173 4.133 3.960 0.000 0.000 0.252 176 G HA3 0.173 4.133 3.960 0.000 0.000 0.252 176 G C -0.876 174.182 174.900 0.263 0.000 1.206 176 G CA -0.338 44.922 45.100 0.267 0.000 0.861 176 G HN 0.342 nan 8.290 nan 0.000 0.561 177 Y N -0.502 119.864 120.300 0.110 0.000 2.511 177 Y HA 0.232 4.782 4.550 0.000 0.000 0.332 177 Y C 0.891 176.849 175.900 0.097 0.000 1.177 177 Y CA 0.221 58.383 58.100 0.105 0.000 1.422 177 Y CB 1.041 39.540 38.460 0.064 0.000 1.271 177 Y HN 0.148 nan 8.280 nan 0.000 0.550 178 V N 5.365 125.319 119.914 0.066 0.000 2.427 178 V HA 0.314 4.434 4.120 0.000 0.000 0.286 178 V C 0.136 176.231 176.094 0.002 0.000 1.034 178 V CA -1.201 61.009 62.300 -0.149 0.000 0.893 178 V CB 1.371 32.871 31.823 -0.539 0.000 0.982 178 V HN 0.635 nan 8.190 nan 0.000 0.452 179 R N 3.850 124.310 120.500 -0.067 0.000 2.401 179 R HA 0.364 4.704 4.340 0.000 0.000 0.299 179 R C -0.430 175.736 176.300 -0.223 0.000 1.064 179 R CA -0.315 55.595 56.100 -0.316 0.000 1.000 179 R CB 0.295 30.374 30.300 -0.367 0.000 0.973 179 R HN 0.622 nan 8.270 nan 0.000 0.438 180 L N 2.132 123.227 121.223 -0.214 0.000 2.479 180 L HA 0.240 4.580 4.340 0.000 0.000 0.248 180 L C 1.491 178.305 176.870 -0.095 0.000 1.205 180 L CA -0.104 54.667 54.840 -0.114 0.000 0.817 180 L CB 0.555 42.573 42.059 -0.068 0.000 1.162 180 L HN 0.803 nan 8.230 nan 0.000 0.486 181 G N 0.212 108.992 108.800 -0.033 0.000 3.455 181 G HA2 0.041 4.001 3.960 0.000 0.000 0.250 181 G HA3 0.041 4.001 3.960 0.000 0.000 0.250 181 G C -0.062 174.817 174.900 -0.036 0.000 1.071 181 G CA -0.405 44.679 45.100 -0.027 0.000 1.812 181 G HN 0.707 nan 8.290 nan 0.000 0.643 182 D N 1.133 121.493 120.400 -0.067 0.000 2.382 182 D HA 0.135 4.775 4.640 0.000 0.000 0.245 182 D C -2.471 173.800 176.300 -0.049 0.000 1.120 182 D CA -1.552 52.413 54.000 -0.058 0.000 0.890 182 D CB 1.882 42.633 40.800 -0.082 0.000 1.201 182 D HN 0.071 nan 8.370 nan 0.000 0.433 183 P HA 0.152 nan 4.420 nan 0.000 0.268 183 P C -0.447 176.833 177.300 -0.033 0.000 1.205 183 P CA -0.409 62.673 63.100 -0.028 0.000 0.771 183 P CB 0.831 32.518 31.700 -0.021 0.000 0.858 184 I N 5.055 125.608 120.570 -0.028 0.000 2.562 184 I HA 0.406 4.576 4.170 0.000 0.000 0.301 184 I C -2.233 173.872 176.117 -0.019 0.000 1.003 184 I CA -3.104 58.180 61.300 -0.027 0.000 1.127 184 I CB 1.244 39.227 38.000 -0.028 0.000 1.304 184 I HN 0.209 nan 8.210 nan 0.000 0.446 185 P HA 0.436 nan 4.420 nan 0.000 0.267 185 P C -1.550 175.743 177.300 -0.011 0.000 1.209 185 P CA -0.155 62.937 63.100 -0.013 0.000 0.763 185 P CB 0.478 32.170 31.700 -0.012 0.000 0.816 186 A N 3.455 126.269 122.820 -0.010 0.000 2.566 186 A HA 0.691 5.011 4.320 0.000 0.000 0.297 186 A C -0.794 176.786 177.584 -0.007 0.000 1.059 186 A CA -0.693 51.339 52.037 -0.008 0.000 0.691 186 A CB 0.974 19.968 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.531 120.036 120.570 -0.006 0.000 2.603 187 I HA 1.008 5.178 4.170 0.000 0.000 0.300 187 I C 0.119 176.233 176.117 -0.004 0.000 1.017 187 I CA -0.869 60.428 61.300 -0.005 0.000 1.098 187 I CB 2.439 40.437 38.000 -0.004 0.000 1.279 187 I HN 0.973 nan 8.210 nan 0.000 0.437 188 G N 3.805 112.603 108.800 -0.003 0.000 2.673 188 G HA2 0.416 4.376 3.960 0.000 0.000 0.292 188 G HA3 0.416 4.376 3.960 0.000 0.000 0.292 188 G C -0.203 174.696 174.900 -0.002 0.000 1.450 188 G CA -0.879 44.219 45.100 -0.003 0.000 0.837 188 G HN 0.727 nan 8.290 nan 0.000 0.505 189 L N -0.352 120.870 121.223 -0.002 0.000 2.201 189 L HA 0.055 4.395 4.340 0.000 0.000 0.212 189 L C 0.827 177.696 176.870 -0.001 0.000 1.105 189 L CA 0.699 55.538 54.840 -0.002 0.000 0.775 189 L CB 0.082 42.139 42.059 -0.002 0.000 0.913 189 L HN 0.380 nan 8.230 nan 0.000 0.440 190 D N -0.293 120.106 120.400 -0.001 0.000 2.295 190 D HA 0.115 4.756 4.640 0.000 0.000 0.248 190 D C -1.531 174.768 176.300 -0.000 0.000 1.154 190 D CA -2.011 51.988 54.000 -0.001 0.000 0.857 190 D CB 1.756 42.555 40.800 -0.001 0.000 1.117 190 D HN -0.170 nan 8.370 nan 0.000 0.468 191 P HA -0.144 nan 4.420 nan 0.000 0.216 191 P C 0.484 177.785 177.300 0.002 0.000 1.154 191 P CA 1.342 64.442 63.100 0.001 0.000 0.865 191 P CB 0.265 31.966 31.700 0.002 0.000 0.789 192 K N -1.412 118.990 120.400 0.002 0.000 2.504 192 K HA 0.126 4.446 4.320 0.000 0.000 0.199 192 K C 0.757 177.358 176.600 0.003 0.000 1.028 192 K CA -0.247 56.042 56.287 0.004 0.000 1.164 192 K CB -0.291 32.212 32.500 0.004 0.000 0.877 192 K HN 0.194 nan 8.250 nan 0.000 0.508 193 M N 1.958 121.559 119.600 0.001 0.000 2.219 193 M HA 0.084 4.564 4.480 0.000 0.000 0.353 193 M C -1.064 175.236 176.300 -0.000 0.000 1.304 193 M CA 0.351 55.651 55.300 -0.000 0.000 1.115 193 M CB 0.693 33.292 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.656 124.569 119.914 -0.001 0.000 2.623 194 V HA 0.728 4.848 4.120 0.000 0.000 0.304 194 V C -0.695 175.397 176.094 -0.005 0.000 1.054 194 V CA -0.836 61.463 62.300 -0.001 0.000 0.882 194 V CB 1.699 33.523 31.823 0.002 0.000 1.002 194 V HN 0.951 nan 8.190 nan 0.000 0.424 195 A N 3.428 126.243 122.820 -0.009 0.000 2.357 195 A HA 0.914 5.234 4.320 0.000 0.000 0.295 195 A C -0.124 177.448 177.584 -0.020 0.000 1.121 195 A CA -0.279 51.749 52.037 -0.014 0.000 0.742 195 A CB 1.504 20.496 19.000 -0.014 0.000 1.181 195 A HN 0.947 nan 8.150 nan 0.000 0.454 196 T N -1.917 112.622 114.554 -0.025 0.000 2.907 196 T HA 0.609 4.959 4.350 0.000 0.000 0.290 196 T C -0.644 174.026 174.700 -0.050 0.000 1.066 196 T CA -0.793 61.286 62.100 -0.034 0.000 1.012 196 T CB 1.462 70.314 68.868 -0.027 0.000 1.184 196 T HN 1.050 nan 8.240 nan 0.000 0.522 197 C N 2.304 121.565 119.300 -0.066 0.000 2.293 197 C HA 0.646 5.107 4.460 0.000 0.000 0.323 197 C C -0.853 174.077 174.990 -0.100 0.000 1.240 197 C CA -0.476 58.492 59.018 -0.085 0.000 1.497 197 C CB -1.035 26.648 27.740 -0.095 0.000 2.171 197 C HN 0.883 nan 8.230 nan 0.000 0.465 198 D N 2.926 123.268 120.400 -0.097 0.000 2.277 198 D HA 0.308 4.948 4.640 0.000 0.000 0.250 198 D C -0.055 176.197 176.300 -0.080 0.000 1.032 198 D CA -0.000 53.952 54.000 -0.080 0.000 0.947 198 D CB 1.569 42.327 40.800 -0.070 0.000 1.159 198 D HN 0.552 nan 8.370 nan 0.000 0.460 199 S N 0.047 115.709 115.700 -0.064 0.000 2.629 199 S HA 0.117 4.587 4.470 0.000 0.000 0.302 199 S C 1.062 175.658 174.600 -0.006 0.000 1.244 199 S CA -0.107 58.049 58.200 -0.074 0.000 1.098 199 S CB 0.133 63.270 63.200 -0.106 0.000 0.858 199 S HN 0.523 nan 8.310 nan 0.000 0.502 200 S N 1.242 116.941 115.700 -0.002 0.000 3.019 200 S HA 0.119 4.590 4.470 0.000 0.000 0.258 200 S C -0.368 174.277 174.600 0.074 0.000 1.082 200 S CA -0.535 57.694 58.200 0.049 0.000 0.836 200 S CB -0.448 62.749 63.200 -0.006 0.000 0.834 200 S HN 0.572 nan 8.310 nan 0.000 0.457 201 D N 3.457 123.893 120.400 0.061 0.000 2.571 201 D HA 0.239 4.879 4.640 0.000 0.000 0.231 201 D C 0.114 176.485 176.300 0.119 0.000 1.133 201 D CA 0.623 54.679 54.000 0.092 0.000 0.862 201 D CB -0.058 40.811 40.800 0.115 0.000 1.179 201 D HN 0.177 nan 8.370 nan 0.000 0.474 202 R N -0.430 120.133 120.500 0.106 0.000 3.125 202 R HA -0.101 4.239 4.340 0.000 0.000 0.258 202 R C -2.481 173.864 176.300 0.075 0.000 0.968 202 R CA -0.030 56.126 56.100 0.094 0.000 0.656 202 R CB -1.841 28.546 30.300 0.145 0.000 1.251 202 R HN 0.453 nan 8.270 nan 0.000 0.428 203 P HA 0.087 nan 4.420 nan 0.000 0.272 203 P C -0.279 177.008 177.300 -0.022 0.000 1.230 203 P CA -0.127 62.995 63.100 0.036 0.000 0.788 203 P CB 0.740 32.470 31.700 0.050 0.000 0.949 204 R N 1.149 121.611 120.500 -0.063 0.000 2.407 204 R HA 0.523 4.863 4.340 0.000 0.000 0.303 204 R C -1.373 174.803 176.300 -0.208 0.000 0.981 204 R CA -0.736 55.268 56.100 -0.160 0.000 0.905 204 R CB 0.903 31.090 30.300 -0.188 0.000 1.099 204 R HN 0.259 nan 8.270 nan 0.000 0.459 205 V N 5.446 125.201 119.914 -0.264 0.000 2.487 205 V HA 0.365 4.485 4.120 0.000 0.000 0.298 205 V C -1.208 174.712 176.094 -0.291 0.000 1.028 205 V CA -0.704 61.477 62.300 -0.197 0.000 0.860 205 V CB 1.475 33.239 31.823 -0.099 0.000 0.991 205 V HN 0.689 nan 8.190 nan 0.000 0.427 206 Y N 1.815 122.095 120.300 -0.034 0.000 2.342 206 Y HA 0.602 5.152 4.550 0.000 0.000 0.334 206 Y C 0.755 176.617 175.900 -0.064 0.000 1.067 206 Y CA -0.517 57.559 58.100 -0.040 0.000 1.128 206 Y CB 2.038 40.481 38.460 -0.029 0.000 1.200 206 Y HN 0.497 nan 8.280 nan 0.000 0.464 207 T N 5.159 119.759 114.554 0.076 0.000 2.786 207 T HA 0.579 4.929 4.350 0.000 0.000 0.283 207 T C -0.581 174.073 174.700 -0.077 0.000 0.992 207 T CA -0.522 61.566 62.100 -0.020 0.000 0.954 207 T CB 0.332 69.178 68.868 -0.036 0.000 0.934 207 T HN 0.379 nan 8.240 nan 0.000 0.440 208 I N 2.881 123.344 120.570 -0.177 0.000 2.411 208 I HA 0.246 4.416 4.170 0.000 0.000 0.284 208 I C 0.239 176.145 176.117 -0.351 0.000 1.012 208 I CA -0.637 60.464 61.300 -0.331 0.000 1.119 208 I CB 1.722 39.365 38.000 -0.594 0.000 1.261 208 I HN 0.478 nan 8.210 nan 0.000 0.448 209 T N 5.769 120.166 114.554 -0.262 0.000 2.863 209 T HA 0.210 4.560 4.350 0.000 0.000 0.299 209 T C 1.200 175.747 174.700 -0.255 0.000 0.973 209 T CA -0.235 61.738 62.100 -0.211 0.000 0.994 209 T CB 1.092 69.886 68.868 -0.123 0.000 0.961 209 T HN 0.752 nan 8.240 nan 0.000 0.552 210 A N 2.932 125.567 122.820 -0.308 0.000 2.014 210 A HA 0.567 4.887 4.320 0.000 0.000 0.218 210 A C 1.210 178.759 177.584 -0.058 0.000 1.163 210 A CA 0.575 52.459 52.037 -0.254 0.000 0.652 210 A CB 0.113 19.036 19.000 -0.129 0.000 0.808 210 A HN 0.890 nan 8.150 nan 0.000 0.449 211 A N -0.841 121.953 122.820 -0.043 0.000 2.540 211 A HA 0.543 4.863 4.320 0.000 0.000 0.297 211 A C -2.004 175.598 177.584 0.029 0.000 1.056 211 A CA -0.354 51.709 52.037 0.044 0.000 0.700 211 A CB 1.045 20.114 19.000 0.116 0.000 1.280 211 A HN 0.025 nan 8.150 nan 0.000 0.398 212 D N 2.167 122.611 120.400 0.073 0.000 2.375 212 D HA 0.430 5.070 4.640 0.000 0.000 0.259 212 D C -0.783 175.569 176.300 0.086 0.000 1.235 212 D CA 0.253 54.284 54.000 0.051 0.000 0.924 212 D CB 0.464 41.281 40.800 0.029 0.000 1.143 212 D HN 0.471 nan 8.370 nan 0.000 0.529 213 D N 2.083 122.533 120.400 0.083 0.000 2.686 213 D HA -0.297 4.343 4.640 0.000 0.000 0.235 213 D C -0.497 175.884 176.300 0.136 0.000 1.160 213 D CA 0.579 54.635 54.000 0.094 0.000 0.645 213 D CB -1.795 39.038 40.800 0.055 0.000 1.039 213 D HN 0.453 nan 8.370 nan 0.000 0.423 214 Y N 1.309 121.669 120.300 0.099 0.000 2.537 214 Y HA 0.138 4.688 4.550 0.000 0.000 0.339 214 Y C 0.501 176.491 175.900 0.150 0.000 1.066 214 Y CA -0.100 58.075 58.100 0.126 0.000 1.357 214 Y CB 0.517 39.078 38.460 0.170 0.000 1.175 214 Y HN -0.018 nan 8.280 nan 0.000 0.525 215 Q N 7.375 126.786 119.800 -0.649 0.000 2.288 215 Q HA 0.161 4.501 4.340 0.000 0.000 0.258 215 Q C -1.203 174.196 176.000 -1.001 0.000 0.957 215 Q CA -0.265 55.191 55.803 -0.577 0.000 0.919 215 Q CB 1.496 30.027 28.738 -0.345 0.000 1.185 215 Q HN 0.753 nan 8.270 nan 0.000 0.408 216 F N 1.190 120.598 119.950 -0.903 0.000 2.469 216 F HA 0.513 5.040 4.527 0.000 0.000 0.332 216 F C -0.601 174.836 175.800 -0.605 0.000 1.103 216 F CA -0.521 56.927 58.000 -0.920 0.000 0.979 216 F CB 1.794 39.754 39.000 -1.734 0.000 1.137 216 F HN 0.373 nan 8.300 nan 0.000 0.463 217 S N 4.046 118.986 115.700 -1.267 0.000 2.603 217 S HA 0.672 5.142 4.470 0.000 0.000 0.274 217 S C -1.463 172.591 174.600 -0.909 0.000 1.168 217 S CA -0.387 57.293 58.200 -0.867 0.000 0.963 217 S CB 1.235 64.165 63.200 -0.449 0.000 1.078 217 S HN 0.951 nan 8.310 nan 0.000 0.477 218 S N 2.783 118.098 115.700 -0.642 0.000 2.565 218 S HA 0.402 4.872 4.470 0.000 0.000 0.274 218 S C -1.828 172.699 174.600 -0.123 0.000 1.144 218 S CA -0.617 57.361 58.200 -0.370 0.000 0.849 218 S CB 1.439 64.408 63.200 -0.385 0.000 1.103 218 S HN 0.747 nan 8.310 nan 0.000 0.455 219 Q N 1.593 121.362 119.800 -0.052 0.000 2.354 219 Q HA 0.205 4.545 4.340 0.000 0.000 0.244 219 Q C -0.730 175.328 176.000 0.096 0.000 0.969 219 Q CA -0.213 55.607 55.803 0.028 0.000 0.885 219 Q CB 0.512 29.260 28.738 0.016 0.000 1.241 219 Q HN 0.721 nan 8.270 nan 0.000 0.461 220 Y N 1.813 122.130 120.300 0.028 0.000 2.788 220 Y HA -0.075 4.475 4.550 0.000 0.000 0.341 220 Y C -0.489 175.438 175.900 0.045 0.000 1.258 220 Y CA 0.632 58.761 58.100 0.049 0.000 1.503 220 Y CB 0.469 38.954 38.460 0.041 0.000 1.325 220 Y HN 0.482 nan 8.280 nan 0.000 0.614 221 Q N 6.902 126.196 119.800 -0.844 0.000 2.268 221 Q HA 0.418 4.759 4.340 0.000 0.000 0.266 221 Q C -2.967 172.461 176.000 -0.954 0.000 1.006 221 Q CA -2.538 52.791 55.803 -0.789 0.000 0.824 221 Q CB 2.051 30.626 28.738 -0.273 0.000 1.306 221 Q HN 0.415 nan 8.270 nan 0.000 0.424 222 P HA 0.150 nan 4.420 nan 0.000 0.263 222 P C 0.516 177.734 177.300 -0.137 0.000 1.195 222 P CA 1.344 64.286 63.100 -0.262 0.000 0.762 222 P CB 0.755 32.389 31.700 -0.111 0.000 0.799 223 G N 2.159 110.933 108.800 -0.044 0.000 2.268 223 G HA2 0.008 3.968 3.960 0.000 0.000 0.240 223 G HA3 0.008 3.968 3.960 0.000 0.000 0.240 223 G C 0.462 175.358 174.900 -0.007 0.000 1.010 223 G CA 0.234 45.323 45.100 -0.018 0.000 0.618 223 G HN 1.068 nan 8.290 nan 0.000 0.516 224 G N -2.284 106.497 108.800 -0.032 0.000 2.566 224 G HA2 0.322 4.282 3.960 0.000 0.000 0.599 224 G HA3 0.322 4.282 3.960 0.000 0.000 0.599 224 G C -0.594 174.325 174.900 0.032 0.000 1.292 224 G CA 0.084 45.198 45.100 0.023 0.000 0.922 224 G HN 1.548 nan 8.290 nan 0.000 0.514 225 V N 0.844 120.820 119.914 0.103 0.000 2.407 225 V HA 0.649 4.769 4.120 0.000 0.000 0.291 225 V C 0.417 176.601 176.094 0.149 0.000 1.018 225 V CA -0.226 62.161 62.300 0.146 0.000 0.842 225 V CB 1.575 33.553 31.823 0.258 0.000 0.996 225 V HN 0.999 nan 8.190 nan 0.000 0.426 226 T N 6.873 121.495 114.554 0.112 0.000 2.799 226 T HA 0.727 5.077 4.350 0.000 0.000 0.286 226 T C -0.181 174.594 174.700 0.126 0.000 0.973 226 T CA -0.084 62.074 62.100 0.097 0.000 1.035 226 T CB 0.885 69.792 68.868 0.064 0.000 0.932 226 T HN 0.650 nan 8.240 nan 0.000 0.469 227 I N -0.687 119.964 120.570 0.135 0.000 2.785 227 I HA 0.663 4.833 4.170 0.000 0.000 0.302 227 I C -0.450 175.728 176.117 0.100 0.000 1.069 227 I CA -0.936 60.455 61.300 0.151 0.000 1.045 227 I CB 2.339 40.490 38.000 0.252 0.000 1.236 227 I HN 0.300 nan 8.210 nan 0.000 0.429 228 T N 4.975 119.567 114.554 0.063 0.000 2.832 228 T HA 0.241 4.591 4.350 0.000 0.000 0.313 228 T C 0.733 175.441 174.700 0.013 0.000 1.035 228 T CA -0.271 61.834 62.100 0.010 0.000 0.950 228 T CB 1.055 69.905 68.868 -0.030 0.000 0.984 228 T HN 0.593 nan 8.240 nan 0.000 0.486 229 L N 4.518 125.755 121.223 0.024 0.000 2.046 229 L HA 0.241 4.581 4.340 0.000 0.000 0.208 229 L C 0.212 177.152 176.870 0.117 0.000 1.077 229 L CA 1.755 56.638 54.840 0.071 0.000 0.747 229 L CB -0.278 41.895 42.059 0.189 0.000 0.896 229 L HN 0.710 nan 8.230 nan 0.000 0.432 230 F N -3.281 116.664 119.950 -0.008 0.000 2.713 230 F HA 0.650 5.177 4.527 0.000 0.000 0.311 230 F C -0.727 175.067 175.800 -0.011 0.000 1.141 230 F CA -0.907 57.076 58.000 -0.028 0.000 0.939 230 F CB 0.731 39.704 39.000 -0.045 0.000 1.325 230 F HN -0.304 nan 8.300 nan 0.000 0.453 231 S N 1.172 116.991 115.700 0.198 0.000 2.575 231 S HA 0.895 5.365 4.470 0.000 0.000 0.278 231 S C -1.523 173.200 174.600 0.205 0.000 1.139 231 S CA 0.090 58.346 58.200 0.094 0.000 0.954 231 S CB 1.262 64.462 63.200 0.000 0.000 1.054 231 S HN 1.682 nan 8.310 nan 0.000 0.483 232 A N 3.868 126.792 122.820 0.173 0.000 2.455 232 A HA 0.704 5.024 4.320 0.000 0.000 0.300 232 A C -1.185 176.386 177.584 -0.022 0.000 1.040 232 A CA -0.888 51.197 52.037 0.080 0.000 0.697 232 A CB 1.058 20.105 19.000 0.077 0.000 1.265 232 A HN 0.716 nan 8.150 nan 0.000 0.407 233 N N 1.479 120.148 118.700 -0.051 0.000 2.442 233 N HA 0.520 5.260 4.740 0.000 0.000 0.265 233 N C -0.215 175.163 175.510 -0.220 0.000 1.138 233 N CA 0.286 53.290 53.050 -0.077 0.000 0.956 233 N CB 0.493 38.970 38.487 -0.017 0.000 1.067 233 N HN 0.744 nan 8.380 nan 0.000 0.474 234 I N -2.152 118.263 120.570 -0.258 0.000 3.174 234 I HA 0.614 4.784 4.170 0.000 0.000 0.313 234 I C -1.045 175.019 176.117 -0.087 0.000 1.155 234 I CA -0.965 60.037 61.300 -0.496 0.000 0.977 234 I CB 2.669 40.206 38.000 -0.773 0.000 1.248 234 I HN 0.027 nan 8.210 nan 0.000 0.453 235 D N 2.100 122.559 120.400 0.099 0.000 2.646 235 D HA 0.722 5.362 4.640 0.000 0.000 0.245 235 D C -1.158 175.227 176.300 0.141 0.000 1.099 235 D CA -0.228 53.859 54.000 0.146 0.000 0.849 235 D CB 2.395 43.312 40.800 0.195 0.000 1.448 235 D HN 0.903 nan 8.370 nan 0.000 0.489 236 A N 1.988 124.857 122.820 0.081 0.000 2.517 236 A HA 0.522 4.842 4.320 0.000 0.000 0.297 236 A C -0.201 177.386 177.584 0.006 0.000 1.050 236 A CA -0.516 51.554 52.037 0.056 0.000 0.694 236 A CB 0.906 19.938 19.000 0.054 0.000 1.277 236 A HN 0.552 nan 8.150 nan 0.000 0.400 237 I N 0.535 121.092 120.570 -0.020 0.000 4.124 237 I HA 0.117 4.287 4.170 0.000 0.000 0.311 237 I C 1.274 177.380 176.117 -0.018 0.000 1.259 237 I CA 1.077 62.325 61.300 -0.086 0.000 1.315 237 I CB 0.653 38.504 38.000 -0.248 0.000 1.223 237 I HN 0.792 nan 8.210 nan 0.000 0.441 238 T N -1.443 113.139 114.554 0.046 0.000 2.804 238 T HA 0.408 4.758 4.350 0.000 0.000 0.272 238 T C 0.327 175.078 174.700 0.085 0.000 0.986 238 T CA -0.491 61.655 62.100 0.076 0.000 0.999 238 T CB 1.158 70.101 68.868 0.125 0.000 1.307 238 T HN 0.127 nan 8.240 nan 0.000 0.586 239 S N 0.623 116.391 115.700 0.113 0.000 2.558 239 S HA 0.368 4.838 4.470 0.000 0.000 0.291 239 S C 0.041 174.753 174.600 0.187 0.000 1.306 239 S CA -0.427 57.868 58.200 0.158 0.000 1.056 239 S CB -0.986 62.327 63.200 0.188 0.000 0.836 239 S HN 1.185 nan 8.310 nan 0.000 0.504 240 L N -0.500 120.795 121.223 0.119 0.000 2.491 240 L HA 0.951 5.291 4.340 0.000 0.000 0.254 240 L C -0.653 176.224 176.870 0.012 0.000 1.048 240 L CA -1.008 53.801 54.840 -0.052 0.000 0.855 240 L CB 1.859 43.904 42.059 -0.024 0.000 1.466 240 L HN 0.855 nan 8.230 nan 0.000 0.409 241 S N -0.226 115.438 115.700 -0.061 0.000 2.569 241 S HA 0.888 5.358 4.470 0.000 0.000 0.280 241 S C -1.083 173.543 174.600 0.044 0.000 1.111 241 S CA -0.688 57.541 58.200 0.049 0.000 0.887 241 S CB 1.978 65.252 63.200 0.125 0.000 1.095 241 S HN 0.662 nan 8.310 nan 0.000 0.476 242 V N 1.470 121.438 119.914 0.089 0.000 2.487 242 V HA 0.843 4.963 4.120 0.000 0.000 0.298 242 V C 0.689 176.867 176.094 0.140 0.000 1.028 242 V CA 0.004 62.369 62.300 0.108 0.000 0.860 242 V CB 1.207 33.127 31.823 0.163 0.000 0.991 242 V HN 1.250 nan 8.190 nan 0.000 0.427 243 G N 1.790 110.645 108.800 0.093 0.000 2.714 243 G HA2 0.908 4.868 3.960 0.000 0.000 0.292 243 G HA3 0.908 4.868 3.960 0.000 0.000 0.292 243 G C -0.142 174.793 174.900 0.058 0.000 1.308 243 G CA -0.223 44.942 45.100 0.107 0.000 0.964 243 G HN 1.492 nan 8.290 nan 0.000 0.484 244 G N -1.146 107.705 108.800 0.085 0.000 2.422 244 G HA2 0.350 4.310 3.960 0.000 0.000 0.607 244 G HA3 0.350 4.310 3.960 0.000 0.000 0.607 244 G C -0.975 174.011 174.900 0.144 0.000 1.270 244 G CA 0.068 45.187 45.100 0.032 0.000 0.992 244 G HN 0.939 nan 8.290 nan 0.000 0.499 245 E N -1.165 119.087 120.200 0.085 0.000 2.354 245 E HA 0.549 4.899 4.350 0.000 0.000 0.283 245 E C -0.957 175.699 176.600 0.095 0.000 0.938 245 E CA -0.767 55.744 56.400 0.185 0.000 0.777 245 E CB 1.567 31.333 29.700 0.111 0.000 1.222 245 E HN 0.605 nan 8.360 nan 0.000 0.423 246 L N 2.945 124.277 121.223 0.182 0.000 2.325 246 L HA 0.636 4.976 4.340 0.000 0.000 0.278 246 L C -0.663 176.149 176.870 -0.096 0.000 1.023 246 L CA -1.113 53.709 54.840 -0.031 0.000 0.811 246 L CB 1.787 43.823 42.059 -0.039 0.000 1.249 246 L HN 0.297 nan 8.230 nan 0.000 0.431 247 V N 2.571 122.326 119.914 -0.265 0.000 2.448 247 V HA 0.445 4.565 4.120 0.000 0.000 0.295 247 V C -0.696 175.197 176.094 -0.335 0.000 1.025 247 V CA -0.442 61.766 62.300 -0.155 0.000 0.859 247 V CB 1.630 33.417 31.823 -0.060 0.000 0.988 247 V HN 0.371 nan 8.190 nan 0.000 0.431 248 F N 4.328 124.265 119.950 -0.022 0.000 2.469 248 F HA 0.715 5.242 4.527 0.000 0.000 0.332 248 F C 0.556 176.375 175.800 0.031 0.000 1.103 248 F CA -0.686 57.299 58.000 -0.025 0.000 0.979 248 F CB 1.690 40.576 39.000 -0.190 0.000 1.137 248 F HN 0.252 nan 8.300 nan 0.000 0.463 249 R N 1.141 121.798 120.500 0.261 0.000 2.803 249 R HA 0.760 5.100 4.340 0.000 0.000 0.276 249 R C -0.829 175.611 176.300 0.232 0.000 0.978 249 R CA -0.808 55.405 56.100 0.188 0.000 0.939 249 R CB 2.155 32.533 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.040 113.603 114.554 0.148 0.000 2.885 250 T HA 0.228 4.578 4.350 0.000 0.000 0.322 250 T C -0.004 174.712 174.700 0.027 0.000 1.387 250 T CA -0.404 61.775 62.100 0.132 0.000 1.041 250 T CB 1.428 70.402 68.868 0.177 0.000 1.287 250 T HN 0.452 nan 8.240 nan 0.000 0.491 251 S N 0.943 116.648 115.700 0.007 0.000 2.511 251 S HA 0.243 4.713 4.470 0.000 0.000 0.214 251 S C 0.409 174.925 174.600 -0.139 0.000 0.997 251 S CA -0.121 58.043 58.200 -0.059 0.000 0.908 251 S CB 0.362 63.553 63.200 -0.015 0.000 0.803 251 S HN 0.593 nan 8.310 nan 0.000 0.504 252 V N 3.807 123.673 119.914 -0.080 0.000 2.439 252 V HA 0.295 4.415 4.120 0.000 0.000 0.282 252 V C 0.031 176.060 176.094 -0.109 0.000 1.039 252 V CA -0.826 61.442 62.300 -0.054 0.000 0.913 252 V CB 0.637 32.489 31.823 0.049 0.000 0.983 252 V HN 0.413 nan 8.190 nan 0.000 0.460 253 H N 2.831 121.926 119.070 0.042 0.000 2.562 253 H HA 0.345 4.901 4.556 0.000 0.000 0.352 253 H C 1.265 176.607 175.328 0.024 0.000 1.125 253 H CA 0.832 56.898 56.048 0.030 0.000 1.379 253 H CB 1.384 31.156 29.762 0.016 0.000 1.464 253 H HN 1.015 nan 8.280 nan 0.000 0.563 254 G N 2.647 111.531 108.800 0.140 0.000 2.176 254 G HA2 -0.239 3.721 3.960 0.000 0.000 0.252 254 G HA3 -0.239 3.721 3.960 0.000 0.000 0.252 254 G C 0.075 175.010 174.900 0.058 0.000 1.024 254 G CA -0.157 44.990 45.100 0.079 0.000 0.755 254 G HN 0.461 nan 8.290 nan 0.000 0.507 255 L N -0.040 121.221 121.223 0.063 0.000 2.326 255 L HA 0.580 4.920 4.340 0.000 0.000 0.278 255 L C 0.467 177.344 176.870 0.012 0.000 1.092 255 L CA -0.826 54.055 54.840 0.067 0.000 0.810 255 L CB 1.576 43.705 42.059 0.116 0.000 1.153 255 L HN -0.042 nan 8.230 nan 0.000 0.439 256 V N 4.950 124.867 119.914 0.005 0.000 2.487 256 V HA 0.431 4.551 4.120 0.000 0.000 0.298 256 V C 0.014 176.049 176.094 -0.097 0.000 1.028 256 V CA -0.486 61.786 62.300 -0.047 0.000 0.860 256 V CB 2.131 33.943 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.951 125.056 121.223 -0.197 0.000 2.317 257 L HA 0.808 5.148 4.340 0.000 0.000 0.281 257 L C 0.582 177.316 176.870 -0.226 0.000 1.024 257 L CA -0.323 54.340 54.840 -0.295 0.000 0.810 257 L CB 1.926 43.628 42.059 -0.595 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.751 110.442 108.800 -0.181 0.000 2.452 258 G HA2 0.770 4.730 3.960 0.000 0.000 0.324 258 G HA3 0.770 4.730 3.960 0.000 0.000 0.324 258 G C -1.386 173.429 174.900 -0.140 0.000 1.214 258 G CA -0.388 44.629 45.100 -0.138 0.000 0.947 258 G HN 0.735 nan 8.290 nan 0.000 0.478 259 A N 1.157 123.895 122.820 -0.136 0.000 2.488 259 A HA 0.868 5.188 4.320 0.000 0.000 0.298 259 A C -0.455 177.053 177.584 -0.126 0.000 1.044 259 A CA -0.573 51.401 52.037 -0.104 0.000 0.693 259 A CB 1.866 20.807 19.000 -0.099 0.000 1.272 259 A HN 0.787 nan 8.150 nan 0.000 0.402 260 T N 2.422 116.909 114.554 -0.112 0.000 2.886 260 T HA 0.552 4.902 4.350 0.000 0.000 0.292 260 T C -0.584 173.952 174.700 -0.272 0.000 1.012 260 T CA -0.234 61.715 62.100 -0.253 0.000 0.982 260 T CB 1.123 69.762 68.868 -0.381 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 3.010 123.405 120.570 -0.291 0.000 2.359 261 I HA 0.403 4.573 4.170 0.000 0.000 0.294 261 I C -1.067 174.842 176.117 -0.346 0.000 0.987 261 I CA -0.788 60.404 61.300 -0.180 0.000 1.225 261 I CB 1.079 39.091 38.000 0.020 0.000 1.366 261 I HN 0.630 nan 8.210 nan 0.000 0.466 262 Y N 6.237 126.513 120.300 -0.040 0.000 2.364 262 Y HA 0.494 5.045 4.550 0.000 0.000 0.340 262 Y C -0.296 175.584 175.900 -0.034 0.000 0.975 262 Y CA -0.727 57.351 58.100 -0.037 0.000 1.089 262 Y CB 1.554 39.984 38.460 -0.051 0.000 1.192 262 Y HN 0.296 nan 8.280 nan 0.000 0.454 263 L N 5.257 126.550 121.223 0.116 0.000 2.287 263 L HA 0.464 4.804 4.340 0.000 0.000 0.287 263 L C -0.823 176.084 176.870 0.061 0.000 1.022 263 L CA -0.589 54.291 54.840 0.066 0.000 0.814 263 L CB 0.727 42.810 42.059 0.039 0.000 1.217 263 L HN 0.477 nan 8.230 nan 0.000 0.420 264 I N 2.382 122.976 120.570 0.039 0.000 2.392 264 I HA 0.407 4.577 4.170 0.000 0.000 0.295 264 I C 0.900 177.028 176.117 0.019 0.000 0.985 264 I CA -0.226 61.085 61.300 0.020 0.000 1.221 264 I CB 1.431 39.426 38.000 -0.008 0.000 1.366 264 I HN 0.555 nan 8.210 nan 0.000 0.467 265 G N 3.280 112.092 108.800 0.020 0.000 2.562 265 G HA2 0.180 4.140 3.960 0.000 0.000 0.275 265 G HA3 0.180 4.140 3.960 0.000 0.000 0.275 265 G C 0.448 175.395 174.900 0.079 0.000 1.196 265 G CA -0.340 44.790 45.100 0.051 0.000 0.908 265 G HN 0.592 nan 8.290 nan 0.000 0.524 266 F N 0.689 120.621 119.950 -0.031 0.000 2.192 266 F HA -0.164 4.363 4.527 0.000 0.000 0.301 266 F C 2.163 177.877 175.800 -0.144 0.000 1.079 266 F CA 2.033 59.943 58.000 -0.151 0.000 1.303 266 F CB 0.238 39.025 39.000 -0.355 0.000 1.024 266 F HN 0.437 nan 8.300 nan 0.000 0.494 267 D N -1.029 119.362 120.400 -0.016 0.000 2.319 267 D HA 0.153 4.793 4.640 0.000 0.000 0.230 267 D C 1.782 178.053 176.300 -0.047 0.000 1.094 267 D CA 0.680 54.666 54.000 -0.024 0.000 0.856 267 D CB -0.590 40.361 40.800 0.252 0.000 0.915 267 D HN 0.401 nan 8.370 nan 0.000 0.517 268 G N -0.622 108.129 108.800 -0.082 0.000 2.179 268 G HA2 -0.279 3.682 3.960 0.000 0.000 0.260 268 G HA3 -0.279 3.682 3.960 0.000 0.000 0.260 268 G C 0.471 175.348 174.900 -0.038 0.000 0.977 268 G CA 0.486 45.542 45.100 -0.073 0.000 0.641 268 G HN 0.512 nan 8.290 nan 0.000 0.533 269 T N 1.680 116.234 114.554 -0.001 0.000 2.910 269 T HA 0.506 4.856 4.350 0.000 0.000 0.293 269 T C 0.707 175.413 174.700 0.010 0.000 1.015 269 T CA 0.623 62.731 62.100 0.013 0.000 1.094 269 T CB 0.840 69.738 68.868 0.050 0.000 0.968 269 T HN 0.195 nan 8.240 nan 0.000 0.521 270 T N 3.621 118.184 114.554 0.014 0.000 2.769 270 T HA 0.149 4.499 4.350 0.000 0.000 0.293 270 T C 1.466 176.193 174.700 0.045 0.000 0.931 270 T CA -0.471 61.657 62.100 0.047 0.000 1.139 270 T CB 0.692 69.612 68.868 0.087 0.000 0.881 270 T HN 0.364 nan 8.240 nan 0.000 0.532 271 V N 4.125 124.060 119.914 0.036 0.000 2.426 271 V HA 0.266 4.386 4.120 0.000 0.000 0.242 271 V C 0.713 176.821 176.094 0.024 0.000 1.036 271 V CA 0.920 63.226 62.300 0.010 0.000 1.044 271 V CB -0.031 31.781 31.823 -0.017 0.000 0.688 271 V HN 0.723 nan 8.190 nan 0.000 0.462 272 I N -0.378 120.216 120.570 0.040 0.000 2.619 272 I HA 0.434 4.604 4.170 0.000 0.000 0.292 272 I C -0.579 175.554 176.117 0.027 0.000 1.100 272 I CA -0.060 61.256 61.300 0.026 0.000 1.043 272 I CB 2.439 40.447 38.000 0.013 0.000 1.239 272 I HN 0.047 nan 8.210 nan 0.000 0.420 273 T N 5.694 120.237 114.554 -0.018 0.000 2.840 273 T HA 0.577 4.927 4.350 0.000 0.000 0.287 273 T C -1.007 173.591 174.700 -0.169 0.000 0.991 273 T CA -0.668 61.349 62.100 -0.139 0.000 0.964 273 T CB 0.694 69.524 68.868 -0.064 0.000 0.954 273 T HN 0.418 nan 8.240 nan 0.000 0.438 274 R N 3.323 123.681 120.500 -0.237 0.000 2.483 274 R HA 0.597 4.937 4.340 0.000 0.000 0.303 274 R C -0.279 175.896 176.300 -0.208 0.000 0.987 274 R CA -0.687 55.312 56.100 -0.168 0.000 0.881 274 R CB 1.534 31.775 30.300 -0.098 0.000 1.177 274 R HN 0.848 nan 8.270 nan 0.000 0.451 275 A N 2.788 125.503 122.820 -0.176 0.000 2.491 275 A HA 0.186 4.506 4.320 0.000 0.000 0.261 275 A C 1.088 178.566 177.584 -0.176 0.000 1.101 275 A CA -0.181 51.753 52.037 -0.172 0.000 0.772 275 A CB 0.365 19.287 19.000 -0.129 0.000 1.043 275 A HN 0.525 nan 8.150 nan 0.000 0.501 276 V N 1.996 121.777 119.914 -0.223 0.000 2.949 276 V HA 0.350 4.470 4.120 0.000 0.000 0.245 276 V C 1.111 177.019 176.094 -0.309 0.000 1.086 276 V CA 1.702 63.807 62.300 -0.325 0.000 1.097 276 V CB -0.140 31.361 31.823 -0.536 0.000 0.762 276 V HN 1.190 nan 8.190 nan 0.000 0.470 277 A N -0.270 122.404 122.820 -0.243 0.000 2.485 277 A HA 0.819 5.139 4.320 0.000 0.000 0.285 277 A C -0.712 176.775 177.584 -0.160 0.000 1.045 277 A CA 0.209 52.128 52.037 -0.197 0.000 0.792 277 A CB 1.052 19.922 19.000 -0.216 0.000 1.307 277 A HN 0.411 nan 8.150 nan 0.000 0.406 278 A N 2.270 125.014 122.820 -0.126 0.000 2.337 278 A HA 0.789 5.109 4.320 0.000 0.000 0.331 278 A C 0.343 177.872 177.584 -0.091 0.000 1.137 278 A CA -0.118 51.858 52.037 -0.101 0.000 0.807 278 A CB 0.316 19.268 19.000 -0.079 0.000 1.250 278 A HN 2.299 nan 8.150 nan 0.000 0.468 279 N N 1.008 119.660 118.700 -0.079 0.000 2.558 279 N HA -0.225 4.515 4.740 0.000 0.000 0.302 279 N C -0.902 174.561 175.510 -0.079 0.000 1.322 279 N CA 1.035 54.045 53.050 -0.066 0.000 0.687 279 N CB -0.376 38.085 38.487 -0.043 0.000 0.992 279 N HN 0.776 nan 8.380 nan 0.000 0.524 280 N N 2.523 121.164 118.700 -0.099 0.000 2.621 280 N HA 0.310 5.050 4.740 0.000 0.000 0.271 280 N C -0.375 175.067 175.510 -0.114 0.000 1.181 280 N CA 0.146 53.129 53.050 -0.113 0.000 0.805 280 N CB 1.017 39.408 38.487 -0.159 0.000 1.351 280 N HN 0.581 nan 8.380 nan 0.000 0.539 281 G N 2.357 111.115 108.800 -0.070 0.000 2.398 281 G HA2 0.368 4.328 3.960 0.000 0.000 0.246 281 G HA3 0.368 4.328 3.960 0.000 0.000 0.246 281 G C -0.024 174.844 174.900 -0.054 0.000 1.289 281 G CA -0.121 44.950 45.100 -0.048 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.898 123.095 121.223 -0.044 0.000 2.295 282 L HA 0.349 4.689 4.340 0.000 0.000 0.285 282 L C 0.432 177.308 176.870 0.009 0.000 1.035 282 L CA -0.700 54.123 54.840 -0.029 0.000 0.806 282 L CB 1.734 43.770 42.059 -0.038 0.000 1.214 282 L HN 0.393 nan 8.230 nan 0.000 0.426 283 T N 0.684 115.249 114.554 0.019 0.000 2.882 283 T HA 0.222 4.572 4.350 0.000 0.000 0.287 283 T C 0.324 175.031 174.700 0.013 0.000 0.992 283 T CA -0.459 61.659 62.100 0.031 0.000 1.076 283 T CB 1.269 70.159 68.868 0.037 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.266 116.811 114.554 -0.017 0.000 2.919 284 T HA 0.420 4.770 4.350 0.000 0.000 0.302 284 T C 1.440 176.137 174.700 -0.004 0.000 1.031 284 T CA 0.689 62.745 62.100 -0.074 0.000 1.127 284 T CB 0.449 69.174 68.868 -0.239 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.839 111.640 108.800 0.002 0.000 2.203 285 G HA2 -0.232 3.728 3.960 0.000 0.000 0.263 285 G HA3 -0.232 3.728 3.960 0.000 0.000 0.263 285 G C 0.201 175.119 174.900 0.030 0.000 1.012 285 G CA 0.386 45.498 45.100 0.021 0.000 0.749 285 G HN 0.913 nan 8.290 nan 0.000 0.512 286 T N -0.225 114.351 114.554 0.036 0.000 2.883 286 T HA 0.489 4.839 4.350 0.000 0.000 0.301 286 T C -0.885 173.845 174.700 0.050 0.000 1.158 286 T CA -0.846 61.277 62.100 0.039 0.000 1.007 286 T CB 1.875 70.764 68.868 0.036 0.000 1.186 286 T HN 0.072 nan 8.240 nan 0.000 0.499 287 D N 2.210 122.638 120.400 0.046 0.000 2.425 287 D HA 0.174 4.814 4.640 0.000 0.000 0.247 287 D C -0.315 176.023 176.300 0.063 0.000 1.147 287 D CA 0.308 54.341 54.000 0.054 0.000 0.879 287 D CB 0.347 41.171 40.800 0.040 0.000 1.179 287 D HN 0.379 nan 8.370 nan 0.000 0.456 288 N N 1.690 120.448 118.700 0.095 0.000 2.476 288 N HA 0.281 5.021 4.740 0.000 0.000 0.257 288 N C -0.598 174.995 175.510 0.140 0.000 0.970 288 N CA -0.478 52.631 53.050 0.099 0.000 0.938 288 N CB 1.283 39.826 38.487 0.093 0.000 1.144 288 N HN 0.162 nan 8.380 nan 0.000 0.500 289 L N 1.730 123.007 121.223 0.090 0.000 2.326 289 L HA 0.459 4.799 4.340 0.000 0.000 0.278 289 L C 0.106 177.038 176.870 0.104 0.000 1.092 289 L CA -0.167 54.730 54.840 0.095 0.000 0.810 289 L CB 0.899 42.993 42.059 0.058 0.000 1.153 289 L HN 0.465 nan 8.230 nan 0.000 0.439 290 M N 5.607 125.299 119.600 0.152 0.000 1.987 290 M HA 0.397 4.877 4.480 0.000 0.000 0.298 290 M C -2.618 173.754 176.300 0.121 0.000 0.892 290 M CA -1.608 53.758 55.300 0.110 0.000 0.885 290 M CB 1.600 34.339 32.600 0.230 0.000 1.469 290 M HN 0.198 nan 8.290 nan 0.000 0.389 291 P HA 0.324 nan 4.420 nan 0.000 0.276 291 P C -1.354 175.952 177.300 0.011 0.000 1.244 291 P CA -0.038 63.126 63.100 0.108 0.000 0.801 291 P CB 0.506 32.233 31.700 0.046 0.000 1.006 292 F N 1.315 121.279 119.950 0.024 0.000 2.427 292 F HA 0.370 4.897 4.527 0.000 0.000 0.348 292 F C 0.771 176.583 175.800 0.021 0.000 1.125 292 F CA -0.142 57.873 58.000 0.024 0.000 0.989 292 F CB 0.976 39.998 39.000 0.037 0.000 1.165 292 F HN 0.127 nan 8.300 nan 0.000 0.442 293 N N 5.353 124.113 118.700 0.100 0.000 2.679 293 N HA 0.249 4.989 4.740 0.000 0.000 0.302 293 N C -1.123 174.423 175.510 0.061 0.000 1.941 293 N CA -0.052 53.043 53.050 0.075 0.000 0.875 293 N CB 1.125 39.631 38.487 0.033 0.000 1.278 293 N HN 0.436 nan 8.380 nan 0.000 0.490 294 L N 0.918 122.198 121.223 0.096 0.000 2.289 294 L HA 0.544 4.884 4.340 0.000 0.000 0.285 294 L C -0.042 176.875 176.870 0.080 0.000 1.049 294 L CA -0.792 54.093 54.840 0.074 0.000 0.804 294 L CB 1.755 43.869 42.059 0.093 0.000 1.195 294 L HN -0.204 nan 8.230 nan 0.000 0.428 295 V N 4.817 124.770 119.914 0.065 0.000 2.444 295 V HA 0.393 4.513 4.120 0.000 0.000 0.294 295 V C -0.257 175.876 176.094 0.064 0.000 1.022 295 V CA -0.377 61.972 62.300 0.081 0.000 0.850 295 V CB 2.119 33.987 31.823 0.075 0.000 0.992 295 V HN 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.538 129.153 120.570 0.075 0.000 2.328 296 I HA 0.422 4.592 4.170 0.000 0.000 0.287 296 I C -2.125 174.032 176.117 0.067 0.000 1.012 296 I CA -1.871 59.463 61.300 0.057 0.000 1.195 296 I CB 1.948 39.976 38.000 0.047 0.000 1.350 296 I HN 0.438 nan 8.210 nan 0.000 0.464 297 P HA 0.141 nan 4.420 nan 0.000 0.274 297 P C 0.639 177.964 177.300 0.042 0.000 1.231 297 P CA -0.233 62.894 63.100 0.045 0.000 0.790 297 P CB 0.815 32.531 31.700 0.028 0.000 0.951 298 T N 1.062 115.643 114.554 0.044 0.000 2.653 298 T HA -0.198 4.152 4.350 0.000 0.000 0.268 298 T C 1.609 176.324 174.700 0.025 0.000 1.035 298 T CA 2.115 64.238 62.100 0.039 0.000 1.154 298 T CB -0.913 67.981 68.868 0.042 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.368 120.082 118.700 0.023 0.000 2.443 299 N HA -0.153 4.587 4.740 0.000 0.000 0.184 299 N C 1.391 176.912 175.510 0.017 0.000 1.037 299 N CA 1.005 54.067 53.050 0.020 0.000 0.896 299 N CB -0.213 38.286 38.487 0.019 0.000 0.959 299 N HN 0.510 nan 8.380 nan 0.000 0.442 300 E N 0.188 120.398 120.200 0.016 0.000 2.371 300 E HA 0.156 4.506 4.350 0.000 0.000 0.194 300 E C 0.171 176.773 176.600 0.003 0.000 1.012 300 E CA 0.086 56.493 56.400 0.011 0.000 0.860 300 E CB 0.212 29.920 29.700 0.013 0.000 0.811 300 E HN 0.438 nan 8.360 nan 0.000 0.502 301 I N 2.362 122.931 120.570 -0.001 0.000 2.260 301 I HA -0.024 4.146 4.170 0.000 0.000 0.297 301 I C 1.399 177.489 176.117 -0.045 0.000 1.143 301 I CA -0.056 61.232 61.300 -0.021 0.000 1.271 301 I CB 0.720 38.712 38.000 -0.013 0.000 1.461 301 I HN 0.035 nan 8.210 nan 0.000 0.530 302 T N 1.616 116.130 114.554 -0.067 0.000 3.055 302 T HA -0.003 4.347 4.350 0.000 0.000 0.265 302 T C 0.521 175.063 174.700 -0.262 0.000 1.111 302 T CA 0.292 62.343 62.100 -0.082 0.000 1.118 302 T CB -0.075 68.771 68.868 -0.036 0.000 0.909 302 T HN 0.694 nan 8.240 nan 0.000 0.501 303 Q N -0.592 118.992 119.800 -0.360 0.000 2.522 303 Q HA 0.548 4.888 4.340 0.000 0.000 0.285 303 Q C -3.481 172.393 176.000 -0.209 0.000 0.982 303 Q CA -2.559 52.903 55.803 -0.568 0.000 0.805 303 Q CB 0.805 28.727 28.738 -1.360 0.000 1.457 303 Q HN -0.120 nan 8.270 nan 0.000 0.394 304 P HA -0.020 nan 4.420 nan 0.000 0.261 304 P C -0.592 176.738 177.300 0.051 0.000 1.173 304 P CA 0.220 63.345 63.100 0.042 0.000 0.760 304 P CB 0.251 32.066 31.700 0.193 0.000 0.783 305 I N 3.143 123.735 120.570 0.036 0.000 2.441 305 I HA 0.075 4.246 4.170 0.000 0.000 0.287 305 I C 1.530 177.687 176.117 0.066 0.000 1.049 305 I CA 0.670 61.994 61.300 0.040 0.000 1.381 305 I CB 0.415 38.430 38.000 0.025 0.000 1.409 305 I HN 0.349 nan 8.210 nan 0.000 0.523 306 T N 3.286 117.878 114.554 0.064 0.000 2.955 306 T HA 0.130 4.480 4.350 0.000 0.000 0.251 306 T C 0.440 175.150 174.700 0.015 0.000 1.002 306 T CA 0.287 62.431 62.100 0.073 0.000 0.970 306 T CB 0.358 69.305 68.868 0.133 0.000 1.091 306 T HN 0.805 nan 8.240 nan 0.000 0.495 307 S N 0.107 115.804 115.700 -0.004 0.000 2.588 307 S HA 0.720 5.190 4.470 0.000 0.000 0.269 307 S C -1.487 173.106 174.600 -0.012 0.000 1.157 307 S CA -0.943 57.241 58.200 -0.025 0.000 0.824 307 S CB 1.842 65.029 63.200 -0.021 0.000 1.126 307 S HN 0.272 nan 8.310 nan 0.000 0.464 308 I N 1.226 121.794 120.570 -0.004 0.000 2.545 308 I HA 0.711 4.881 4.170 0.000 0.000 0.292 308 I C -1.327 174.779 176.117 -0.019 0.000 1.040 308 I CA -0.699 60.614 61.300 0.022 0.000 1.068 308 I CB 1.738 39.772 38.000 0.057 0.000 1.251 308 I HN 1.016 nan 8.210 nan 0.000 0.424 309 K N 6.361 126.713 120.400 -0.080 0.000 2.477 309 K HA 0.659 4.979 4.320 0.000 0.000 0.255 309 K C -2.026 174.398 176.600 -0.293 0.000 0.952 309 K CA -0.967 55.149 56.287 -0.285 0.000 0.826 309 K CB 2.441 34.844 32.500 -0.160 0.000 1.331 309 K HN 0.468 nan 8.250 nan 0.000 0.437 310 L N 1.101 121.968 121.223 -0.592 0.000 2.349 310 L HA 0.438 4.778 4.340 0.000 0.000 0.278 310 L C -1.186 175.619 176.870 -0.107 0.000 0.996 310 L CA -0.002 54.660 54.840 -0.296 0.000 0.825 310 L CB 1.770 43.613 42.059 -0.361 0.000 1.243 310 L HN 0.778 nan 8.230 nan 0.000 0.412 311 E N 5.139 125.379 120.200 0.066 0.000 2.214 311 E HA 0.575 4.925 4.350 0.000 0.000 0.274 311 E C -1.143 175.503 176.600 0.076 0.000 0.977 311 E CA -0.618 55.843 56.400 0.100 0.000 0.827 311 E CB 2.335 32.161 29.700 0.209 0.000 1.130 311 E HN 0.541 nan 8.360 nan 0.000 0.394 312 I N 2.248 122.864 120.570 0.077 0.000 2.466 312 I HA 0.260 4.430 4.170 0.000 0.000 0.289 312 I C -0.790 175.340 176.117 0.021 0.000 1.026 312 I CA -1.005 60.313 61.300 0.029 0.000 1.078 312 I CB 1.907 39.936 38.000 0.049 0.000 1.249 312 I HN 0.170 nan 8.210 nan 0.000 0.429 313 V N 4.204 124.105 119.914 -0.022 0.000 2.427 313 V HA 0.492 4.612 4.120 0.000 0.000 0.286 313 V C 0.027 176.107 176.094 -0.023 0.000 1.034 313 V CA -0.403 61.897 62.300 -0.000 0.000 0.893 313 V CB 1.483 33.308 31.823 0.003 0.000 0.982 313 V HN 0.731 nan 8.190 nan 0.000 0.452 314 T N 3.686 118.265 114.554 0.042 0.000 2.809 314 T HA 0.659 5.009 4.350 0.000 0.000 0.284 314 T C -0.133 174.656 174.700 0.148 0.000 0.992 314 T CA -0.519 61.640 62.100 0.099 0.000 0.957 314 T CB 1.394 70.384 68.868 0.202 0.000 0.942 314 T HN 0.932 nan 8.240 nan 0.000 0.439 315 S N 2.612 118.392 115.700 0.132 0.000 2.627 315 S HA 0.783 5.254 4.470 0.000 0.000 0.283 315 S C -1.224 173.484 174.600 0.180 0.000 1.127 315 S CA -1.129 57.181 58.200 0.182 0.000 0.863 315 S CB 2.344 65.625 63.200 0.135 0.000 1.121 315 S HN 0.559 nan 8.310 nan 0.000 0.479 316 K N 0.160 120.698 120.400 0.230 0.000 2.316 316 K HA 0.567 4.887 4.320 0.000 0.000 0.251 316 K C 0.658 177.280 176.600 0.037 0.000 0.934 316 K CA -0.659 55.685 56.287 0.095 0.000 0.802 316 K CB 1.845 34.348 32.500 0.004 0.000 1.171 316 K HN 0.641 nan 8.250 nan 0.000 0.426 317 S N 1.245 116.950 115.700 0.007 0.000 2.354 317 S HA -0.166 4.304 4.470 0.000 0.000 0.219 317 S C 1.525 176.095 174.600 -0.049 0.000 1.035 317 S CA 1.623 59.820 58.200 -0.004 0.000 1.037 317 S CB -0.363 62.836 63.200 -0.001 0.000 0.956 317 S HN 0.890 nan 8.310 nan 0.000 0.428 318 G N 0.534 109.276 108.800 -0.097 0.000 2.707 318 G HA2 0.377 4.337 3.960 0.000 0.000 0.204 318 G HA3 0.377 4.337 3.960 0.000 0.000 0.204 318 G C 0.579 175.301 174.900 -0.297 0.000 1.435 318 G CA 0.427 45.443 45.100 -0.141 0.000 0.890 318 G HN 1.301 nan 8.290 nan 0.000 0.552 319 G N -2.377 106.122 108.800 -0.502 0.000 2.788 319 G HA2 0.293 4.253 3.960 0.000 0.000 0.686 319 G HA3 0.293 4.253 3.960 0.000 0.000 0.686 319 G C -0.759 173.848 174.900 -0.489 0.000 1.147 319 G CA 0.165 44.586 45.100 -1.132 0.000 0.755 319 G HN 0.716 nan 8.290 nan 0.000 0.634 320 Q N -0.480 119.150 119.800 -0.284 0.000 2.870 320 Q HA 0.797 5.137 4.340 0.000 0.000 0.366 320 Q C 1.504 177.626 176.000 0.203 0.000 0.738 320 Q CA 0.053 55.873 55.803 0.028 0.000 0.870 320 Q CB 0.619 29.348 28.738 -0.016 0.000 1.237 320 Q HN 1.476 nan 8.270 nan 0.000 0.497 321 A N 0.393 123.284 122.820 0.118 0.000 1.889 321 A HA 0.229 4.549 4.320 0.000 0.000 0.209 321 A C 0.854 178.506 177.584 0.114 0.000 1.315 321 A CA 1.464 53.566 52.037 0.108 0.000 0.611 321 A CB -1.263 17.772 19.000 0.059 0.000 0.950 321 A HN 0.508 nan 8.150 nan 0.000 0.477 322 G N -0.980 107.861 108.800 0.069 0.000 2.350 322 G HA2 0.457 4.417 3.960 0.000 0.000 0.306 322 G HA3 0.457 4.417 3.960 0.000 0.000 0.306 322 G C -0.580 174.353 174.900 0.054 0.000 1.094 322 G CA -0.048 45.086 45.100 0.057 0.000 0.953 322 G HN 0.321 nan 8.290 nan 0.000 0.420 323 D N 0.624 121.071 120.400 0.078 0.000 2.473 323 D HA 0.037 4.677 4.640 0.000 0.000 0.242 323 D C 0.346 176.677 176.300 0.052 0.000 1.106 323 D CA 0.182 54.216 54.000 0.057 0.000 0.854 323 D CB 0.355 41.185 40.800 0.051 0.000 1.192 323 D HN 0.342 nan 8.370 nan 0.000 0.503 324 Q N 0.769 120.599 119.800 0.051 0.000 2.499 324 Q HA -0.185 4.155 4.340 0.000 0.000 0.262 324 Q C -0.347 175.673 176.000 0.033 0.000 1.328 324 Q CA 0.783 56.592 55.803 0.011 0.000 0.794 324 Q CB -1.422 27.305 28.738 -0.019 0.000 0.888 324 Q HN 0.444 nan 8.270 nan 0.000 0.305 325 M N 1.026 120.664 119.600 0.062 0.000 2.157 325 M HA 0.543 5.023 4.480 0.000 0.000 0.354 325 M C 0.273 176.625 176.300 0.086 0.000 1.170 325 M CA -0.441 54.944 55.300 0.142 0.000 1.060 325 M CB 1.813 34.582 32.600 0.282 0.000 1.615 325 M HN 0.484 nan 8.290 nan 0.000 0.460 326 S N 3.031 118.800 115.700 0.115 0.000 2.541 326 S HA 0.866 5.336 4.470 0.000 0.000 0.280 326 S C -1.459 173.274 174.600 0.222 0.000 1.112 326 S CA -0.835 57.389 58.200 0.041 0.000 0.925 326 S CB 1.739 64.912 63.200 -0.044 0.000 1.067 326 S HN 0.969 nan 8.310 nan 0.000 0.479 327 W N 0.188 121.673 121.300 0.308 0.000 3.118 327 W HA 0.722 5.382 4.660 0.000 0.000 0.328 327 W C -1.229 175.422 176.519 0.220 0.000 1.239 327 W CA -0.874 56.617 57.345 0.243 0.000 1.176 327 W CB 1.251 30.872 29.460 0.269 0.000 1.433 327 W HN 0.708 nan 8.180 nan 0.000 0.562 328 S N 1.055 117.113 115.700 0.596 0.000 2.475 328 S HA 0.807 5.277 4.470 0.000 0.000 0.298 328 S C -0.726 174.151 174.600 0.461 0.000 1.119 328 S CA -0.224 58.224 58.200 0.413 0.000 1.085 328 S CB 1.008 64.328 63.200 0.199 0.000 1.028 328 S HN 0.834 nan 8.310 nan 0.000 0.489 329 A N 4.462 127.501 122.820 0.365 0.000 2.414 329 A HA 0.872 5.192 4.320 0.000 0.000 0.306 329 A C -0.605 176.965 177.584 -0.024 0.000 1.054 329 A CA -0.782 51.236 52.037 -0.032 0.000 0.724 329 A CB 1.445 20.398 19.000 -0.078 0.000 1.267 329 A HN 0.746 nan 8.150 nan 0.000 0.418 330 R N 0.761 121.159 120.500 -0.171 0.000 2.651 330 R HA 0.681 5.021 4.340 0.000 0.000 0.278 330 R C -0.587 175.638 176.300 -0.125 0.000 1.010 330 R CA 0.335 56.384 56.100 -0.085 0.000 0.896 330 R CB 2.195 32.467 30.300 -0.045 0.000 1.211 330 R HN 2.070 nan 8.270 nan 0.000 0.456 331 G N 0.917 109.663 108.800 -0.089 0.000 2.333 331 G HA2 0.096 4.056 3.960 0.000 0.000 0.330 331 G HA3 0.096 4.056 3.960 0.000 0.000 0.330 331 G C -1.717 173.113 174.900 -0.117 0.000 1.465 331 G CA -0.642 44.402 45.100 -0.092 0.000 0.996 331 G HN 0.566 nan 8.290 nan 0.000 0.655 332 S N -0.537 115.090 115.700 -0.121 0.000 2.566 332 S HA 0.882 5.353 4.470 0.000 0.000 0.298 332 S C -0.275 174.208 174.600 -0.194 0.000 1.083 332 S CA -0.960 57.140 58.200 -0.167 0.000 0.978 332 S CB 2.088 65.209 63.200 -0.132 0.000 1.073 332 S HN 0.767 nan 8.310 nan 0.000 0.491 333 L N 0.904 121.973 121.223 -0.256 0.000 2.319 333 L HA 0.886 5.226 4.340 0.000 0.000 0.267 333 L C -0.264 176.516 176.870 -0.150 0.000 1.011 333 L CA -1.132 53.550 54.840 -0.263 0.000 0.818 333 L CB 1.784 43.603 42.059 -0.399 0.000 1.316 333 L HN 0.846 nan 8.230 nan 0.000 0.432 334 A N 1.648 124.416 122.820 -0.086 0.000 2.330 334 A HA 0.718 5.038 4.320 0.000 0.000 0.313 334 A C -0.896 176.694 177.584 0.010 0.000 1.124 334 A CA -0.470 51.551 52.037 -0.027 0.000 0.774 334 A CB 1.492 20.482 19.000 -0.017 0.000 1.198 334 A HN 0.368 nan 8.150 nan 0.000 0.465 335 V N 2.831 122.781 119.914 0.060 0.000 2.328 335 V HA 0.403 4.523 4.120 0.000 0.000 0.278 335 V C 0.113 176.256 176.094 0.082 0.000 1.021 335 V CA -0.221 62.135 62.300 0.093 0.000 0.838 335 V CB 1.177 33.090 31.823 0.149 0.000 0.999 335 V HN 0.870 nan 8.190 nan 0.000 0.447 336 T N 7.026 121.568 114.554 -0.019 0.000 2.743 336 T HA 0.483 4.833 4.350 0.000 0.000 0.292 336 T C -0.022 174.532 174.700 -0.244 0.000 0.972 336 T CA -0.150 61.879 62.100 -0.120 0.000 0.967 336 T CB 0.649 69.427 68.868 -0.150 0.000 0.926 336 T HN 0.616 nan 8.240 nan 0.000 0.459 337 I N 1.861 122.343 120.570 -0.148 0.000 2.312 337 I HA 0.406 4.576 4.170 0.000 0.000 0.290 337 I C -0.242 175.792 176.117 -0.138 0.000 1.008 337 I CA -0.800 60.410 61.300 -0.150 0.000 1.226 337 I CB 0.677 38.693 38.000 0.027 0.000 1.371 337 I HN 0.545 nan 8.210 nan 0.000 0.468 338 H N 5.350 124.445 119.070 0.043 0.000 2.886 338 H HA 0.131 4.687 4.556 0.000 0.000 0.329 338 H C 1.478 176.818 175.328 0.020 0.000 1.044 338 H CA 1.060 57.124 56.048 0.027 0.000 1.456 338 H CB 0.863 30.638 29.762 0.021 0.000 1.464 338 H HN 1.026 nan 8.280 nan 0.000 0.573 339 G N 2.675 111.556 108.800 0.135 0.000 2.200 339 G HA2 -0.355 3.605 3.960 0.000 0.000 0.267 339 G HA3 -0.355 3.605 3.960 0.000 0.000 0.267 339 G C 1.550 176.501 174.900 0.086 0.000 0.993 339 G CA 0.839 45.987 45.100 0.081 0.000 0.701 339 G HN 0.868 nan 8.290 nan 0.000 0.524 340 G N 0.112 108.952 108.800 0.066 0.000 2.432 340 G HA2 -0.186 3.774 3.960 0.000 0.000 0.219 340 G HA3 -0.186 3.774 3.960 0.000 0.000 0.219 340 G C 1.329 176.261 174.900 0.054 0.000 1.135 340 G CA 1.297 46.430 45.100 0.056 0.000 0.767 340 G HN 0.518 nan 8.290 nan 0.000 0.550 341 N N -0.857 117.868 118.700 0.042 0.000 2.336 341 N HA 0.061 4.801 4.740 0.000 0.000 0.189 341 N C -0.278 175.260 175.510 0.046 0.000 1.113 341 N CA -0.477 52.584 53.050 0.019 0.000 0.858 341 N CB -0.115 38.360 38.487 -0.020 0.000 0.970 341 N HN 0.428 nan 8.380 nan 0.000 0.471 342 Y N 2.699 122.981 120.300 -0.029 0.000 2.605 342 Y HA 0.141 4.691 4.550 0.000 0.000 0.336 342 Y C -2.103 173.772 175.900 -0.041 0.000 1.111 342 Y CA -2.016 56.062 58.100 -0.037 0.000 1.422 342 Y CB 0.493 38.923 38.460 -0.050 0.000 1.193 342 Y HN 0.005 nan 8.280 nan 0.000 0.526 343 P HA 0.079 nan 4.420 nan 0.000 0.260 343 P C 0.527 177.750 177.300 -0.129 0.000 1.185 343 P CA 1.946 64.897 63.100 -0.248 0.000 0.763 343 P CB 0.489 31.991 31.700 -0.330 0.000 0.776 344 G N 3.269 112.085 108.800 0.027 0.000 2.313 344 G HA2 -0.298 3.662 3.960 0.000 0.000 0.215 344 G HA3 -0.298 3.662 3.960 0.000 0.000 0.215 344 G C 1.209 176.227 174.900 0.196 0.000 1.023 344 G CA 0.331 45.508 45.100 0.129 0.000 0.626 344 G HN 0.611 nan 8.290 nan 0.000 0.503 345 A N -0.207 122.712 122.820 0.165 0.000 1.969 345 A HA 0.537 4.857 4.320 0.000 0.000 0.218 345 A C 2.185 179.891 177.584 0.204 0.000 1.169 345 A CA 2.045 54.141 52.037 0.099 0.000 0.635 345 A CB -0.197 18.841 19.000 0.062 0.000 0.810 345 A HN 0.981 nan 8.150 nan 0.000 0.445 346 L N -3.786 117.540 121.223 0.171 0.000 3.316 346 L HA 0.202 4.543 4.340 0.000 0.000 0.300 346 L C 2.053 179.052 176.870 0.215 0.000 1.128 346 L CA 0.199 55.138 54.840 0.165 0.000 1.111 346 L CB 0.067 42.204 42.059 0.130 0.000 1.687 346 L HN 0.295 nan 8.230 nan 0.000 0.594 347 R N 1.741 122.337 120.500 0.160 0.000 2.072 347 R HA 0.080 4.420 4.340 0.000 0.000 0.221 347 R C -1.770 174.596 176.300 0.109 0.000 1.166 347 R CA 0.695 56.854 56.100 0.097 0.000 0.917 347 R CB -0.906 29.407 30.300 0.021 0.000 0.815 347 R HN 0.020 nan 8.270 nan 0.000 0.444 348 P HA 0.123 nan 4.420 nan 0.000 0.275 348 P C -1.304 176.108 177.300 0.188 0.000 1.227 348 P CA 0.141 63.289 63.100 0.081 0.000 0.781 348 P CB 1.510 33.236 31.700 0.043 0.000 0.906 349 V N 3.304 123.333 119.914 0.192 0.000 2.588 349 V HA 0.386 4.506 4.120 0.000 0.000 0.304 349 V C 0.076 176.245 176.094 0.125 0.000 1.042 349 V CA -0.288 62.118 62.300 0.178 0.000 0.877 349 V CB 2.239 34.187 31.823 0.207 0.000 0.996 349 V HN 0.468 nan 8.190 nan 0.000 0.425 350 T N 6.058 120.659 114.554 0.078 0.000 2.770 350 T HA 0.631 4.981 4.350 0.000 0.000 0.283 350 T C -0.613 174.119 174.700 0.054 0.000 0.988 350 T CA -0.279 61.877 62.100 0.093 0.000 0.957 350 T CB 0.918 69.864 68.868 0.130 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.100 125.328 121.223 0.008 0.000 2.295 351 L HA 0.558 4.898 4.340 0.000 0.000 0.285 351 L C -0.359 176.518 176.870 0.012 0.000 1.035 351 L CA -0.426 54.381 54.840 -0.056 0.000 0.806 351 L CB 1.697 43.690 42.059 -0.110 0.000 1.214 351 L HN 0.383 nan 8.230 nan 0.000 0.426 352 V N 3.401 123.331 119.914 0.028 0.000 2.326 352 V HA 0.753 4.873 4.120 0.000 0.000 0.281 352 V C 0.074 176.246 176.094 0.131 0.000 1.015 352 V CA -0.668 61.697 62.300 0.108 0.000 0.823 352 V CB 1.273 33.223 31.823 0.211 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.561 128.455 122.820 0.123 0.000 2.317 353 A HA 0.918 5.238 4.320 0.000 0.000 0.327 353 A C -0.908 176.910 177.584 0.389 0.000 1.178 353 A CA -0.486 51.659 52.037 0.180 0.000 0.817 353 A CB 0.863 19.943 19.000 0.133 0.000 1.189 353 A HN 0.980 nan 8.150 nan 0.000 0.489 354 Y N -0.022 120.473 120.300 0.326 0.000 2.524 354 Y HA 0.795 5.345 4.550 0.000 0.000 0.344 354 Y C -0.312 175.656 175.900 0.112 0.000 1.012 354 Y CA -0.944 57.316 58.100 0.267 0.000 1.068 354 Y CB 1.365 39.919 38.460 0.157 0.000 1.249 354 Y HN 0.851 nan 8.280 nan 0.000 0.468 355 E N 0.815 121.029 120.200 0.022 0.000 2.430 355 E HA 0.567 4.917 4.350 0.000 0.000 0.279 355 E C -0.554 175.998 176.600 -0.081 0.000 1.003 355 E CA -1.288 55.006 56.400 -0.176 0.000 0.801 355 E CB 1.526 30.886 29.700 -0.566 0.000 1.313 355 E HN 0.581 nan 8.360 nan 0.000 0.459 356 R N -0.901 119.564 120.500 -0.058 0.000 3.989 356 R HA -0.102 4.238 4.340 0.000 0.000 0.377 356 R C -0.439 175.876 176.300 0.025 0.000 1.158 356 R CA 0.856 56.939 56.100 -0.029 0.000 1.035 356 R CB -2.821 27.445 30.300 -0.057 0.000 1.557 356 R HN 0.485 nan 8.270 nan 0.000 0.551 357 V N 1.418 121.381 119.914 0.082 0.000 2.614 357 V HA 0.435 4.555 4.120 0.000 0.000 0.291 357 V C 1.452 177.581 176.094 0.058 0.000 1.049 357 V CA -0.034 62.312 62.300 0.078 0.000 1.038 357 V CB 1.528 33.416 31.823 0.108 0.000 0.980 357 V HN 0.365 nan 8.190 nan 0.000 0.481 358 A N 3.871 126.710 122.820 0.031 0.000 2.511 358 A HA 0.323 4.643 4.320 0.000 0.000 0.242 358 A C 0.765 178.368 177.584 0.031 0.000 1.069 358 A CA -0.004 52.047 52.037 0.024 0.000 0.763 358 A CB -0.302 18.706 19.000 0.014 0.000 1.001 358 A HN 0.866 nan 8.150 nan 0.000 0.498 359 T N 1.870 116.443 114.554 0.032 0.000 2.908 359 T HA 0.402 4.752 4.350 0.000 0.000 0.301 359 T C 1.543 176.258 174.700 0.026 0.000 1.019 359 T CA 1.613 63.734 62.100 0.036 0.000 1.152 359 T CB 0.411 69.296 68.868 0.027 0.000 0.966 359 T HN 2.023 nan 8.240 nan 0.000 0.540 360 G N 2.714 111.532 108.800 0.030 0.000 2.195 360 G HA2 -0.275 3.685 3.960 0.000 0.000 0.246 360 G HA3 -0.275 3.685 3.960 0.000 0.000 0.246 360 G C 0.378 175.284 174.900 0.009 0.000 0.984 360 G CA 0.108 45.220 45.100 0.020 0.000 0.633 360 G HN 1.131 nan 8.290 nan 0.000 0.525 361 S N -0.691 115.011 115.700 0.004 0.000 2.632 361 S HA 0.720 5.190 4.470 0.000 0.000 0.267 361 S C 0.144 174.724 174.600 -0.034 0.000 1.276 361 S CA -0.266 57.926 58.200 -0.014 0.000 0.998 361 S CB 2.492 65.682 63.200 -0.017 0.000 0.953 361 S HN 0.984 nan 8.310 nan 0.000 0.547 362 V N 1.889 121.776 119.914 -0.045 0.000 2.394 362 V HA 0.354 4.474 4.120 0.000 0.000 0.282 362 V C -0.269 175.762 176.094 -0.106 0.000 1.031 362 V CA -0.756 61.507 62.300 -0.062 0.000 0.881 362 V CB 1.313 33.112 31.823 -0.039 0.000 0.982 362 V HN 0.775 nan 8.190 nan 0.000 0.451 363 V N 4.599 124.412 119.914 -0.169 0.000 2.364 363 V HA 0.312 4.432 4.120 0.000 0.000 0.272 363 V C 0.473 176.483 176.094 -0.139 0.000 1.036 363 V CA -0.089 62.078 62.300 -0.221 0.000 0.880 363 V CB 1.652 33.208 31.823 -0.445 0.000 0.991 363 V HN 0.970 nan 8.190 nan 0.000 0.460 364 T N 5.286 119.794 114.554 -0.076 0.000 2.767 364 T HA 0.531 4.881 4.350 0.000 0.000 0.288 364 T C -0.232 174.477 174.700 0.015 0.000 0.963 364 T CA -0.270 61.817 62.100 -0.022 0.000 1.019 364 T CB 1.412 70.271 68.868 -0.014 0.000 0.923 364 T HN 0.333 nan 8.240 nan 0.000 0.468 365 V N 2.665 122.618 119.914 0.066 0.000 2.459 365 V HA 0.836 4.956 4.120 0.000 0.000 0.295 365 V C -0.086 176.076 176.094 0.112 0.000 1.029 365 V CA -0.816 61.562 62.300 0.129 0.000 0.874 365 V CB 1.409 33.370 31.823 0.230 0.000 0.985 365 V HN 1.069 nan 8.190 nan 0.000 0.438 366 A N 3.402 126.266 122.820 0.073 0.000 2.427 366 A HA 0.971 5.291 4.320 0.000 0.000 0.298 366 A C -0.170 177.423 177.584 0.016 0.000 1.036 366 A CA -0.011 52.050 52.037 0.041 0.000 0.701 366 A CB 1.896 20.906 19.000 0.016 0.000 1.250 366 A HN 1.212 nan 8.150 nan 0.000 0.412 367 G N -0.322 108.492 108.800 0.023 0.000 2.695 367 G HA2 0.637 4.597 3.960 0.000 0.000 0.290 367 G HA3 0.637 4.597 3.960 0.000 0.000 0.290 367 G C -1.785 173.120 174.900 0.008 0.000 1.410 367 G CA -0.555 44.538 45.100 -0.012 0.000 0.844 367 G HN 1.129 nan 8.290 nan 0.000 0.478 368 V N 0.267 120.172 119.914 -0.015 0.000 2.638 368 V HA 0.690 4.810 4.120 0.000 0.000 0.306 368 V C -0.259 175.817 176.094 -0.030 0.000 1.052 368 V CA -0.709 61.593 62.300 0.003 0.000 0.885 368 V CB 1.917 33.740 31.823 -0.000 0.000 0.999 368 V HN 0.759 nan 8.190 nan 0.000 0.424 369 S N 4.090 119.782 115.700 -0.014 0.000 2.482 369 S HA 0.582 5.052 4.470 0.000 0.000 0.303 369 S C -0.649 173.760 174.600 -0.319 0.000 1.091 369 S CA -0.810 57.284 58.200 -0.176 0.000 1.057 369 S CB 1.191 64.359 63.200 -0.053 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.704 120.089 118.700 -0.526 0.000 2.321 370 N HA 0.611 5.351 4.740 0.000 0.000 0.299 370 N C -1.502 173.646 175.510 -0.603 0.000 1.048 370 N CA -0.229 52.603 53.050 -0.364 0.000 0.836 370 N CB 1.403 39.807 38.487 -0.137 0.000 1.269 370 N HN 0.405 nan 8.380 nan 0.000 0.486 371 F N 0.015 119.984 119.950 0.032 0.000 2.588 371 F HA 0.332 4.859 4.527 0.000 0.000 0.310 371 F C 0.484 176.291 175.800 0.011 0.000 1.082 371 F CA -0.874 57.128 58.000 0.003 0.000 0.929 371 F CB 1.905 40.879 39.000 -0.044 0.000 1.254 371 F HN 0.148 nan 8.300 nan 0.000 0.455 372 E N 2.980 123.285 120.200 0.176 0.000 2.227 372 E HA 0.607 4.957 4.350 0.000 0.000 0.282 372 E C -1.153 175.581 176.600 0.223 0.000 1.015 372 E CA -0.432 56.054 56.400 0.143 0.000 0.823 372 E CB 1.571 31.171 29.700 -0.167 0.000 1.081 372 E HN 0.414 nan 8.360 nan 0.000 0.396 373 L N 3.703 125.083 121.223 0.261 0.000 2.388 373 L HA 0.555 4.895 4.340 0.000 0.000 0.264 373 L C -0.657 176.388 176.870 0.291 0.000 0.998 373 L CA -0.822 54.110 54.840 0.153 0.000 0.817 373 L CB 1.860 43.686 42.059 -0.390 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.423 124.196 120.570 0.337 0.000 2.362 374 I HA 0.355 4.525 4.170 0.000 0.000 0.289 374 I C -2.217 174.135 176.117 0.392 0.000 0.994 374 I CA -2.010 59.464 61.300 0.290 0.000 1.158 374 I CB 1.982 40.096 38.000 0.191 0.000 1.315 374 I HN 0.245 nan 8.210 nan 0.000 0.451 375 P HA 0.060 nan 4.420 nan 0.000 0.272 375 P C -0.981 176.355 177.300 0.060 0.000 1.223 375 P CA -0.347 62.847 63.100 0.158 0.000 0.784 375 P CB 0.280 32.013 31.700 0.055 0.000 0.923 376 N N 2.434 121.101 118.700 -0.056 0.000 2.354 376 N HA 0.076 4.816 4.740 0.000 0.000 0.246 376 N C -1.972 173.519 175.510 -0.032 0.000 1.285 376 N CA -1.594 51.434 53.050 -0.037 0.000 0.925 376 N CB -1.365 37.075 38.487 -0.077 0.000 1.174 376 N HN 0.154 nan 8.380 nan 0.000 0.478 377 P HA -0.161 nan 4.420 nan 0.000 0.216 377 P C 0.979 178.263 177.300 -0.027 0.000 1.150 377 P CA 1.506 64.597 63.100 -0.014 0.000 0.843 377 P CB 0.198 31.892 31.700 -0.010 0.000 0.787 378 E N -0.954 119.221 120.200 -0.042 0.000 2.072 378 E HA -0.103 4.247 4.350 0.000 0.000 0.190 378 E C 1.761 178.329 176.600 -0.053 0.000 0.982 378 E CA 0.737 57.111 56.400 -0.044 0.000 0.803 378 E CB -1.037 28.635 29.700 -0.047 0.000 0.755 378 E HN 0.016 nan 8.360 nan 0.000 0.453 379 L N -0.034 121.140 121.223 -0.081 0.000 2.156 379 L HA 0.117 4.457 4.340 0.000 0.000 0.208 379 L C 2.031 178.870 176.870 -0.052 0.000 1.095 379 L CA 1.478 56.262 54.840 -0.093 0.000 0.770 379 L CB -0.664 41.280 42.059 -0.193 0.000 0.914 379 L HN 0.179 nan 8.230 nan 0.000 0.439 380 A N -0.887 121.912 122.820 -0.035 0.000 2.131 380 A HA -0.225 4.095 4.320 0.000 0.000 0.220 380 A C 2.176 179.753 177.584 -0.011 0.000 1.158 380 A CA 1.519 53.549 52.037 -0.010 0.000 0.665 380 A CB -0.523 18.476 19.000 -0.002 0.000 0.795 380 A HN 0.475 nan 8.150 nan 0.000 0.460 381 K N -0.785 119.605 120.400 -0.017 0.000 2.366 381 K HA 0.016 4.336 4.320 0.000 0.000 0.198 381 K C 0.370 176.964 176.600 -0.010 0.000 1.044 381 K CA 0.845 57.123 56.287 -0.013 0.000 0.973 381 K CB 0.057 32.548 32.500 -0.015 0.000 0.767 381 K HN 0.388 nan 8.250 nan 0.000 0.475 382 N N -0.156 118.537 118.700 -0.010 0.000 2.118 382 N HA 0.047 4.787 4.740 0.000 0.000 0.226 382 N C -1.015 174.497 175.510 0.004 0.000 1.305 382 N CA -0.048 52.999 53.050 -0.005 0.000 0.890 382 N CB 1.077 39.559 38.487 -0.008 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.501 123.729 121.223 0.008 0.000 2.318 383 L HA 0.441 4.781 4.340 0.000 0.000 0.277 383 L C -0.315 176.568 176.870 0.021 0.000 1.008 383 L CA -0.569 54.288 54.840 0.028 0.000 0.846 383 L CB 1.224 43.313 42.059 0.050 0.000 1.220 383 L HN -0.277 nan 8.230 nan 0.000 0.423 384 V N 4.103 124.025 119.914 0.013 0.000 2.585 384 V HA 0.244 4.364 4.120 0.000 0.000 0.296 384 V C 0.845 176.929 176.094 -0.016 0.000 1.035 384 V CA 0.016 62.312 62.300 -0.006 0.000 1.084 384 V CB 1.248 33.067 31.823 -0.007 0.000 0.953 384 V HN 0.908 nan 8.190 nan 0.000 0.483 385 T N 2.491 117.015 114.554 -0.050 0.000 2.912 385 T HA 0.811 5.162 4.350 0.000 0.000 0.288 385 T C -0.757 173.842 174.700 -0.168 0.000 1.030 385 T CA -0.904 61.139 62.100 -0.096 0.000 1.020 385 T CB 2.295 71.108 68.868 -0.091 0.000 1.056 385 T HN 0.679 nan 8.240 nan 0.000 0.480 386 E N 0.147 120.199 120.200 -0.247 0.000 2.408 386 E HA 0.360 4.710 4.350 0.000 0.000 0.275 386 E C -1.279 175.115 176.600 -0.344 0.000 0.935 386 E CA -0.978 55.270 56.400 -0.254 0.000 0.775 386 E CB 1.839 31.458 29.700 -0.134 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.498 120.756 120.300 -0.070 0.000 2.480 387 Y HA 0.233 4.783 4.550 0.000 0.000 0.338 387 Y C 1.427 177.323 175.900 -0.007 0.000 1.220 387 Y CA 0.184 58.283 58.100 -0.001 0.000 1.430 387 Y CB 0.530 39.005 38.460 0.026 0.000 1.311 387 Y HN 0.605 nan 8.280 nan 0.000 0.575 388 G N 2.812 111.797 108.800 0.308 0.000 2.559 388 G HA2 0.065 4.025 3.960 0.000 0.000 0.235 388 G HA3 0.065 4.025 3.960 0.000 0.000 0.235 388 G C -0.216 174.801 174.900 0.195 0.000 1.266 388 G CA -0.885 44.370 45.100 0.257 0.000 0.847 388 G HN 0.436 nan 8.290 nan 0.000 0.583 389 R N -0.129 120.462 120.500 0.151 0.000 2.538 389 R HA -0.013 4.327 4.340 0.000 0.000 0.282 389 R C -0.323 176.086 176.300 0.183 0.000 1.009 389 R CA -0.432 55.753 56.100 0.141 0.000 1.063 389 R CB -0.002 30.354 30.300 0.093 0.000 0.945 389 R HN 0.381 nan 8.270 nan 0.000 0.414 390 F N 4.860 124.830 119.950 0.033 0.000 2.421 390 F HA 0.167 4.694 4.527 0.000 0.000 0.358 390 F C -0.344 175.464 175.800 0.013 0.000 1.115 390 F CA -1.399 56.611 58.000 0.017 0.000 1.160 390 F CB 0.460 39.463 39.000 0.006 0.000 1.123 390 F HN 0.483 nan 8.300 nan 0.000 0.508 391 D N 8.079 128.173 120.400 -0.511 0.000 2.620 391 D HA 0.323 4.963 4.640 0.000 0.000 0.252 391 D C -3.290 172.594 176.300 -0.695 0.000 1.207 391 D CA -2.041 51.545 54.000 -0.691 0.000 0.884 391 D CB 1.741 42.362 40.800 -0.299 0.000 1.262 391 D HN 0.216 nan 8.370 nan 0.000 0.552 392 P HA 0.284 nan 4.420 nan 0.000 0.274 392 P C 1.012 178.201 177.300 -0.184 0.000 1.231 392 P CA 0.447 63.307 63.100 -0.401 0.000 0.790 392 P CB 1.084 32.634 31.700 -0.249 0.000 0.951 393 G N 1.402 110.164 108.800 -0.063 0.000 2.205 393 G HA2 -0.356 3.604 3.960 0.000 0.000 0.261 393 G HA3 -0.356 3.604 3.960 0.000 0.000 0.261 393 G C 1.124 176.047 174.900 0.039 0.000 0.980 393 G CA 0.714 45.815 45.100 0.000 0.000 0.632 393 G HN 0.737 nan 8.290 nan 0.000 0.533 394 A N -0.487 122.325 122.820 -0.013 0.000 1.877 394 A HA 0.201 4.522 4.320 0.000 0.000 0.216 394 A C 2.273 179.922 177.584 0.108 0.000 1.186 394 A CA 2.833 54.900 52.037 0.050 0.000 0.620 394 A CB -0.369 18.626 19.000 -0.009 0.000 0.822 394 A HN 1.151 nan 8.150 nan 0.000 0.443 395 M N 0.838 120.452 119.600 0.023 0.000 2.132 395 M HA -0.078 4.402 4.480 0.000 0.000 0.263 395 M C 1.542 177.892 176.300 0.083 0.000 1.065 395 M CA 1.728 57.036 55.300 0.012 0.000 1.122 395 M CB -0.953 31.622 32.600 -0.042 0.000 1.365 395 M HN 0.511 nan 8.290 nan 0.000 0.411 396 N N -1.318 117.436 118.700 0.090 0.000 2.166 396 N HA -0.217 4.523 4.740 0.000 0.000 0.186 396 N C 1.734 177.322 175.510 0.130 0.000 1.019 396 N CA 1.608 54.715 53.050 0.096 0.000 0.856 396 N CB -0.405 38.135 38.487 0.088 0.000 0.993 396 N HN 0.428 nan 8.380 nan 0.000 0.426 397 Y N 2.340 122.671 120.300 0.053 0.000 2.200 397 Y HA -0.160 4.391 4.550 0.000 0.000 0.290 397 Y C 2.523 178.480 175.900 0.096 0.000 1.137 397 Y CA 1.408 59.550 58.100 0.070 0.000 1.163 397 Y CB -0.468 38.035 38.460 0.071 0.000 0.988 397 Y HN -0.033 nan 8.280 nan 0.000 0.518 398 T N 0.186 114.871 114.554 0.219 0.000 2.708 398 T HA -0.200 4.150 4.350 0.000 0.000 0.266 398 T C 1.800 176.563 174.700 0.106 0.000 1.037 398 T CA 1.906 64.124 62.100 0.196 0.000 1.146 398 T CB -0.197 68.862 68.868 0.317 0.000 0.865 398 T HN 0.266 nan 8.240 nan 0.000 0.435 399 K N 0.379 120.835 120.400 0.093 0.000 2.097 399 K HA -0.011 4.309 4.320 0.000 0.000 0.206 399 K C 2.198 178.800 176.600 0.003 0.000 1.049 399 K CA 0.843 57.168 56.287 0.062 0.000 0.933 399 K CB -0.343 32.194 32.500 0.061 0.000 0.717 399 K HN 0.137 nan 8.250 nan 0.000 0.442 400 L N 1.312 122.508 121.223 -0.045 0.000 1.994 400 L HA -0.176 4.164 4.340 0.000 0.000 0.208 400 L C 1.899 178.693 176.870 -0.127 0.000 1.071 400 L CA 1.580 56.363 54.840 -0.096 0.000 0.745 400 L CB -0.375 41.592 42.059 -0.154 0.000 0.892 400 L HN 0.083 nan 8.230 nan 0.000 0.431 401 I N -0.288 120.162 120.570 -0.200 0.000 2.127 401 I HA -0.317 3.853 4.170 0.000 0.000 0.241 401 I C 2.598 178.681 176.117 -0.057 0.000 1.075 401 I CA 1.651 62.858 61.300 -0.155 0.000 1.334 401 I CB -1.267 36.634 38.000 -0.166 0.000 1.040 401 I HN 0.323 nan 8.210 nan 0.000 0.405 402 L N 0.037 121.247 121.223 -0.022 0.000 2.093 402 L HA -0.185 4.155 4.340 0.000 0.000 0.208 402 L C 2.700 179.559 176.870 -0.019 0.000 1.085 402 L CA 1.414 56.251 54.840 -0.005 0.000 0.755 402 L CB -0.614 41.462 42.059 0.028 0.000 0.904 402 L HN 0.276 nan 8.230 nan 0.000 0.435 403 S N -0.224 115.464 115.700 -0.020 0.000 2.400 403 S HA -0.165 4.305 4.470 0.000 0.000 0.232 403 S C 1.521 176.105 174.600 -0.025 0.000 1.025 403 S CA 1.203 59.390 58.200 -0.021 0.000 0.993 403 S CB -0.075 63.114 63.200 -0.018 0.000 0.808 403 S HN 0.403 nan 8.310 nan 0.000 0.478 404 E N 0.627 120.810 120.200 -0.029 0.000 2.499 404 E HA 0.158 4.508 4.350 0.000 0.000 0.199 404 E C 1.531 178.118 176.600 -0.022 0.000 1.016 404 E CA -0.270 56.116 56.400 -0.022 0.000 0.933 404 E CB -0.011 29.678 29.700 -0.019 0.000 1.050 404 E HN 0.506 nan 8.360 nan 0.000 0.462 405 R N 1.470 121.951 120.500 -0.032 0.000 2.112 405 R HA -0.200 4.140 4.340 0.000 0.000 0.242 405 R C 0.898 177.162 176.300 -0.061 0.000 1.137 405 R CA 1.875 57.949 56.100 -0.044 0.000 0.944 405 R CB 0.106 30.374 30.300 -0.053 0.000 0.857 405 R HN 0.085 nan 8.270 nan 0.000 0.435 406 D N -0.267 120.096 120.400 -0.061 0.000 2.149 406 D HA -0.159 4.481 4.640 0.000 0.000 0.201 406 D C 2.026 178.293 176.300 -0.056 0.000 0.972 406 D CA 1.418 55.374 54.000 -0.073 0.000 0.835 406 D CB -0.220 40.541 40.800 -0.065 0.000 0.966 406 D HN 0.450 nan 8.370 nan 0.000 0.476 407 R N 0.782 121.263 120.500 -0.031 0.000 2.148 407 R HA 0.019 4.359 4.340 0.000 0.000 0.223 407 R C 1.996 178.300 176.300 0.006 0.000 1.088 407 R CA 0.778 56.871 56.100 -0.013 0.000 0.985 407 R CB -0.430 29.869 30.300 -0.001 0.000 0.880 407 R HN 0.145 nan 8.270 nan 0.000 0.451 408 L N 0.336 121.568 121.223 0.015 0.000 2.446 408 L HA 0.279 4.619 4.340 0.000 0.000 0.219 408 L C 0.910 177.804 176.870 0.040 0.000 1.116 408 L CA 0.511 55.393 54.840 0.070 0.000 0.844 408 L CB 0.010 42.133 42.059 0.106 0.000 0.970 408 L HN 0.629 nan 8.230 nan 0.000 0.457 409 G N 1.537 110.300 108.800 -0.061 0.000 2.272 409 G HA2 -0.287 3.673 3.960 0.000 0.000 0.280 409 G HA3 -0.287 3.673 3.960 0.000 0.000 0.280 409 G C 0.035 174.738 174.900 -0.330 0.000 1.067 409 G CA -0.200 44.795 45.100 -0.175 0.000 0.902 409 G HN 0.300 nan 8.290 nan 0.000 0.500 410 I N 0.809 121.229 120.570 -0.250 0.000 2.294 410 I HA 0.214 4.384 4.170 0.000 0.000 0.295 410 I C 0.911 176.809 176.117 -0.364 0.000 1.098 410 I CA -0.043 61.105 61.300 -0.254 0.000 1.277 410 I CB 0.446 38.401 38.000 -0.074 0.000 1.434 410 I HN 0.083 nan 8.210 nan 0.000 0.498 411 K N 3.369 123.285 120.400 -0.807 0.000 2.087 411 K HA 0.338 4.658 4.320 0.000 0.000 0.255 411 K C 1.145 177.511 176.600 -0.390 0.000 0.988 411 K CA -0.465 55.305 56.287 -0.863 0.000 0.915 411 K CB 1.239 32.779 32.500 -1.600 0.000 1.043 411 K HN 0.561 nan 8.250 nan 0.000 0.457 412 T N -3.115 111.283 114.554 -0.259 0.000 3.051 412 T HA 0.045 4.395 4.350 0.000 0.000 0.255 412 T C 0.688 175.365 174.700 -0.038 0.000 1.085 412 T CA -0.110 61.947 62.100 -0.071 0.000 1.109 412 T CB -0.139 68.693 68.868 -0.060 0.000 0.921 412 T HN 0.371 nan 8.240 nan 0.000 0.488 413 V N -1.700 118.113 119.914 -0.168 0.000 2.577 413 V HA 0.810 4.931 4.120 0.000 0.000 0.303 413 V C -1.807 174.202 176.094 -0.143 0.000 1.042 413 V CA -1.752 60.514 62.300 -0.055 0.000 0.872 413 V CB 0.884 32.684 31.823 -0.037 0.000 0.998 413 V HN 0.351 nan 8.190 nan 0.000 0.423 414 W N 3.597 124.852 121.300 -0.074 0.000 2.844 414 W HA 0.734 5.394 4.660 0.000 0.000 0.340 414 W C -2.719 173.799 176.519 -0.002 0.000 1.093 414 W CA -2.506 54.820 57.345 -0.031 0.000 1.212 414 W CB 1.819 31.280 29.460 0.000 0.000 1.422 414 W HN 0.344 nan 8.180 nan 0.000 0.515 415 P HA 0.074 nan 4.420 nan 0.000 0.271 415 P C 0.839 178.289 177.300 0.250 0.000 1.226 415 P CA 0.380 63.602 63.100 0.202 0.000 0.765 415 P CB 0.823 32.616 31.700 0.156 0.000 0.835 416 T N 2.805 117.464 114.554 0.176 0.000 2.699 416 T HA -0.235 4.115 4.350 0.000 0.000 0.268 416 T C 1.770 176.574 174.700 0.173 0.000 1.036 416 T CA 1.771 63.966 62.100 0.158 0.000 1.147 416 T CB -0.352 68.573 68.868 0.096 0.000 0.862 416 T HN 0.432 nan 8.240 nan 0.000 0.446 417 R N 1.470 122.054 120.500 0.141 0.000 2.091 417 R HA -0.102 4.238 4.340 0.000 0.000 0.238 417 R C 2.115 178.501 176.300 0.145 0.000 1.136 417 R CA 1.856 58.027 56.100 0.119 0.000 0.959 417 R CB -0.388 29.969 30.300 0.095 0.000 0.856 417 R HN 0.476 nan 8.270 nan 0.000 0.437 418 E N -1.181 119.144 120.200 0.209 0.000 2.152 418 E HA -0.203 4.148 4.350 0.000 0.000 0.192 418 E C 1.575 178.360 176.600 0.309 0.000 0.983 418 E CA 1.139 57.705 56.400 0.277 0.000 0.818 418 E CB -0.203 29.704 29.700 0.344 0.000 0.758 418 E HN 0.432 nan 8.360 nan 0.000 0.467 419 Y N 1.530 121.875 120.300 0.075 0.000 2.220 419 Y HA -0.179 4.371 4.550 0.000 0.000 0.291 419 Y C 2.354 178.158 175.900 -0.160 0.000 1.129 419 Y CA 1.628 59.483 58.100 -0.410 0.000 1.161 419 Y CB -0.332 37.734 38.460 -0.657 0.000 0.997 419 Y HN -0.111 nan 8.280 nan 0.000 0.522 420 T N 0.421 114.941 114.554 -0.058 0.000 2.684 420 T HA -0.187 4.163 4.350 0.000 0.000 0.267 420 T C 1.328 175.979 174.700 -0.080 0.000 1.036 420 T CA 1.756 63.803 62.100 -0.089 0.000 1.148 420 T CB -0.394 68.487 68.868 0.020 0.000 0.863 420 T HN 0.357 nan 8.240 nan 0.000 0.436 421 D N 0.446 120.854 120.400 0.012 0.000 2.123 421 D HA -0.067 4.573 4.640 0.000 0.000 0.196 421 D C 1.665 178.012 176.300 0.080 0.000 0.992 421 D CA 0.736 54.770 54.000 0.058 0.000 0.833 421 D CB -0.501 40.358 40.800 0.097 0.000 0.954 421 D HN 0.366 nan 8.370 nan 0.000 0.455 422 F N 1.804 121.697 119.950 -0.094 0.000 2.095 422 F HA -0.157 4.370 4.527 0.000 0.000 0.298 422 F C 2.282 178.038 175.800 -0.074 0.000 1.104 422 F CA 1.442 59.401 58.000 -0.069 0.000 1.232 422 F CB -0.085 38.793 39.000 -0.204 0.000 0.987 422 F HN -0.204 nan 8.300 nan 0.000 0.475 423 R N 0.371 120.653 120.500 -0.363 0.000 2.096 423 R HA -0.242 4.098 4.340 0.000 0.000 0.240 423 R C 2.363 178.536 176.300 -0.212 0.000 1.139 423 R CA 2.178 58.072 56.100 -0.344 0.000 0.952 423 R CB -0.794 29.300 30.300 -0.343 0.000 0.854 423 R HN 0.637 nan 8.270 nan 0.000 0.436 424 E N -0.607 119.510 120.200 -0.139 0.000 2.216 424 E HA -0.202 4.148 4.350 0.000 0.000 0.192 424 E C 1.648 178.197 176.600 -0.085 0.000 0.988 424 E CA 0.787 57.124 56.400 -0.104 0.000 0.834 424 E CB -0.293 29.373 29.700 -0.057 0.000 0.772 424 E HN 0.415 nan 8.360 nan 0.000 0.479 425 Y N 1.085 121.291 120.300 -0.156 0.000 2.130 425 Y HA -0.029 4.521 4.550 0.000 0.000 0.287 425 Y C 1.110 176.926 175.900 -0.139 0.000 1.124 425 Y CA 0.953 58.986 58.100 -0.111 0.000 1.118 425 Y CB -0.259 38.177 38.460 -0.040 0.000 0.994 425 Y HN 0.091 nan 8.280 nan 0.000 0.497 426 F N 0.508 120.290 119.950 -0.279 0.000 2.521 426 F HA -0.005 4.522 4.527 0.000 0.000 0.298 426 F C 1.016 176.639 175.800 -0.295 0.000 1.289 426 F CA 0.198 57.977 58.000 -0.370 0.000 1.315 426 F CB 0.198 38.779 39.000 -0.698 0.000 1.257 426 F HN 0.133 nan 8.300 nan 0.000 0.541 427 M N 2.133 120.768 119.600 -1.609 0.000 2.212 427 M HA -0.258 4.222 4.480 0.000 0.000 0.193 427 M C 0.278 176.263 176.300 -0.524 0.000 0.493 427 M CA 0.762 55.430 55.300 -1.053 0.000 0.427 427 M CB -1.115 31.083 32.600 -0.670 0.000 1.120 427 M HN 0.806 nan 8.290 nan 0.000 0.929 428 E N -1.089 118.837 120.200 -0.457 0.000 2.474 428 E HA 0.182 4.532 4.350 0.000 0.000 0.195 428 E C -0.029 176.425 176.600 -0.244 0.000 1.039 428 E CA 0.136 56.355 56.400 -0.301 0.000 0.881 428 E CB 0.703 30.233 29.700 -0.283 0.000 0.970 428 E HN 0.402 nan 8.360 nan 0.000 0.486 429 V N 0.917 120.668 119.914 -0.273 0.000 2.483 429 V HA 0.573 4.693 4.120 0.000 0.000 0.297 429 V C -0.662 175.313 176.094 -0.198 0.000 1.027 429 V CA -0.604 61.574 62.300 -0.203 0.000 0.855 429 V CB 1.622 33.345 31.823 -0.167 0.000 0.995 429 V HN 0.066 nan 8.190 nan 0.000 0.424 430 A N 3.063 125.794 122.820 -0.149 0.000 2.839 430 A HA 0.470 4.790 4.320 0.000 0.000 0.303 430 A C -0.403 177.127 177.584 -0.090 0.000 1.181 430 A CA -0.309 51.657 52.037 -0.119 0.000 0.808 430 A CB 0.573 19.501 19.000 -0.121 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.365 122.717 120.400 -0.080 0.000 2.615 431 D HA 0.409 5.049 4.640 0.000 0.000 0.236 431 D C 1.153 177.421 176.300 -0.053 0.000 1.233 431 D CA 0.307 54.266 54.000 -0.068 0.000 0.829 431 D CB -0.487 40.271 40.800 -0.070 0.000 1.024 431 D HN 0.651 nan 8.370 nan 0.000 0.490 432 L N -1.497 119.697 121.223 -0.048 0.000 5.895 432 L HA -0.352 3.988 4.340 0.000 0.000 0.053 432 L C 0.615 177.465 176.870 -0.035 0.000 2.741 432 L CA 1.241 56.059 54.840 -0.037 0.000 1.500 432 L CB -1.647 40.393 42.059 -0.033 0.000 2.928 432 L HN 0.282 nan 8.230 nan 0.000 1.023 433 N N -0.387 118.295 118.700 -0.030 0.000 3.112 433 N HA 0.647 5.388 4.740 0.000 0.000 0.231 433 N C -0.378 175.117 175.510 -0.025 0.000 1.385 433 N CA 0.454 53.487 53.050 -0.028 0.000 0.790 433 N CB 0.498 38.971 38.487 -0.023 0.000 1.563 433 N HN 1.151 nan 8.380 nan 0.000 0.613 434 S N 1.053 116.737 115.700 -0.027 0.000 2.560 434 S HA 0.501 4.972 4.470 0.000 0.000 0.276 434 S C -1.251 173.338 174.600 -0.019 0.000 1.350 434 S CA -0.511 57.675 58.200 -0.024 0.000 1.024 434 S CB -0.717 62.468 63.200 -0.026 0.000 0.864 434 S HN 0.584 nan 8.310 nan 0.000 0.536 435 P HA -0.094 nan 4.420 nan 0.000 0.041 435 P C 0.190 177.482 177.300 -0.012 0.000 0.590 435 P CA 0.555 63.646 63.100 -0.014 0.000 1.019 435 P CB -0.686 31.007 31.700 -0.013 0.000 1.776 436 L N 0.569 121.784 121.223 -0.012 0.000 2.127 436 L HA -0.106 4.234 4.340 0.000 0.000 0.203 436 L C 2.682 179.547 176.870 -0.009 0.000 1.080 436 L CA 1.643 56.478 54.840 -0.010 0.000 0.768 436 L CB -1.044 41.009 42.059 -0.010 0.000 0.924 436 L HN 0.071 nan 8.230 nan 0.000 0.444 437 K N 0.943 121.337 120.400 -0.010 0.000 2.362 437 K HA -0.116 4.204 4.320 0.000 0.000 0.202 437 K C 1.524 178.119 176.600 -0.008 0.000 1.045 437 K CA 1.993 58.274 56.287 -0.009 0.000 0.936 437 K CB -0.824 31.669 32.500 -0.010 0.000 0.747 437 K HN 0.517 nan 8.250 nan 0.000 0.467 438 I N -1.855 118.710 120.570 -0.008 0.000 4.439 438 I HA 0.225 4.395 4.170 0.000 0.000 0.331 438 I C 2.414 178.527 176.117 -0.007 0.000 1.345 438 I CA 0.418 61.714 61.300 -0.008 0.000 1.193 438 I CB 0.745 38.739 38.000 -0.008 0.000 1.221 438 I HN 0.219 nan 8.210 nan 0.000 0.429 439 A N 1.631 124.447 122.820 -0.007 0.000 1.862 439 A HA 0.026 4.346 4.320 0.000 0.000 0.217 439 A C 1.436 179.017 177.584 -0.005 0.000 1.251 439 A CA 2.137 54.171 52.037 -0.006 0.000 0.673 439 A CB -1.172 17.824 19.000 -0.005 0.000 0.843 439 A HN 0.416 nan 8.150 nan 0.000 0.458 440 G N 0.000 108.798 108.800 -0.004 0.000 5.446 440 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 440 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925