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_P DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPGXX XALNGTINAV 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 0.651 176.580 176.000 -0.118 0.000 1.030 9 Q CA 0.687 56.420 55.803 -0.116 0.000 0.788 9 Q CB 0.735 29.416 28.738 -0.096 0.000 1.266 9 Q HN 2.519 nan 8.270 nan 0.000 0.438 10 Q N 0.466 120.204 119.800 -0.103 0.000 2.363 10 Q HA -0.278 4.062 4.340 0.000 0.000 0.409 10 Q C 1.128 177.051 176.000 -0.129 0.000 1.118 10 Q CA 4.470 60.211 55.803 -0.103 0.000 0.966 10 Q CB -2.623 26.066 28.738 -0.082 0.000 1.795 10 Q HN 2.313 nan 8.270 nan 0.000 0.941 11 I N -6.410 114.088 120.570 -0.120 0.000 3.519 11 I HA 0.730 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 -0.591 60.631 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 0.655 nan 8.210 nan 0.000 0.420 12 V N 1.735 121.610 119.914 -0.065 0.000 2.419 12 V HA 0.291 4.411 4.120 0.000 0.000 0.287 12 V C -1.866 174.263 176.094 0.058 0.000 1.017 12 V CA -1.097 61.184 62.300 -0.032 0.000 0.844 12 V CB 1.085 32.867 31.823 -0.069 0.000 1.011 12 V HN 0.537 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 1.688 64.836 63.100 0.080 0.000 0.895 13 P CB 0.115 31.864 31.700 0.081 0.000 0.792 14 F N -0.346 119.622 119.950 0.029 0.000 2.102 14 F HA -0.165 4.362 4.527 0.000 0.000 0.298 14 F C 2.047 177.887 175.800 0.068 0.000 1.105 14 F CA 1.294 59.312 58.000 0.030 0.000 1.239 14 F CB -0.731 38.262 39.000 -0.010 0.000 0.991 14 F HN -0.235 nan 8.300 nan 0.000 0.474 15 I N 0.653 121.230 120.570 0.011 0.000 2.208 15 I HA -0.283 3.887 4.170 0.000 0.000 0.245 15 I C 2.584 178.690 176.117 -0.019 0.000 1.097 15 I CA 1.428 62.721 61.300 -0.013 0.000 1.363 15 I CB -1.309 36.848 38.000 0.260 0.000 1.051 15 I HN 0.212 nan 8.210 nan 0.000 0.413 16 R N 0.273 120.837 120.500 0.107 0.000 2.083 16 R HA -0.197 4.143 4.340 0.000 0.000 0.237 16 R C 2.596 178.911 176.300 0.025 0.000 1.137 16 R CA 2.141 58.334 56.100 0.156 0.000 0.951 16 R CB -0.236 30.133 30.300 0.115 0.000 0.851 16 R HN 0.227 nan 8.270 nan 0.000 0.434 17 S N 0.073 115.730 115.700 -0.072 0.000 2.368 17 S HA -0.117 4.353 4.470 0.000 0.000 0.224 17 S C 1.847 176.333 174.600 -0.190 0.000 1.029 17 S CA 1.132 59.268 58.200 -0.107 0.000 0.988 17 S CB -0.248 62.898 63.200 -0.090 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.306 122.294 121.223 -0.392 0.000 2.027 18 L HA 0.133 4.473 4.340 0.000 0.000 0.206 18 L C 1.965 178.759 176.870 -0.127 0.000 1.074 18 L CA 1.803 56.431 54.840 -0.352 0.000 0.745 18 L CB -0.448 41.276 42.059 -0.558 0.000 0.898 18 L HN 0.374 nan 8.230 nan 0.000 0.433 19 L N -1.531 119.639 121.223 -0.089 0.000 2.375 19 L HA 0.081 4.421 4.340 0.000 0.000 0.215 19 L C 0.680 177.634 176.870 0.140 0.000 1.108 19 L CA 0.317 55.173 54.840 0.027 0.000 0.830 19 L CB -0.000 41.991 42.059 -0.113 0.000 0.959 19 L HN 0.237 nan 8.230 nan 0.000 0.457 20 M N -0.530 119.128 119.600 0.097 0.000 2.389 20 M HA 0.239 4.719 4.480 0.000 0.000 0.206 20 M C -1.978 174.362 176.300 0.067 0.000 0.976 20 M CA -1.279 54.103 55.300 0.137 0.000 0.648 20 M CB 1.589 34.264 32.600 0.125 0.000 1.474 20 M HN -0.264 nan 8.290 nan 0.000 0.398 21 P HA -0.156 nan 4.420 nan 0.000 0.219 21 P C 1.359 178.659 177.300 0.001 0.000 1.146 21 P CA 1.467 64.559 63.100 -0.013 0.000 0.808 21 P CB -0.177 31.494 31.700 -0.048 0.000 0.779 22 T N -5.722 108.845 114.554 0.022 0.000 3.051 22 T HA -0.079 4.271 4.350 0.000 0.000 0.269 22 T C 1.698 176.412 174.700 0.024 0.000 1.127 22 T CA 1.384 63.497 62.100 0.022 0.000 1.107 22 T CB -1.427 67.462 68.868 0.034 0.000 0.898 22 T HN 0.016 nan 8.240 nan 0.000 0.517 23 T N 0.849 115.419 114.554 0.027 0.000 3.023 23 T HA 0.453 4.803 4.350 0.000 0.000 0.266 23 T C 0.929 175.643 174.700 0.023 0.000 1.093 23 T CA 1.048 63.162 62.100 0.024 0.000 1.129 23 T CB -0.659 68.227 68.868 0.030 0.000 0.899 23 T HN 0.990 nan 8.240 nan 0.000 0.491 24 G N 1.339 110.152 108.800 0.022 0.000 2.408 24 G HA2 0.074 4.034 3.960 0.000 0.000 0.682 24 G HA3 0.074 4.034 3.960 0.000 0.000 0.682 24 G C -3.334 171.584 174.900 0.030 0.000 1.303 24 G CA -0.960 44.157 45.100 0.030 0.000 0.966 24 G HN 0.074 nan 8.290 nan 0.000 0.560 25 P HA 0.721 nan 4.420 nan 0.000 0.283 25 P C -0.461 176.900 177.300 0.102 0.000 1.271 25 P CA 0.182 63.323 63.100 0.068 0.000 0.841 25 P CB 1.986 33.739 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 -0.524 177.215 177.584 0.258 0.000 1.072 26 A CA -0.541 51.618 52.037 0.203 0.000 0.691 26 A CB 0.725 19.861 19.000 0.226 0.000 1.291 26 A HN 0.382 nan 8.150 nan 0.000 0.404 27 S N 0.798 116.636 115.700 0.229 0.000 2.549 27 S HA 0.360 4.830 4.470 0.000 0.000 0.279 27 S C 0.297 174.880 174.600 -0.028 0.000 1.321 27 S CA -0.159 58.147 58.200 0.176 0.000 1.054 27 S CB 0.069 63.438 63.200 0.282 0.000 0.899 27 S HN 0.463 nan 8.310 nan 0.000 0.497 28 I N 4.937 125.376 120.570 -0.218 0.000 2.598 28 I HA 0.106 4.276 4.170 0.000 0.000 0.284 28 I C -1.563 174.219 176.117 -0.559 0.000 1.140 28 I CA -1.408 59.467 61.300 -0.708 0.000 1.420 28 I CB 0.387 38.074 38.000 -0.521 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 -1.048 176.088 177.300 -0.273 0.000 1.807 29 P CA -0.267 62.620 63.100 -0.355 0.000 0.921 29 P CB -0.404 31.110 31.700 -0.310 0.000 1.835 30 D N -1.021 119.232 120.400 -0.245 0.000 2.541 30 D HA 0.121 4.761 4.640 0.000 0.000 0.276 30 D C 0.447 176.728 176.300 -0.032 0.000 1.190 30 D CA -0.370 53.555 54.000 -0.124 0.000 1.095 30 D CB -0.005 40.734 40.800 -0.102 0.000 1.173 30 D HN -0.176 nan 8.370 nan 0.000 0.604 31 D N -1.344 119.057 120.400 0.002 0.000 2.349 31 D HA 0.040 4.680 4.640 0.000 0.000 0.214 31 D C -0.007 176.321 176.300 0.046 0.000 1.063 31 D CA 0.322 54.336 54.000 0.022 0.000 0.847 31 D CB 0.076 40.888 40.800 0.020 0.000 0.933 31 D HN 0.275 nan 8.370 nan 0.000 0.513 32 T N 2.124 116.716 114.554 0.063 0.000 4.104 32 T HA 0.177 4.527 4.350 0.000 0.000 0.285 32 T C 0.898 175.701 174.700 0.172 0.000 1.346 32 T CA -0.092 62.079 62.100 0.119 0.000 1.158 32 T CB -0.339 68.610 68.868 0.134 0.000 1.290 32 T HN 0.034 nan 8.240 nan 0.000 0.975 33 L N 3.405 124.719 121.223 0.153 0.000 2.404 33 L HA 0.253 4.593 4.340 0.000 0.000 0.277 33 L C 0.773 177.852 176.870 0.347 0.000 1.184 33 L CA 0.051 55.032 54.840 0.235 0.000 1.013 33 L CB -0.086 42.026 42.059 0.089 0.000 1.318 33 L HN 0.378 nan 8.230 nan 0.000 0.435 34 E N 2.945 123.337 120.200 0.321 0.000 2.207 34 E HA 0.316 4.666 4.350 0.000 0.000 0.270 34 E C -0.604 176.016 176.600 0.034 0.000 0.927 34 E CA -0.956 55.502 56.400 0.096 0.000 0.799 34 E CB 2.431 31.968 29.700 -0.273 0.000 1.172 34 E HN 0.319 nan 8.360 nan 0.000 0.404 35 K N 3.468 123.638 120.400 -0.384 0.000 2.412 35 K HA 0.047 4.367 4.320 0.000 0.000 0.284 35 K C 0.231 176.748 176.600 -0.139 0.000 1.046 35 K CA 0.320 56.323 56.287 -0.474 0.000 0.999 35 K CB 0.137 32.308 32.500 -0.548 0.000 0.941 35 K HN 0.524 nan 8.250 nan 0.000 0.474 36 H N -0.226 118.781 119.070 -0.105 0.000 2.959 36 H HA 0.484 5.040 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 55.259 56.048 0.019 0.000 1.206 36 H CB 1.933 31.799 29.762 0.173 0.000 1.891 36 H HN 0.402 nan 8.280 nan 0.000 0.573 37 T N 0.598 115.268 114.554 0.193 0.000 2.906 37 T HA 0.541 4.891 4.350 0.000 0.000 0.295 37 T C -0.891 173.950 174.700 0.234 0.000 1.061 37 T CA -0.739 61.435 62.100 0.124 0.000 1.000 37 T CB 1.110 70.057 68.868 0.130 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.497 124.826 121.223 0.178 0.000 2.307 38 L HA 0.740 5.080 4.340 0.000 0.000 0.284 38 L C 0.024 176.975 176.870 0.136 0.000 1.023 38 L CA -0.746 54.207 54.840 0.189 0.000 0.810 38 L CB 1.592 43.759 42.059 0.179 0.000 1.231 38 L HN 0.505 nan 8.230 nan 0.000 0.423 39 R N 0.904 121.490 120.500 0.143 0.000 2.771 39 R HA 0.601 4.941 4.340 0.000 0.000 0.274 39 R C -1.289 175.125 176.300 0.189 0.000 0.987 39 R CA -0.469 55.715 56.100 0.140 0.000 0.908 39 R CB 2.497 32.848 30.300 0.085 0.000 1.213 39 R HN 0.519 nan 8.270 nan 0.000 0.468 40 S N 1.185 116.980 115.700 0.158 0.000 2.501 40 S HA 0.500 4.970 4.470 0.000 0.000 0.301 40 S C -1.109 173.605 174.600 0.189 0.000 1.096 40 S CA -0.847 57.444 58.200 0.151 0.000 1.063 40 S CB 1.474 64.727 63.200 0.088 0.000 1.042 40 S HN 0.316 nan 8.310 nan 0.000 0.494 41 E N 2.333 122.676 120.200 0.238 0.000 2.224 41 E HA 0.338 4.688 4.350 0.000 0.000 0.265 41 E C -0.405 176.293 176.600 0.163 0.000 0.878 41 E CA -0.494 56.038 56.400 0.219 0.000 0.759 41 E CB 2.030 31.915 29.700 0.309 0.000 1.164 41 E HN 0.725 nan 8.360 nan 0.000 0.414 42 T N -0.566 114.054 114.554 0.110 0.000 2.882 42 T HA 0.506 4.856 4.350 0.000 0.000 0.287 42 T C 0.312 175.066 174.700 0.090 0.000 1.014 42 T CA -0.612 61.534 62.100 0.077 0.000 1.049 42 T CB 0.966 69.859 68.868 0.041 0.000 1.001 42 T HN 0.116 nan 8.240 nan 0.000 0.525 43 S N 1.328 117.081 115.700 0.088 0.000 2.561 43 S HA 0.668 5.138 4.470 0.000 0.000 0.303 43 S C -0.316 174.308 174.600 0.041 0.000 1.110 43 S CA -0.922 57.350 58.200 0.120 0.000 1.034 43 S CB 1.404 64.756 63.200 0.252 0.000 1.010 43 S HN 1.068 nan 8.310 nan 0.000 0.482 44 T N 1.165 115.619 114.554 -0.167 0.000 2.881 44 T HA 0.717 5.067 4.350 0.000 0.000 0.291 44 T C -1.313 173.079 174.700 -0.514 0.000 0.990 44 T CA -0.522 61.461 62.100 -0.196 0.000 0.976 44 T CB 0.429 69.207 68.868 -0.149 0.000 0.970 44 T HN 0.420 nan 8.240 nan 0.000 0.438 45 Y N 1.456 121.761 120.300 0.008 0.000 2.492 45 Y HA 0.553 5.103 4.550 0.000 0.000 0.346 45 Y C -0.172 175.703 175.900 -0.041 0.000 0.997 45 Y CA -1.231 56.859 58.100 -0.016 0.000 1.025 45 Y CB 2.336 40.782 38.460 -0.024 0.000 1.263 45 Y HN 0.571 nan 8.280 nan 0.000 0.454 46 N N 3.932 122.687 118.700 0.091 0.000 2.621 46 N HA 0.382 5.122 4.740 0.000 0.000 0.237 46 N C -1.307 174.208 175.510 0.008 0.000 0.997 46 N CA -0.298 52.766 53.050 0.024 0.000 0.918 46 N CB 0.936 39.424 38.487 0.002 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.960 122.146 121.223 -0.063 0.000 2.350 47 L HA 0.426 4.766 4.340 0.000 0.000 0.275 47 L C 0.720 177.549 176.870 -0.069 0.000 1.099 47 L CA -0.391 54.376 54.840 -0.122 0.000 0.808 47 L CB 0.797 42.594 42.059 -0.437 0.000 1.149 47 L HN 0.172 nan 8.230 nan 0.000 0.442 48 T N 1.836 116.402 114.554 0.019 0.000 2.799 48 T HA 0.340 4.690 4.350 0.000 0.000 0.286 48 T C 0.084 174.850 174.700 0.110 0.000 0.973 48 T CA -0.484 61.641 62.100 0.042 0.000 1.035 48 T CB 1.672 70.566 68.868 0.044 0.000 0.932 48 T HN 0.205 nan 8.240 nan 0.000 0.469 49 V N 3.462 123.424 119.914 0.080 0.000 2.555 49 V HA 0.462 4.582 4.120 0.000 0.000 0.286 49 V C 1.215 177.388 176.094 0.132 0.000 1.044 49 V CA -0.266 62.127 62.300 0.155 0.000 1.026 49 V CB 1.031 32.918 31.823 0.106 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.349 111.242 108.800 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 0.540 175.476 174.900 0.060 0.000 1.350 50 G CA -0.234 44.918 45.100 0.086 0.000 1.039 50 G HN 0.673 nan 8.290 nan 0.000 0.509 51 D N -0.510 119.909 120.400 0.030 0.000 2.158 51 D HA -0.151 4.489 4.640 0.000 0.000 0.197 51 D C 2.798 179.102 176.300 0.007 0.000 0.995 51 D CA 2.105 56.114 54.000 0.014 0.000 0.846 51 D CB -0.261 40.539 40.800 0.001 0.000 0.941 51 D HN 0.449 nan 8.370 nan 0.000 0.456 52 T N -3.592 110.961 114.554 -0.001 0.000 3.088 52 T HA 0.223 4.573 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 0.852 62.940 62.100 -0.021 0.000 1.095 52 T CB 0.153 68.986 68.868 -0.058 0.000 0.930 52 T HN 0.218 nan 8.240 nan 0.000 0.508 53 G N 0.220 109.048 108.800 0.046 0.000 2.160 53 G HA2 -0.188 3.772 3.960 0.000 0.000 0.251 53 G HA3 -0.188 3.772 3.960 0.000 0.000 0.251 53 G C 0.042 175.026 174.900 0.141 0.000 1.008 53 G CA 0.286 45.444 45.100 0.096 0.000 0.724 53 G HN 1.002 nan 8.290 nan 0.000 0.514 54 S N -1.329 114.408 115.700 0.063 0.000 2.546 54 S HA 0.930 5.400 4.470 0.000 0.000 0.274 54 S C 0.097 174.484 174.600 -0.356 0.000 1.121 54 S CA 0.718 58.825 58.200 -0.155 0.000 0.887 54 S CB 1.847 64.952 63.200 -0.159 0.000 1.094 54 S HN 1.937 nan 8.310 nan 0.000 0.474 55 G N 1.101 109.365 108.800 -0.893 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 -0.524 44.215 45.100 -0.602 0.000 0.803 55 G HN 1.006 nan 8.290 nan 0.000 0.482 56 L N -0.125 121.129 121.223 0.053 0.000 2.464 56 L HA 0.779 5.119 4.340 0.000 0.000 0.266 56 L C -1.211 175.771 176.870 0.186 0.000 0.965 56 L CA -0.652 54.251 54.840 0.104 0.000 0.833 56 L CB 1.791 43.846 42.059 -0.007 0.000 1.296 56 L HN 0.519 nan 8.230 nan 0.000 0.405 57 I N 5.361 125.975 120.570 0.074 0.000 2.339 57 I HA 0.443 4.614 4.170 0.000 0.000 0.290 57 I C -0.652 175.226 176.117 -0.398 0.000 0.994 57 I CA -0.907 60.288 61.300 -0.176 0.000 1.191 57 I CB 1.841 39.628 38.000 -0.355 0.000 1.343 57 I HN 0.255 nan 8.210 nan 0.000 0.458 58 V N 7.301 126.936 119.914 -0.465 0.000 2.350 58 V HA 0.362 4.482 4.120 0.000 0.000 0.276 58 V C -0.274 175.337 176.094 -0.804 0.000 1.028 58 V CA -0.328 61.637 62.300 -0.558 0.000 0.860 58 V CB 0.834 32.350 31.823 -0.513 0.000 0.990 58 V HN 0.403 nan 8.190 nan 0.000 0.453 59 F N 4.097 123.772 119.950 -0.458 0.000 2.458 59 F HA 0.582 5.109 4.527 0.000 0.000 0.330 59 F C -0.014 175.462 175.800 -0.539 0.000 1.082 59 F CA -0.622 57.128 58.000 -0.417 0.000 0.995 59 F CB 1.747 40.655 39.000 -0.153 0.000 1.170 59 F HN 0.367 nan 8.300 nan 0.000 0.478 60 F N 3.645 123.767 119.950 0.288 0.000 2.319 60 F HA 0.280 4.807 4.527 0.000 0.000 0.356 60 F C -1.634 174.311 175.800 0.242 0.000 1.100 60 F CA -1.814 56.327 58.000 0.235 0.000 1.220 60 F CB 0.255 39.387 39.000 0.221 0.000 1.506 60 F HN 0.269 nan 8.300 nan 0.000 0.512 61 P HA -0.132 nan 4.420 nan 0.000 0.219 61 P C 1.386 178.791 177.300 0.175 0.000 1.146 61 P CA 1.243 64.436 63.100 0.155 0.000 0.808 61 P CB 0.317 32.062 31.700 0.075 0.000 0.779 62 G N -1.691 107.245 108.800 0.227 0.000 3.337 62 G HA2 0.048 4.008 3.960 0.000 0.000 0.246 62 G HA3 0.048 4.008 3.960 0.000 0.000 0.246 62 G C -0.166 174.889 174.900 0.258 0.000 1.131 62 G CA -0.388 44.824 45.100 0.187 0.000 0.773 62 G HN 0.152 nan 8.290 nan 0.000 0.544 63 F N 3.164 123.248 119.950 0.223 0.000 2.571 63 F HA 0.287 4.814 4.527 0.000 0.000 0.384 63 F C -1.595 174.354 175.800 0.250 0.000 1.058 63 F CA -2.445 55.688 58.000 0.222 0.000 1.200 63 F CB 1.114 40.249 39.000 0.225 0.000 1.077 63 F HN -0.053 nan 8.300 nan 0.000 0.558 64 P HA 0.318 nan 4.420 nan 0.000 0.238 64 P C -0.053 177.181 177.300 -0.111 0.000 1.794 64 P CA 0.358 63.407 63.100 -0.086 0.000 1.088 64 P CB 0.232 31.800 31.700 -0.220 0.000 1.923 65 G N 0.422 109.417 108.800 0.324 0.000 2.368 65 G HA2 0.002 3.962 3.960 0.000 0.000 0.269 65 G HA3 0.002 3.962 3.960 0.000 0.000 0.269 65 G C 0.216 175.374 174.900 0.429 0.000 1.291 65 G CA -0.348 44.906 45.100 0.257 0.000 0.903 65 G HN -0.041 nan 8.290 nan 0.000 0.483 66 S N -0.418 115.462 115.700 0.300 0.000 2.593 66 S HA 0.295 4.765 4.470 0.000 0.000 0.217 66 S C 0.924 175.613 174.600 0.147 0.000 0.966 66 S CA 0.061 58.377 58.200 0.194 0.000 0.914 66 S CB -0.252 63.011 63.200 0.106 0.000 0.776 66 S HN 0.348 nan 8.310 nan 0.000 0.523 67 I N 1.330 121.879 120.570 -0.036 0.000 2.337 67 I HA 0.146 4.316 4.170 0.000 0.000 0.291 67 I C 0.835 176.927 176.117 -0.041 0.000 1.046 67 I CA -0.126 61.003 61.300 -0.286 0.000 1.324 67 I CB 1.441 38.901 38.000 -0.901 0.000 1.409 67 I HN -0.059 nan 8.210 nan 0.000 0.494 68 V N 5.330 125.345 119.914 0.168 0.000 2.922 68 V HA 0.436 4.556 4.120 0.000 0.000 0.242 68 V C 0.946 177.278 176.094 0.397 0.000 1.094 68 V CA 1.062 63.551 62.300 0.315 0.000 1.106 68 V CB 0.409 32.418 31.823 0.310 0.000 0.799 68 V HN 0.961 nan 8.190 nan 0.000 0.474 69 G N -1.123 107.825 108.800 0.248 0.000 2.348 69 G HA2 0.660 4.620 3.960 0.000 0.000 0.296 69 G HA3 0.660 4.620 3.960 0.000 0.000 0.296 69 G C -1.841 173.030 174.900 -0.049 0.000 1.258 69 G CA 0.155 45.244 45.100 -0.018 0.000 0.868 69 G HN 0.660 nan 8.290 nan 0.000 0.488 70 A N -0.612 122.077 122.820 -0.218 0.000 2.549 70 A HA 0.790 5.110 4.320 0.000 0.000 0.297 70 A C -1.285 176.128 177.584 -0.285 0.000 1.061 70 A CA -0.440 51.500 52.037 -0.162 0.000 0.690 70 A CB 1.544 20.559 19.000 0.024 0.000 1.287 70 A HN 1.208 nan 8.150 nan 0.000 0.402 71 H N 1.236 120.008 119.070 -0.497 0.000 2.466 71 H HA 0.647 5.203 4.556 0.000 0.000 0.338 71 H C -1.803 173.227 175.328 -0.496 0.000 1.091 71 H CA -0.289 55.527 56.048 -0.387 0.000 1.207 71 H CB 0.912 30.496 29.762 -0.297 0.000 1.466 71 H HN 0.613 nan 8.280 nan 0.000 0.493 72 Y N 2.112 122.195 120.300 -0.363 0.000 2.425 72 Y HA 0.171 4.721 4.550 0.000 0.000 0.344 72 Y C 0.457 176.185 175.900 -0.286 0.000 0.969 72 Y CA -0.824 57.144 58.100 -0.220 0.000 1.052 72 Y CB 2.138 40.663 38.460 0.110 0.000 1.215 72 Y HN 0.582 nan 8.280 nan 0.000 0.451 73 T N 0.549 115.054 114.554 -0.081 0.000 2.922 73 T HA 0.571 4.921 4.350 0.000 0.000 0.285 73 T C -0.758 173.983 174.700 0.069 0.000 1.005 73 T CA -0.752 61.344 62.100 -0.006 0.000 1.061 73 T CB 1.392 70.251 68.868 -0.016 0.000 1.007 73 T HN 0.459 nan 8.240 nan 0.000 0.502 74 L N 1.859 123.047 121.223 -0.058 0.000 2.334 74 L HA 0.447 4.787 4.340 0.000 0.000 0.277 74 L C -0.056 176.714 176.870 -0.167 0.000 1.075 74 L CA -0.032 54.650 54.840 -0.264 0.000 0.804 74 L CB 1.149 42.992 42.059 -0.361 0.000 1.174 74 L HN 0.761 nan 8.230 nan 0.000 0.438 75 Q N 2.353 122.040 119.800 -0.187 0.000 2.297 75 Q HA 0.357 4.697 4.340 0.000 0.000 0.269 75 Q C 0.918 176.851 176.000 -0.111 0.000 1.051 75 Q CA -0.176 55.561 55.803 -0.110 0.000 0.869 75 Q CB 1.458 30.150 28.738 -0.077 0.000 1.346 75 Q HN 0.899 nan 8.270 nan 0.000 0.457 76 G N 1.648 110.403 108.800 -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 0.884 175.738 174.900 -0.076 0.000 1.156 76 G CA 1.427 46.487 45.100 -0.066 0.000 0.766 76 G HN 0.844 nan 8.290 nan 0.000 0.583 77 N N 0.809 119.463 118.700 -0.077 0.000 2.515 77 N HA 0.132 4.872 4.740 0.000 0.000 0.191 77 N C 1.555 177.003 175.510 -0.103 0.000 1.182 77 N CA 1.016 54.019 53.050 -0.077 0.000 0.879 77 N CB 0.056 38.505 38.487 -0.064 0.000 0.984 77 N HN 0.584 nan 8.380 nan 0.000 0.453 78 G N 0.417 109.133 108.800 -0.140 0.000 2.176 78 G HA2 -0.256 3.704 3.960 0.000 0.000 0.253 78 G HA3 -0.256 3.704 3.960 0.000 0.000 0.253 78 G C -0.210 174.538 174.900 -0.254 0.000 0.979 78 G CA -0.190 44.797 45.100 -0.188 0.000 0.641 78 G HN 0.430 nan 8.290 nan 0.000 0.530 79 N N -0.146 118.427 118.700 -0.211 0.000 2.515 79 N HA 0.554 5.294 4.740 0.000 0.000 0.279 79 N C -0.082 175.272 175.510 -0.260 0.000 1.164 79 N CA -0.256 52.674 53.050 -0.199 0.000 0.982 79 N CB 0.446 38.872 38.487 -0.102 0.000 1.170 79 N HN 0.231 nan 8.380 nan 0.000 0.474 80 Y N 0.283 120.515 120.300 -0.113 0.000 2.301 80 Y HA 0.240 4.791 4.550 0.000 0.000 0.328 80 Y C 1.008 176.940 175.900 0.053 0.000 1.242 80 Y CA 0.096 58.179 58.100 -0.030 0.000 1.323 80 Y CB 1.022 39.438 38.460 -0.073 0.000 1.266 80 Y HN 0.193 nan 8.280 nan 0.000 0.527 81 K N 3.275 123.863 120.400 0.313 0.000 2.471 81 K HA 0.253 4.573 4.320 0.000 0.000 0.252 81 K C -1.437 175.369 176.600 0.345 0.000 0.938 81 K CA -0.801 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 0.560 nan 8.250 nan 0.000 0.425 82 F N 3.834 123.929 119.950 0.242 0.000 2.607 82 F HA -0.031 4.496 4.527 0.000 0.000 0.374 82 F C 0.885 176.620 175.800 -0.109 0.000 1.104 82 F CA 0.688 58.682 58.000 -0.009 0.000 1.296 82 F CB 0.797 39.817 39.000 0.033 0.000 1.085 82 F HN 0.818 nan 8.300 nan 0.000 0.584 83 D N 2.325 122.132 120.400 -0.987 0.000 2.805 83 D HA 0.107 4.747 4.640 0.000 0.000 0.271 83 D C -0.612 175.006 176.300 -1.137 0.000 1.166 83 D CA 0.922 54.462 54.000 -0.767 0.000 1.004 83 D CB 0.219 40.760 40.800 -0.432 0.000 1.136 83 D HN 0.677 nan 8.370 nan 0.000 0.444 84 Q N -0.879 118.158 119.800 -1.273 0.000 2.578 84 Q HA 0.323 4.663 4.340 0.000 0.000 0.284 84 Q C -1.089 174.647 176.000 -0.440 0.000 0.960 84 Q CA -1.037 54.279 55.803 -0.813 0.000 0.809 84 Q CB 1.112 29.649 28.738 -0.334 0.000 1.462 84 Q HN -0.046 nan 8.270 nan 0.000 0.392 85 M N 1.804 121.393 119.600 -0.018 0.000 2.243 85 M HA 0.353 4.833 4.480 0.000 0.000 0.341 85 M C -0.521 175.649 176.300 -0.216 0.000 1.130 85 M CA -0.006 55.306 55.300 0.021 0.000 1.162 85 M CB -0.001 32.665 32.600 0.110 0.000 1.497 85 M HN 0.615 nan 8.290 nan 0.000 0.456 86 L N 4.708 125.780 121.223 -0.251 0.000 2.272 86 L HA 0.551 4.891 4.340 0.000 0.000 0.289 86 L C -0.441 176.420 176.870 -0.014 0.000 1.032 86 L CA -0.373 54.186 54.840 -0.467 0.000 0.810 86 L CB 0.654 42.480 42.059 -0.389 0.000 1.205 86 L HN 0.564 nan 8.230 nan 0.000 0.422 87 L N 1.286 122.647 121.223 0.231 0.000 2.279 87 L HA 0.570 4.910 4.340 0.000 0.000 0.262 87 L C 0.522 177.597 176.870 0.342 0.000 1.019 87 L CA -0.798 54.207 54.840 0.276 0.000 0.823 87 L CB 1.917 44.112 42.059 0.226 0.000 1.358 87 L HN 0.383 nan 8.230 nan 0.000 0.432 88 T N 0.254 114.956 114.554 0.246 0.000 2.903 88 T HA 0.094 4.444 4.350 0.000 0.000 0.314 88 T C 1.137 175.930 174.700 0.154 0.000 1.078 88 T CA 0.513 62.742 62.100 0.214 0.000 1.114 88 T CB 1.404 70.396 68.868 0.206 0.000 0.987 88 T HN 0.727 nan 8.240 nan 0.000 0.548 89 A N 2.640 125.527 122.820 0.112 0.000 1.908 89 A HA -0.068 4.252 4.320 0.000 0.000 0.218 89 A C 1.028 178.649 177.584 0.062 0.000 1.181 89 A CA 1.451 53.522 52.037 0.056 0.000 0.627 89 A CB -0.366 18.659 19.000 0.042 0.000 0.818 89 A HN 0.850 nan 8.150 nan 0.000 0.445 90 Q N -1.514 118.334 119.800 0.080 0.000 2.433 90 Q HA 0.491 4.831 4.340 0.000 0.000 0.279 90 Q C -1.215 174.831 176.000 0.076 0.000 1.105 90 Q CA -0.980 54.866 55.803 0.072 0.000 0.815 90 Q CB 0.783 29.562 28.738 0.069 0.000 1.403 90 Q HN 0.137 nan 8.270 nan 0.000 0.435 91 N N 1.624 120.362 118.700 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 -0.008 53.078 53.050 0.060 0.000 0.945 91 N CB 0.313 38.829 38.487 0.049 0.000 1.196 91 N HN 0.767 nan 8.380 nan 0.000 0.499 92 L N 4.477 125.731 121.223 0.053 0.000 2.043 92 L HA -0.126 4.214 4.340 0.000 0.000 0.212 92 L C -0.664 176.274 176.870 0.112 0.000 1.075 92 L CA 1.275 56.167 54.840 0.087 0.000 0.752 92 L CB -1.074 40.929 42.059 -0.094 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.129 nan 4.420 nan 0.000 0.228 93 P C 1.084 178.386 177.300 0.003 0.000 1.151 93 P CA 1.266 64.380 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 -1.298 121.525 122.820 0.005 0.000 2.119 94 A HA 0.008 4.328 4.320 0.000 0.000 0.216 94 A C 2.007 179.546 177.584 -0.076 0.000 1.152 94 A CA 1.524 53.547 52.037 -0.024 0.000 0.708 94 A CB -0.545 18.448 19.000 -0.011 0.000 0.805 94 A HN 0.139 nan 8.150 nan 0.000 0.460 95 S N -2.769 112.860 115.700 -0.117 0.000 2.631 95 S HA 0.337 4.808 4.470 0.000 0.000 0.246 95 S C -0.414 173.832 174.600 -0.589 0.000 1.068 95 S CA -0.240 57.739 58.200 -0.368 0.000 0.995 95 S CB 0.147 63.057 63.200 -0.484 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.048 121.335 120.300 -0.022 0.000 2.536 96 Y HA 0.523 5.073 4.550 0.000 0.000 0.347 96 Y C 0.716 176.589 175.900 -0.046 0.000 1.000 96 Y CA -1.075 57.019 58.100 -0.010 0.000 1.051 96 Y CB 1.045 39.503 38.460 -0.003 0.000 1.259 96 Y HN -0.147 nan 8.280 nan 0.000 0.468 97 N N -0.030 118.739 118.700 0.116 0.000 2.407 97 N HA 0.085 4.825 4.740 0.000 0.000 0.182 97 N C -1.157 174.151 175.510 -0.335 0.000 1.079 97 N CA 0.519 53.494 53.050 -0.125 0.000 0.882 97 N CB 0.448 38.856 38.487 -0.133 0.000 1.106 97 N HN 0.531 nan 8.380 nan 0.000 0.461 98 Y N -1.018 119.358 120.300 0.127 0.000 2.545 98 Y HA 0.548 5.098 4.550 0.000 0.000 0.348 98 Y C -0.158 175.870 175.900 0.214 0.000 1.002 98 Y CA -1.156 57.039 58.100 0.158 0.000 1.039 98 Y CB 2.208 40.772 38.460 0.173 0.000 1.271 98 Y HN -0.110 nan 8.280 nan 0.000 0.467 99 C N 2.452 121.963 119.300 0.352 0.000 3.239 99 C HA 0.847 5.307 4.460 0.000 0.000 0.329 99 C C -1.793 173.175 174.990 -0.037 0.000 1.252 99 C CA -0.717 58.383 59.018 0.136 0.000 1.323 99 C CB 1.817 29.548 27.740 -0.016 0.000 1.663 99 C HN 1.031 nan 8.230 nan 0.000 0.487 100 R N 2.678 123.137 120.500 -0.069 0.000 2.548 100 R HA 0.661 5.001 4.340 0.000 0.000 0.280 100 R C -1.741 174.612 176.300 0.089 0.000 1.061 100 R CA -0.648 55.374 56.100 -0.130 0.000 0.915 100 R CB 1.684 31.650 30.300 -0.556 0.000 1.210 100 R HN 0.818 nan 8.270 nan 0.000 0.442 101 L N 4.699 125.996 121.223 0.123 0.000 2.319 101 L HA 0.227 4.567 4.340 0.000 0.000 0.280 101 L C 0.149 177.040 176.870 0.035 0.000 1.099 101 L CA 0.387 55.255 54.840 0.048 0.000 0.828 101 L CB 1.607 43.707 42.059 0.068 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.550 122.443 119.914 -0.035 0.000 2.492 102 V HA 0.255 4.375 4.120 0.000 0.000 0.241 102 V C 0.566 176.719 176.094 0.099 0.000 1.041 102 V CA 1.133 63.498 62.300 0.108 0.000 1.057 102 V CB 0.033 31.913 31.823 0.095 0.000 0.711 102 V HN 0.941 nan 8.190 nan 0.000 0.468 103 S N -0.300 115.365 115.700 -0.059 0.000 2.597 103 S HA 0.717 5.187 4.470 0.000 0.000 0.274 103 S C -0.944 173.575 174.600 -0.135 0.000 1.132 103 S CA -0.915 57.240 58.200 -0.075 0.000 0.835 103 S CB 2.621 65.760 63.200 -0.101 0.000 1.092 103 S HN 0.487 nan 8.310 nan 0.000 0.457 104 R N 0.444 120.883 120.500 -0.102 0.000 2.579 104 R HA 0.668 5.008 4.340 0.000 0.000 0.260 104 R C -1.691 174.540 176.300 -0.116 0.000 1.103 104 R CA -0.000 56.032 56.100 -0.114 0.000 0.942 104 R CB 1.700 31.939 30.300 -0.101 0.000 1.251 104 R HN 1.306 nan 8.270 nan 0.000 0.450 105 S N 3.999 119.619 115.700 -0.134 0.000 2.549 105 S HA 0.778 5.248 4.470 0.000 0.000 0.280 105 S C -1.169 173.305 174.600 -0.210 0.000 1.109 105 S CA -0.798 57.286 58.200 -0.194 0.000 0.905 105 S CB 1.753 64.824 63.200 -0.215 0.000 1.081 105 S HN 0.434 nan 8.310 nan 0.000 0.477 106 L N 1.291 122.340 121.223 -0.290 0.000 2.409 106 L HA 0.696 5.036 4.340 0.000 0.000 0.262 106 L C -0.293 176.444 176.870 -0.223 0.000 0.992 106 L CA -0.457 54.211 54.840 -0.287 0.000 0.817 106 L CB 2.734 44.446 42.059 -0.579 0.000 1.350 106 L HN 0.768 nan 8.230 nan 0.000 0.411 107 T N 1.377 115.865 114.554 -0.110 0.000 2.829 107 T HA 0.713 5.063 4.350 0.000 0.000 0.280 107 T C -1.019 173.696 174.700 0.025 0.000 0.999 107 T CA -0.382 61.689 62.100 -0.048 0.000 0.983 107 T CB 1.719 70.568 68.868 -0.031 0.000 0.968 107 T HN 0.235 nan 8.240 nan 0.000 0.446 108 V N 5.476 125.419 119.914 0.048 0.000 2.488 108 V HA 0.676 4.796 4.120 0.000 0.000 0.293 108 V C -0.248 175.871 176.094 0.042 0.000 1.027 108 V CA -0.894 61.451 62.300 0.075 0.000 0.862 108 V CB 1.366 33.278 31.823 0.149 0.000 1.008 108 V HN 0.918 nan 8.190 nan 0.000 0.428 109 R N 2.235 122.740 120.500 0.009 0.000 2.734 109 R HA 0.705 5.045 4.340 0.000 0.000 0.271 109 R C -0.620 175.659 176.300 -0.035 0.000 1.021 109 R CA -0.576 55.523 56.100 -0.001 0.000 0.893 109 R CB 1.852 32.161 30.300 0.014 0.000 1.244 109 R HN 0.608 nan 8.270 nan 0.000 0.464 110 S N 0.127 115.807 115.700 -0.033 0.000 2.580 110 S HA 0.197 4.667 4.470 0.000 0.000 0.274 110 S C 0.588 175.172 174.600 -0.026 0.000 1.329 110 S CA 0.107 58.279 58.200 -0.046 0.000 1.036 110 S CB 1.396 64.575 63.200 -0.034 0.000 0.919 110 S HN 0.833 nan 8.310 nan 0.000 0.515 111 S N 1.485 117.167 115.700 -0.029 0.000 2.727 111 S HA 0.296 4.766 4.470 0.000 0.000 0.249 111 S C 0.300 174.892 174.600 -0.014 0.000 1.079 111 S CA -0.085 58.104 58.200 -0.017 0.000 0.912 111 S CB -0.045 63.144 63.200 -0.018 0.000 0.861 111 S HN 0.766 nan 8.310 nan 0.000 0.484 112 T N 2.907 117.450 114.554 -0.018 0.000 2.903 112 T HA 0.779 5.129 4.350 0.000 0.000 0.299 112 T C -1.563 173.129 174.700 -0.013 0.000 1.093 112 T CA -0.735 61.358 62.100 -0.013 0.000 1.002 112 T CB 1.898 70.759 68.868 -0.012 0.000 1.127 112 T HN 0.481 nan 8.240 nan 0.000 0.488 113 L N -0.120 121.099 121.223 -0.007 0.000 2.465 113 L HA 0.833 5.173 4.340 0.000 0.000 0.257 113 L C -2.232 174.638 176.870 -0.000 0.000 0.988 113 L CA -1.645 53.193 54.840 -0.004 0.000 0.827 113 L CB -0.384 41.674 42.059 -0.002 0.000 1.397 113 L HN 0.395 nan 8.230 nan 0.000 0.410 114 P HA 0.462 nan 4.420 nan 0.000 0.273 114 P C 0.355 177.657 177.300 0.003 0.000 1.324 114 P CA 0.832 63.934 63.100 0.003 0.000 0.728 114 P CB -0.381 31.322 31.700 0.005 0.000 1.614 120 L N 0.108 121.336 121.223 0.009 0.000 2.848 120 L HA 0.291 4.631 4.340 0.000 0.000 0.240 120 L C 0.493 177.372 176.870 0.014 0.000 1.232 120 L CA 0.119 54.965 54.840 0.011 0.000 1.031 120 L CB -0.377 41.688 42.059 0.011 0.000 1.338 120 L HN 0.564 nan 8.230 nan 0.000 0.509 121 N N -0.073 118.635 118.700 0.014 0.000 2.592 121 N HA 0.818 5.558 4.740 0.000 0.000 0.292 121 N C -0.268 175.256 175.510 0.024 0.000 1.260 121 N CA -0.468 52.591 53.050 0.015 0.000 0.910 121 N CB 1.807 40.298 38.487 0.006 0.000 1.257 121 N HN 0.031 nan 8.380 nan 0.000 0.569 122 G N 0.085 108.902 108.800 0.028 0.000 3.088 122 G HA2 0.178 4.138 3.960 0.000 0.000 0.620 122 G HA3 0.178 4.138 3.960 0.000 0.000 0.620 122 G C -0.963 173.983 174.900 0.077 0.000 1.375 122 G CA -0.751 44.380 45.100 0.051 0.000 1.016 122 G HN 0.636 nan 8.290 nan 0.000 0.590 123 T N -0.705 113.915 114.554 0.111 0.000 2.896 123 T HA 0.826 5.176 4.350 0.000 0.000 0.297 123 T C -0.279 174.616 174.700 0.326 0.000 1.108 123 T CA -0.944 61.268 62.100 0.186 0.000 1.004 123 T CB 2.350 71.341 68.868 0.204 0.000 1.159 123 T HN 0.840 nan 8.240 nan 0.000 0.499 124 I N 1.961 122.715 120.570 0.306 0.000 2.433 124 I HA 0.442 4.612 4.170 0.000 0.000 0.292 124 I C -0.709 175.507 176.117 0.164 0.000 1.001 124 I CA -0.974 60.514 61.300 0.312 0.000 1.119 124 I CB 1.894 40.019 38.000 0.208 0.000 1.289 124 I HN 0.547 nan 8.210 nan 0.000 0.438 125 N N 4.370 123.033 118.700 -0.062 0.000 2.405 125 N HA 0.803 5.543 4.740 0.000 0.000 0.299 125 N C -1.026 174.401 175.510 -0.140 0.000 1.075 125 N CA -0.438 52.438 53.050 -0.290 0.000 0.884 125 N CB 2.192 40.188 38.487 -0.818 0.000 1.194 125 N HN 0.708 nan 8.380 nan 0.000 0.491 126 A N 0.727 123.495 122.820 -0.087 0.000 2.515 126 A HA 0.785 5.105 4.320 0.000 0.000 0.298 126 A C -1.153 176.406 177.584 -0.042 0.000 1.059 126 A CA -0.593 51.425 52.037 -0.032 0.000 0.698 126 A CB 1.008 20.025 19.000 0.028 0.000 1.289 126 A HN 0.378 nan 8.150 nan 0.000 0.404 127 V N -1.096 118.806 119.914 -0.020 0.000 3.049 127 V HA 0.807 4.927 4.120 0.000 0.000 0.309 127 V C -0.306 175.808 176.094 0.033 0.000 1.148 127 V CA -0.725 61.572 62.300 -0.005 0.000 0.990 127 V CB 1.612 33.438 31.823 0.004 0.000 1.039 127 V HN 0.809 nan 8.190 nan 0.000 0.430 128 T N 3.753 118.328 114.554 0.035 0.000 2.758 128 T HA 0.607 4.957 4.350 0.000 0.000 0.285 128 T C -0.941 173.829 174.700 0.115 0.000 0.981 128 T CA 0.081 62.218 62.100 0.062 0.000 0.965 128 T CB 0.766 69.642 68.868 0.013 0.000 0.927 128 T HN 0.661 nan 8.240 nan 0.000 0.448 129 F N 2.745 122.685 119.950 -0.018 0.000 2.436 129 F HA 0.345 4.872 4.527 0.000 0.000 0.340 129 F C 0.816 176.617 175.800 0.002 0.000 1.113 129 F CA -0.947 57.045 58.000 -0.012 0.000 1.022 129 F CB 1.463 40.455 39.000 -0.012 0.000 1.128 129 F HN 0.462 nan 8.300 nan 0.000 0.466 130 Q N 4.625 124.040 119.800 -0.642 0.000 2.404 130 Q HA 0.314 4.654 4.340 0.000 0.000 0.272 130 Q C 0.036 175.613 176.000 -0.705 0.000 0.939 130 Q CA -0.129 55.364 55.803 -0.516 0.000 0.945 130 Q CB 0.017 28.549 28.738 -0.343 0.000 1.195 130 Q HN 0.889 nan 8.270 nan 0.000 0.415 131 G N -0.625 107.646 108.800 -0.880 0.000 2.645 131 G HA2 0.382 4.342 3.960 0.000 0.000 0.292 131 G HA3 0.382 4.342 3.960 0.000 0.000 0.292 131 G C -0.898 174.093 174.900 0.151 0.000 1.415 131 G CA -0.647 44.209 45.100 -0.406 0.000 0.785 131 G HN 0.208 nan 8.290 nan 0.000 0.483 132 S N -0.623 115.244 115.700 0.279 0.000 2.669 132 S HA 0.373 4.843 4.470 0.000 0.000 0.270 132 S C 1.431 176.247 174.600 0.359 0.000 1.225 132 S CA -0.428 57.960 58.200 0.313 0.000 0.991 132 S CB 1.495 64.839 63.200 0.241 0.000 0.987 132 S HN 0.899 nan 8.310 nan 0.000 0.552 133 L N 1.743 123.128 121.223 0.270 0.000 2.021 133 L HA -0.147 4.193 4.340 0.000 0.000 0.215 133 L C 2.541 179.474 176.870 0.104 0.000 1.074 133 L CA 2.702 57.621 54.840 0.131 0.000 0.760 133 L CB -1.489 40.623 42.059 0.089 0.000 0.889 133 L HN 0.990 nan 8.230 nan 0.000 0.433 134 S N -1.937 113.853 115.700 0.150 0.000 2.507 134 S HA -0.114 4.356 4.470 0.000 0.000 0.235 134 S C 1.602 176.263 174.600 0.102 0.000 0.988 134 S CA 0.937 59.211 58.200 0.123 0.000 0.944 134 S CB -0.607 62.652 63.200 0.098 0.000 0.762 134 S HN 0.677 nan 8.310 nan 0.000 0.526 135 E N 0.445 120.742 120.200 0.161 0.000 2.371 135 E HA 0.212 4.562 4.350 0.000 0.000 0.194 135 E C -0.156 176.473 176.600 0.049 0.000 1.012 135 E CA -0.145 56.378 56.400 0.204 0.000 0.860 135 E CB -0.090 29.846 29.700 0.395 0.000 0.811 135 E HN 0.522 nan 8.360 nan 0.000 0.502 136 L N 1.986 123.048 121.223 -0.267 0.000 2.513 136 L HA -0.043 4.297 4.340 0.000 0.000 0.272 136 L C 1.774 178.518 176.870 -0.211 0.000 1.187 136 L CA 0.128 54.639 54.840 -0.548 0.000 0.895 136 L CB 0.727 42.429 42.059 -0.595 0.000 1.147 136 L HN 0.170 nan 8.230 nan 0.000 0.483 137 T N -1.877 112.579 114.554 -0.163 0.000 2.985 137 T HA -0.023 4.327 4.350 0.000 0.000 0.266 137 T C 0.433 175.092 174.700 -0.069 0.000 1.076 137 T CA 0.321 62.378 62.100 -0.072 0.000 1.135 137 T CB 0.122 68.971 68.868 -0.033 0.000 0.890 137 T HN 0.511 nan 8.240 nan 0.000 0.480 138 D N 0.785 121.128 120.400 -0.095 0.000 2.736 138 D HA 0.312 4.952 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 -0.689 53.276 54.000 -0.058 0.000 0.934 138 D CB 2.240 43.016 40.800 -0.041 0.000 1.382 138 D HN 0.098 nan 8.370 nan 0.000 0.571 139 V N 1.402 121.312 119.914 -0.006 0.000 3.276 139 V HA 0.300 4.420 4.120 0.000 0.000 0.319 139 V C 0.767 176.933 176.094 0.120 0.000 1.427 139 V CA -0.040 62.273 62.300 0.023 0.000 1.102 139 V CB -0.485 31.384 31.823 0.078 0.000 1.020 139 V HN 0.452 nan 8.190 nan 0.000 0.456 140 S N -0.693 115.071 115.700 0.107 0.000 2.579 140 S HA 0.247 4.717 4.470 0.000 0.000 0.275 140 S C 0.867 175.545 174.600 0.129 0.000 1.345 140 S CA 0.248 58.533 58.200 0.142 0.000 1.031 140 S CB 0.620 63.869 63.200 0.082 0.000 0.892 140 S HN 0.475 nan 8.310 nan 0.000 0.529 141 Y N 2.794 123.120 120.300 0.043 0.000 2.062 141 Y HA -0.324 4.226 4.550 0.000 0.000 0.276 141 Y C 2.102 178.010 175.900 0.014 0.000 1.189 141 Y CA 2.729 60.843 58.100 0.023 0.000 1.130 141 Y CB -0.527 37.936 38.460 0.006 0.000 0.959 141 Y HN 0.724 nan 8.280 nan 0.000 0.499 142 N N -0.234 118.554 118.700 0.146 0.000 2.216 142 N HA -0.083 4.657 4.740 0.000 0.000 0.183 142 N C 2.027 177.523 175.510 -0.023 0.000 1.017 142 N CA 1.295 54.375 53.050 0.049 0.000 0.861 142 N CB -0.993 37.557 38.487 0.106 0.000 0.986 142 N HN 0.548 nan 8.380 nan 0.000 0.428 143 G N 1.708 110.504 108.800 -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 1.663 176.532 174.900 -0.052 0.000 1.140 143 G CA 0.158 45.245 45.100 -0.022 0.000 0.775 143 G HN 0.199 nan 8.290 nan 0.000 0.545 144 L N 0.143 121.320 121.223 -0.077 0.000 2.064 144 L HA -0.198 4.142 4.340 0.000 0.000 0.216 144 L C 2.934 179.756 176.870 -0.081 0.000 1.077 144 L CA 1.164 55.946 54.840 -0.098 0.000 0.766 144 L CB -0.442 41.535 42.059 -0.137 0.000 0.890 144 L HN 0.214 nan 8.230 nan 0.000 0.435 145 M N -0.610 118.937 119.600 -0.089 0.000 2.530 145 M HA -0.114 4.366 4.480 0.000 0.000 0.261 145 M C 1.724 178.001 176.300 -0.038 0.000 1.067 145 M CA 1.283 56.541 55.300 -0.070 0.000 1.071 145 M CB -0.957 31.599 32.600 -0.074 0.000 1.405 145 M HN 0.296 nan 8.290 nan 0.000 0.478 146 S N -1.137 114.546 115.700 -0.028 0.000 2.593 146 S HA 0.414 4.884 4.470 0.000 0.000 0.236 146 S C 1.644 176.255 174.600 0.018 0.000 0.991 146 S CA 0.182 58.378 58.200 -0.007 0.000 0.963 146 S CB 0.026 63.222 63.200 -0.007 0.000 0.865 146 S HN 0.395 nan 8.310 nan 0.000 0.488 147 A N 1.923 124.757 122.820 0.024 0.000 2.015 147 A HA 0.168 4.488 4.320 0.000 0.000 0.219 147 A C 1.213 178.917 177.584 0.199 0.000 1.163 147 A CA 1.012 53.110 52.037 0.103 0.000 0.646 147 A CB -0.426 18.607 19.000 0.055 0.000 0.806 147 A HN 0.509 nan 8.150 nan 0.000 0.448 148 T N -3.710 110.903 114.554 0.099 0.000 2.906 148 T HA 0.628 4.978 4.350 0.000 0.000 0.295 148 T C 0.664 175.373 174.700 0.015 0.000 1.075 148 T CA -0.137 61.996 62.100 0.055 0.000 1.005 148 T CB 1.878 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 0.758 123.578 122.820 -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 -0.055 51.973 52.037 -0.015 0.000 0.753 149 A CB -0.727 18.265 19.000 -0.015 0.000 0.826 149 A HN 0.846 nan 8.150 nan 0.000 0.469 150 N N 0.468 119.145 118.700 -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 -0.059 0.000 0.943 150 N CB 0.880 39.327 38.487 -0.067 0.000 1.115 150 N HN 0.254 nan 8.380 nan 0.000 0.481 151 I N 2.825 123.347 120.570 -0.080 0.000 2.454 151 I HA -0.210 3.960 4.170 0.000 0.000 0.254 151 I C 1.063 177.098 176.117 -0.136 0.000 1.156 151 I CA 1.371 62.615 61.300 -0.093 0.000 1.433 151 I CB -0.089 37.860 38.000 -0.084 0.000 1.082 151 I HN 0.546 nan 8.210 nan 0.000 0.432 152 N N 0.471 119.074 118.700 -0.161 0.000 2.314 152 N HA 0.011 4.751 4.740 0.000 0.000 0.200 152 N C 0.191 175.561 175.510 -0.233 0.000 1.135 152 N CA 0.382 53.287 53.050 -0.241 0.000 0.835 152 N CB 0.042 38.372 38.487 -0.261 0.000 0.989 152 N HN 0.414 nan 8.380 nan 0.000 0.478 153 D N 0.318 120.624 120.400 -0.156 0.000 2.479 153 D HA 0.077 4.717 4.640 0.000 0.000 0.218 153 D C 0.087 176.333 176.300 -0.089 0.000 1.177 153 D CA 0.207 54.137 54.000 -0.118 0.000 0.830 153 D CB 0.884 41.637 40.800 -0.078 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.062 120.274 120.400 -0.107 0.000 2.502 154 K HA 0.661 4.981 4.320 0.000 0.000 0.257 154 K C -1.429 175.113 176.600 -0.098 0.000 0.938 154 K CA -0.892 55.344 56.287 -0.084 0.000 0.819 154 K CB 2.665 35.125 32.500 -0.066 0.000 1.333 154 K HN -0.178 nan 8.250 nan 0.000 0.434 155 I N 0.675 121.199 120.570 -0.077 0.000 2.656 155 I HA 0.530 4.700 4.170 0.000 0.000 0.292 155 I C -1.214 174.873 176.117 -0.049 0.000 1.144 155 I CA -0.095 61.169 61.300 -0.061 0.000 1.038 155 I CB 2.465 40.438 38.000 -0.045 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.210 112.990 108.800 -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 -0.520 174.396 174.900 0.026 0.000 1.298 156 G CA -0.464 44.620 45.100 -0.028 0.000 0.948 156 G HN 0.677 nan 8.290 nan 0.000 0.486 157 N N -0.202 118.540 118.700 0.070 0.000 2.738 157 N HA -0.167 4.573 4.740 0.000 0.000 0.249 157 N C 0.317 175.893 175.510 0.109 0.000 1.047 157 N CA 0.661 53.795 53.050 0.140 0.000 0.707 157 N CB -1.055 37.508 38.487 0.127 0.000 0.937 157 N HN 0.416 nan 8.380 nan 0.000 0.545 158 V N 1.148 121.126 119.914 0.106 0.000 2.555 158 V HA 0.106 4.226 4.120 0.000 0.000 0.286 158 V C 1.459 177.617 176.094 0.108 0.000 1.044 158 V CA -0.514 61.844 62.300 0.097 0.000 1.026 158 V CB 0.996 32.876 31.823 0.095 0.000 0.981 158 V HN 0.174 nan 8.190 nan 0.000 0.480 159 L N 4.757 126.032 121.223 0.087 0.000 2.490 159 L HA 0.056 4.396 4.340 0.000 0.000 0.274 159 L C 1.462 178.378 176.870 0.077 0.000 1.201 159 L CA -0.031 54.856 54.840 0.077 0.000 0.869 159 L CB 0.591 42.685 42.059 0.059 0.000 1.123 159 L HN 0.500 nan 8.230 nan 0.000 0.484 160 V N 3.414 123.372 119.914 0.074 0.000 2.490 160 V HA -0.192 3.928 4.120 0.000 0.000 0.250 160 V C 2.264 178.379 176.094 0.036 0.000 1.061 160 V CA 2.156 64.491 62.300 0.059 0.000 1.064 160 V CB -0.707 31.144 31.823 0.046 0.000 0.670 160 V HN 1.115 nan 8.190 nan 0.000 0.461 161 G N -0.694 108.126 108.800 0.033 0.000 2.422 161 G HA2 -0.281 3.679 3.960 0.000 0.000 0.218 161 G HA3 -0.281 3.679 3.960 0.000 0.000 0.218 161 G C 1.554 176.473 174.900 0.032 0.000 1.146 161 G CA 0.966 46.081 45.100 0.025 0.000 0.769 161 G HN 0.574 nan 8.290 nan 0.000 0.547 162 E N 0.109 120.335 120.200 0.043 0.000 2.051 162 E HA 0.271 4.621 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 0.792 57.223 56.400 0.051 0.000 0.803 162 E CB -0.115 29.621 29.700 0.060 0.000 0.761 162 E HN 0.472 nan 8.360 nan 0.000 0.451 163 G N -0.081 108.756 108.800 0.063 0.000 2.710 163 G HA2 -0.189 3.771 3.960 0.000 0.000 0.668 163 G HA3 -0.189 3.771 3.960 0.000 0.000 0.668 163 G C -0.955 173.994 174.900 0.081 0.000 1.320 163 G CA -0.312 44.827 45.100 0.065 0.000 0.860 163 G HN 0.288 nan 8.290 nan 0.000 0.538 164 V N 0.215 120.177 119.914 0.080 0.000 2.769 164 V HA 0.826 4.946 4.120 0.000 0.000 0.312 164 V C 0.336 176.457 176.094 0.046 0.000 1.061 164 V CA -0.100 62.254 62.300 0.090 0.000 0.931 164 V CB 2.367 34.253 31.823 0.105 0.000 1.010 164 V HN 1.169 nan 8.190 nan 0.000 0.433 165 T N 3.652 118.228 114.554 0.037 0.000 2.792 165 T HA 0.528 4.878 4.350 0.000 0.000 0.280 165 T C -0.590 174.076 174.700 -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 70.088 68.868 -0.409 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.715 124.538 119.914 -0.153 0.000 2.370 166 V HA 0.489 4.609 4.120 0.000 0.000 0.279 166 V C -0.372 175.617 176.094 -0.176 0.000 1.029 166 V CA -0.750 61.470 62.300 -0.133 0.000 0.870 166 V CB 1.245 32.906 31.823 -0.270 0.000 0.984 166 V HN 0.650 nan 8.190 nan 0.000 0.451 167 L N 4.899 126.092 121.223 -0.049 0.000 2.333 167 L HA 0.593 4.933 4.340 0.000 0.000 0.280 167 L C 0.222 177.084 176.870 -0.015 0.000 1.004 167 L CA 0.240 55.054 54.840 -0.045 0.000 0.820 167 L CB 2.045 44.164 42.059 0.100 0.000 1.247 167 L HN 0.633 nan 8.230 nan 0.000 0.416 168 S N 5.978 121.655 115.700 -0.038 0.000 2.448 168 S HA 0.540 5.010 4.470 0.000 0.000 0.279 168 S C -0.413 174.187 174.600 0.001 0.000 1.195 168 S CA -0.523 57.667 58.200 -0.017 0.000 1.051 168 S CB -0.293 62.895 63.200 -0.019 0.000 0.948 168 S HN 0.605 nan 8.310 nan 0.000 0.493 169 L N 6.473 127.694 121.223 -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 -0.007 0.000 0.812 169 L CB 1.501 43.550 42.059 -0.016 0.000 1.257 169 L HN 0.527 nan 8.230 nan 0.000 0.435 170 P HA 0.089 nan 4.420 nan 0.000 0.271 170 P C -0.581 176.574 177.300 -0.241 0.000 1.218 170 P CA -0.208 62.752 63.100 -0.234 0.000 0.780 170 P CB 0.683 32.048 31.700 -0.559 0.000 0.901 171 T N -2.135 112.267 114.554 -0.253 0.000 3.331 171 T HA 0.492 4.842 4.350 0.000 0.000 0.381 171 T C -0.269 174.266 174.700 -0.276 0.000 1.656 171 T CA -0.682 61.288 62.100 -0.217 0.000 1.453 171 T CB -0.784 67.997 68.868 -0.146 0.000 1.066 171 T HN 0.626 nan 8.240 nan 0.000 0.655 172 S N 1.318 116.813 115.700 -0.342 0.000 2.912 172 S HA -0.103 4.367 4.470 0.000 0.000 0.857 172 S C -0.771 173.573 174.600 -0.427 0.000 0.919 172 S CA -0.678 57.335 58.200 -0.311 0.000 1.424 172 S CB -1.032 62.036 63.200 -0.220 0.000 1.019 172 S HN 0.718 nan 8.310 nan 0.000 0.231 173 Y N 2.113 122.380 120.300 -0.055 0.000 2.645 173 Y HA 0.460 5.010 4.550 0.000 0.000 0.341 173 Y C 1.332 177.194 175.900 -0.063 0.000 1.234 173 Y CA -0.249 57.815 58.100 -0.059 0.000 1.352 173 Y CB 0.424 38.850 38.460 -0.056 0.000 1.556 173 Y HN 0.771 nan 8.280 nan 0.000 0.607 174 D N 0.747 121.240 120.400 0.156 0.000 2.737 174 D HA -0.187 4.454 4.640 0.000 0.000 0.233 174 D C -1.055 175.271 176.300 0.045 0.000 1.155 174 D CA 0.759 54.801 54.000 0.070 0.000 0.667 174 D CB -1.112 39.719 40.800 0.052 0.000 1.060 174 D HN 0.267 nan 8.370 nan 0.000 0.427 175 L N -0.123 121.122 121.223 0.037 0.000 2.417 175 L HA 0.403 4.743 4.340 0.000 0.000 0.268 175 L C 1.828 178.778 176.870 0.132 0.000 1.158 175 L CA -0.134 54.716 54.840 0.017 0.000 0.819 175 L CB 0.837 42.849 42.059 -0.078 0.000 1.112 175 L HN 0.033 nan 8.230 nan 0.000 0.458 176 G N 0.544 109.489 108.800 0.243 0.000 2.606 176 G HA2 0.174 4.134 3.960 0.000 0.000 0.252 176 G HA3 0.174 4.134 3.960 0.000 0.000 0.252 176 G C -0.876 174.183 174.900 0.265 0.000 1.206 176 G CA -0.337 44.923 45.100 0.268 0.000 0.861 176 G HN 0.341 nan 8.290 nan 0.000 0.561 177 Y N -0.504 119.862 120.300 0.110 0.000 2.511 177 Y HA 0.234 4.784 4.550 0.000 0.000 0.332 177 Y C 0.890 176.848 175.900 0.097 0.000 1.177 177 Y CA 0.215 58.378 58.100 0.105 0.000 1.422 177 Y CB 1.049 39.548 38.460 0.065 0.000 1.271 177 Y HN 0.149 nan 8.280 nan 0.000 0.550 178 V N 5.338 125.292 119.914 0.067 0.000 2.427 178 V HA 0.315 4.435 4.120 0.000 0.000 0.286 178 V C 0.133 176.229 176.094 0.004 0.000 1.034 178 V CA -1.206 61.005 62.300 -0.148 0.000 0.893 178 V CB 1.373 32.875 31.823 -0.537 0.000 0.982 178 V HN 0.635 nan 8.190 nan 0.000 0.452 179 R N 3.839 124.300 120.500 -0.066 0.000 2.401 179 R HA 0.361 4.701 4.340 0.000 0.000 0.299 179 R C -0.430 175.737 176.300 -0.222 0.000 1.064 179 R CA -0.312 55.598 56.100 -0.316 0.000 1.000 179 R CB 0.289 30.369 30.300 -0.367 0.000 0.973 179 R HN 0.622 nan 8.270 nan 0.000 0.438 180 L N 2.141 123.236 121.223 -0.213 0.000 2.479 180 L HA 0.239 4.579 4.340 0.000 0.000 0.248 180 L C 1.496 178.309 176.870 -0.094 0.000 1.205 180 L CA -0.101 54.671 54.840 -0.113 0.000 0.817 180 L CB 0.551 42.569 42.059 -0.068 0.000 1.162 180 L HN 0.802 nan 8.230 nan 0.000 0.486 181 G N 0.213 108.993 108.800 -0.033 0.000 3.455 181 G HA2 0.040 4.000 3.960 0.000 0.000 0.250 181 G HA3 0.040 4.000 3.960 0.000 0.000 0.250 181 G C -0.058 174.820 174.900 -0.036 0.000 1.071 181 G CA -0.405 44.678 45.100 -0.027 0.000 1.812 181 G HN 0.708 nan 8.290 nan 0.000 0.643 182 D N 1.126 121.486 120.400 -0.067 0.000 2.382 182 D HA 0.135 4.775 4.640 0.000 0.000 0.245 182 D C -2.473 173.798 176.300 -0.049 0.000 1.120 182 D CA -1.553 52.412 54.000 -0.058 0.000 0.890 182 D CB 1.877 42.628 40.800 -0.082 0.000 1.201 182 D HN 0.071 nan 8.370 nan 0.000 0.433 183 P HA 0.153 nan 4.420 nan 0.000 0.268 183 P C -0.447 176.834 177.300 -0.033 0.000 1.205 183 P CA -0.411 62.672 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 5.056 125.609 120.570 -0.028 0.000 2.562 184 I HA 0.406 4.576 4.170 0.000 0.000 0.301 184 I C -2.233 173.873 176.117 -0.019 0.000 1.003 184 I CA -3.102 58.182 61.300 -0.027 0.000 1.127 184 I CB 1.245 39.228 38.000 -0.028 0.000 1.304 184 I HN 0.209 nan 8.210 nan 0.000 0.446 185 P HA 0.437 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 0.480 32.173 31.700 -0.012 0.000 0.816 186 A N 3.450 126.264 122.820 -0.010 0.000 2.566 186 A HA 0.692 5.012 4.320 0.000 0.000 0.297 186 A C -0.797 176.783 177.584 -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 19.969 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.539 120.028 120.570 -0.006 0.000 2.603 187 I HA 1.008 5.178 4.170 0.000 0.000 0.300 187 I C 0.118 176.233 176.117 -0.004 0.000 1.017 187 I CA -0.870 60.427 61.300 -0.005 0.000 1.098 187 I CB 2.440 40.438 38.000 -0.004 0.000 1.279 187 I HN 0.975 nan 8.210 nan 0.000 0.437 188 G N 3.795 112.593 108.800 -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 -0.204 174.695 174.900 -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 -0.353 120.869 121.223 -0.002 0.000 2.201 189 L HA 0.055 4.395 4.340 0.000 0.000 0.212 189 L C 0.825 177.694 176.870 -0.001 0.000 1.105 189 L CA 0.698 55.537 54.840 -0.002 0.000 0.775 189 L CB 0.082 42.140 42.059 -0.002 0.000 0.913 189 L HN 0.380 nan 8.230 nan 0.000 0.440 190 D N -0.300 120.099 120.400 -0.001 0.000 2.295 190 D HA 0.116 4.756 4.640 0.000 0.000 0.248 190 D C -1.531 174.769 176.300 -0.000 0.000 1.154 190 D CA -2.013 51.986 54.000 -0.001 0.000 0.857 190 D CB 1.757 42.556 40.800 -0.001 0.000 1.117 190 D HN -0.171 nan 8.370 nan 0.000 0.468 191 P HA -0.145 nan 4.420 nan 0.000 0.216 191 P C 0.481 177.782 177.300 0.002 0.000 1.154 191 P CA 1.348 64.449 63.100 0.001 0.000 0.865 191 P CB 0.264 31.965 31.700 0.002 0.000 0.789 192 K N -1.403 118.999 120.400 0.002 0.000 2.504 192 K HA 0.125 4.445 4.320 0.000 0.000 0.199 192 K C 0.757 177.359 176.600 0.003 0.000 1.028 192 K CA -0.245 56.044 56.287 0.004 0.000 1.164 192 K CB -0.298 32.205 32.500 0.004 0.000 0.877 192 K HN 0.195 nan 8.250 nan 0.000 0.508 193 M N 1.949 121.550 119.600 0.001 0.000 2.219 193 M HA 0.085 4.565 4.480 0.000 0.000 0.353 193 M C -1.062 175.237 176.300 -0.000 0.000 1.304 193 M CA 0.343 55.643 55.300 -0.000 0.000 1.115 193 M CB 0.698 33.297 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.647 124.560 119.914 -0.001 0.000 2.623 194 V HA 0.729 4.849 4.120 0.000 0.000 0.304 194 V C -0.697 175.395 176.094 -0.005 0.000 1.054 194 V CA -0.835 61.465 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 3.431 126.246 122.820 -0.009 0.000 2.357 195 A HA 0.914 5.234 4.320 0.000 0.000 0.295 195 A C -0.128 177.445 177.584 -0.020 0.000 1.121 195 A CA -0.281 51.748 52.037 -0.014 0.000 0.742 195 A CB 1.507 20.499 19.000 -0.014 0.000 1.181 195 A HN 0.947 nan 8.150 nan 0.000 0.454 196 T N -1.921 112.618 114.554 -0.025 0.000 2.907 196 T HA 0.610 4.960 4.350 0.000 0.000 0.290 196 T C -0.649 174.021 174.700 -0.050 0.000 1.066 196 T CA -0.792 61.287 62.100 -0.035 0.000 1.012 196 T CB 1.463 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 2.300 121.561 119.300 -0.067 0.000 2.293 197 C HA 0.647 5.107 4.460 0.000 0.000 0.323 197 C C -0.856 174.074 174.990 -0.100 0.000 1.240 197 C CA -0.474 58.493 59.018 -0.085 0.000 1.497 197 C CB -1.031 26.652 27.740 -0.095 0.000 2.171 197 C HN 0.883 nan 8.230 nan 0.000 0.465 198 D N 2.918 123.259 120.400 -0.097 0.000 2.277 198 D HA 0.309 4.949 4.640 0.000 0.000 0.250 198 D C -0.059 176.193 176.300 -0.080 0.000 1.032 198 D CA -0.001 53.951 54.000 -0.080 0.000 0.947 198 D CB 1.573 42.332 40.800 -0.070 0.000 1.159 198 D HN 0.551 nan 8.370 nan 0.000 0.460 199 S N 0.047 115.708 115.700 -0.064 0.000 2.629 199 S HA 0.118 4.588 4.470 0.000 0.000 0.302 199 S C 1.063 175.659 174.600 -0.006 0.000 1.244 199 S CA -0.112 58.044 58.200 -0.073 0.000 1.098 199 S CB 0.137 63.273 63.200 -0.106 0.000 0.858 199 S HN 0.522 nan 8.310 nan 0.000 0.502 200 S N 1.250 116.949 115.700 -0.002 0.000 3.019 200 S HA 0.120 4.590 4.470 0.000 0.000 0.258 200 S C -0.365 174.280 174.600 0.074 0.000 1.082 200 S CA -0.535 57.695 58.200 0.049 0.000 0.836 200 S CB -0.445 62.752 63.200 -0.005 0.000 0.834 200 S HN 0.572 nan 8.310 nan 0.000 0.457 201 D N 3.448 123.885 120.400 0.061 0.000 2.525 201 D HA 0.244 4.884 4.640 0.000 0.000 0.235 201 D C 0.113 176.484 176.300 0.119 0.000 1.137 201 D CA 0.617 54.672 54.000 0.092 0.000 0.868 201 D CB -0.054 40.815 40.800 0.115 0.000 1.180 201 D HN 0.174 nan 8.370 nan 0.000 0.465 202 R N -0.418 120.145 120.500 0.105 0.000 3.125 202 R HA -0.101 4.239 4.340 0.000 0.000 0.258 202 R C -2.485 173.860 176.300 0.074 0.000 0.968 202 R CA -0.033 56.123 56.100 0.093 0.000 0.656 202 R CB -1.844 28.543 30.300 0.145 0.000 1.251 202 R HN 0.452 nan 8.270 nan 0.000 0.428 203 P HA 0.088 nan 4.420 nan 0.000 0.272 203 P C -0.278 177.008 177.300 -0.023 0.000 1.230 203 P CA -0.125 62.997 63.100 0.035 0.000 0.788 203 P CB 0.742 32.471 31.700 0.049 0.000 0.949 204 R N 1.173 121.634 120.500 -0.065 0.000 2.407 204 R HA 0.524 4.864 4.340 0.000 0.000 0.303 204 R C -1.374 174.800 176.300 -0.210 0.000 0.981 204 R CA -0.738 55.266 56.100 -0.162 0.000 0.905 204 R CB 0.907 31.093 30.300 -0.189 0.000 1.099 204 R HN 0.260 nan 8.270 nan 0.000 0.459 205 V N 5.445 125.198 119.914 -0.268 0.000 2.487 205 V HA 0.364 4.484 4.120 0.000 0.000 0.298 205 V C -1.213 174.706 176.094 -0.292 0.000 1.028 205 V CA -0.703 61.477 62.300 -0.200 0.000 0.860 205 V CB 1.472 33.235 31.823 -0.100 0.000 0.991 205 V HN 0.690 nan 8.190 nan 0.000 0.427 206 Y N 1.820 122.099 120.300 -0.035 0.000 2.342 206 Y HA 0.602 5.152 4.550 0.000 0.000 0.334 206 Y C 0.757 176.619 175.900 -0.064 0.000 1.067 206 Y CA -0.516 57.560 58.100 -0.040 0.000 1.128 206 Y CB 2.044 40.486 38.460 -0.029 0.000 1.200 206 Y HN 0.496 nan 8.280 nan 0.000 0.464 207 T N 5.155 119.754 114.554 0.075 0.000 2.786 207 T HA 0.579 4.929 4.350 0.000 0.000 0.283 207 T C -0.584 174.069 174.700 -0.077 0.000 0.992 207 T CA -0.521 61.567 62.100 -0.020 0.000 0.954 207 T CB 0.328 69.175 68.868 -0.036 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.874 123.337 120.570 -0.178 0.000 2.411 208 I HA 0.247 4.417 4.170 0.000 0.000 0.284 208 I C 0.239 176.145 176.117 -0.352 0.000 1.012 208 I CA -0.638 60.463 61.300 -0.332 0.000 1.119 208 I CB 1.732 39.374 38.000 -0.596 0.000 1.261 208 I HN 0.477 nan 8.210 nan 0.000 0.448 209 T N 5.768 120.164 114.554 -0.263 0.000 2.863 209 T HA 0.210 4.560 4.350 0.000 0.000 0.299 209 T C 1.203 175.749 174.700 -0.255 0.000 0.973 209 T CA -0.235 61.738 62.100 -0.211 0.000 0.994 209 T CB 1.088 69.882 68.868 -0.123 0.000 0.961 209 T HN 0.752 nan 8.240 nan 0.000 0.552 210 A N 2.927 125.562 122.820 -0.308 0.000 2.014 210 A HA 0.565 4.885 4.320 0.000 0.000 0.218 210 A C 1.211 178.760 177.584 -0.058 0.000 1.163 210 A CA 0.581 52.465 52.037 -0.254 0.000 0.652 210 A CB 0.110 19.033 19.000 -0.129 0.000 0.808 210 A HN 0.891 nan 8.150 nan 0.000 0.449 211 A N -0.850 121.945 122.820 -0.043 0.000 2.540 211 A HA 0.542 4.862 4.320 0.000 0.000 0.297 211 A C -2.003 175.599 177.584 0.029 0.000 1.056 211 A CA -0.352 51.711 52.037 0.044 0.000 0.700 211 A CB 1.040 20.109 19.000 0.115 0.000 1.280 211 A HN 0.025 nan 8.150 nan 0.000 0.398 212 D N 2.171 122.614 120.400 0.072 0.000 2.375 212 D HA 0.430 5.070 4.640 0.000 0.000 0.259 212 D C -0.782 175.570 176.300 0.086 0.000 1.235 212 D CA 0.254 54.284 54.000 0.051 0.000 0.924 212 D CB 0.463 41.280 40.800 0.028 0.000 1.143 212 D HN 0.472 nan 8.370 nan 0.000 0.529 213 D N 2.073 122.523 120.400 0.083 0.000 2.686 213 D HA -0.297 4.343 4.640 0.000 0.000 0.235 213 D C -0.495 175.886 176.300 0.136 0.000 1.160 213 D CA 0.577 54.633 54.000 0.093 0.000 0.645 213 D CB -1.799 39.034 40.800 0.054 0.000 1.039 213 D HN 0.453 nan 8.370 nan 0.000 0.423 214 Y N 1.312 121.671 120.300 0.098 0.000 2.537 214 Y HA 0.138 4.688 4.550 0.000 0.000 0.339 214 Y C 0.503 176.492 175.900 0.149 0.000 1.066 214 Y CA -0.095 58.080 58.100 0.125 0.000 1.357 214 Y CB 0.516 39.077 38.460 0.169 0.000 1.175 214 Y HN -0.018 nan 8.280 nan 0.000 0.525 215 Q N 7.375 126.782 119.800 -0.654 0.000 2.288 215 Q HA 0.160 4.500 4.340 0.000 0.000 0.258 215 Q C -1.201 174.196 176.000 -1.006 0.000 0.957 215 Q CA -0.265 55.189 55.803 -0.581 0.000 0.919 215 Q CB 1.487 30.017 28.738 -0.347 0.000 1.185 215 Q HN 0.752 nan 8.270 nan 0.000 0.408 216 F N 1.202 120.610 119.950 -0.904 0.000 2.469 216 F HA 0.511 5.038 4.527 0.000 0.000 0.332 216 F C -0.592 174.847 175.800 -0.603 0.000 1.103 216 F CA -0.518 56.931 58.000 -0.919 0.000 0.979 216 F CB 1.785 39.745 39.000 -1.733 0.000 1.137 216 F HN 0.373 nan 8.300 nan 0.000 0.463 217 S N 4.050 118.989 115.700 -1.268 0.000 2.603 217 S HA 0.671 5.141 4.470 0.000 0.000 0.274 217 S C -1.461 172.593 174.600 -0.909 0.000 1.168 217 S CA -0.387 57.294 58.200 -0.866 0.000 0.963 217 S CB 1.232 64.163 63.200 -0.449 0.000 1.078 217 S HN 0.951 nan 8.310 nan 0.000 0.477 218 S N 2.784 118.100 115.700 -0.641 0.000 2.565 218 S HA 0.402 4.872 4.470 0.000 0.000 0.274 218 S C -1.828 172.698 174.600 -0.122 0.000 1.144 218 S CA -0.617 57.361 58.200 -0.370 0.000 0.849 218 S CB 1.438 64.408 63.200 -0.385 0.000 1.103 218 S HN 0.748 nan 8.310 nan 0.000 0.455 219 Q N 1.588 121.357 119.800 -0.052 0.000 2.354 219 Q HA 0.206 4.546 4.340 0.000 0.000 0.244 219 Q C -0.731 175.327 176.000 0.097 0.000 0.969 219 Q CA -0.215 55.605 55.803 0.028 0.000 0.885 219 Q CB 0.511 29.259 28.738 0.016 0.000 1.241 219 Q HN 0.721 nan 8.270 nan 0.000 0.461 220 Y N 1.812 122.129 120.300 0.029 0.000 2.788 220 Y HA -0.076 4.474 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 0.634 58.764 58.100 0.049 0.000 1.503 220 Y CB 0.467 38.952 38.460 0.041 0.000 1.325 220 Y HN 0.481 nan 8.280 nan 0.000 0.614 221 Q N 6.912 126.205 119.800 -0.845 0.000 2.268 221 Q HA 0.419 4.759 4.340 0.000 0.000 0.266 221 Q C -2.967 172.460 176.000 -0.956 0.000 1.006 221 Q CA -2.542 52.787 55.803 -0.790 0.000 0.824 221 Q CB 2.054 30.629 28.738 -0.272 0.000 1.306 221 Q HN 0.415 nan 8.270 nan 0.000 0.424 222 P HA 0.152 nan 4.420 nan 0.000 0.263 222 P C 0.514 177.732 177.300 -0.136 0.000 1.195 222 P CA 1.336 64.279 63.100 -0.262 0.000 0.762 222 P CB 0.756 32.389 31.700 -0.111 0.000 0.799 223 G N 2.163 110.937 108.800 -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 0.463 175.359 174.900 -0.007 0.000 1.010 223 G CA 0.234 45.324 45.100 -0.017 0.000 0.618 223 G HN 1.067 nan 8.290 nan 0.000 0.516 224 G N -2.279 106.503 108.800 -0.031 0.000 2.631 224 G HA2 0.320 4.280 3.960 0.000 0.000 0.504 224 G HA3 0.320 4.280 3.960 0.000 0.000 0.504 224 G C -0.587 174.332 174.900 0.032 0.000 1.306 224 G CA 0.084 45.198 45.100 0.024 0.000 0.897 224 G HN 1.548 nan 8.290 nan 0.000 0.520 225 V N 0.843 120.819 119.914 0.104 0.000 2.407 225 V HA 0.650 4.770 4.120 0.000 0.000 0.291 225 V C 0.421 176.604 176.094 0.149 0.000 1.018 225 V CA -0.223 62.165 62.300 0.146 0.000 0.842 225 V CB 1.577 33.555 31.823 0.258 0.000 0.996 225 V HN 0.999 nan 8.190 nan 0.000 0.426 226 T N 6.871 121.493 114.554 0.112 0.000 2.799 226 T HA 0.726 5.076 4.350 0.000 0.000 0.286 226 T C -0.180 174.595 174.700 0.126 0.000 0.973 226 T CA -0.085 62.074 62.100 0.097 0.000 1.035 226 T CB 0.886 69.792 68.868 0.064 0.000 0.932 226 T HN 0.649 nan 8.240 nan 0.000 0.469 227 I N -0.682 119.969 120.570 0.135 0.000 2.892 227 I HA 0.665 4.835 4.170 0.000 0.000 0.306 227 I C -0.449 175.728 176.117 0.100 0.000 1.078 227 I CA -0.934 60.456 61.300 0.151 0.000 1.032 227 I CB 2.338 40.488 38.000 0.251 0.000 1.229 227 I HN 0.301 nan 8.210 nan 0.000 0.435 228 T N 4.958 119.550 114.554 0.063 0.000 2.832 228 T HA 0.241 4.591 4.350 0.000 0.000 0.313 228 T C 0.734 175.443 174.700 0.014 0.000 1.035 228 T CA -0.272 61.834 62.100 0.010 0.000 0.950 228 T CB 1.048 69.899 68.868 -0.030 0.000 0.984 228 T HN 0.593 nan 8.240 nan 0.000 0.486 229 L N 4.513 125.751 121.223 0.025 0.000 2.046 229 L HA 0.236 4.576 4.340 0.000 0.000 0.208 229 L C 0.216 177.157 176.870 0.118 0.000 1.077 229 L CA 1.763 56.646 54.840 0.072 0.000 0.747 229 L CB -0.277 41.896 42.059 0.189 0.000 0.896 229 L HN 0.709 nan 8.230 nan 0.000 0.432 230 F N -3.287 116.658 119.950 -0.008 0.000 2.713 230 F HA 0.651 5.178 4.527 0.000 0.000 0.311 230 F C -0.724 175.069 175.800 -0.011 0.000 1.141 230 F CA -0.905 57.079 58.000 -0.028 0.000 0.939 230 F CB 0.736 39.709 39.000 -0.044 0.000 1.325 230 F HN -0.304 nan 8.300 nan 0.000 0.453 231 S N 1.164 116.984 115.700 0.200 0.000 2.575 231 S HA 0.895 5.365 4.470 0.000 0.000 0.278 231 S C -1.524 173.199 174.600 0.206 0.000 1.139 231 S CA 0.091 58.348 58.200 0.095 0.000 0.954 231 S CB 1.262 64.463 63.200 0.001 0.000 1.054 231 S HN 1.682 nan 8.310 nan 0.000 0.483 232 A N 3.863 126.787 122.820 0.173 0.000 2.488 232 A HA 0.705 5.025 4.320 0.000 0.000 0.298 232 A C -1.193 176.377 177.584 -0.022 0.000 1.044 232 A CA -0.886 51.199 52.037 0.080 0.000 0.693 232 A CB 1.066 20.113 19.000 0.077 0.000 1.272 232 A HN 0.713 nan 8.150 nan 0.000 0.402 233 N N 1.453 120.122 118.700 -0.052 0.000 2.442 233 N HA 0.528 5.268 4.740 0.000 0.000 0.265 233 N C -0.216 175.161 175.510 -0.221 0.000 1.138 233 N CA 0.277 53.281 53.050 -0.077 0.000 0.956 233 N CB 0.507 38.983 38.487 -0.019 0.000 1.067 233 N HN 0.744 nan 8.380 nan 0.000 0.474 234 I N -2.159 118.258 120.570 -0.256 0.000 3.174 234 I HA 0.614 4.784 4.170 0.000 0.000 0.313 234 I C -1.054 175.011 176.117 -0.086 0.000 1.155 234 I CA -0.965 60.040 61.300 -0.492 0.000 0.977 234 I CB 2.668 40.209 38.000 -0.764 0.000 1.248 234 I HN 0.028 nan 8.210 nan 0.000 0.453 235 D N 2.074 122.533 120.400 0.098 0.000 2.646 235 D HA 0.721 5.361 4.640 0.000 0.000 0.245 235 D C -1.162 175.222 176.300 0.141 0.000 1.099 235 D CA -0.227 53.860 54.000 0.146 0.000 0.849 235 D CB 2.397 43.313 40.800 0.194 0.000 1.448 235 D HN 0.903 nan 8.370 nan 0.000 0.489 236 A N 1.993 124.861 122.820 0.081 0.000 2.517 236 A HA 0.523 4.843 4.320 0.000 0.000 0.297 236 A C -0.198 177.390 177.584 0.006 0.000 1.050 236 A CA -0.517 51.553 52.037 0.056 0.000 0.694 236 A CB 0.911 19.944 19.000 0.054 0.000 1.277 236 A HN 0.552 nan 8.150 nan 0.000 0.400 237 I N 0.530 121.088 120.570 -0.020 0.000 4.124 237 I HA 0.118 4.288 4.170 0.000 0.000 0.311 237 I C 1.271 177.377 176.117 -0.018 0.000 1.259 237 I CA 1.081 62.329 61.300 -0.086 0.000 1.315 237 I CB 0.651 38.504 38.000 -0.246 0.000 1.223 237 I HN 0.792 nan 8.210 nan 0.000 0.441 238 T N -1.460 113.122 114.554 0.046 0.000 2.762 238 T HA 0.409 4.759 4.350 0.000 0.000 0.272 238 T C 0.321 175.072 174.700 0.085 0.000 0.982 238 T CA -0.493 61.653 62.100 0.076 0.000 1.013 238 T CB 1.162 70.105 68.868 0.125 0.000 1.309 238 T HN 0.126 nan 8.240 nan 0.000 0.572 239 S N 0.619 116.387 115.700 0.113 0.000 2.558 239 S HA 0.370 4.840 4.470 0.000 0.000 0.291 239 S C 0.042 174.754 174.600 0.186 0.000 1.306 239 S CA -0.425 57.870 58.200 0.158 0.000 1.056 239 S CB -0.980 62.333 63.200 0.188 0.000 0.836 239 S HN 1.190 nan 8.310 nan 0.000 0.504 240 L N -0.523 120.772 121.223 0.120 0.000 2.491 240 L HA 0.949 5.289 4.340 0.000 0.000 0.254 240 L C -0.655 176.223 176.870 0.013 0.000 1.048 240 L CA -1.007 53.803 54.840 -0.051 0.000 0.855 240 L CB 1.861 43.906 42.059 -0.024 0.000 1.466 240 L HN 0.855 nan 8.230 nan 0.000 0.409 241 S N -0.203 115.461 115.700 -0.060 0.000 2.569 241 S HA 0.888 5.358 4.470 0.000 0.000 0.280 241 S C -1.077 173.550 174.600 0.044 0.000 1.111 241 S CA -0.687 57.542 58.200 0.049 0.000 0.887 241 S CB 1.982 65.257 63.200 0.125 0.000 1.095 241 S HN 0.662 nan 8.310 nan 0.000 0.476 242 V N 1.490 121.457 119.914 0.089 0.000 2.487 242 V HA 0.842 4.962 4.120 0.000 0.000 0.298 242 V C 0.692 176.871 176.094 0.141 0.000 1.028 242 V CA 0.002 62.367 62.300 0.109 0.000 0.860 242 V CB 1.196 33.117 31.823 0.164 0.000 0.991 242 V HN 1.248 nan 8.190 nan 0.000 0.427 243 G N 1.796 110.652 108.800 0.094 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 -0.143 174.792 174.900 0.058 0.000 1.308 243 G CA -0.223 44.942 45.100 0.107 0.000 0.964 243 G HN 1.490 nan 8.290 nan 0.000 0.484 244 G N -1.143 107.708 108.800 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 -0.978 174.009 174.900 0.144 0.000 1.270 244 G CA 0.066 45.186 45.100 0.033 0.000 0.992 244 G HN 0.938 nan 8.290 nan 0.000 0.499 245 E N -1.166 119.085 120.200 0.085 0.000 2.354 245 E HA 0.550 4.900 4.350 0.000 0.000 0.283 245 E C -0.966 175.691 176.600 0.095 0.000 0.938 245 E CA -0.766 55.745 56.400 0.185 0.000 0.777 245 E CB 1.572 31.339 29.700 0.111 0.000 1.222 245 E HN 0.605 nan 8.360 nan 0.000 0.423 246 L N 2.944 124.276 121.223 0.183 0.000 2.325 246 L HA 0.637 4.977 4.340 0.000 0.000 0.278 246 L C -0.668 176.146 176.870 -0.094 0.000 1.023 246 L CA -1.115 53.708 54.840 -0.029 0.000 0.811 246 L CB 1.796 43.833 42.059 -0.036 0.000 1.249 246 L HN 0.298 nan 8.230 nan 0.000 0.431 247 V N 2.566 122.322 119.914 -0.264 0.000 2.448 247 V HA 0.445 4.565 4.120 0.000 0.000 0.295 247 V C -0.697 175.197 176.094 -0.334 0.000 1.025 247 V CA -0.442 61.766 62.300 -0.154 0.000 0.859 247 V CB 1.628 33.415 31.823 -0.060 0.000 0.988 247 V HN 0.370 nan 8.190 nan 0.000 0.431 248 F N 4.329 124.266 119.950 -0.021 0.000 2.469 248 F HA 0.715 5.242 4.527 0.000 0.000 0.332 248 F C 0.555 176.374 175.800 0.032 0.000 1.103 248 F CA -0.686 57.299 58.000 -0.025 0.000 0.979 248 F CB 1.691 40.578 39.000 -0.189 0.000 1.137 248 F HN 0.252 nan 8.300 nan 0.000 0.463 249 R N 1.145 121.802 120.500 0.262 0.000 2.803 249 R HA 0.759 5.099 4.340 0.000 0.000 0.276 249 R C -0.831 175.608 176.300 0.232 0.000 0.978 249 R CA -0.808 55.405 56.100 0.189 0.000 0.939 249 R CB 2.157 32.535 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.035 113.608 114.554 0.148 0.000 2.885 250 T HA 0.228 4.578 4.350 0.000 0.000 0.322 250 T C -0.002 174.714 174.700 0.027 0.000 1.387 250 T CA -0.404 61.775 62.100 0.132 0.000 1.041 250 T CB 1.429 70.403 68.868 0.177 0.000 1.287 250 T HN 0.453 nan 8.240 nan 0.000 0.491 251 S N 0.941 116.646 115.700 0.007 0.000 2.511 251 S HA 0.243 4.713 4.470 0.000 0.000 0.214 251 S C 0.407 174.924 174.600 -0.139 0.000 0.997 251 S CA -0.124 58.041 58.200 -0.059 0.000 0.908 251 S CB 0.360 63.551 63.200 -0.015 0.000 0.803 251 S HN 0.593 nan 8.310 nan 0.000 0.504 252 V N 3.797 123.663 119.914 -0.080 0.000 2.439 252 V HA 0.297 4.417 4.120 0.000 0.000 0.282 252 V C 0.029 176.057 176.094 -0.109 0.000 1.039 252 V CA -0.828 61.440 62.300 -0.054 0.000 0.913 252 V CB 0.642 32.494 31.823 0.049 0.000 0.983 252 V HN 0.412 nan 8.190 nan 0.000 0.460 253 H N 2.826 121.921 119.070 0.042 0.000 2.562 253 H HA 0.347 4.903 4.556 0.000 0.000 0.352 253 H C 1.264 176.607 175.328 0.024 0.000 1.125 253 H CA 0.827 56.893 56.048 0.030 0.000 1.379 253 H CB 1.390 31.162 29.762 0.016 0.000 1.464 253 H HN 1.015 nan 8.280 nan 0.000 0.563 254 G N 2.644 111.529 108.800 0.140 0.000 2.176 254 G HA2 -0.240 3.720 3.960 0.000 0.000 0.252 254 G HA3 -0.240 3.720 3.960 0.000 0.000 0.252 254 G C 0.076 175.010 174.900 0.058 0.000 1.024 254 G CA -0.155 44.992 45.100 0.078 0.000 0.755 254 G HN 0.461 nan 8.290 nan 0.000 0.507 255 L N -0.037 121.223 121.223 0.062 0.000 2.326 255 L HA 0.579 4.919 4.340 0.000 0.000 0.278 255 L C 0.465 177.342 176.870 0.012 0.000 1.092 255 L CA -0.824 54.056 54.840 0.067 0.000 0.810 255 L CB 1.577 43.705 42.059 0.115 0.000 1.153 255 L HN -0.042 nan 8.230 nan 0.000 0.439 256 V N 4.955 124.872 119.914 0.005 0.000 2.487 256 V HA 0.431 4.551 4.120 0.000 0.000 0.298 256 V C 0.014 176.050 176.094 -0.097 0.000 1.028 256 V CA -0.485 61.786 62.300 -0.047 0.000 0.860 256 V CB 2.129 33.941 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.949 125.054 121.223 -0.197 0.000 2.317 257 L HA 0.810 5.150 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 -0.324 54.339 54.840 -0.295 0.000 0.810 257 L CB 1.928 43.630 42.059 -0.595 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.736 110.427 108.800 -0.181 0.000 2.452 258 G HA2 0.771 4.731 3.960 0.000 0.000 0.324 258 G HA3 0.771 4.731 3.960 0.000 0.000 0.324 258 G C -1.394 173.421 174.900 -0.141 0.000 1.214 258 G CA -0.391 44.626 45.100 -0.138 0.000 0.947 258 G HN 0.736 nan 8.290 nan 0.000 0.478 259 A N 1.139 123.877 122.820 -0.136 0.000 2.488 259 A HA 0.868 5.188 4.320 0.000 0.000 0.298 259 A C -0.459 177.049 177.584 -0.126 0.000 1.044 259 A CA -0.572 51.403 52.037 -0.104 0.000 0.693 259 A CB 1.862 20.802 19.000 -0.099 0.000 1.272 259 A HN 0.790 nan 8.150 nan 0.000 0.402 260 T N 2.415 116.901 114.554 -0.112 0.000 2.886 260 T HA 0.554 4.904 4.350 0.000 0.000 0.292 260 T C -0.590 173.947 174.700 -0.273 0.000 1.012 260 T CA -0.235 61.713 62.100 -0.253 0.000 0.982 260 T CB 1.128 69.768 68.868 -0.380 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 2.995 123.389 120.570 -0.292 0.000 2.359 261 I HA 0.405 4.575 4.170 0.000 0.000 0.294 261 I C -1.073 174.834 176.117 -0.349 0.000 0.987 261 I CA -0.796 60.396 61.300 -0.181 0.000 1.225 261 I CB 1.094 39.106 38.000 0.020 0.000 1.366 261 I HN 0.631 nan 8.210 nan 0.000 0.466 262 Y N 6.239 126.515 120.300 -0.040 0.000 2.364 262 Y HA 0.494 5.045 4.550 0.000 0.000 0.340 262 Y C -0.297 175.583 175.900 -0.034 0.000 0.975 262 Y CA -0.727 57.351 58.100 -0.037 0.000 1.089 262 Y CB 1.545 39.975 38.460 -0.051 0.000 1.192 262 Y HN 0.295 nan 8.280 nan 0.000 0.454 263 L N 5.261 126.553 121.223 0.115 0.000 2.287 263 L HA 0.465 4.805 4.340 0.000 0.000 0.287 263 L C -0.818 176.089 176.870 0.061 0.000 1.022 263 L CA -0.589 54.291 54.840 0.066 0.000 0.814 263 L CB 0.731 42.814 42.059 0.039 0.000 1.217 263 L HN 0.478 nan 8.230 nan 0.000 0.420 264 I N 2.374 122.967 120.570 0.039 0.000 2.392 264 I HA 0.412 4.582 4.170 0.000 0.000 0.295 264 I C 0.890 177.018 176.117 0.019 0.000 0.985 264 I CA -0.227 61.085 61.300 0.020 0.000 1.221 264 I CB 1.437 39.432 38.000 -0.008 0.000 1.366 264 I HN 0.555 nan 8.210 nan 0.000 0.467 265 G N 3.255 112.067 108.800 0.020 0.000 2.562 265 G HA2 0.189 4.149 3.960 0.000 0.000 0.275 265 G HA3 0.189 4.149 3.960 0.000 0.000 0.275 265 G C 0.440 175.387 174.900 0.078 0.000 1.196 265 G CA -0.345 44.785 45.100 0.051 0.000 0.908 265 G HN 0.590 nan 8.290 nan 0.000 0.524 266 F N 0.680 120.611 119.950 -0.031 0.000 2.192 266 F HA -0.164 4.363 4.527 0.000 0.000 0.301 266 F C 2.156 177.870 175.800 -0.145 0.000 1.079 266 F CA 2.032 59.941 58.000 -0.151 0.000 1.303 266 F CB 0.242 39.029 39.000 -0.354 0.000 1.024 266 F HN 0.435 nan 8.300 nan 0.000 0.494 267 D N -1.037 119.352 120.400 -0.017 0.000 2.325 267 D HA 0.155 4.795 4.640 0.000 0.000 0.225 267 D C 1.780 178.051 176.300 -0.047 0.000 1.096 267 D CA 0.676 54.662 54.000 -0.024 0.000 0.844 267 D CB -0.585 40.366 40.800 0.252 0.000 0.925 267 D HN 0.399 nan 8.370 nan 0.000 0.513 268 G N -0.616 108.135 108.800 -0.082 0.000 2.179 268 G HA2 -0.278 3.682 3.960 0.000 0.000 0.260 268 G HA3 -0.278 3.682 3.960 0.000 0.000 0.260 268 G C 0.470 175.348 174.900 -0.038 0.000 0.977 268 G CA 0.486 45.542 45.100 -0.073 0.000 0.641 268 G HN 0.511 nan 8.290 nan 0.000 0.533 269 T N 1.680 116.233 114.554 -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 0.622 62.729 62.100 0.013 0.000 1.094 269 T CB 0.843 69.741 68.868 0.051 0.000 0.968 269 T HN 0.195 nan 8.240 nan 0.000 0.521 270 T N 3.613 118.176 114.554 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 0.689 69.610 68.868 0.088 0.000 0.881 270 T HN 0.363 nan 8.240 nan 0.000 0.532 271 V N 4.120 124.056 119.914 0.036 0.000 2.426 271 V HA 0.267 4.387 4.120 0.000 0.000 0.242 271 V C 0.714 176.822 176.094 0.024 0.000 1.036 271 V CA 0.919 63.225 62.300 0.010 0.000 1.044 271 V CB -0.031 31.782 31.823 -0.017 0.000 0.688 271 V HN 0.723 nan 8.190 nan 0.000 0.462 272 I N -0.370 120.224 120.570 0.040 0.000 2.619 272 I HA 0.431 4.601 4.170 0.000 0.000 0.292 272 I C -0.581 175.553 176.117 0.027 0.000 1.100 272 I CA -0.061 61.255 61.300 0.026 0.000 1.043 272 I CB 2.438 40.446 38.000 0.013 0.000 1.239 272 I HN 0.048 nan 8.210 nan 0.000 0.420 273 T N 5.701 120.244 114.554 -0.018 0.000 2.840 273 T HA 0.576 4.926 4.350 0.000 0.000 0.287 273 T C -0.998 173.600 174.700 -0.169 0.000 0.991 273 T CA -0.668 61.349 62.100 -0.139 0.000 0.964 273 T CB 0.691 69.520 68.868 -0.064 0.000 0.954 273 T HN 0.417 nan 8.240 nan 0.000 0.438 274 R N 3.328 123.685 120.500 -0.237 0.000 2.483 274 R HA 0.598 4.938 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 -0.688 55.311 56.100 -0.168 0.000 0.881 274 R CB 1.540 31.780 30.300 -0.098 0.000 1.177 274 R HN 0.848 nan 8.270 nan 0.000 0.451 275 A N 2.793 125.508 122.820 -0.176 0.000 2.491 275 A HA 0.187 4.507 4.320 0.000 0.000 0.261 275 A C 1.087 178.565 177.584 -0.177 0.000 1.101 275 A CA -0.184 51.750 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 0.526 nan 8.150 nan 0.000 0.501 276 V N 1.995 121.775 119.914 -0.223 0.000 2.949 276 V HA 0.350 4.470 4.120 0.000 0.000 0.245 276 V C 1.110 177.017 176.094 -0.310 0.000 1.086 276 V CA 1.701 63.805 62.300 -0.326 0.000 1.097 276 V CB -0.140 31.361 31.823 -0.536 0.000 0.762 276 V HN 1.189 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 -0.713 176.775 177.584 -0.161 0.000 1.045 277 A CA 0.209 52.128 52.037 -0.197 0.000 0.792 277 A CB 1.051 19.920 19.000 -0.217 0.000 1.307 277 A HN 0.411 nan 8.150 nan 0.000 0.406 278 A N 2.268 125.012 122.820 -0.126 0.000 2.337 278 A HA 0.790 5.110 4.320 0.000 0.000 0.331 278 A C 0.342 177.872 177.584 -0.091 0.000 1.137 278 A CA -0.119 51.857 52.037 -0.101 0.000 0.807 278 A CB 0.318 19.270 19.000 -0.079 0.000 1.250 278 A HN 2.299 nan 8.150 nan 0.000 0.468 279 N N 1.008 119.661 118.700 -0.079 0.000 2.558 279 N HA -0.225 4.515 4.740 0.000 0.000 0.302 279 N C -0.901 174.561 175.510 -0.079 0.000 1.322 279 N CA 1.037 54.047 53.050 -0.066 0.000 0.687 279 N CB -0.374 38.087 38.487 -0.043 0.000 0.992 279 N HN 0.775 nan 8.380 nan 0.000 0.524 280 N N 2.522 121.163 118.700 -0.099 0.000 2.621 280 N HA 0.309 5.049 4.740 0.000 0.000 0.271 280 N C -0.377 175.064 175.510 -0.114 0.000 1.181 280 N CA 0.146 53.128 53.050 -0.113 0.000 0.805 280 N CB 1.013 39.404 38.487 -0.160 0.000 1.351 280 N HN 0.581 nan 8.380 nan 0.000 0.539 281 G N 2.361 111.119 108.800 -0.070 0.000 2.398 281 G HA2 0.367 4.327 3.960 0.000 0.000 0.246 281 G HA3 0.367 4.327 3.960 0.000 0.000 0.246 281 G C -0.023 174.845 174.900 -0.054 0.000 1.289 281 G CA -0.118 44.953 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.911 123.107 121.223 -0.044 0.000 2.295 282 L HA 0.348 4.688 4.340 0.000 0.000 0.285 282 L C 0.431 177.306 176.870 0.009 0.000 1.035 282 L CA -0.700 54.122 54.840 -0.029 0.000 0.806 282 L CB 1.735 43.771 42.059 -0.039 0.000 1.214 282 L HN 0.392 nan 8.230 nan 0.000 0.426 283 T N 0.689 115.253 114.554 0.018 0.000 2.882 283 T HA 0.221 4.571 4.350 0.000 0.000 0.287 283 T C 0.325 175.033 174.700 0.013 0.000 0.992 283 T CA -0.458 61.660 62.100 0.030 0.000 1.076 283 T CB 1.267 70.157 68.868 0.036 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.272 116.816 114.554 -0.017 0.000 2.919 284 T HA 0.420 4.770 4.350 0.000 0.000 0.302 284 T C 1.439 176.136 174.700 -0.005 0.000 1.031 284 T CA 0.691 62.746 62.100 -0.075 0.000 1.127 284 T CB 0.448 69.171 68.868 -0.241 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.835 111.635 108.800 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 0.200 175.118 174.900 0.030 0.000 1.012 285 G CA 0.381 45.494 45.100 0.021 0.000 0.749 285 G HN 0.914 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 0.488 4.838 4.350 0.000 0.000 0.301 286 T C -0.890 173.840 174.700 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 0.073 nan 8.240 nan 0.000 0.499 287 D N 2.212 122.640 120.400 0.046 0.000 2.425 287 D HA 0.174 4.814 4.640 0.000 0.000 0.247 287 D C -0.315 176.024 176.300 0.063 0.000 1.147 287 D CA 0.307 54.340 54.000 0.055 0.000 0.879 287 D CB 0.349 41.172 40.800 0.040 0.000 1.179 287 D HN 0.379 nan 8.370 nan 0.000 0.456 288 N N 1.690 120.447 118.700 0.095 0.000 2.476 288 N HA 0.281 5.021 4.740 0.000 0.000 0.257 288 N C -0.597 174.997 175.510 0.140 0.000 0.970 288 N CA -0.478 52.631 53.050 0.099 0.000 0.938 288 N CB 1.284 39.827 38.487 0.093 0.000 1.144 288 N HN 0.163 nan 8.380 nan 0.000 0.500 289 L N 1.724 123.002 121.223 0.091 0.000 2.326 289 L HA 0.460 4.800 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 -0.171 54.726 54.840 0.095 0.000 0.810 289 L CB 0.902 42.996 42.059 0.058 0.000 1.153 289 L HN 0.465 nan 8.230 nan 0.000 0.439 290 M N 5.592 125.284 119.600 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 -1.607 53.759 55.300 0.111 0.000 0.885 290 M CB 1.601 34.339 32.600 0.231 0.000 1.469 290 M HN 0.197 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 63.127 63.100 0.108 0.000 0.801 291 P CB 0.505 32.233 31.700 0.047 0.000 1.006 292 F N 1.326 121.291 119.950 0.024 0.000 2.427 292 F HA 0.371 4.898 4.527 0.000 0.000 0.348 292 F C 0.776 176.589 175.800 0.021 0.000 1.125 292 F CA -0.139 57.876 58.000 0.024 0.000 0.989 292 F CB 0.972 39.995 39.000 0.037 0.000 1.165 292 F HN 0.128 nan 8.300 nan 0.000 0.442 293 N N 5.343 124.103 118.700 0.100 0.000 2.679 293 N HA 0.247 4.987 4.740 0.000 0.000 0.302 293 N C -1.122 174.424 175.510 0.061 0.000 1.941 293 N CA -0.053 53.043 53.050 0.075 0.000 0.875 293 N CB 1.122 39.629 38.487 0.033 0.000 1.278 293 N HN 0.435 nan 8.380 nan 0.000 0.490 294 L N 0.923 122.204 121.223 0.096 0.000 2.289 294 L HA 0.542 4.882 4.340 0.000 0.000 0.285 294 L C -0.040 176.877 176.870 0.080 0.000 1.049 294 L CA -0.785 54.099 54.840 0.074 0.000 0.804 294 L CB 1.745 43.860 42.059 0.093 0.000 1.195 294 L HN -0.205 nan 8.230 nan 0.000 0.428 295 V N 4.826 124.779 119.914 0.065 0.000 2.444 295 V HA 0.394 4.514 4.120 0.000 0.000 0.294 295 V C -0.257 175.875 176.094 0.064 0.000 1.022 295 V CA -0.377 61.972 62.300 0.081 0.000 0.850 295 V CB 2.122 33.990 31.823 0.075 0.000 0.992 295 V HN 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.527 129.143 120.570 0.075 0.000 2.328 296 I HA 0.422 4.592 4.170 0.000 0.000 0.287 296 I C -2.126 174.031 176.117 0.067 0.000 1.012 296 I CA -1.874 59.460 61.300 0.057 0.000 1.195 296 I CB 1.947 39.975 38.000 0.047 0.000 1.350 296 I HN 0.438 nan 8.210 nan 0.000 0.464 297 P HA 0.138 nan 4.420 nan 0.000 0.274 297 P C 0.646 177.971 177.300 0.042 0.000 1.231 297 P CA -0.228 62.899 63.100 0.045 0.000 0.790 297 P CB 0.804 32.521 31.700 0.028 0.000 0.951 298 T N 1.055 115.635 114.554 0.044 0.000 2.653 298 T HA -0.198 4.152 4.350 0.000 0.000 0.268 298 T C 1.607 176.322 174.700 0.025 0.000 1.035 298 T CA 2.117 64.240 62.100 0.039 0.000 1.154 298 T CB -0.910 67.983 68.868 0.042 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.356 120.070 118.700 0.023 0.000 2.443 299 N HA -0.150 4.590 4.740 0.000 0.000 0.184 299 N C 1.393 176.913 175.510 0.017 0.000 1.037 299 N CA 0.990 54.052 53.050 0.020 0.000 0.896 299 N CB -0.210 38.288 38.487 0.019 0.000 0.959 299 N HN 0.509 nan 8.380 nan 0.000 0.442 300 E N 0.195 120.405 120.200 0.016 0.000 2.371 300 E HA 0.154 4.504 4.350 0.000 0.000 0.194 300 E C 0.169 176.771 176.600 0.003 0.000 1.012 300 E CA 0.094 56.501 56.400 0.012 0.000 0.860 300 E CB 0.209 29.917 29.700 0.013 0.000 0.811 300 E HN 0.440 nan 8.360 nan 0.000 0.502 301 I N 2.350 122.920 120.570 -0.001 0.000 2.260 301 I HA -0.023 4.147 4.170 0.000 0.000 0.297 301 I C 1.403 177.493 176.117 -0.045 0.000 1.143 301 I CA -0.063 61.225 61.300 -0.021 0.000 1.271 301 I CB 0.721 38.714 38.000 -0.013 0.000 1.461 301 I HN 0.034 nan 8.210 nan 0.000 0.530 302 T N 1.608 116.122 114.554 -0.067 0.000 3.055 302 T HA -0.007 4.343 4.350 0.000 0.000 0.265 302 T C 0.524 175.068 174.700 -0.261 0.000 1.111 302 T CA 0.307 62.359 62.100 -0.081 0.000 1.118 302 T CB -0.078 68.768 68.868 -0.035 0.000 0.909 302 T HN 0.693 nan 8.240 nan 0.000 0.501 303 Q N -0.593 118.991 119.800 -0.360 0.000 2.522 303 Q HA 0.548 4.888 4.340 0.000 0.000 0.285 303 Q C -3.482 172.392 176.000 -0.210 0.000 0.982 303 Q CA -2.560 52.901 55.803 -0.570 0.000 0.805 303 Q CB 0.810 28.729 28.738 -1.364 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 -0.591 176.739 177.300 0.051 0.000 1.173 304 P CA 0.220 63.345 63.100 0.042 0.000 0.760 304 P CB 0.250 32.065 31.700 0.192 0.000 0.783 305 I N 3.142 123.734 120.570 0.036 0.000 2.474 305 I HA 0.076 4.246 4.170 0.000 0.000 0.287 305 I C 1.529 177.685 176.117 0.065 0.000 1.048 305 I CA 0.671 61.995 61.300 0.040 0.000 1.383 305 I CB 0.419 38.434 38.000 0.026 0.000 1.412 305 I HN 0.350 nan 8.210 nan 0.000 0.531 306 T N 3.263 117.855 114.554 0.063 0.000 2.954 306 T HA 0.130 4.480 4.350 0.000 0.000 0.252 306 T C 0.433 175.142 174.700 0.015 0.000 0.983 306 T CA 0.286 62.429 62.100 0.072 0.000 0.941 306 T CB 0.359 69.306 68.868 0.131 0.000 1.141 306 T HN 0.805 nan 8.240 nan 0.000 0.500 307 S N 0.110 115.808 115.700 -0.004 0.000 2.588 307 S HA 0.720 5.190 4.470 0.000 0.000 0.269 307 S C -1.493 173.100 174.600 -0.012 0.000 1.157 307 S CA -0.942 57.243 58.200 -0.025 0.000 0.824 307 S CB 1.841 65.028 63.200 -0.021 0.000 1.126 307 S HN 0.273 nan 8.310 nan 0.000 0.464 308 I N 1.229 121.797 120.570 -0.003 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 -0.700 60.614 61.300 0.022 0.000 1.068 308 I CB 1.740 39.775 38.000 0.058 0.000 1.251 308 I HN 1.016 nan 8.210 nan 0.000 0.424 309 K N 6.364 126.715 120.400 -0.080 0.000 2.477 309 K HA 0.659 4.979 4.320 0.000 0.000 0.255 309 K C -2.027 174.396 176.600 -0.294 0.000 0.952 309 K CA -0.966 55.150 56.287 -0.285 0.000 0.826 309 K CB 2.440 34.844 32.500 -0.159 0.000 1.331 309 K HN 0.467 nan 8.250 nan 0.000 0.437 310 L N 1.116 121.982 121.223 -0.594 0.000 2.349 310 L HA 0.437 4.777 4.340 0.000 0.000 0.278 310 L C -1.185 175.621 176.870 -0.107 0.000 0.996 310 L CA -0.002 54.660 54.840 -0.297 0.000 0.825 310 L CB 1.763 43.604 42.059 -0.364 0.000 1.243 310 L HN 0.778 nan 8.230 nan 0.000 0.412 311 E N 5.140 125.380 120.200 0.066 0.000 2.214 311 E HA 0.574 4.924 4.350 0.000 0.000 0.274 311 E C -1.140 175.505 176.600 0.076 0.000 0.977 311 E CA -0.616 55.845 56.400 0.100 0.000 0.827 311 E CB 2.331 32.156 29.700 0.209 0.000 1.130 311 E HN 0.541 nan 8.360 nan 0.000 0.394 312 I N 2.253 122.869 120.570 0.077 0.000 2.466 312 I HA 0.259 4.429 4.170 0.000 0.000 0.289 312 I C -0.791 175.338 176.117 0.021 0.000 1.026 312 I CA -1.003 60.314 61.300 0.029 0.000 1.078 312 I CB 1.906 39.935 38.000 0.049 0.000 1.249 312 I HN 0.171 nan 8.210 nan 0.000 0.429 313 V N 4.216 124.117 119.914 -0.022 0.000 2.427 313 V HA 0.490 4.610 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 -0.401 61.899 62.300 -0.000 0.000 0.893 313 V CB 1.481 33.306 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 0.656 5.006 4.350 0.000 0.000 0.284 314 T C -0.134 174.655 174.700 0.149 0.000 0.992 314 T CA -0.519 61.640 62.100 0.099 0.000 0.957 314 T CB 1.389 70.377 68.868 0.201 0.000 0.942 314 T HN 0.931 nan 8.240 nan 0.000 0.439 315 S N 2.623 118.402 115.700 0.132 0.000 2.627 315 S HA 0.782 5.252 4.470 0.000 0.000 0.283 315 S C -1.212 173.496 174.600 0.180 0.000 1.127 315 S CA -1.128 57.181 58.200 0.181 0.000 0.863 315 S CB 2.346 65.627 63.200 0.135 0.000 1.121 315 S HN 0.558 nan 8.310 nan 0.000 0.479 316 K N 0.179 120.717 120.400 0.230 0.000 2.316 316 K HA 0.567 4.887 4.320 0.000 0.000 0.251 316 K C 0.665 177.286 176.600 0.036 0.000 0.934 316 K CA -0.663 55.681 56.287 0.094 0.000 0.802 316 K CB 1.831 34.332 32.500 0.002 0.000 1.171 316 K HN 0.642 nan 8.250 nan 0.000 0.426 317 S N 1.239 116.943 115.700 0.007 0.000 2.354 317 S HA -0.165 4.305 4.470 0.000 0.000 0.219 317 S C 1.525 176.096 174.600 -0.049 0.000 1.035 317 S CA 1.614 59.811 58.200 -0.005 0.000 1.037 317 S CB -0.365 62.834 63.200 -0.002 0.000 0.956 317 S HN 0.890 nan 8.310 nan 0.000 0.428 318 G N 0.539 109.281 108.800 -0.097 0.000 2.707 318 G HA2 0.375 4.335 3.960 0.000 0.000 0.204 318 G HA3 0.375 4.335 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 0.429 45.444 45.100 -0.142 0.000 0.890 318 G HN 1.301 nan 8.290 nan 0.000 0.552 319 G N -2.402 106.096 108.800 -0.502 0.000 2.788 319 G HA2 0.295 4.255 3.960 0.000 0.000 0.686 319 G HA3 0.295 4.255 3.960 0.000 0.000 0.686 319 G C -0.759 173.849 174.900 -0.487 0.000 1.147 319 G CA 0.170 44.591 45.100 -1.131 0.000 0.755 319 G HN 0.719 nan 8.290 nan 0.000 0.634 320 Q N -0.500 119.131 119.800 -0.282 0.000 2.870 320 Q HA 0.794 5.134 4.340 0.000 0.000 0.366 320 Q C 1.497 177.619 176.000 0.203 0.000 0.738 320 Q CA 0.053 55.873 55.803 0.029 0.000 0.870 320 Q CB 0.615 29.344 28.738 -0.015 0.000 1.237 320 Q HN 1.479 nan 8.270 nan 0.000 0.497 321 A N 0.393 123.283 122.820 0.118 0.000 1.889 321 A HA 0.233 4.553 4.320 0.000 0.000 0.209 321 A C 0.855 178.507 177.584 0.114 0.000 1.315 321 A CA 1.459 53.561 52.037 0.108 0.000 0.611 321 A CB -1.261 17.774 19.000 0.059 0.000 0.950 321 A HN 0.508 nan 8.150 nan 0.000 0.477 322 G N -0.952 107.889 108.800 0.069 0.000 2.350 322 G HA2 0.456 4.416 3.960 0.000 0.000 0.306 322 G HA3 0.456 4.416 3.960 0.000 0.000 0.306 322 G C -0.573 174.360 174.900 0.055 0.000 1.094 322 G CA -0.049 45.085 45.100 0.057 0.000 0.953 322 G HN 0.322 nan 8.290 nan 0.000 0.420 323 D N 0.640 121.087 120.400 0.079 0.000 2.473 323 D HA 0.036 4.676 4.640 0.000 0.000 0.242 323 D C 0.351 176.682 176.300 0.052 0.000 1.106 323 D CA 0.189 54.224 54.000 0.058 0.000 0.854 323 D CB 0.352 41.183 40.800 0.052 0.000 1.192 323 D HN 0.342 nan 8.370 nan 0.000 0.503 324 Q N 0.773 120.603 119.800 0.051 0.000 2.499 324 Q HA -0.185 4.155 4.340 0.000 0.000 0.262 324 Q C -0.344 175.677 176.000 0.034 0.000 1.328 324 Q CA 0.780 56.589 55.803 0.011 0.000 0.794 324 Q CB -1.424 27.303 28.738 -0.019 0.000 0.888 324 Q HN 0.445 nan 8.270 nan 0.000 0.305 325 M N 1.025 120.663 119.600 0.063 0.000 2.157 325 M HA 0.540 5.020 4.480 0.000 0.000 0.354 325 M C 0.278 176.629 176.300 0.086 0.000 1.170 325 M CA -0.437 54.949 55.300 0.143 0.000 1.060 325 M CB 1.802 34.572 32.600 0.282 0.000 1.615 325 M HN 0.484 nan 8.290 nan 0.000 0.460 326 S N 3.039 118.808 115.700 0.115 0.000 2.541 326 S HA 0.867 5.337 4.470 0.000 0.000 0.280 326 S C -1.459 173.275 174.600 0.223 0.000 1.112 326 S CA -0.836 57.389 58.200 0.041 0.000 0.925 326 S CB 1.745 64.918 63.200 -0.044 0.000 1.067 326 S HN 0.968 nan 8.310 nan 0.000 0.479 327 W N 0.182 121.667 121.300 0.308 0.000 3.118 327 W HA 0.721 5.381 4.660 0.000 0.000 0.328 327 W C -1.223 175.428 176.519 0.220 0.000 1.239 327 W CA -0.873 56.618 57.345 0.244 0.000 1.176 327 W CB 1.251 30.873 29.460 0.270 0.000 1.433 327 W HN 0.707 nan 8.180 nan 0.000 0.562 328 S N 1.056 117.112 115.700 0.594 0.000 2.509 328 S HA 0.807 5.277 4.470 0.000 0.000 0.297 328 S C -0.720 174.157 174.600 0.462 0.000 1.118 328 S CA -0.223 58.224 58.200 0.413 0.000 1.074 328 S CB 1.003 64.322 63.200 0.199 0.000 1.038 328 S HN 0.831 nan 8.310 nan 0.000 0.498 329 A N 4.466 127.505 122.820 0.365 0.000 2.414 329 A HA 0.871 5.191 4.320 0.000 0.000 0.306 329 A C -0.603 176.966 177.584 -0.024 0.000 1.054 329 A CA -0.782 51.236 52.037 -0.032 0.000 0.724 329 A CB 1.443 20.397 19.000 -0.076 0.000 1.267 329 A HN 0.745 nan 8.150 nan 0.000 0.418 330 R N 0.762 121.159 120.500 -0.171 0.000 2.651 330 R HA 0.683 5.023 4.340 0.000 0.000 0.278 330 R C -0.579 175.646 176.300 -0.125 0.000 1.010 330 R CA 0.337 56.386 56.100 -0.085 0.000 0.896 330 R CB 2.195 32.468 30.300 -0.045 0.000 1.211 330 R HN 2.072 nan 8.270 nan 0.000 0.456 331 G N 0.908 109.655 108.800 -0.089 0.000 2.333 331 G HA2 0.094 4.054 3.960 0.000 0.000 0.330 331 G HA3 0.094 4.054 3.960 0.000 0.000 0.330 331 G C -1.720 173.110 174.900 -0.117 0.000 1.465 331 G CA -0.641 44.404 45.100 -0.092 0.000 0.996 331 G HN 0.567 nan 8.290 nan 0.000 0.655 332 S N -0.547 115.080 115.700 -0.121 0.000 2.566 332 S HA 0.882 5.352 4.470 0.000 0.000 0.298 332 S C -0.281 174.203 174.600 -0.194 0.000 1.083 332 S CA -0.960 57.140 58.200 -0.167 0.000 0.978 332 S CB 2.087 65.209 63.200 -0.132 0.000 1.073 332 S HN 0.769 nan 8.310 nan 0.000 0.491 333 L N 0.916 121.985 121.223 -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 -1.130 53.553 54.840 -0.262 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 1.666 124.434 122.820 -0.086 0.000 2.330 334 A HA 0.718 5.038 4.320 0.000 0.000 0.313 334 A C -0.894 176.696 177.584 0.010 0.000 1.124 334 A CA -0.470 51.550 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 0.369 nan 8.150 nan 0.000 0.465 335 V N 2.838 122.788 119.914 0.060 0.000 2.328 335 V HA 0.403 4.523 4.120 0.000 0.000 0.278 335 V C 0.109 176.252 176.094 0.081 0.000 1.021 335 V CA -0.221 62.134 62.300 0.093 0.000 0.838 335 V CB 1.176 33.089 31.823 0.150 0.000 0.999 335 V HN 0.871 nan 8.190 nan 0.000 0.447 336 T N 7.028 121.570 114.554 -0.020 0.000 2.743 336 T HA 0.484 4.834 4.350 0.000 0.000 0.292 336 T C -0.025 174.528 174.700 -0.245 0.000 0.972 336 T CA -0.150 61.878 62.100 -0.120 0.000 0.967 336 T CB 0.654 69.433 68.868 -0.150 0.000 0.926 336 T HN 0.616 nan 8.240 nan 0.000 0.459 337 I N 1.857 122.338 120.570 -0.149 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 -0.140 0.000 1.008 337 I CA -0.804 60.405 61.300 -0.152 0.000 1.226 337 I CB 0.685 38.700 38.000 0.026 0.000 1.371 337 I HN 0.547 nan 8.210 nan 0.000 0.468 338 H N 5.354 124.449 119.070 0.042 0.000 2.886 338 H HA 0.129 4.685 4.556 0.000 0.000 0.329 338 H C 1.480 176.820 175.328 0.020 0.000 1.044 338 H CA 1.067 57.131 56.048 0.026 0.000 1.456 338 H CB 0.850 30.624 29.762 0.020 0.000 1.464 338 H HN 1.027 nan 8.280 nan 0.000 0.573 339 G N 2.675 111.555 108.800 0.133 0.000 2.200 339 G HA2 -0.356 3.604 3.960 0.000 0.000 0.267 339 G HA3 -0.356 3.604 3.960 0.000 0.000 0.267 339 G C 1.554 176.505 174.900 0.085 0.000 0.993 339 G CA 0.844 45.992 45.100 0.080 0.000 0.701 339 G HN 0.868 nan 8.290 nan 0.000 0.524 340 G N 0.121 108.959 108.800 0.065 0.000 2.450 340 G HA2 -0.190 3.770 3.960 0.000 0.000 0.220 340 G HA3 -0.190 3.770 3.960 0.000 0.000 0.220 340 G C 1.331 176.262 174.900 0.053 0.000 1.130 340 G CA 1.302 46.435 45.100 0.055 0.000 0.760 340 G HN 0.519 nan 8.290 nan 0.000 0.557 341 N N -0.860 117.864 118.700 0.041 0.000 2.336 341 N HA 0.061 4.801 4.740 0.000 0.000 0.189 341 N C -0.274 175.264 175.510 0.046 0.000 1.113 341 N CA -0.475 52.586 53.050 0.018 0.000 0.858 341 N CB -0.116 38.359 38.487 -0.020 0.000 0.970 341 N HN 0.428 nan 8.380 nan 0.000 0.471 342 Y N 2.704 122.986 120.300 -0.030 0.000 2.605 342 Y HA 0.140 4.690 4.550 0.000 0.000 0.336 342 Y C -2.101 173.774 175.900 -0.041 0.000 1.111 342 Y CA -2.012 56.066 58.100 -0.037 0.000 1.422 342 Y CB 0.491 38.921 38.460 -0.050 0.000 1.193 342 Y HN 0.005 nan 8.280 nan 0.000 0.526 343 P HA 0.078 nan 4.420 nan 0.000 0.260 343 P C 0.528 177.751 177.300 -0.128 0.000 1.185 343 P CA 1.949 64.901 63.100 -0.247 0.000 0.763 343 P CB 0.482 31.985 31.700 -0.329 0.000 0.776 344 G N 3.268 112.084 108.800 0.027 0.000 2.313 344 G HA2 -0.297 3.663 3.960 0.000 0.000 0.215 344 G HA3 -0.297 3.663 3.960 0.000 0.000 0.215 344 G C 1.207 176.224 174.900 0.195 0.000 1.023 344 G CA 0.330 45.507 45.100 0.129 0.000 0.626 344 G HN 0.611 nan 8.290 nan 0.000 0.503 345 A N -0.210 122.707 122.820 0.163 0.000 1.969 345 A HA 0.539 4.859 4.320 0.000 0.000 0.218 345 A C 2.185 179.890 177.584 0.201 0.000 1.169 345 A CA 2.041 54.135 52.037 0.095 0.000 0.635 345 A CB -0.196 18.840 19.000 0.059 0.000 0.810 345 A HN 0.978 nan 8.150 nan 0.000 0.445 346 L N -3.779 117.546 121.223 0.170 0.000 3.316 346 L HA 0.203 4.543 4.340 0.000 0.000 0.300 346 L C 2.055 179.054 176.870 0.215 0.000 1.128 346 L CA 0.197 55.136 54.840 0.164 0.000 1.111 346 L CB 0.069 42.205 42.059 0.129 0.000 1.687 346 L HN 0.295 nan 8.230 nan 0.000 0.594 347 R N 1.731 122.327 120.500 0.160 0.000 2.072 347 R HA 0.081 4.421 4.340 0.000 0.000 0.221 347 R C -1.770 174.596 176.300 0.110 0.000 1.166 347 R CA 0.684 56.843 56.100 0.098 0.000 0.917 347 R CB -0.902 29.411 30.300 0.021 0.000 0.815 347 R HN 0.019 nan 8.270 nan 0.000 0.444 348 P HA 0.122 nan 4.420 nan 0.000 0.275 348 P C -1.301 176.112 177.300 0.188 0.000 1.227 348 P CA 0.144 63.292 63.100 0.081 0.000 0.781 348 P CB 1.504 33.229 31.700 0.043 0.000 0.906 349 V N 3.289 123.318 119.914 0.193 0.000 2.588 349 V HA 0.389 4.509 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 -0.289 62.118 62.300 0.178 0.000 0.877 349 V CB 2.246 34.194 31.823 0.208 0.000 0.996 349 V HN 0.468 nan 8.190 nan 0.000 0.425 350 T N 6.032 120.633 114.554 0.078 0.000 2.770 350 T HA 0.632 4.982 4.350 0.000 0.000 0.283 350 T C -0.620 174.112 174.700 0.054 0.000 0.988 350 T CA -0.281 61.875 62.100 0.093 0.000 0.957 350 T CB 0.925 69.871 68.868 0.130 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.092 125.320 121.223 0.008 0.000 2.282 351 L HA 0.558 4.898 4.340 0.000 0.000 0.288 351 L C -0.360 176.517 176.870 0.011 0.000 1.033 351 L CA -0.426 54.380 54.840 -0.056 0.000 0.807 351 L CB 1.697 43.690 42.059 -0.110 0.000 1.209 351 L HN 0.384 nan 8.230 nan 0.000 0.423 352 V N 3.419 123.349 119.914 0.027 0.000 2.326 352 V HA 0.750 4.870 4.120 0.000 0.000 0.281 352 V C 0.082 176.254 176.094 0.130 0.000 1.015 352 V CA -0.669 61.696 62.300 0.108 0.000 0.823 352 V CB 1.268 33.217 31.823 0.211 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.567 128.460 122.820 0.122 0.000 2.317 353 A HA 0.915 5.235 4.320 0.000 0.000 0.327 353 A C -0.898 176.919 177.584 0.388 0.000 1.178 353 A CA -0.482 51.663 52.037 0.179 0.000 0.817 353 A CB 0.846 19.926 19.000 0.134 0.000 1.189 353 A HN 0.978 nan 8.150 nan 0.000 0.489 354 Y N -0.017 120.479 120.300 0.325 0.000 2.524 354 Y HA 0.795 5.345 4.550 0.000 0.000 0.344 354 Y C -0.309 175.659 175.900 0.113 0.000 1.012 354 Y CA -0.945 57.315 58.100 0.267 0.000 1.068 354 Y CB 1.361 39.915 38.460 0.157 0.000 1.249 354 Y HN 0.851 nan 8.280 nan 0.000 0.468 355 E N 0.805 121.019 120.200 0.023 0.000 2.430 355 E HA 0.566 4.916 4.350 0.000 0.000 0.279 355 E C -0.561 175.992 176.600 -0.079 0.000 1.003 355 E CA -1.288 55.008 56.400 -0.174 0.000 0.801 355 E CB 1.520 30.882 29.700 -0.563 0.000 1.313 355 E HN 0.581 nan 8.360 nan 0.000 0.459 356 R N -0.895 119.570 120.500 -0.057 0.000 3.989 356 R HA -0.102 4.238 4.340 0.000 0.000 0.377 356 R C -0.446 175.869 176.300 0.025 0.000 1.158 356 R CA 0.853 56.936 56.100 -0.028 0.000 1.035 356 R CB -2.821 27.445 30.300 -0.057 0.000 1.557 356 R HN 0.484 nan 8.270 nan 0.000 0.551 357 V N 1.408 121.371 119.914 0.082 0.000 2.614 357 V HA 0.436 4.556 4.120 0.000 0.000 0.291 357 V C 1.451 177.580 176.094 0.058 0.000 1.049 357 V CA -0.039 62.307 62.300 0.078 0.000 1.038 357 V CB 1.532 33.420 31.823 0.107 0.000 0.980 357 V HN 0.366 nan 8.190 nan 0.000 0.481 358 A N 3.874 126.713 122.820 0.031 0.000 2.511 358 A HA 0.322 4.642 4.320 0.000 0.000 0.242 358 A C 0.767 178.369 177.584 0.031 0.000 1.069 358 A CA -0.001 52.051 52.037 0.024 0.000 0.763 358 A CB -0.303 18.705 19.000 0.014 0.000 1.001 358 A HN 0.865 nan 8.150 nan 0.000 0.498 359 T N 1.868 116.441 114.554 0.031 0.000 2.908 359 T HA 0.401 4.751 4.350 0.000 0.000 0.301 359 T C 1.542 176.258 174.700 0.026 0.000 1.019 359 T CA 1.615 63.737 62.100 0.036 0.000 1.152 359 T CB 0.409 69.294 68.868 0.027 0.000 0.966 359 T HN 2.025 nan 8.240 nan 0.000 0.540 360 G N 2.707 111.525 108.800 0.030 0.000 2.175 360 G HA2 -0.275 3.685 3.960 0.000 0.000 0.244 360 G HA3 -0.275 3.685 3.960 0.000 0.000 0.244 360 G C 0.376 175.281 174.900 0.009 0.000 0.982 360 G CA 0.110 45.222 45.100 0.019 0.000 0.641 360 G HN 1.132 nan 8.290 nan 0.000 0.527 361 S N -0.704 114.998 115.700 0.004 0.000 2.632 361 S HA 0.722 5.192 4.470 0.000 0.000 0.267 361 S C 0.141 174.720 174.600 -0.035 0.000 1.276 361 S CA -0.270 57.922 58.200 -0.014 0.000 0.998 361 S CB 2.497 65.687 63.200 -0.017 0.000 0.953 361 S HN 0.984 nan 8.310 nan 0.000 0.547 362 V N 1.893 121.780 119.914 -0.046 0.000 2.394 362 V HA 0.354 4.474 4.120 0.000 0.000 0.282 362 V C -0.270 175.761 176.094 -0.106 0.000 1.031 362 V CA -0.756 61.506 62.300 -0.063 0.000 0.881 362 V CB 1.310 33.110 31.823 -0.039 0.000 0.982 362 V HN 0.776 nan 8.190 nan 0.000 0.451 363 V N 4.599 124.412 119.914 -0.170 0.000 2.364 363 V HA 0.311 4.431 4.120 0.000 0.000 0.272 363 V C 0.475 176.486 176.094 -0.138 0.000 1.036 363 V CA -0.090 62.078 62.300 -0.221 0.000 0.880 363 V CB 1.650 33.207 31.823 -0.444 0.000 0.991 363 V HN 0.970 nan 8.190 nan 0.000 0.460 364 T N 5.283 119.792 114.554 -0.075 0.000 2.767 364 T HA 0.532 4.882 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 -0.271 61.816 62.100 -0.022 0.000 1.019 364 T CB 1.413 70.273 68.868 -0.014 0.000 0.923 364 T HN 0.334 nan 8.240 nan 0.000 0.468 365 V N 2.656 122.610 119.914 0.066 0.000 2.459 365 V HA 0.835 4.955 4.120 0.000 0.000 0.295 365 V C -0.090 176.072 176.094 0.113 0.000 1.029 365 V CA -0.818 61.560 62.300 0.129 0.000 0.874 365 V CB 1.411 33.371 31.823 0.230 0.000 0.985 365 V HN 1.069 nan 8.190 nan 0.000 0.438 366 A N 3.404 126.268 122.820 0.073 0.000 2.427 366 A HA 0.972 5.292 4.320 0.000 0.000 0.298 366 A C -0.169 177.425 177.584 0.016 0.000 1.036 366 A CA -0.011 52.050 52.037 0.041 0.000 0.701 366 A CB 1.895 20.905 19.000 0.016 0.000 1.250 366 A HN 1.213 nan 8.150 nan 0.000 0.412 367 G N -0.321 108.492 108.800 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 1.130 nan 8.290 nan 0.000 0.478 368 V N 0.265 120.170 119.914 -0.015 0.000 2.638 368 V HA 0.690 4.810 4.120 0.000 0.000 0.306 368 V C -0.260 175.816 176.094 -0.031 0.000 1.052 368 V CA -0.710 61.591 62.300 0.002 0.000 0.885 368 V CB 1.917 33.740 31.823 -0.001 0.000 0.999 368 V HN 0.759 nan 8.190 nan 0.000 0.424 369 S N 4.089 119.780 115.700 -0.015 0.000 2.482 369 S HA 0.581 5.051 4.470 0.000 0.000 0.303 369 S C -0.648 173.758 174.600 -0.323 0.000 1.091 369 S CA -0.811 57.282 58.200 -0.179 0.000 1.057 369 S CB 1.188 64.355 63.200 -0.056 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.712 120.094 118.700 -0.530 0.000 2.321 370 N HA 0.609 5.349 4.740 0.000 0.000 0.299 370 N C -1.501 173.646 175.510 -0.606 0.000 1.048 370 N CA -0.228 52.602 53.050 -0.366 0.000 0.836 370 N CB 1.402 39.806 38.487 -0.138 0.000 1.269 370 N HN 0.405 nan 8.380 nan 0.000 0.486 371 F N 0.018 119.987 119.950 0.032 0.000 2.576 371 F HA 0.333 4.860 4.527 0.000 0.000 0.313 371 F C 0.492 176.299 175.800 0.011 0.000 1.078 371 F CA -0.876 57.126 58.000 0.002 0.000 0.921 371 F CB 1.904 40.878 39.000 -0.044 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.974 123.278 120.200 0.174 0.000 2.227 372 E HA 0.606 4.956 4.350 0.000 0.000 0.282 372 E C -1.152 175.581 176.600 0.221 0.000 1.015 372 E CA -0.430 56.055 56.400 0.141 0.000 0.823 372 E CB 1.564 31.162 29.700 -0.170 0.000 1.081 372 E HN 0.414 nan 8.360 nan 0.000 0.396 373 L N 3.692 125.071 121.223 0.260 0.000 2.388 373 L HA 0.555 4.895 4.340 0.000 0.000 0.264 373 L C -0.654 176.391 176.870 0.291 0.000 0.998 373 L CA -0.824 54.108 54.840 0.153 0.000 0.817 373 L CB 1.861 43.686 42.059 -0.389 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.412 124.184 120.570 0.337 0.000 2.362 374 I HA 0.355 4.525 4.170 0.000 0.000 0.289 374 I C -2.215 174.137 176.117 0.392 0.000 0.994 374 I CA -2.008 59.466 61.300 0.291 0.000 1.158 374 I CB 1.974 40.089 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 -0.984 176.353 177.300 0.061 0.000 1.223 375 P CA -0.348 62.847 63.100 0.158 0.000 0.784 375 P CB 0.281 32.014 31.700 0.055 0.000 0.923 376 N N 2.419 121.086 118.700 -0.055 0.000 2.354 376 N HA 0.077 4.817 4.740 0.000 0.000 0.246 376 N C -1.974 173.517 175.510 -0.032 0.000 1.285 376 N CA -1.605 51.423 53.050 -0.037 0.000 0.925 376 N CB -1.363 37.079 38.487 -0.076 0.000 1.174 376 N HN 0.153 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 1.504 64.596 63.100 -0.014 0.000 0.843 377 P CB 0.199 31.894 31.700 -0.010 0.000 0.787 378 E N -0.949 119.226 120.200 -0.041 0.000 2.072 378 E HA -0.103 4.247 4.350 0.000 0.000 0.190 378 E C 1.763 178.331 176.600 -0.053 0.000 0.982 378 E CA 0.740 57.114 56.400 -0.043 0.000 0.803 378 E CB -1.040 28.632 29.700 -0.047 0.000 0.755 378 E HN 0.016 nan 8.360 nan 0.000 0.453 379 L N -0.029 121.146 121.223 -0.081 0.000 2.156 379 L HA 0.114 4.454 4.340 0.000 0.000 0.208 379 L C 2.033 178.873 176.870 -0.051 0.000 1.095 379 L CA 1.486 56.270 54.840 -0.093 0.000 0.770 379 L CB -0.667 41.277 42.059 -0.192 0.000 0.914 379 L HN 0.180 nan 8.230 nan 0.000 0.439 380 A N -0.892 121.907 122.820 -0.035 0.000 2.131 380 A HA -0.225 4.095 4.320 0.000 0.000 0.220 380 A C 2.175 179.753 177.584 -0.011 0.000 1.158 380 A CA 1.517 53.548 52.037 -0.010 0.000 0.665 380 A CB -0.524 18.475 19.000 -0.002 0.000 0.795 380 A HN 0.475 nan 8.150 nan 0.000 0.460 381 K N -0.784 119.606 120.400 -0.017 0.000 2.366 381 K HA 0.016 4.336 4.320 0.000 0.000 0.198 381 K C 0.372 176.966 176.600 -0.010 0.000 1.044 381 K CA 0.844 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 -0.162 118.532 118.700 -0.010 0.000 2.118 382 N HA 0.047 4.787 4.740 0.000 0.000 0.226 382 N C -1.016 174.497 175.510 0.004 0.000 1.305 382 N CA -0.048 52.999 53.050 -0.005 0.000 0.890 382 N CB 1.076 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 0.442 4.782 4.340 0.000 0.000 0.277 383 L C -0.317 176.565 176.870 0.021 0.000 1.008 383 L CA -0.567 54.290 54.840 0.028 0.000 0.846 383 L CB 1.228 43.317 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 0.251 4.371 4.120 0.000 0.000 0.296 384 V C 0.839 176.923 176.094 -0.017 0.000 1.035 384 V CA 0.004 62.300 62.300 -0.006 0.000 1.084 384 V CB 1.266 33.084 31.823 -0.007 0.000 0.953 384 V HN 0.908 nan 8.190 nan 0.000 0.483 385 T N 2.478 117.001 114.554 -0.050 0.000 2.912 385 T HA 0.811 5.161 4.350 0.000 0.000 0.288 385 T C -0.760 173.840 174.700 -0.168 0.000 1.030 385 T CA -0.904 61.139 62.100 -0.097 0.000 1.020 385 T CB 2.292 71.105 68.868 -0.091 0.000 1.056 385 T HN 0.678 nan 8.240 nan 0.000 0.480 386 E N 0.160 120.211 120.200 -0.248 0.000 2.408 386 E HA 0.361 4.711 4.350 0.000 0.000 0.275 386 E C -1.274 175.119 176.600 -0.345 0.000 0.935 386 E CA -0.980 55.268 56.400 -0.254 0.000 0.775 386 E CB 1.841 31.460 29.700 -0.135 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.496 120.754 120.300 -0.071 0.000 2.480 387 Y HA 0.232 4.782 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 0.185 58.284 58.100 -0.002 0.000 1.430 387 Y CB 0.527 39.002 38.460 0.025 0.000 1.311 387 Y HN 0.604 nan 8.280 nan 0.000 0.575 388 G N 2.789 111.773 108.800 0.307 0.000 2.559 388 G HA2 0.069 4.029 3.960 0.000 0.000 0.235 388 G HA3 0.069 4.029 3.960 0.000 0.000 0.235 388 G C -0.221 174.796 174.900 0.196 0.000 1.266 388 G CA -0.886 44.369 45.100 0.257 0.000 0.847 388 G HN 0.435 nan 8.290 nan 0.000 0.583 389 R N -0.134 120.457 120.500 0.152 0.000 2.538 389 R HA -0.012 4.328 4.340 0.000 0.000 0.282 389 R C -0.329 176.081 176.300 0.183 0.000 1.009 389 R CA -0.435 55.750 56.100 0.141 0.000 1.063 389 R CB 0.006 30.361 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 -0.343 175.464 175.800 0.013 0.000 1.115 390 F CA -1.394 56.616 58.000 0.017 0.000 1.160 390 F CB 0.458 39.462 39.000 0.006 0.000 1.123 390 F HN 0.482 nan 8.300 nan 0.000 0.508 391 D N 8.078 128.172 120.400 -0.510 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 -0.694 0.000 1.207 391 D CA -2.038 51.548 54.000 -0.690 0.000 0.884 391 D CB 1.743 42.364 40.800 -0.298 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 1.011 178.201 177.300 -0.185 0.000 1.231 392 P CA 0.447 63.306 63.100 -0.401 0.000 0.790 392 P CB 1.081 32.631 31.700 -0.250 0.000 0.951 393 G N 1.398 110.160 108.800 -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 1.123 176.046 174.900 0.038 0.000 0.980 393 G CA 0.713 45.813 45.100 0.000 0.000 0.632 393 G HN 0.738 nan 8.290 nan 0.000 0.533 394 A N -0.493 122.319 122.820 -0.013 0.000 1.877 394 A HA 0.204 4.524 4.320 0.000 0.000 0.216 394 A C 2.272 179.920 177.584 0.107 0.000 1.186 394 A CA 2.826 54.892 52.037 0.049 0.000 0.620 394 A CB -0.368 18.627 19.000 -0.009 0.000 0.822 394 A HN 1.148 nan 8.150 nan 0.000 0.443 395 M N 0.844 120.458 119.600 0.023 0.000 2.132 395 M HA -0.079 4.401 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 1.729 57.036 55.300 0.012 0.000 1.122 395 M CB -0.955 31.620 32.600 -0.042 0.000 1.365 395 M HN 0.512 nan 8.290 nan 0.000 0.411 396 N N -1.321 117.433 118.700 0.090 0.000 2.166 396 N HA -0.217 4.523 4.740 0.000 0.000 0.186 396 N C 1.733 177.321 175.510 0.130 0.000 1.019 396 N CA 1.609 54.717 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 0.429 nan 8.380 nan 0.000 0.426 397 Y N 2.336 122.667 120.300 0.053 0.000 2.200 397 Y HA -0.159 4.391 4.550 0.000 0.000 0.290 397 Y C 2.523 178.481 175.900 0.096 0.000 1.137 397 Y CA 1.405 59.547 58.100 0.070 0.000 1.163 397 Y CB -0.467 38.035 38.460 0.071 0.000 0.988 397 Y HN -0.034 nan 8.280 nan 0.000 0.518 398 T N 0.193 114.878 114.554 0.219 0.000 2.708 398 T HA -0.201 4.149 4.350 0.000 0.000 0.266 398 T C 1.801 176.564 174.700 0.105 0.000 1.037 398 T CA 1.912 64.129 62.100 0.196 0.000 1.146 398 T CB -0.199 68.859 68.868 0.317 0.000 0.865 398 T HN 0.266 nan 8.240 nan 0.000 0.435 399 K N 0.380 120.836 120.400 0.093 0.000 2.097 399 K HA -0.012 4.308 4.320 0.000 0.000 0.206 399 K C 2.199 178.801 176.600 0.003 0.000 1.049 399 K CA 0.848 57.172 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 0.138 nan 8.250 nan 0.000 0.442 400 L N 1.305 122.501 121.223 -0.045 0.000 1.994 400 L HA -0.174 4.166 4.340 0.000 0.000 0.208 400 L C 1.898 178.692 176.870 -0.127 0.000 1.071 400 L CA 1.575 56.358 54.840 -0.096 0.000 0.745 400 L CB -0.372 41.595 42.059 -0.154 0.000 0.892 400 L HN 0.082 nan 8.230 nan 0.000 0.431 401 I N -0.282 120.168 120.570 -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 1.653 62.861 61.300 -0.155 0.000 1.334 401 I CB -1.266 36.635 38.000 -0.166 0.000 1.040 401 I HN 0.322 nan 8.210 nan 0.000 0.405 402 L N 0.033 121.243 121.223 -0.022 0.000 2.093 402 L HA -0.184 4.156 4.340 0.000 0.000 0.208 402 L C 2.697 179.556 176.870 -0.019 0.000 1.085 402 L CA 1.404 56.241 54.840 -0.004 0.000 0.755 402 L CB -0.606 41.470 42.059 0.028 0.000 0.904 402 L HN 0.276 nan 8.230 nan 0.000 0.435 403 S N -0.229 115.459 115.700 -0.020 0.000 2.399 403 S HA -0.162 4.308 4.470 0.000 0.000 0.231 403 S C 1.520 176.105 174.600 -0.025 0.000 1.022 403 S CA 1.186 59.373 58.200 -0.021 0.000 0.983 403 S CB -0.071 63.119 63.200 -0.018 0.000 0.803 403 S HN 0.402 nan 8.310 nan 0.000 0.480 404 E N 0.645 120.827 120.200 -0.029 0.000 2.499 404 E HA 0.158 4.508 4.350 0.000 0.000 0.199 404 E C 1.530 178.117 176.600 -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 0.505 nan 8.360 nan 0.000 0.462 405 R N 1.471 121.952 120.500 -0.032 0.000 2.112 405 R HA -0.200 4.140 4.340 0.000 0.000 0.242 405 R C 0.897 177.160 176.300 -0.062 0.000 1.137 405 R CA 1.877 57.951 56.100 -0.044 0.000 0.944 405 R CB 0.105 30.372 30.300 -0.054 0.000 0.857 405 R HN 0.085 nan 8.270 nan 0.000 0.435 406 D N -0.269 120.094 120.400 -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 1.415 55.372 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 0.781 121.263 120.500 -0.031 0.000 2.148 407 R HA 0.019 4.359 4.340 0.000 0.000 0.223 407 R C 1.992 178.296 176.300 0.006 0.000 1.088 407 R CA 0.775 56.868 56.100 -0.013 0.000 0.985 407 R CB -0.428 29.871 30.300 -0.001 0.000 0.880 407 R HN 0.145 nan 8.270 nan 0.000 0.451 408 L N 0.338 121.570 121.223 0.015 0.000 2.446 408 L HA 0.280 4.620 4.340 0.000 0.000 0.219 408 L C 0.907 177.801 176.870 0.040 0.000 1.116 408 L CA 0.508 55.390 54.840 0.071 0.000 0.844 408 L CB 0.014 42.137 42.059 0.107 0.000 0.970 408 L HN 0.627 nan 8.230 nan 0.000 0.457 409 G N 1.539 110.302 108.800 -0.061 0.000 2.272 409 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 409 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 409 G C 0.035 174.737 174.900 -0.330 0.000 1.067 409 G CA -0.201 44.794 45.100 -0.175 0.000 0.902 409 G HN 0.300 nan 8.290 nan 0.000 0.500 410 I N 0.815 121.234 120.570 -0.252 0.000 2.294 410 I HA 0.213 4.383 4.170 0.000 0.000 0.295 410 I C 0.911 176.807 176.117 -0.367 0.000 1.098 410 I CA -0.048 61.098 61.300 -0.256 0.000 1.277 410 I CB 0.442 38.397 38.000 -0.076 0.000 1.434 410 I HN 0.083 nan 8.210 nan 0.000 0.498 411 K N 3.367 123.279 120.400 -0.813 0.000 2.087 411 K HA 0.336 4.656 4.320 0.000 0.000 0.255 411 K C 1.148 177.510 176.600 -0.395 0.000 0.988 411 K CA -0.460 55.307 56.287 -0.867 0.000 0.915 411 K CB 1.237 32.775 32.500 -1.603 0.000 1.043 411 K HN 0.560 nan 8.250 nan 0.000 0.457 412 T N -3.110 111.287 114.554 -0.262 0.000 3.051 412 T HA 0.045 4.395 4.350 0.000 0.000 0.255 412 T C 0.689 175.365 174.700 -0.041 0.000 1.085 412 T CA -0.111 61.945 62.100 -0.073 0.000 1.109 412 T CB -0.140 68.692 68.868 -0.061 0.000 0.921 412 T HN 0.371 nan 8.240 nan 0.000 0.488 413 V N -1.701 118.110 119.914 -0.170 0.000 2.577 413 V HA 0.811 4.931 4.120 0.000 0.000 0.303 413 V C -1.806 174.201 176.094 -0.145 0.000 1.042 413 V CA -1.753 60.512 62.300 -0.057 0.000 0.872 413 V CB 0.888 32.688 31.823 -0.038 0.000 0.998 413 V HN 0.351 nan 8.190 nan 0.000 0.423 414 W N 3.587 124.843 121.300 -0.074 0.000 2.844 414 W HA 0.733 5.393 4.660 0.000 0.000 0.340 414 W C -2.717 173.801 176.519 -0.002 0.000 1.093 414 W CA -2.508 54.818 57.345 -0.032 0.000 1.212 414 W CB 1.813 31.273 29.460 -0.000 0.000 1.422 414 W HN 0.344 nan 8.180 nan 0.000 0.515 415 P HA 0.072 nan 4.420 nan 0.000 0.271 415 P C 0.842 178.292 177.300 0.249 0.000 1.226 415 P CA 0.390 63.611 63.100 0.202 0.000 0.765 415 P CB 0.815 32.609 31.700 0.157 0.000 0.835 416 T N 2.800 117.459 114.554 0.175 0.000 2.699 416 T HA -0.234 4.116 4.350 0.000 0.000 0.268 416 T C 1.769 176.573 174.700 0.172 0.000 1.036 416 T CA 1.765 63.959 62.100 0.158 0.000 1.147 416 T CB -0.350 68.575 68.868 0.096 0.000 0.862 416 T HN 0.432 nan 8.240 nan 0.000 0.446 417 R N 1.469 122.054 120.500 0.141 0.000 2.091 417 R HA -0.098 4.242 4.340 0.000 0.000 0.238 417 R C 2.113 178.500 176.300 0.144 0.000 1.136 417 R CA 1.845 58.016 56.100 0.119 0.000 0.959 417 R CB -0.384 29.973 30.300 0.095 0.000 0.856 417 R HN 0.473 nan 8.270 nan 0.000 0.437 418 E N -1.176 119.150 120.200 0.209 0.000 2.152 418 E HA -0.202 4.148 4.350 0.000 0.000 0.192 418 E C 1.566 178.351 176.600 0.307 0.000 0.983 418 E CA 1.134 57.700 56.400 0.277 0.000 0.818 418 E CB -0.200 29.707 29.700 0.344 0.000 0.758 418 E HN 0.432 nan 8.360 nan 0.000 0.467 419 Y N 1.526 121.869 120.300 0.072 0.000 2.220 419 Y HA -0.179 4.371 4.550 0.000 0.000 0.291 419 Y C 2.355 178.158 175.900 -0.161 0.000 1.129 419 Y CA 1.629 59.480 58.100 -0.414 0.000 1.161 419 Y CB -0.337 37.727 38.460 -0.660 0.000 0.997 419 Y HN -0.112 nan 8.280 nan 0.000 0.522 420 T N 0.432 114.951 114.554 -0.059 0.000 2.684 420 T HA -0.189 4.161 4.350 0.000 0.000 0.267 420 T C 1.328 175.980 174.700 -0.081 0.000 1.036 420 T CA 1.765 63.812 62.100 -0.090 0.000 1.148 420 T CB -0.397 68.483 68.868 0.020 0.000 0.863 420 T HN 0.357 nan 8.240 nan 0.000 0.436 421 D N 0.436 120.843 120.400 0.012 0.000 2.123 421 D HA -0.067 4.573 4.640 0.000 0.000 0.196 421 D C 1.664 178.012 176.300 0.080 0.000 0.992 421 D CA 0.734 54.768 54.000 0.057 0.000 0.833 421 D CB -0.501 40.358 40.800 0.097 0.000 0.954 421 D HN 0.367 nan 8.370 nan 0.000 0.455 422 F N 1.800 121.693 119.950 -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 1.444 59.403 58.000 -0.070 0.000 1.232 422 F CB -0.085 38.792 39.000 -0.204 0.000 0.987 422 F HN -0.204 nan 8.300 nan 0.000 0.475 423 R N 0.370 120.652 120.500 -0.363 0.000 2.096 423 R HA -0.242 4.098 4.340 0.000 0.000 0.240 423 R C 2.363 178.535 176.300 -0.213 0.000 1.139 423 R CA 2.176 58.070 56.100 -0.345 0.000 0.952 423 R CB -0.793 29.300 30.300 -0.344 0.000 0.854 423 R HN 0.637 nan 8.270 nan 0.000 0.436 424 E N -0.607 119.509 120.200 -0.139 0.000 2.216 424 E HA -0.202 4.148 4.350 0.000 0.000 0.192 424 E C 1.648 178.196 176.600 -0.086 0.000 0.988 424 E CA 0.787 57.124 56.400 -0.104 0.000 0.834 424 E CB -0.294 29.372 29.700 -0.058 0.000 0.772 424 E HN 0.415 nan 8.360 nan 0.000 0.479 425 Y N 1.088 121.294 120.300 -0.157 0.000 2.130 425 Y HA -0.029 4.521 4.550 0.000 0.000 0.287 425 Y C 1.109 176.925 175.900 -0.140 0.000 1.124 425 Y CA 0.953 58.986 58.100 -0.112 0.000 1.118 425 Y CB -0.258 38.178 38.460 -0.041 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 -0.280 0.000 2.521 426 F HA -0.004 4.523 4.527 0.000 0.000 0.298 426 F C 1.014 176.637 175.800 -0.296 0.000 1.289 426 F CA 0.196 57.973 58.000 -0.371 0.000 1.315 426 F CB 0.200 38.780 39.000 -0.700 0.000 1.257 426 F HN 0.134 nan 8.300 nan 0.000 0.541 427 M N 2.139 120.773 119.600 -1.609 0.000 2.212 427 M HA -0.258 4.222 4.480 0.000 0.000 0.193 427 M C 0.273 176.258 176.300 -0.525 0.000 0.493 427 M CA 0.762 55.429 55.300 -1.054 0.000 0.427 427 M CB -1.117 31.079 32.600 -0.673 0.000 1.120 427 M HN 0.807 nan 8.290 nan 0.000 0.929 428 E N -1.087 118.839 120.200 -0.458 0.000 2.474 428 E HA 0.183 4.533 4.350 0.000 0.000 0.195 428 E C -0.031 176.422 176.600 -0.244 0.000 1.039 428 E CA 0.133 56.352 56.400 -0.302 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 0.921 120.671 119.914 -0.273 0.000 2.483 429 V HA 0.573 4.693 4.120 0.000 0.000 0.297 429 V C -0.664 175.311 176.094 -0.199 0.000 1.027 429 V CA -0.605 61.574 62.300 -0.203 0.000 0.855 429 V CB 1.622 33.344 31.823 -0.167 0.000 0.995 429 V HN 0.067 nan 8.190 nan 0.000 0.424 430 A N 3.067 125.797 122.820 -0.149 0.000 2.839 430 A HA 0.471 4.791 4.320 0.000 0.000 0.303 430 A C -0.404 177.126 177.584 -0.090 0.000 1.181 430 A CA -0.309 51.657 52.037 -0.119 0.000 0.808 430 A CB 0.580 19.507 19.000 -0.121 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.371 122.723 120.400 -0.080 0.000 2.615 431 D HA 0.408 5.048 4.640 0.000 0.000 0.236 431 D C 1.154 177.423 176.300 -0.053 0.000 1.233 431 D CA 0.308 54.267 54.000 -0.068 0.000 0.829 431 D CB -0.484 40.274 40.800 -0.070 0.000 1.024 431 D HN 0.651 nan 8.370 nan 0.000 0.490 432 L N -1.492 119.703 121.223 -0.048 0.000 5.895 432 L HA -0.352 3.988 4.340 0.000 0.000 0.053 432 L C 0.616 177.465 176.870 -0.035 0.000 2.741 432 L CA 1.243 56.061 54.840 -0.037 0.000 1.500 432 L CB -1.649 40.391 42.059 -0.033 0.000 2.928 432 L HN 0.282 nan 8.230 nan 0.000 1.023 433 N N -0.388 118.294 118.700 -0.030 0.000 3.112 433 N HA 0.647 5.387 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 0.456 53.489 53.050 -0.028 0.000 0.790 433 N CB 0.489 38.962 38.487 -0.023 0.000 1.563 433 N HN 1.151 nan 8.380 nan 0.000 0.613 434 S N 1.050 116.734 115.700 -0.027 0.000 2.563 434 S HA 0.502 4.972 4.470 0.000 0.000 0.269 434 S C -1.247 173.342 174.600 -0.019 0.000 1.364 434 S CA -0.506 57.680 58.200 -0.024 0.000 1.010 434 S CB -0.717 62.467 63.200 -0.026 0.000 0.877 434 S HN 0.585 nan 8.310 nan 0.000 0.549 435 P HA -0.094 nan 4.420 nan 0.000 0.041 435 P C 0.191 177.484 177.300 -0.012 0.000 0.590 435 P CA 0.554 63.646 63.100 -0.014 0.000 1.019 435 P CB -0.690 31.002 31.700 -0.013 0.000 1.776 436 L N 0.543 121.759 121.223 -0.012 0.000 2.127 436 L HA -0.107 4.233 4.340 0.000 0.000 0.203 436 L C 2.683 179.547 176.870 -0.009 0.000 1.080 436 L CA 1.647 56.481 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 -0.115 4.205 4.320 0.000 0.000 0.202 437 K C 1.525 178.120 176.600 -0.008 0.000 1.045 437 K CA 1.989 58.270 56.287 -0.009 0.000 0.936 437 K CB -0.824 31.670 32.500 -0.010 0.000 0.747 437 K HN 0.517 nan 8.250 nan 0.000 0.467 438 I N -1.847 118.718 120.570 -0.008 0.000 4.439 438 I HA 0.224 4.394 4.170 0.000 0.000 0.331 438 I C 2.416 178.529 176.117 -0.007 0.000 1.345 438 I CA 0.418 61.714 61.300 -0.008 0.000 1.193 438 I CB 0.743 38.738 38.000 -0.008 0.000 1.221 438 I HN 0.219 nan 8.210 nan 0.000 0.429 439 A N 1.632 124.448 122.820 -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 2.138 54.171 52.037 -0.006 0.000 0.673 439 A CB -1.173 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