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_J DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPXXX XXLNGTINAV TFQGSLSELT DVSYNGLMSA TANINDKIGN DATA SEQUENCE VLVGEGVTVL SLPTSYDLGY VRLGDPIPAI GLDPKMVATC DSSDRPRVYT DATA SEQUENCE ITAADDYQFS SQYQPGGVTI TLFSANIDAI TSLSVGGELV FRTSVHGLVL DATA SEQUENCE GATIYLIGFD GTTVITRAVA ANNGLTTGTD NLMPFNLVIP TNEITQPITS DATA SEQUENCE IKLEIVTSKS GGQAGDQMSW SARGSLAVTI HGGNYPGALR PVTLVAYERV DATA SEQUENCE ATGSVVTVAG VSNFELIPNP ELAKNLVTEY GRFDPGAMNY TKLILSERDR DATA SEQUENCE LGIKTVWPTR EYTDFREYFM EVADLNSPLK IAG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.624 174.700 -0.127 0.000 1.109 8 T CA 0.000 62.013 62.100 -0.145 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 -0.001 0.000 0.269 9 Q C 0.652 176.581 176.000 -0.118 0.000 1.030 9 Q CA 0.686 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 0.468 120.206 119.800 -0.103 0.000 2.363 10 Q HA -0.279 4.061 4.340 -0.001 0.000 0.409 10 Q C 1.130 177.053 176.000 -0.129 0.000 1.118 10 Q CA 4.476 60.217 55.803 -0.103 0.000 0.966 10 Q CB -2.621 26.068 28.738 -0.082 0.000 1.795 10 Q HN 2.312 nan 8.270 nan 0.000 0.941 11 I N -6.416 114.083 120.570 -0.120 0.000 3.519 11 I HA 0.730 4.900 4.170 -0.001 0.000 0.314 11 I C -0.601 175.446 176.117 -0.116 0.000 1.273 11 I CA -0.589 60.632 61.300 -0.131 0.000 1.108 11 I CB 1.739 39.668 38.000 -0.118 0.000 1.212 11 I HN 0.654 nan 8.210 nan 0.000 0.420 12 V N 1.735 121.611 119.914 -0.064 0.000 2.419 12 V HA 0.291 4.411 4.120 -0.001 0.000 0.287 12 V C -1.867 174.262 176.094 0.058 0.000 1.017 12 V CA -1.094 61.187 62.300 -0.032 0.000 0.844 12 V CB 1.092 32.874 31.823 -0.068 0.000 1.011 12 V HN 0.536 nan 8.190 nan 0.000 0.429 13 P HA -0.257 nan 4.420 nan 0.000 0.219 13 P C 1.582 178.957 177.300 0.125 0.000 1.158 13 P CA 1.687 64.835 63.100 0.080 0.000 0.895 13 P CB 0.116 31.864 31.700 0.081 0.000 0.792 14 F N -0.343 119.624 119.950 0.029 0.000 2.102 14 F HA -0.165 4.362 4.527 -0.001 0.000 0.298 14 F C 2.047 177.888 175.800 0.068 0.000 1.105 14 F CA 1.292 59.310 58.000 0.030 0.000 1.239 14 F CB -0.734 38.260 39.000 -0.010 0.000 0.991 14 F HN -0.235 nan 8.300 nan 0.000 0.474 15 I N 0.662 121.238 120.570 0.010 0.000 2.208 15 I HA -0.285 3.885 4.170 -0.001 0.000 0.245 15 I C 2.585 178.691 176.117 -0.019 0.000 1.097 15 I CA 1.436 62.728 61.300 -0.014 0.000 1.363 15 I CB -1.311 36.846 38.000 0.261 0.000 1.051 15 I HN 0.213 nan 8.210 nan 0.000 0.413 16 R N 0.271 120.835 120.500 0.107 0.000 2.083 16 R HA -0.198 4.142 4.340 -0.001 0.000 0.237 16 R C 2.596 178.911 176.300 0.025 0.000 1.137 16 R CA 2.142 58.336 56.100 0.156 0.000 0.951 16 R CB -0.235 30.134 30.300 0.115 0.000 0.851 16 R HN 0.229 nan 8.270 nan 0.000 0.434 17 S N 0.066 115.723 115.700 -0.072 0.000 2.368 17 S HA -0.116 4.354 4.470 -0.001 0.000 0.224 17 S C 1.845 176.332 174.600 -0.189 0.000 1.029 17 S CA 1.121 59.257 58.200 -0.106 0.000 0.988 17 S CB -0.245 62.902 63.200 -0.089 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.302 122.291 121.223 -0.390 0.000 2.027 18 L HA 0.137 4.477 4.340 -0.001 0.000 0.206 18 L C 1.962 178.756 176.870 -0.127 0.000 1.074 18 L CA 1.799 56.428 54.840 -0.352 0.000 0.745 18 L CB -0.445 41.279 42.059 -0.559 0.000 0.898 18 L HN 0.373 nan 8.230 nan 0.000 0.433 19 L N -1.526 119.644 121.223 -0.089 0.000 2.375 19 L HA 0.082 4.422 4.340 -0.001 0.000 0.215 19 L C 0.679 177.633 176.870 0.139 0.000 1.108 19 L CA 0.319 55.174 54.840 0.025 0.000 0.830 19 L CB 0.001 41.991 42.059 -0.115 0.000 0.959 19 L HN 0.237 nan 8.230 nan 0.000 0.457 20 M N -0.535 119.123 119.600 0.096 0.000 2.389 20 M HA 0.239 4.718 4.480 -0.001 0.000 0.206 20 M C -1.981 174.359 176.300 0.067 0.000 0.976 20 M CA -1.276 54.106 55.300 0.137 0.000 0.648 20 M CB 1.600 34.275 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 1.361 178.661 177.300 0.001 0.000 1.146 21 P CA 1.466 64.559 63.100 -0.013 0.000 0.808 21 P CB -0.176 31.495 31.700 -0.048 0.000 0.779 22 T N -5.711 108.856 114.554 0.022 0.000 3.051 22 T HA -0.080 4.269 4.350 -0.001 0.000 0.269 22 T C 1.700 176.415 174.700 0.024 0.000 1.127 22 T CA 1.389 63.502 62.100 0.022 0.000 1.107 22 T CB -1.432 67.457 68.868 0.034 0.000 0.898 22 T HN 0.016 nan 8.240 nan 0.000 0.517 23 T N 0.852 115.422 114.554 0.027 0.000 3.023 23 T HA 0.451 4.801 4.350 -0.001 0.000 0.266 23 T C 0.930 175.644 174.700 0.023 0.000 1.093 23 T CA 1.054 63.168 62.100 0.024 0.000 1.129 23 T CB -0.665 68.221 68.868 0.030 0.000 0.899 23 T HN 0.992 nan 8.240 nan 0.000 0.491 24 G N 1.330 110.143 108.800 0.022 0.000 2.408 24 G HA2 0.075 4.034 3.960 -0.001 0.000 0.682 24 G HA3 0.075 4.034 3.960 -0.001 0.000 0.682 24 G C -3.333 171.585 174.900 0.031 0.000 1.303 24 G CA -0.958 44.160 45.100 0.030 0.000 0.966 24 G HN 0.075 nan 8.290 nan 0.000 0.560 25 P HA 0.721 nan 4.420 nan 0.000 0.283 25 P C -0.457 176.904 177.300 0.102 0.000 1.271 25 P CA 0.186 63.327 63.100 0.068 0.000 0.841 25 P CB 1.985 33.738 31.700 0.088 0.000 1.122 26 A N 0.505 123.416 122.820 0.151 0.000 2.572 26 A HA 0.601 4.921 4.320 -0.001 0.000 0.295 26 A C -0.527 177.212 177.584 0.258 0.000 1.072 26 A CA -0.540 51.618 52.037 0.203 0.000 0.691 26 A CB 0.724 19.860 19.000 0.226 0.000 1.291 26 A HN 0.382 nan 8.150 nan 0.000 0.404 27 S N 0.786 116.623 115.700 0.228 0.000 2.549 27 S HA 0.364 4.833 4.470 -0.001 0.000 0.279 27 S C 0.294 174.876 174.600 -0.030 0.000 1.321 27 S CA -0.160 58.145 58.200 0.175 0.000 1.054 27 S CB 0.076 63.445 63.200 0.281 0.000 0.899 27 S HN 0.462 nan 8.310 nan 0.000 0.497 28 I N 4.923 125.362 120.570 -0.219 0.000 2.598 28 I HA 0.108 4.278 4.170 -0.001 0.000 0.284 28 I C -1.563 174.218 176.117 -0.559 0.000 1.140 28 I CA -1.418 59.456 61.300 -0.709 0.000 1.420 28 I CB 0.400 38.087 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 -1.048 176.089 177.300 -0.271 0.000 1.807 29 P CA -0.266 62.621 63.100 -0.354 0.000 0.921 29 P CB -0.404 31.111 31.700 -0.309 0.000 1.835 30 D N -1.017 119.237 120.400 -0.245 0.000 2.541 30 D HA 0.120 4.760 4.640 -0.001 0.000 0.276 30 D C 0.446 176.726 176.300 -0.032 0.000 1.190 30 D CA -0.365 53.561 54.000 -0.124 0.000 1.095 30 D CB -0.008 40.730 40.800 -0.103 0.000 1.173 30 D HN -0.176 nan 8.370 nan 0.000 0.604 31 D N -1.346 119.055 120.400 0.002 0.000 2.349 31 D HA 0.041 4.680 4.640 -0.001 0.000 0.214 31 D C -0.009 176.318 176.300 0.046 0.000 1.063 31 D CA 0.318 54.331 54.000 0.022 0.000 0.847 31 D CB 0.080 40.892 40.800 0.019 0.000 0.933 31 D HN 0.274 nan 8.370 nan 0.000 0.513 32 T N 2.120 116.711 114.554 0.063 0.000 4.104 32 T HA 0.178 4.528 4.350 -0.001 0.000 0.285 32 T C 0.897 175.700 174.700 0.172 0.000 1.346 32 T CA -0.093 62.078 62.100 0.118 0.000 1.158 32 T CB -0.334 68.614 68.868 0.134 0.000 1.290 32 T HN 0.033 nan 8.240 nan 0.000 0.975 33 L N 3.404 124.719 121.223 0.153 0.000 2.404 33 L HA 0.254 4.594 4.340 -0.001 0.000 0.277 33 L C 0.773 177.852 176.870 0.348 0.000 1.184 33 L CA 0.050 55.032 54.840 0.236 0.000 1.013 33 L CB -0.085 42.029 42.059 0.091 0.000 1.318 33 L HN 0.379 nan 8.230 nan 0.000 0.435 34 E N 2.937 123.330 120.200 0.320 0.000 2.207 34 E HA 0.315 4.665 4.350 -0.001 0.000 0.270 34 E C -0.603 176.015 176.600 0.031 0.000 0.927 34 E CA -0.956 55.502 56.400 0.096 0.000 0.799 34 E CB 2.430 31.967 29.700 -0.273 0.000 1.172 34 E HN 0.318 nan 8.360 nan 0.000 0.404 35 K N 3.472 123.639 120.400 -0.387 0.000 2.412 35 K HA 0.047 4.367 4.320 -0.001 0.000 0.284 35 K C 0.229 176.745 176.600 -0.140 0.000 1.046 35 K CA 0.322 56.323 56.287 -0.476 0.000 0.999 35 K CB 0.135 32.306 32.500 -0.548 0.000 0.941 35 K HN 0.523 nan 8.250 nan 0.000 0.474 36 H N -0.225 118.782 119.070 -0.105 0.000 2.959 36 H HA 0.484 5.040 4.556 -0.001 0.000 0.296 36 H C -1.076 174.284 175.328 0.053 0.000 1.421 36 H CA -0.801 55.259 56.048 0.019 0.000 1.206 36 H CB 1.932 31.798 29.762 0.173 0.000 1.891 36 H HN 0.402 nan 8.280 nan 0.000 0.573 37 T N 0.597 115.266 114.554 0.192 0.000 2.906 37 T HA 0.541 4.891 4.350 -0.001 0.000 0.295 37 T C -0.893 173.947 174.700 0.233 0.000 1.061 37 T CA -0.738 61.436 62.100 0.123 0.000 1.000 37 T CB 1.112 70.058 68.868 0.130 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.500 124.829 121.223 0.177 0.000 2.307 38 L HA 0.742 5.081 4.340 -0.001 0.000 0.284 38 L C 0.030 176.982 176.870 0.135 0.000 1.023 38 L CA -0.745 54.208 54.840 0.188 0.000 0.810 38 L CB 1.590 43.756 42.059 0.179 0.000 1.231 38 L HN 0.506 nan 8.230 nan 0.000 0.423 39 R N 0.897 121.483 120.500 0.142 0.000 2.771 39 R HA 0.602 4.942 4.340 -0.001 0.000 0.274 39 R C -1.294 175.120 176.300 0.189 0.000 0.987 39 R CA -0.471 55.712 56.100 0.140 0.000 0.908 39 R CB 2.498 32.849 30.300 0.084 0.000 1.213 39 R HN 0.520 nan 8.270 nan 0.000 0.468 40 S N 1.170 116.965 115.700 0.158 0.000 2.501 40 S HA 0.500 4.970 4.470 -0.001 0.000 0.301 40 S C -1.116 173.597 174.600 0.189 0.000 1.096 40 S CA -0.847 57.444 58.200 0.151 0.000 1.063 40 S CB 1.478 64.731 63.200 0.088 0.000 1.042 40 S HN 0.316 nan 8.310 nan 0.000 0.494 41 E N 2.336 122.679 120.200 0.238 0.000 2.224 41 E HA 0.337 4.686 4.350 -0.001 0.000 0.265 41 E C -0.409 176.289 176.600 0.163 0.000 0.878 41 E CA -0.494 56.038 56.400 0.219 0.000 0.759 41 E CB 2.028 31.913 29.700 0.308 0.000 1.164 41 E HN 0.725 nan 8.360 nan 0.000 0.414 42 T N -0.557 114.062 114.554 0.110 0.000 2.882 42 T HA 0.504 4.853 4.350 -0.001 0.000 0.287 42 T C 0.315 175.068 174.700 0.089 0.000 1.014 42 T CA -0.610 61.536 62.100 0.077 0.000 1.049 42 T CB 0.967 69.859 68.868 0.040 0.000 1.001 42 T HN 0.116 nan 8.240 nan 0.000 0.525 43 S N 1.329 117.081 115.700 0.087 0.000 2.561 43 S HA 0.669 5.139 4.470 -0.001 0.000 0.303 43 S C -0.316 174.307 174.600 0.038 0.000 1.110 43 S CA -0.921 57.349 58.200 0.118 0.000 1.034 43 S CB 1.406 64.757 63.200 0.251 0.000 1.010 43 S HN 1.069 nan 8.310 nan 0.000 0.482 44 T N 1.168 115.619 114.554 -0.171 0.000 2.881 44 T HA 0.716 5.066 4.350 -0.001 0.000 0.291 44 T C -1.315 173.078 174.700 -0.513 0.000 0.990 44 T CA -0.521 61.461 62.100 -0.198 0.000 0.976 44 T CB 0.424 69.202 68.868 -0.150 0.000 0.970 44 T HN 0.421 nan 8.240 nan 0.000 0.438 45 Y N 1.458 121.763 120.300 0.008 0.000 2.492 45 Y HA 0.552 5.102 4.550 -0.001 0.000 0.346 45 Y C -0.177 175.698 175.900 -0.041 0.000 0.997 45 Y CA -1.231 56.860 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 3.949 122.704 118.700 0.092 0.000 2.621 46 N HA 0.382 5.121 4.740 -0.001 0.000 0.237 46 N C -1.305 174.210 175.510 0.009 0.000 0.997 46 N CA -0.297 52.768 53.050 0.024 0.000 0.918 46 N CB 0.935 39.424 38.487 0.003 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.957 122.142 121.223 -0.062 0.000 2.350 47 L HA 0.427 4.766 4.340 -0.001 0.000 0.275 47 L C 0.721 177.550 176.870 -0.068 0.000 1.099 47 L CA -0.395 54.373 54.840 -0.120 0.000 0.808 47 L CB 0.799 42.597 42.059 -0.435 0.000 1.149 47 L HN 0.172 nan 8.230 nan 0.000 0.442 48 T N 1.833 116.399 114.554 0.020 0.000 2.799 48 T HA 0.339 4.689 4.350 -0.001 0.000 0.286 48 T C 0.086 174.852 174.700 0.110 0.000 0.973 48 T CA -0.484 61.641 62.100 0.042 0.000 1.035 48 T CB 1.671 70.565 68.868 0.044 0.000 0.932 48 T HN 0.205 nan 8.240 nan 0.000 0.469 49 V N 3.464 123.426 119.914 0.080 0.000 2.555 49 V HA 0.460 4.580 4.120 -0.001 0.000 0.286 49 V C 1.217 177.391 176.094 0.132 0.000 1.044 49 V CA -0.267 62.126 62.300 0.155 0.000 1.026 49 V CB 1.025 32.912 31.823 0.107 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.352 111.245 108.800 0.154 0.000 2.535 50 G HA2 0.173 4.132 3.960 -0.001 0.000 0.282 50 G HA3 0.173 4.132 3.960 -0.001 0.000 0.282 50 G C 0.542 175.477 174.900 0.059 0.000 1.350 50 G CA -0.233 44.918 45.100 0.086 0.000 1.039 50 G HN 0.674 nan 8.290 nan 0.000 0.509 51 D N -0.511 119.907 120.400 0.030 0.000 2.158 51 D HA -0.151 4.489 4.640 -0.001 0.000 0.197 51 D C 2.798 179.103 176.300 0.007 0.000 0.995 51 D CA 2.104 56.112 54.000 0.014 0.000 0.846 51 D CB -0.262 40.538 40.800 0.001 0.000 0.941 51 D HN 0.449 nan 8.370 nan 0.000 0.456 52 T N -3.590 110.963 114.554 -0.001 0.000 3.088 52 T HA 0.222 4.572 4.350 -0.001 0.000 0.259 52 T C 1.667 176.365 174.700 -0.003 0.000 1.122 52 T CA 0.852 62.939 62.100 -0.021 0.000 1.095 52 T CB 0.149 68.982 68.868 -0.058 0.000 0.930 52 T HN 0.218 nan 8.240 nan 0.000 0.508 53 G N 0.222 109.049 108.800 0.045 0.000 2.160 53 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.251 53 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.251 53 G C 0.043 175.028 174.900 0.140 0.000 1.008 53 G CA 0.289 45.447 45.100 0.095 0.000 0.724 53 G HN 1.000 nan 8.290 nan 0.000 0.514 54 S N -1.331 114.406 115.700 0.061 0.000 2.546 54 S HA 0.931 5.400 4.470 -0.001 0.000 0.274 54 S C 0.102 174.488 174.600 -0.356 0.000 1.121 54 S CA 0.717 58.823 58.200 -0.156 0.000 0.887 54 S CB 1.850 64.954 63.200 -0.159 0.000 1.094 54 S HN 1.936 nan 8.310 nan 0.000 0.474 55 G N 1.096 109.362 108.800 -0.890 0.000 2.488 55 G HA2 0.561 4.520 3.960 -0.001 0.000 0.301 55 G HA3 0.561 4.520 3.960 -0.001 0.000 0.301 55 G C -2.478 172.167 174.900 -0.425 0.000 1.339 55 G CA -0.522 44.220 45.100 -0.596 0.000 0.803 55 G HN 1.005 nan 8.290 nan 0.000 0.482 56 L N -0.128 121.129 121.223 0.057 0.000 2.464 56 L HA 0.779 5.118 4.340 -0.001 0.000 0.266 56 L C -1.215 175.768 176.870 0.188 0.000 0.965 56 L CA -0.650 54.254 54.840 0.107 0.000 0.833 56 L CB 1.791 43.846 42.059 -0.006 0.000 1.296 56 L HN 0.520 nan 8.230 nan 0.000 0.405 57 I N 5.357 125.972 120.570 0.074 0.000 2.339 57 I HA 0.444 4.614 4.170 -0.001 0.000 0.290 57 I C -0.650 175.229 176.117 -0.398 0.000 0.994 57 I CA -0.908 60.286 61.300 -0.177 0.000 1.191 57 I CB 1.843 39.627 38.000 -0.359 0.000 1.343 57 I HN 0.255 nan 8.210 nan 0.000 0.458 58 V N 7.299 126.934 119.914 -0.464 0.000 2.350 58 V HA 0.362 4.481 4.120 -0.001 0.000 0.276 58 V C -0.273 175.341 176.094 -0.801 0.000 1.028 58 V CA -0.325 61.640 62.300 -0.557 0.000 0.860 58 V CB 0.819 32.336 31.823 -0.511 0.000 0.990 58 V HN 0.404 nan 8.190 nan 0.000 0.453 59 F N 4.092 123.767 119.950 -0.458 0.000 2.458 59 F HA 0.583 5.110 4.527 -0.001 0.000 0.330 59 F C -0.016 175.461 175.800 -0.538 0.000 1.082 59 F CA -0.626 57.123 58.000 -0.417 0.000 0.995 59 F CB 1.755 40.663 39.000 -0.153 0.000 1.170 59 F HN 0.366 nan 8.300 nan 0.000 0.478 60 F N 3.623 123.746 119.950 0.288 0.000 2.334 60 F HA 0.280 4.807 4.527 -0.001 0.000 0.343 60 F C -1.638 174.307 175.800 0.241 0.000 1.136 60 F CA -1.815 56.325 58.000 0.235 0.000 1.237 60 F CB 0.249 39.381 39.000 0.220 0.000 1.525 60 F HN 0.268 nan 8.300 nan 0.000 0.528 61 P HA -0.132 nan 4.420 nan 0.000 0.219 61 P C 1.386 178.791 177.300 0.174 0.000 1.146 61 P CA 1.243 64.436 63.100 0.154 0.000 0.808 61 P CB 0.319 32.063 31.700 0.074 0.000 0.779 62 G N -1.689 107.247 108.800 0.226 0.000 3.337 62 G HA2 0.048 4.007 3.960 -0.001 0.000 0.246 62 G HA3 0.048 4.007 3.960 -0.001 0.000 0.246 62 G C -0.162 174.892 174.900 0.257 0.000 1.131 62 G CA -0.388 44.824 45.100 0.186 0.000 0.773 62 G HN 0.152 nan 8.290 nan 0.000 0.544 63 F N 3.172 123.255 119.950 0.223 0.000 2.571 63 F HA 0.286 4.813 4.527 -0.001 0.000 0.384 63 F C -1.601 174.349 175.800 0.249 0.000 1.058 63 F CA -2.445 55.688 58.000 0.222 0.000 1.200 63 F CB 1.109 40.243 39.000 0.224 0.000 1.077 63 F HN -0.054 nan 8.300 nan 0.000 0.558 64 P HA 0.320 nan 4.420 nan 0.000 0.238 64 P C -0.053 177.177 177.300 -0.115 0.000 1.794 64 P CA 0.354 63.401 63.100 -0.089 0.000 1.088 64 P CB 0.239 31.806 31.700 -0.222 0.000 1.923 65 G N 0.435 109.425 108.800 0.318 0.000 2.368 65 G HA2 0.000 3.960 3.960 -0.001 0.000 0.269 65 G HA3 0.000 3.960 3.960 -0.001 0.000 0.269 65 G C 0.217 175.374 174.900 0.430 0.000 1.291 65 G CA -0.351 44.900 45.100 0.252 0.000 0.903 65 G HN -0.040 nan 8.290 nan 0.000 0.483 66 S N -0.425 115.457 115.700 0.302 0.000 2.593 66 S HA 0.295 4.765 4.470 -0.001 0.000 0.217 66 S C 0.928 175.619 174.600 0.152 0.000 0.966 66 S CA 0.062 58.380 58.200 0.196 0.000 0.914 66 S CB -0.254 63.010 63.200 0.107 0.000 0.776 66 S HN 0.349 nan 8.310 nan 0.000 0.523 67 I N 1.317 121.871 120.570 -0.026 0.000 2.337 67 I HA 0.147 4.317 4.170 -0.001 0.000 0.291 67 I C 0.833 176.928 176.117 -0.037 0.000 1.046 67 I CA -0.126 61.006 61.300 -0.280 0.000 1.324 67 I CB 1.450 38.911 38.000 -0.898 0.000 1.409 67 I HN -0.059 nan 8.210 nan 0.000 0.494 68 V N 5.318 125.334 119.914 0.169 0.000 2.922 68 V HA 0.438 4.557 4.120 -0.001 0.000 0.242 68 V C 0.941 177.273 176.094 0.398 0.000 1.094 68 V CA 1.056 63.545 62.300 0.316 0.000 1.106 68 V CB 0.418 32.428 31.823 0.312 0.000 0.799 68 V HN 0.961 nan 8.190 nan 0.000 0.474 69 G N -1.116 107.833 108.800 0.249 0.000 2.348 69 G HA2 0.660 4.619 3.960 -0.001 0.000 0.296 69 G HA3 0.660 4.619 3.960 -0.001 0.000 0.296 69 G C -1.839 173.032 174.900 -0.048 0.000 1.258 69 G CA 0.155 45.245 45.100 -0.016 0.000 0.868 69 G HN 0.656 nan 8.290 nan 0.000 0.488 70 A N -0.620 122.070 122.820 -0.217 0.000 2.549 70 A HA 0.792 5.111 4.320 -0.001 0.000 0.297 70 A C -1.281 176.132 177.584 -0.285 0.000 1.061 70 A CA -0.443 51.497 52.037 -0.162 0.000 0.690 70 A CB 1.549 20.564 19.000 0.024 0.000 1.287 70 A HN 1.203 nan 8.150 nan 0.000 0.402 71 H N 1.217 119.989 119.070 -0.497 0.000 2.466 71 H HA 0.644 5.200 4.556 -0.001 0.000 0.338 71 H C -1.802 173.228 175.328 -0.497 0.000 1.091 71 H CA -0.286 55.529 56.048 -0.388 0.000 1.207 71 H CB 0.904 30.487 29.762 -0.298 0.000 1.466 71 H HN 0.612 nan 8.280 nan 0.000 0.493 72 Y N 2.131 122.216 120.300 -0.360 0.000 2.425 72 Y HA 0.171 4.721 4.550 -0.001 0.000 0.344 72 Y C 0.456 176.187 175.900 -0.281 0.000 0.969 72 Y CA -0.825 57.145 58.100 -0.217 0.000 1.052 72 Y CB 2.135 40.661 38.460 0.111 0.000 1.215 72 Y HN 0.581 nan 8.280 nan 0.000 0.451 73 T N 0.562 115.068 114.554 -0.079 0.000 2.922 73 T HA 0.572 4.922 4.350 -0.001 0.000 0.285 73 T C -0.760 173.981 174.700 0.068 0.000 1.005 73 T CA -0.755 61.341 62.100 -0.006 0.000 1.061 73 T CB 1.399 70.257 68.868 -0.017 0.000 1.007 73 T HN 0.460 nan 8.240 nan 0.000 0.502 74 L N 1.864 123.052 121.223 -0.059 0.000 2.334 74 L HA 0.447 4.787 4.340 -0.001 0.000 0.277 74 L C -0.058 176.711 176.870 -0.167 0.000 1.075 74 L CA -0.034 54.648 54.840 -0.264 0.000 0.804 74 L CB 1.149 42.991 42.059 -0.362 0.000 1.174 74 L HN 0.761 nan 8.230 nan 0.000 0.438 75 Q N 2.360 122.047 119.800 -0.187 0.000 2.297 75 Q HA 0.357 4.697 4.340 -0.001 0.000 0.269 75 Q C 0.919 176.852 176.000 -0.112 0.000 1.051 75 Q CA -0.177 55.560 55.803 -0.110 0.000 0.869 75 Q CB 1.460 30.151 28.738 -0.077 0.000 1.346 75 Q HN 0.899 nan 8.270 nan 0.000 0.457 76 G N 1.646 110.401 108.800 -0.075 0.000 2.556 76 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.220 76 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.220 76 G C 0.884 175.738 174.900 -0.076 0.000 1.156 76 G CA 1.432 46.492 45.100 -0.067 0.000 0.766 76 G HN 0.844 nan 8.290 nan 0.000 0.583 77 N N 0.805 119.458 118.700 -0.077 0.000 2.515 77 N HA 0.132 4.872 4.740 -0.001 0.000 0.191 77 N C 1.556 177.004 175.510 -0.103 0.000 1.182 77 N CA 1.020 54.023 53.050 -0.078 0.000 0.879 77 N CB 0.061 38.509 38.487 -0.064 0.000 0.984 77 N HN 0.586 nan 8.380 nan 0.000 0.453 78 G N 0.420 109.136 108.800 -0.140 0.000 2.176 78 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.253 78 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.253 78 G C -0.212 174.536 174.900 -0.254 0.000 0.979 78 G CA -0.196 44.791 45.100 -0.188 0.000 0.641 78 G HN 0.429 nan 8.290 nan 0.000 0.530 79 N N -0.125 118.448 118.700 -0.211 0.000 2.515 79 N HA 0.552 5.291 4.740 -0.001 0.000 0.279 79 N C -0.076 175.277 175.510 -0.261 0.000 1.164 79 N CA -0.253 52.678 53.050 -0.199 0.000 0.982 79 N CB 0.442 38.868 38.487 -0.101 0.000 1.170 79 N HN 0.233 nan 8.380 nan 0.000 0.474 80 Y N 0.290 120.523 120.300 -0.112 0.000 2.301 80 Y HA 0.236 4.786 4.550 -0.001 0.000 0.328 80 Y C 1.014 176.947 175.900 0.055 0.000 1.242 80 Y CA 0.105 58.188 58.100 -0.028 0.000 1.323 80 Y CB 1.010 39.429 38.460 -0.070 0.000 1.266 80 Y HN 0.196 nan 8.280 nan 0.000 0.527 81 K N 3.281 123.869 120.400 0.314 0.000 2.471 81 K HA 0.253 4.573 4.320 -0.001 0.000 0.252 81 K C -1.437 175.369 176.600 0.343 0.000 0.938 81 K CA -0.802 55.646 56.287 0.268 0.000 0.796 81 K CB 0.894 33.466 32.500 0.121 0.000 1.161 81 K HN 0.559 nan 8.250 nan 0.000 0.425 82 F N 3.839 123.933 119.950 0.240 0.000 2.607 82 F HA -0.031 4.496 4.527 -0.001 0.000 0.374 82 F C 0.885 176.619 175.800 -0.111 0.000 1.104 82 F CA 0.693 58.685 58.000 -0.013 0.000 1.296 82 F CB 0.797 39.815 39.000 0.030 0.000 1.085 82 F HN 0.819 nan 8.300 nan 0.000 0.584 83 D N 2.333 122.139 120.400 -0.990 0.000 2.805 83 D HA 0.107 4.747 4.640 -0.001 0.000 0.271 83 D C -0.615 175.004 176.300 -1.134 0.000 1.166 83 D CA 0.920 54.461 54.000 -0.765 0.000 1.004 83 D CB 0.220 40.759 40.800 -0.434 0.000 1.136 83 D HN 0.676 nan 8.370 nan 0.000 0.444 84 Q N -0.883 118.153 119.800 -1.274 0.000 2.578 84 Q HA 0.322 4.661 4.340 -0.001 0.000 0.284 84 Q C -1.092 174.643 176.000 -0.441 0.000 0.960 84 Q CA -1.036 54.279 55.803 -0.812 0.000 0.809 84 Q CB 1.105 29.642 28.738 -0.334 0.000 1.462 84 Q HN -0.047 nan 8.270 nan 0.000 0.392 85 M N 1.802 121.390 119.600 -0.020 0.000 2.243 85 M HA 0.355 4.834 4.480 -0.001 0.000 0.341 85 M C -0.524 175.646 176.300 -0.216 0.000 1.130 85 M CA -0.011 55.301 55.300 0.020 0.000 1.162 85 M CB 0.010 32.676 32.600 0.110 0.000 1.497 85 M HN 0.615 nan 8.290 nan 0.000 0.456 86 L N 4.710 125.783 121.223 -0.250 0.000 2.272 86 L HA 0.551 4.891 4.340 -0.001 0.000 0.289 86 L C -0.444 176.420 176.870 -0.011 0.000 1.032 86 L CA -0.372 54.189 54.840 -0.465 0.000 0.810 86 L CB 0.658 42.486 42.059 -0.386 0.000 1.205 86 L HN 0.564 nan 8.230 nan 0.000 0.422 87 L N 1.287 122.652 121.223 0.236 0.000 2.279 87 L HA 0.570 4.909 4.340 -0.001 0.000 0.262 87 L C 0.522 177.598 176.870 0.343 0.000 1.019 87 L CA -0.799 54.208 54.840 0.278 0.000 0.823 87 L CB 1.921 44.116 42.059 0.227 0.000 1.358 87 L HN 0.383 nan 8.230 nan 0.000 0.432 88 T N 0.262 114.964 114.554 0.246 0.000 2.903 88 T HA 0.092 4.441 4.350 -0.001 0.000 0.314 88 T C 1.138 175.930 174.700 0.153 0.000 1.078 88 T CA 0.515 62.743 62.100 0.214 0.000 1.114 88 T CB 1.402 70.393 68.868 0.206 0.000 0.987 88 T HN 0.727 nan 8.240 nan 0.000 0.548 89 A N 2.658 125.544 122.820 0.111 0.000 1.908 89 A HA -0.069 4.251 4.320 -0.001 0.000 0.218 89 A C 1.030 178.651 177.584 0.062 0.000 1.181 89 A CA 1.456 53.526 52.037 0.055 0.000 0.627 89 A CB -0.367 18.658 19.000 0.041 0.000 0.818 89 A HN 0.851 nan 8.150 nan 0.000 0.445 90 Q N -1.523 118.325 119.800 0.080 0.000 2.433 90 Q HA 0.491 4.831 4.340 -0.001 0.000 0.279 90 Q C -1.216 174.830 176.000 0.076 0.000 1.105 90 Q CA -0.979 54.867 55.803 0.072 0.000 0.815 90 Q CB 0.782 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 1.604 120.343 118.700 0.065 0.000 2.415 91 N HA 0.131 4.871 4.740 -0.001 0.000 0.250 91 N C 0.486 176.033 175.510 0.061 0.000 1.127 91 N CA -0.010 53.075 53.050 0.060 0.000 0.945 91 N CB 0.314 38.831 38.487 0.049 0.000 1.196 91 N HN 0.766 nan 8.380 nan 0.000 0.499 92 L N 4.471 125.725 121.223 0.053 0.000 2.043 92 L HA -0.125 4.215 4.340 -0.001 0.000 0.212 92 L C -0.665 176.273 176.870 0.112 0.000 1.075 92 L CA 1.270 56.161 54.840 0.086 0.000 0.752 92 L CB -1.072 40.930 42.059 -0.096 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.130 nan 4.420 nan 0.000 0.228 93 P C 1.090 178.392 177.300 0.003 0.000 1.151 93 P CA 1.269 64.383 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 -1.289 121.534 122.820 0.006 0.000 2.119 94 A HA 0.006 4.326 4.320 -0.001 0.000 0.216 94 A C 2.010 179.548 177.584 -0.076 0.000 1.152 94 A CA 1.533 53.556 52.037 -0.024 0.000 0.708 94 A CB -0.551 18.442 19.000 -0.010 0.000 0.805 94 A HN 0.140 nan 8.150 nan 0.000 0.460 95 S N -2.773 112.857 115.700 -0.117 0.000 2.631 95 S HA 0.338 4.808 4.470 -0.001 0.000 0.246 95 S C -0.415 173.831 174.600 -0.590 0.000 1.068 95 S CA -0.240 57.739 58.200 -0.367 0.000 0.995 95 S CB 0.147 63.058 63.200 -0.482 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.041 121.327 120.300 -0.022 0.000 2.536 96 Y HA 0.523 5.072 4.550 -0.001 0.000 0.347 96 Y C 0.716 176.588 175.900 -0.047 0.000 1.000 96 Y CA -1.075 57.019 58.100 -0.011 0.000 1.051 96 Y CB 1.047 39.505 38.460 -0.003 0.000 1.259 96 Y HN -0.148 nan 8.280 nan 0.000 0.468 97 N N -0.032 118.738 118.700 0.115 0.000 2.407 97 N HA 0.085 4.825 4.740 -0.001 0.000 0.182 97 N C -1.155 174.153 175.510 -0.336 0.000 1.079 97 N CA 0.524 53.498 53.050 -0.127 0.000 0.882 97 N CB 0.445 38.851 38.487 -0.134 0.000 1.106 97 N HN 0.531 nan 8.380 nan 0.000 0.461 98 Y N -1.021 119.356 120.300 0.128 0.000 2.545 98 Y HA 0.548 5.097 4.550 -0.001 0.000 0.348 98 Y C -0.156 175.872 175.900 0.214 0.000 1.002 98 Y CA -1.157 57.038 58.100 0.159 0.000 1.039 98 Y CB 2.208 40.772 38.460 0.173 0.000 1.271 98 Y HN -0.109 nan 8.280 nan 0.000 0.467 99 C N 2.446 121.957 119.300 0.352 0.000 3.239 99 C HA 0.847 5.307 4.460 -0.001 0.000 0.329 99 C C -1.793 173.175 174.990 -0.036 0.000 1.252 99 C CA -0.718 58.382 59.018 0.137 0.000 1.323 99 C CB 1.815 29.546 27.740 -0.016 0.000 1.663 99 C HN 1.031 nan 8.230 nan 0.000 0.487 100 R N 2.683 123.142 120.500 -0.068 0.000 2.548 100 R HA 0.662 5.002 4.340 -0.001 0.000 0.280 100 R C -1.741 174.612 176.300 0.088 0.000 1.061 100 R CA -0.649 55.373 56.100 -0.130 0.000 0.915 100 R CB 1.684 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 4.705 126.001 121.223 0.121 0.000 2.319 101 L HA 0.227 4.566 4.340 -0.001 0.000 0.280 101 L C 0.147 177.037 176.870 0.034 0.000 1.099 101 L CA 0.390 55.256 54.840 0.045 0.000 0.828 101 L CB 1.607 43.705 42.059 0.065 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.553 122.445 119.914 -0.037 0.000 2.436 102 V HA 0.256 4.376 4.120 -0.001 0.000 0.240 102 V C 0.566 176.719 176.094 0.098 0.000 1.040 102 V CA 1.134 63.498 62.300 0.107 0.000 1.052 102 V CB 0.040 31.920 31.823 0.095 0.000 0.707 102 V HN 0.941 nan 8.190 nan 0.000 0.469 103 S N -0.301 115.363 115.700 -0.060 0.000 2.597 103 S HA 0.718 5.188 4.470 -0.001 0.000 0.274 103 S C -0.944 173.575 174.600 -0.135 0.000 1.132 103 S CA -0.914 57.241 58.200 -0.075 0.000 0.835 103 S CB 2.628 65.767 63.200 -0.100 0.000 1.092 103 S HN 0.486 nan 8.310 nan 0.000 0.457 104 R N 0.442 120.881 120.500 -0.103 0.000 2.579 104 R HA 0.669 5.008 4.340 -0.001 0.000 0.260 104 R C -1.694 174.535 176.300 -0.117 0.000 1.103 104 R CA -0.001 56.031 56.100 -0.114 0.000 0.942 104 R CB 1.705 31.945 30.300 -0.101 0.000 1.251 104 R HN 1.306 nan 8.270 nan 0.000 0.450 105 S N 3.999 119.618 115.700 -0.134 0.000 2.549 105 S HA 0.774 5.244 4.470 -0.001 0.000 0.280 105 S C -1.177 173.296 174.600 -0.211 0.000 1.109 105 S CA -0.801 57.282 58.200 -0.195 0.000 0.905 105 S CB 1.747 64.817 63.200 -0.217 0.000 1.081 105 S HN 0.434 nan 8.310 nan 0.000 0.477 106 L N 1.322 122.370 121.223 -0.291 0.000 2.409 106 L HA 0.683 5.023 4.340 -0.001 0.000 0.262 106 L C -0.296 176.441 176.870 -0.222 0.000 0.992 106 L CA -0.463 54.205 54.840 -0.287 0.000 0.817 106 L CB 2.732 44.444 42.059 -0.580 0.000 1.350 106 L HN 0.764 nan 8.230 nan 0.000 0.411 107 T N 1.452 115.941 114.554 -0.109 0.000 2.823 107 T HA 0.679 5.029 4.350 -0.001 0.000 0.279 107 T C -0.941 173.774 174.700 0.026 0.000 0.998 107 T CA -0.364 61.707 62.100 -0.048 0.000 0.994 107 T CB 1.655 70.505 68.868 -0.030 0.000 0.960 107 T HN 0.221 nan 8.240 nan 0.000 0.448 108 V N 5.773 125.718 119.914 0.052 0.000 2.443 108 V HA 0.680 4.800 4.120 -0.001 0.000 0.293 108 V C -0.200 175.920 176.094 0.043 0.000 1.021 108 V CA -0.844 61.504 62.300 0.079 0.000 0.848 108 V CB 1.315 33.230 31.823 0.153 0.000 0.998 108 V HN 0.912 nan 8.190 nan 0.000 0.424 109 R N 2.329 122.835 120.500 0.010 0.000 2.710 109 R HA 0.714 5.054 4.340 -0.001 0.000 0.270 109 R C -0.666 175.612 176.300 -0.036 0.000 1.021 109 R CA -0.641 55.459 56.100 -0.001 0.000 0.889 109 R CB 1.811 32.119 30.300 0.014 0.000 1.243 109 R HN 0.578 nan 8.270 nan 0.000 0.464 110 S N 0.114 115.791 115.700 -0.038 0.000 2.584 110 S HA 0.238 4.708 4.470 -0.001 0.000 0.273 110 S C 0.555 175.138 174.600 -0.028 0.000 1.311 110 S CA -0.008 58.161 58.200 -0.052 0.000 1.034 110 S CB 1.445 64.617 63.200 -0.047 0.000 0.939 110 S HN 0.844 nan 8.310 nan 0.000 0.513 111 S N 0.454 116.135 115.700 -0.031 0.000 2.649 111 S HA 0.294 4.764 4.470 -0.001 0.000 0.246 111 S C 0.209 174.800 174.600 -0.014 0.000 1.057 111 S CA -0.222 57.967 58.200 -0.018 0.000 1.051 111 S CB -0.017 63.173 63.200 -0.017 0.000 1.018 111 S HN 0.786 nan 8.310 nan 0.000 0.569 112 T N 2.871 117.414 114.554 -0.019 0.000 2.896 112 T HA 0.741 5.091 4.350 -0.001 0.000 0.297 112 T C -1.454 173.240 174.700 -0.010 0.000 1.108 112 T CA -0.863 61.230 62.100 -0.012 0.000 1.004 112 T CB 1.834 70.695 68.868 -0.012 0.000 1.159 112 T HN 0.377 nan 8.240 nan 0.000 0.499 113 L N 0.077 121.297 121.223 -0.005 0.000 2.385 113 L HA 0.821 5.161 4.340 -0.001 0.000 0.273 113 L C -2.244 174.626 176.870 -0.000 0.000 0.990 113 L CA -1.740 53.099 54.840 -0.002 0.000 0.821 113 L CB -0.180 41.880 42.059 0.000 0.000 1.279 113 L HN 0.378 nan 8.230 nan 0.000 0.412 121 N N 1.104 119.816 118.700 0.020 0.000 2.747 121 N HA 0.579 5.318 4.740 -0.001 0.000 0.262 121 N C 0.208 175.736 175.510 0.029 0.000 1.261 121 N CA 0.955 54.016 53.050 0.019 0.000 0.809 121 N CB 1.500 39.994 38.487 0.012 0.000 1.450 121 N HN 0.797 nan 8.380 nan 0.000 0.560 122 G N 1.226 110.044 108.800 0.030 0.000 2.804 122 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.230 122 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.230 122 G C -0.446 174.494 174.900 0.067 0.000 1.386 122 G CA -0.109 45.015 45.100 0.040 0.000 0.875 122 G HN 1.112 nan 8.290 nan 0.000 0.557 123 T N -2.494 112.115 114.554 0.091 0.000 2.883 123 T HA 0.765 5.114 4.350 -0.001 0.000 0.296 123 T C -0.240 174.646 174.700 0.310 0.000 1.117 123 T CA -0.685 61.515 62.100 0.168 0.000 1.006 123 T CB 2.150 71.126 68.868 0.180 0.000 1.191 123 T HN 1.053 nan 8.240 nan 0.000 0.508 124 I N 1.671 122.434 120.570 0.321 0.000 2.569 124 I HA 0.489 4.659 4.170 -0.001 0.000 0.296 124 I C -0.813 175.414 176.117 0.183 0.000 1.028 124 I CA -1.030 60.475 61.300 0.342 0.000 1.082 124 I CB 2.134 40.267 38.000 0.221 0.000 1.264 124 I HN 0.570 nan 8.210 nan 0.000 0.429 125 N N 3.851 122.515 118.700 -0.060 0.000 2.314 125 N HA 0.820 5.560 4.740 -0.001 0.000 0.304 125 N C -1.215 174.211 175.510 -0.139 0.000 1.073 125 N CA -0.494 52.383 53.050 -0.288 0.000 0.822 125 N CB 2.317 40.315 38.487 -0.816 0.000 1.280 125 N HN 0.706 nan 8.380 nan 0.000 0.489 126 A N 0.638 123.406 122.820 -0.087 0.000 2.515 126 A HA 0.798 5.118 4.320 -0.001 0.000 0.298 126 A C -1.172 176.387 177.584 -0.042 0.000 1.059 126 A CA -0.590 51.428 52.037 -0.032 0.000 0.698 126 A CB 1.007 20.024 19.000 0.028 0.000 1.289 126 A HN 0.387 nan 8.150 nan 0.000 0.404 127 V N -1.114 118.788 119.914 -0.020 0.000 3.049 127 V HA 0.809 4.929 4.120 -0.001 0.000 0.309 127 V C -0.306 175.808 176.094 0.033 0.000 1.148 127 V CA -0.723 61.574 62.300 -0.005 0.000 0.990 127 V CB 1.607 33.432 31.823 0.003 0.000 1.039 127 V HN 0.808 nan 8.190 nan 0.000 0.430 128 T N 3.766 118.341 114.554 0.035 0.000 2.758 128 T HA 0.607 4.957 4.350 -0.001 0.000 0.285 128 T C -0.936 173.834 174.700 0.116 0.000 0.981 128 T CA 0.082 62.220 62.100 0.063 0.000 0.965 128 T CB 0.765 69.641 68.868 0.013 0.000 0.927 128 T HN 0.663 nan 8.240 nan 0.000 0.448 129 F N 2.730 122.670 119.950 -0.018 0.000 2.436 129 F HA 0.346 4.872 4.527 -0.001 0.000 0.340 129 F C 0.820 176.621 175.800 0.002 0.000 1.113 129 F CA -0.949 57.043 58.000 -0.012 0.000 1.022 129 F CB 1.464 40.457 39.000 -0.012 0.000 1.128 129 F HN 0.461 nan 8.300 nan 0.000 0.466 130 Q N 4.599 124.016 119.800 -0.639 0.000 2.404 130 Q HA 0.314 4.653 4.340 -0.001 0.000 0.272 130 Q C 0.031 175.610 176.000 -0.701 0.000 0.939 130 Q CA -0.132 55.363 55.803 -0.513 0.000 0.945 130 Q CB 0.022 28.555 28.738 -0.341 0.000 1.195 130 Q HN 0.889 nan 8.270 nan 0.000 0.415 131 G N -0.625 107.647 108.800 -0.880 0.000 2.645 131 G HA2 0.383 4.343 3.960 -0.001 0.000 0.292 131 G HA3 0.383 4.343 3.960 -0.001 0.000 0.292 131 G C -0.897 174.092 174.900 0.148 0.000 1.415 131 G CA -0.646 44.209 45.100 -0.410 0.000 0.785 131 G HN 0.207 nan 8.290 nan 0.000 0.483 132 S N -0.624 115.242 115.700 0.277 0.000 2.669 132 S HA 0.374 4.844 4.470 -0.001 0.000 0.270 132 S C 1.433 176.248 174.600 0.359 0.000 1.225 132 S CA -0.427 57.960 58.200 0.312 0.000 0.991 132 S CB 1.494 64.838 63.200 0.240 0.000 0.987 132 S HN 0.899 nan 8.310 nan 0.000 0.552 133 L N 1.745 123.130 121.223 0.271 0.000 2.021 133 L HA -0.149 4.191 4.340 -0.001 0.000 0.215 133 L C 2.544 179.477 176.870 0.105 0.000 1.074 133 L CA 2.708 57.627 54.840 0.132 0.000 0.760 133 L CB -1.491 40.621 42.059 0.089 0.000 0.889 133 L HN 0.990 nan 8.230 nan 0.000 0.433 134 S N -1.928 113.863 115.700 0.151 0.000 2.507 134 S HA -0.117 4.353 4.470 -0.001 0.000 0.235 134 S C 1.604 176.266 174.600 0.104 0.000 0.988 134 S CA 0.954 59.229 58.200 0.124 0.000 0.944 134 S CB -0.611 62.648 63.200 0.099 0.000 0.762 134 S HN 0.678 nan 8.310 nan 0.000 0.526 135 E N 0.440 120.738 120.200 0.163 0.000 2.371 135 E HA 0.213 4.563 4.350 -0.001 0.000 0.194 135 E C -0.155 176.477 176.600 0.053 0.000 1.012 135 E CA -0.147 56.377 56.400 0.207 0.000 0.860 135 E CB -0.090 29.848 29.700 0.395 0.000 0.811 135 E HN 0.522 nan 8.360 nan 0.000 0.502 136 L N 1.995 123.060 121.223 -0.264 0.000 2.513 136 L HA -0.044 4.295 4.340 -0.001 0.000 0.272 136 L C 1.777 178.522 176.870 -0.210 0.000 1.187 136 L CA 0.128 54.640 54.840 -0.546 0.000 0.895 136 L CB 0.721 42.422 42.059 -0.597 0.000 1.147 136 L HN 0.171 nan 8.230 nan 0.000 0.483 137 T N -1.867 112.589 114.554 -0.162 0.000 2.985 137 T HA -0.025 4.325 4.350 -0.001 0.000 0.266 137 T C 0.435 175.093 174.700 -0.069 0.000 1.076 137 T CA 0.332 62.389 62.100 -0.071 0.000 1.135 137 T CB 0.120 68.969 68.868 -0.032 0.000 0.890 137 T HN 0.513 nan 8.240 nan 0.000 0.480 138 D N 0.764 121.108 120.400 -0.095 0.000 2.736 138 D HA 0.312 4.951 4.640 -0.001 0.000 0.243 138 D C 0.247 176.509 176.300 -0.063 0.000 1.304 138 D CA -0.689 53.277 54.000 -0.057 0.000 0.934 138 D CB 2.242 43.017 40.800 -0.041 0.000 1.382 138 D HN 0.097 nan 8.370 nan 0.000 0.571 139 V N 1.398 121.308 119.914 -0.006 0.000 3.276 139 V HA 0.300 4.419 4.120 -0.001 0.000 0.319 139 V C 0.771 176.937 176.094 0.120 0.000 1.427 139 V CA -0.026 62.288 62.300 0.023 0.000 1.102 139 V CB -0.480 31.389 31.823 0.078 0.000 1.020 139 V HN 0.453 nan 8.190 nan 0.000 0.456 140 S N -0.683 115.082 115.700 0.108 0.000 2.584 140 S HA 0.243 4.713 4.470 -0.001 0.000 0.270 140 S C 0.869 175.547 174.600 0.129 0.000 1.346 140 S CA 0.258 58.543 58.200 0.142 0.000 1.018 140 S CB 0.609 63.859 63.200 0.082 0.000 0.899 140 S HN 0.475 nan 8.310 nan 0.000 0.542 141 Y N 2.786 123.112 120.300 0.043 0.000 2.062 141 Y HA -0.322 4.228 4.550 -0.001 0.000 0.276 141 Y C 2.103 178.012 175.900 0.014 0.000 1.189 141 Y CA 2.727 60.841 58.100 0.023 0.000 1.130 141 Y CB -0.528 37.935 38.460 0.006 0.000 0.959 141 Y HN 0.724 nan 8.280 nan 0.000 0.499 142 N N -0.231 118.556 118.700 0.145 0.000 2.216 142 N HA -0.083 4.656 4.740 -0.001 0.000 0.183 142 N C 2.028 177.524 175.510 -0.023 0.000 1.017 142 N CA 1.298 54.376 53.050 0.048 0.000 0.861 142 N CB -0.997 37.553 38.487 0.106 0.000 0.986 142 N HN 0.548 nan 8.380 nan 0.000 0.428 143 G N 1.706 110.503 108.800 -0.006 0.000 2.422 143 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.218 143 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.218 143 G C 1.663 176.531 174.900 -0.052 0.000 1.140 143 G CA 0.159 45.245 45.100 -0.022 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 -0.197 4.143 4.340 -0.001 0.000 0.216 144 L C 2.934 179.755 176.870 -0.081 0.000 1.077 144 L CA 1.165 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 -0.113 4.367 4.480 -0.001 0.000 0.261 145 M C 1.721 177.998 176.300 -0.039 0.000 1.067 145 M CA 1.277 56.535 55.300 -0.071 0.000 1.071 145 M CB -0.955 31.601 32.600 -0.074 0.000 1.405 145 M HN 0.295 nan 8.290 nan 0.000 0.478 146 S N -1.125 114.559 115.700 -0.028 0.000 2.593 146 S HA 0.415 4.884 4.470 -0.001 0.000 0.236 146 S C 1.642 176.253 174.600 0.018 0.000 0.991 146 S CA 0.181 58.377 58.200 -0.007 0.000 0.963 146 S CB 0.025 63.221 63.200 -0.007 0.000 0.865 146 S HN 0.395 nan 8.310 nan 0.000 0.488 147 A N 1.919 124.753 122.820 0.024 0.000 2.015 147 A HA 0.169 4.488 4.320 -0.001 0.000 0.219 147 A C 1.214 178.917 177.584 0.199 0.000 1.163 147 A CA 1.007 53.105 52.037 0.102 0.000 0.646 147 A CB -0.424 18.609 19.000 0.054 0.000 0.806 147 A HN 0.509 nan 8.150 nan 0.000 0.448 148 T N -3.721 110.892 114.554 0.099 0.000 2.906 148 T HA 0.628 4.978 4.350 -0.001 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 1.877 70.757 68.868 0.021 0.000 1.136 148 T HN 0.302 nan 8.240 nan 0.000 0.498 149 A N 0.747 123.566 122.820 -0.001 0.000 2.132 149 A HA 0.212 4.532 4.320 -0.001 0.000 0.213 149 A C 0.718 178.283 177.584 -0.031 0.000 1.154 149 A CA -0.058 51.970 52.037 -0.015 0.000 0.753 149 A CB -0.727 18.264 19.000 -0.014 0.000 0.826 149 A HN 0.846 nan 8.150 nan 0.000 0.469 150 N N 0.475 119.152 118.700 -0.039 0.000 2.427 150 N HA 0.163 4.902 4.740 -0.001 0.000 0.269 150 N C 0.664 176.130 175.510 -0.073 0.000 1.235 150 N CA -0.394 52.621 53.050 -0.058 0.000 0.934 150 N CB 0.874 39.321 38.487 -0.067 0.000 1.121 150 N HN 0.255 nan 8.380 nan 0.000 0.480 151 I N 2.830 123.352 120.570 -0.079 0.000 2.454 151 I HA -0.210 3.960 4.170 -0.001 0.000 0.254 151 I C 1.065 177.100 176.117 -0.136 0.000 1.156 151 I CA 1.373 62.617 61.300 -0.093 0.000 1.433 151 I CB -0.089 37.861 38.000 -0.084 0.000 1.082 151 I HN 0.546 nan 8.210 nan 0.000 0.432 152 N N 0.454 119.057 118.700 -0.161 0.000 2.314 152 N HA 0.012 4.751 4.740 -0.001 0.000 0.200 152 N C 0.195 175.566 175.510 -0.233 0.000 1.135 152 N CA 0.380 53.286 53.050 -0.241 0.000 0.835 152 N CB 0.047 38.378 38.487 -0.260 0.000 0.989 152 N HN 0.412 nan 8.380 nan 0.000 0.478 153 D N 0.325 120.632 120.400 -0.156 0.000 2.479 153 D HA 0.077 4.717 4.640 -0.001 0.000 0.218 153 D C 0.089 176.336 176.300 -0.089 0.000 1.177 153 D CA 0.209 54.139 54.000 -0.117 0.000 0.830 153 D CB 0.880 41.633 40.800 -0.077 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.068 120.268 120.400 -0.107 0.000 2.502 154 K HA 0.661 4.981 4.320 -0.001 0.000 0.257 154 K C -1.429 175.112 176.600 -0.098 0.000 0.938 154 K CA -0.894 55.343 56.287 -0.084 0.000 0.819 154 K CB 2.663 35.123 32.500 -0.066 0.000 1.333 154 K HN -0.177 nan 8.250 nan 0.000 0.434 155 I N 0.672 121.196 120.570 -0.077 0.000 2.656 155 I HA 0.529 4.699 4.170 -0.001 0.000 0.292 155 I C -1.220 174.868 176.117 -0.049 0.000 1.144 155 I CA -0.093 61.171 61.300 -0.061 0.000 1.038 155 I CB 2.464 40.436 38.000 -0.045 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.219 113.000 108.800 -0.033 0.000 2.530 156 G HA2 0.423 4.383 3.960 -0.001 0.000 0.316 156 G HA3 0.423 4.383 3.960 -0.001 0.000 0.316 156 G C -0.518 174.398 174.900 0.026 0.000 1.298 156 G CA -0.464 44.619 45.100 -0.028 0.000 0.948 156 G HN 0.677 nan 8.290 nan 0.000 0.486 157 N N -0.203 118.538 118.700 0.069 0.000 2.738 157 N HA -0.167 4.572 4.740 -0.001 0.000 0.249 157 N C 0.322 175.897 175.510 0.109 0.000 1.047 157 N CA 0.664 53.798 53.050 0.139 0.000 0.707 157 N CB -1.062 37.501 38.487 0.127 0.000 0.937 157 N HN 0.416 nan 8.380 nan 0.000 0.545 158 V N 1.139 121.117 119.914 0.106 0.000 2.614 158 V HA 0.105 4.225 4.120 -0.001 0.000 0.291 158 V C 1.458 177.617 176.094 0.108 0.000 1.049 158 V CA -0.512 61.846 62.300 0.097 0.000 1.038 158 V CB 0.996 32.876 31.823 0.095 0.000 0.980 158 V HN 0.173 nan 8.190 nan 0.000 0.481 159 L N 4.755 126.030 121.223 0.087 0.000 2.490 159 L HA 0.057 4.396 4.340 -0.001 0.000 0.274 159 L C 1.460 178.376 176.870 0.077 0.000 1.201 159 L CA -0.036 54.851 54.840 0.077 0.000 0.869 159 L CB 0.593 42.687 42.059 0.059 0.000 1.123 159 L HN 0.501 nan 8.230 nan 0.000 0.484 160 V N 3.423 123.382 119.914 0.074 0.000 2.490 160 V HA -0.194 3.926 4.120 -0.001 0.000 0.250 160 V C 2.268 178.383 176.094 0.036 0.000 1.061 160 V CA 2.160 64.495 62.300 0.059 0.000 1.064 160 V CB -0.716 31.134 31.823 0.046 0.000 0.670 160 V HN 1.115 nan 8.190 nan 0.000 0.461 161 G N -0.689 108.130 108.800 0.033 0.000 2.422 161 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.218 161 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.218 161 G C 1.554 176.473 174.900 0.032 0.000 1.146 161 G CA 0.968 46.083 45.100 0.025 0.000 0.769 161 G HN 0.574 nan 8.290 nan 0.000 0.547 162 E N 0.110 120.336 120.200 0.043 0.000 2.051 162 E HA 0.271 4.621 4.350 -0.001 0.000 0.189 162 E C 1.344 177.978 176.600 0.056 0.000 0.979 162 E CA 0.794 57.225 56.400 0.051 0.000 0.803 162 E CB -0.114 29.622 29.700 0.060 0.000 0.761 162 E HN 0.473 nan 8.360 nan 0.000 0.451 163 G N -0.086 108.752 108.800 0.063 0.000 2.710 163 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.668 163 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.668 163 G C -0.958 173.991 174.900 0.081 0.000 1.320 163 G CA -0.313 44.826 45.100 0.065 0.000 0.860 163 G HN 0.288 nan 8.290 nan 0.000 0.538 164 V N 0.209 120.171 119.914 0.080 0.000 2.769 164 V HA 0.827 4.947 4.120 -0.001 0.000 0.312 164 V C 0.333 176.455 176.094 0.046 0.000 1.061 164 V CA -0.103 62.251 62.300 0.089 0.000 0.931 164 V CB 2.369 34.254 31.823 0.104 0.000 1.010 164 V HN 1.169 nan 8.190 nan 0.000 0.433 165 T N 3.633 118.209 114.554 0.037 0.000 2.792 165 T HA 0.526 4.876 4.350 -0.001 0.000 0.280 165 T C -0.591 174.075 174.700 -0.057 0.000 0.990 165 T CA -0.310 61.718 62.100 -0.119 0.000 0.960 165 T CB 1.465 70.087 68.868 -0.410 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.724 124.546 119.914 -0.154 0.000 2.383 166 V HA 0.486 4.605 4.120 -0.001 0.000 0.275 166 V C -0.365 175.623 176.094 -0.177 0.000 1.036 166 V CA -0.747 61.473 62.300 -0.134 0.000 0.889 166 V CB 1.234 32.894 31.823 -0.272 0.000 0.985 166 V HN 0.650 nan 8.190 nan 0.000 0.459 167 L N 4.911 126.104 121.223 -0.050 0.000 2.333 167 L HA 0.591 4.931 4.340 -0.001 0.000 0.280 167 L C 0.227 177.088 176.870 -0.015 0.000 1.004 167 L CA 0.242 55.054 54.840 -0.046 0.000 0.820 167 L CB 2.044 44.162 42.059 0.099 0.000 1.247 167 L HN 0.632 nan 8.230 nan 0.000 0.416 168 S N 5.986 121.662 115.700 -0.039 0.000 2.448 168 S HA 0.538 5.007 4.470 -0.001 0.000 0.279 168 S C -0.410 174.190 174.600 0.000 0.000 1.195 168 S CA -0.523 57.666 58.200 -0.017 0.000 1.051 168 S CB -0.300 62.888 63.200 -0.020 0.000 0.948 168 S HN 0.604 nan 8.310 nan 0.000 0.493 169 L N 6.471 127.692 121.223 -0.003 0.000 2.331 169 L HA 0.570 4.909 4.340 -0.001 0.000 0.275 169 L C -1.753 175.091 176.870 -0.044 0.000 1.022 169 L CA -2.356 52.479 54.840 -0.008 0.000 0.812 169 L CB 1.494 43.544 42.059 -0.016 0.000 1.257 169 L HN 0.526 nan 8.230 nan 0.000 0.435 170 P HA 0.089 nan 4.420 nan 0.000 0.271 170 P C -0.583 176.572 177.300 -0.240 0.000 1.218 170 P CA -0.210 62.750 63.100 -0.233 0.000 0.780 170 P CB 0.686 32.051 31.700 -0.559 0.000 0.901 171 T N -2.135 112.268 114.554 -0.252 0.000 3.331 171 T HA 0.493 4.842 4.350 -0.001 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 -0.783 67.998 68.868 -0.145 0.000 1.066 171 T HN 0.625 nan 8.240 nan 0.000 0.655 172 S N 1.322 116.817 115.700 -0.341 0.000 2.912 172 S HA -0.102 4.367 4.470 -0.001 0.000 0.857 172 S C -0.775 173.569 174.600 -0.427 0.000 0.919 172 S CA -0.678 57.335 58.200 -0.310 0.000 1.424 172 S CB -1.029 62.039 63.200 -0.220 0.000 1.019 172 S HN 0.719 nan 8.310 nan 0.000 0.231 173 Y N 2.099 122.366 120.300 -0.055 0.000 2.645 173 Y HA 0.461 5.011 4.550 -0.001 0.000 0.341 173 Y C 1.328 177.190 175.900 -0.064 0.000 1.234 173 Y CA -0.250 57.814 58.100 -0.059 0.000 1.352 173 Y CB 0.425 38.851 38.460 -0.056 0.000 1.556 173 Y HN 0.771 nan 8.280 nan 0.000 0.607 174 D N 0.758 121.251 120.400 0.155 0.000 2.737 174 D HA -0.186 4.453 4.640 -0.001 0.000 0.233 174 D C -1.063 175.263 176.300 0.044 0.000 1.155 174 D CA 0.760 54.801 54.000 0.070 0.000 0.667 174 D CB -1.109 39.722 40.800 0.051 0.000 1.060 174 D HN 0.267 nan 8.370 nan 0.000 0.427 175 L N -0.117 121.128 121.223 0.036 0.000 2.417 175 L HA 0.405 4.744 4.340 -0.001 0.000 0.268 175 L C 1.828 178.776 176.870 0.131 0.000 1.158 175 L CA -0.145 54.705 54.840 0.017 0.000 0.819 175 L CB 0.853 42.864 42.059 -0.080 0.000 1.112 175 L HN 0.033 nan 8.230 nan 0.000 0.458 176 G N 0.579 109.524 108.800 0.241 0.000 2.606 176 G HA2 0.170 4.130 3.960 -0.001 0.000 0.252 176 G HA3 0.170 4.130 3.960 -0.001 0.000 0.252 176 G C -0.870 174.188 174.900 0.263 0.000 1.206 176 G CA -0.336 44.924 45.100 0.267 0.000 0.861 176 G HN 0.342 nan 8.290 nan 0.000 0.561 177 Y N -0.498 119.868 120.300 0.110 0.000 2.511 177 Y HA 0.233 4.782 4.550 -0.001 0.000 0.332 177 Y C 0.891 176.850 175.900 0.098 0.000 1.177 177 Y CA 0.216 58.379 58.100 0.105 0.000 1.422 177 Y CB 1.043 39.542 38.460 0.065 0.000 1.271 177 Y HN 0.149 nan 8.280 nan 0.000 0.550 178 V N 5.359 125.314 119.914 0.068 0.000 2.427 178 V HA 0.313 4.433 4.120 -0.001 0.000 0.286 178 V C 0.137 176.234 176.094 0.005 0.000 1.034 178 V CA -1.203 61.009 62.300 -0.146 0.000 0.893 178 V CB 1.369 32.871 31.823 -0.535 0.000 0.982 178 V HN 0.635 nan 8.190 nan 0.000 0.452 179 R N 3.850 124.311 120.500 -0.064 0.000 2.401 179 R HA 0.360 4.700 4.340 -0.001 0.000 0.299 179 R C -0.427 175.740 176.300 -0.223 0.000 1.064 179 R CA -0.309 55.602 56.100 -0.315 0.000 1.000 179 R CB 0.289 30.369 30.300 -0.366 0.000 0.973 179 R HN 0.622 nan 8.270 nan 0.000 0.438 180 L N 2.132 123.227 121.223 -0.214 0.000 2.479 180 L HA 0.239 4.579 4.340 -0.001 0.000 0.248 180 L C 1.493 178.306 176.870 -0.095 0.000 1.205 180 L CA -0.105 54.667 54.840 -0.114 0.000 0.817 180 L CB 0.553 42.570 42.059 -0.069 0.000 1.162 180 L HN 0.802 nan 8.230 nan 0.000 0.486 181 G N 0.217 108.997 108.800 -0.033 0.000 3.455 181 G HA2 0.040 4.000 3.960 -0.001 0.000 0.250 181 G HA3 0.040 4.000 3.960 -0.001 0.000 0.250 181 G C -0.060 174.818 174.900 -0.036 0.000 1.071 181 G CA -0.405 44.679 45.100 -0.027 0.000 1.812 181 G HN 0.707 nan 8.290 nan 0.000 0.643 182 D N 1.131 121.491 120.400 -0.067 0.000 2.382 182 D HA 0.135 4.775 4.640 -0.001 0.000 0.245 182 D C -2.473 173.798 176.300 -0.049 0.000 1.120 182 D CA -1.554 52.411 54.000 -0.058 0.000 0.890 182 D CB 1.883 42.633 40.800 -0.082 0.000 1.201 182 D HN 0.071 nan 8.370 nan 0.000 0.433 183 P HA 0.153 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 0.833 32.521 31.700 -0.021 0.000 0.858 184 I N 5.064 125.617 120.570 -0.028 0.000 2.562 184 I HA 0.406 4.576 4.170 -0.001 0.000 0.301 184 I C -2.232 173.873 176.117 -0.020 0.000 1.003 184 I CA -3.102 58.182 61.300 -0.027 0.000 1.127 184 I CB 1.242 39.224 38.000 -0.028 0.000 1.304 184 I HN 0.209 nan 8.210 nan 0.000 0.446 185 P HA 0.436 nan 4.420 nan 0.000 0.267 185 P C -1.549 175.744 177.300 -0.011 0.000 1.209 185 P CA -0.154 62.938 63.100 -0.013 0.000 0.763 185 P CB 0.478 32.171 31.700 -0.012 0.000 0.816 186 A N 3.452 126.266 122.820 -0.010 0.000 2.566 186 A HA 0.693 5.012 4.320 -0.001 0.000 0.297 186 A C -0.800 176.780 177.584 -0.007 0.000 1.059 186 A CA -0.693 51.339 52.037 -0.008 0.000 0.691 186 A CB 0.977 19.972 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.540 120.027 120.570 -0.006 0.000 2.646 187 I HA 1.007 5.177 4.170 -0.001 0.000 0.299 187 I C 0.116 176.230 176.117 -0.004 0.000 1.036 187 I CA -0.868 60.429 61.300 -0.005 0.000 1.074 187 I CB 2.440 40.437 38.000 -0.004 0.000 1.258 187 I HN 0.975 nan 8.210 nan 0.000 0.430 188 G N 3.811 112.609 108.800 -0.003 0.000 2.673 188 G HA2 0.416 4.376 3.960 -0.001 0.000 0.292 188 G HA3 0.416 4.376 3.960 -0.001 0.000 0.292 188 G C -0.204 174.694 174.900 -0.002 0.000 1.450 188 G CA -0.879 44.219 45.100 -0.003 0.000 0.837 188 G HN 0.726 nan 8.290 nan 0.000 0.505 189 L N -0.354 120.868 121.223 -0.002 0.000 2.201 189 L HA 0.056 4.396 4.340 -0.001 0.000 0.212 189 L C 0.823 177.692 176.870 -0.002 0.000 1.105 189 L CA 0.694 55.533 54.840 -0.002 0.000 0.775 189 L CB 0.083 42.141 42.059 -0.002 0.000 0.913 189 L HN 0.380 nan 8.230 nan 0.000 0.440 190 D N -0.294 120.105 120.400 -0.002 0.000 2.295 190 D HA 0.116 4.755 4.640 -0.001 0.000 0.248 190 D C -1.532 174.768 176.300 -0.000 0.000 1.154 190 D CA -2.010 51.989 54.000 -0.001 0.000 0.857 190 D CB 1.759 42.559 40.800 -0.001 0.000 1.117 190 D HN -0.170 nan 8.370 nan 0.000 0.468 191 P HA -0.144 nan 4.420 nan 0.000 0.216 191 P C 0.483 177.784 177.300 0.002 0.000 1.154 191 P CA 1.344 64.445 63.100 0.001 0.000 0.865 191 P CB 0.265 31.966 31.700 0.002 0.000 0.789 192 K N -1.404 118.997 120.400 0.002 0.000 2.504 192 K HA 0.125 4.445 4.320 -0.001 0.000 0.199 192 K C 0.758 177.359 176.600 0.003 0.000 1.028 192 K CA -0.245 56.044 56.287 0.004 0.000 1.164 192 K CB -0.296 32.207 32.500 0.004 0.000 0.877 192 K HN 0.195 nan 8.250 nan 0.000 0.508 193 M N 1.952 121.553 119.600 0.001 0.000 2.219 193 M HA 0.085 4.565 4.480 -0.001 0.000 0.353 193 M C -1.063 175.237 176.300 -0.000 0.000 1.304 193 M CA 0.345 55.645 55.300 -0.000 0.000 1.115 193 M CB 0.697 33.296 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 0.728 4.848 4.120 -0.001 0.000 0.304 194 V C -0.696 175.395 176.094 -0.005 0.000 1.054 194 V CA -0.837 61.462 62.300 -0.001 0.000 0.882 194 V CB 1.698 33.522 31.823 0.002 0.000 1.002 194 V HN 0.951 nan 8.190 nan 0.000 0.424 195 A N 3.425 126.240 122.820 -0.009 0.000 2.357 195 A HA 0.913 5.233 4.320 -0.001 0.000 0.295 195 A C -0.124 177.448 177.584 -0.020 0.000 1.121 195 A CA -0.281 51.748 52.037 -0.014 0.000 0.742 195 A CB 1.500 20.492 19.000 -0.014 0.000 1.181 195 A HN 0.946 nan 8.150 nan 0.000 0.454 196 T N -1.918 112.621 114.554 -0.025 0.000 2.907 196 T HA 0.610 4.960 4.350 -0.001 0.000 0.290 196 T C -0.641 174.029 174.700 -0.050 0.000 1.066 196 T CA -0.794 61.285 62.100 -0.034 0.000 1.012 196 T CB 1.464 70.316 68.868 -0.027 0.000 1.184 196 T HN 1.046 nan 8.240 nan 0.000 0.522 197 C N 2.300 121.560 119.300 -0.067 0.000 2.293 197 C HA 0.646 5.106 4.460 -0.001 0.000 0.323 197 C C -0.853 174.077 174.990 -0.100 0.000 1.240 197 C CA -0.476 58.491 59.018 -0.085 0.000 1.497 197 C CB -1.035 26.648 27.740 -0.095 0.000 2.171 197 C HN 0.882 nan 8.230 nan 0.000 0.465 198 D N 2.920 123.262 120.400 -0.097 0.000 2.277 198 D HA 0.309 4.948 4.640 -0.001 0.000 0.250 198 D C -0.057 176.195 176.300 -0.080 0.000 1.032 198 D CA -0.001 53.951 54.000 -0.080 0.000 0.947 198 D CB 1.569 42.327 40.800 -0.069 0.000 1.159 198 D HN 0.551 nan 8.370 nan 0.000 0.460 199 S N 0.042 115.704 115.700 -0.063 0.000 2.629 199 S HA 0.119 4.589 4.470 -0.001 0.000 0.302 199 S C 1.063 175.660 174.600 -0.005 0.000 1.244 199 S CA -0.114 58.042 58.200 -0.073 0.000 1.098 199 S CB 0.142 63.279 63.200 -0.105 0.000 0.858 199 S HN 0.523 nan 8.310 nan 0.000 0.502 200 S N 1.250 116.950 115.700 -0.001 0.000 3.019 200 S HA 0.120 4.590 4.470 -0.001 0.000 0.258 200 S C -0.365 174.279 174.600 0.075 0.000 1.082 200 S CA -0.533 57.696 58.200 0.049 0.000 0.836 200 S CB -0.447 62.750 63.200 -0.005 0.000 0.834 200 S HN 0.571 nan 8.310 nan 0.000 0.457 201 D N 3.445 123.882 120.400 0.061 0.000 2.525 201 D HA 0.244 4.884 4.640 -0.001 0.000 0.235 201 D C 0.110 176.481 176.300 0.119 0.000 1.137 201 D CA 0.618 54.674 54.000 0.093 0.000 0.868 201 D CB -0.054 40.815 40.800 0.115 0.000 1.180 201 D HN 0.175 nan 8.370 nan 0.000 0.465 202 R N -0.412 120.151 120.500 0.105 0.000 3.125 202 R HA -0.101 4.239 4.340 -0.001 0.000 0.258 202 R C -2.486 173.859 176.300 0.075 0.000 0.968 202 R CA -0.033 56.123 56.100 0.093 0.000 0.656 202 R CB -1.837 28.550 30.300 0.145 0.000 1.251 202 R HN 0.452 nan 8.270 nan 0.000 0.428 203 P HA 0.090 nan 4.420 nan 0.000 0.272 203 P C -0.282 177.004 177.300 -0.023 0.000 1.230 203 P CA -0.132 62.990 63.100 0.036 0.000 0.788 203 P CB 0.744 32.474 31.700 0.049 0.000 0.949 204 R N 1.178 121.640 120.500 -0.064 0.000 2.407 204 R HA 0.523 4.863 4.340 -0.001 0.000 0.303 204 R C -1.369 174.805 176.300 -0.209 0.000 0.981 204 R CA -0.735 55.269 56.100 -0.161 0.000 0.905 204 R CB 0.898 31.085 30.300 -0.188 0.000 1.099 204 R HN 0.260 nan 8.270 nan 0.000 0.459 205 V N 5.449 125.204 119.914 -0.266 0.000 2.487 205 V HA 0.364 4.484 4.120 -0.001 0.000 0.298 205 V C -1.212 174.707 176.094 -0.292 0.000 1.028 205 V CA -0.704 61.477 62.300 -0.199 0.000 0.860 205 V CB 1.478 33.242 31.823 -0.099 0.000 0.991 205 V HN 0.690 nan 8.190 nan 0.000 0.427 206 Y N 1.819 122.098 120.300 -0.035 0.000 2.342 206 Y HA 0.601 5.151 4.550 -0.001 0.000 0.334 206 Y C 0.755 176.617 175.900 -0.064 0.000 1.067 206 Y CA -0.515 57.561 58.100 -0.040 0.000 1.128 206 Y CB 2.045 40.487 38.460 -0.029 0.000 1.200 206 Y HN 0.497 nan 8.280 nan 0.000 0.464 207 T N 5.164 119.763 114.554 0.075 0.000 2.786 207 T HA 0.579 4.929 4.350 -0.001 0.000 0.283 207 T C -0.581 174.072 174.700 -0.077 0.000 0.992 207 T CA -0.522 61.566 62.100 -0.020 0.000 0.954 207 T CB 0.333 69.179 68.868 -0.036 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.873 123.337 120.570 -0.177 0.000 2.411 208 I HA 0.247 4.416 4.170 -0.001 0.000 0.284 208 I C 0.240 176.146 176.117 -0.351 0.000 1.012 208 I CA -0.638 60.464 61.300 -0.331 0.000 1.119 208 I CB 1.729 39.372 38.000 -0.595 0.000 1.261 208 I HN 0.477 nan 8.210 nan 0.000 0.448 209 T N 5.772 120.169 114.554 -0.262 0.000 2.863 209 T HA 0.210 4.559 4.350 -0.001 0.000 0.299 209 T C 1.204 175.752 174.700 -0.254 0.000 0.973 209 T CA -0.236 61.737 62.100 -0.211 0.000 0.994 209 T CB 1.086 69.880 68.868 -0.123 0.000 0.961 209 T HN 0.752 nan 8.240 nan 0.000 0.552 210 A N 2.923 125.558 122.820 -0.308 0.000 2.014 210 A HA 0.563 4.883 4.320 -0.001 0.000 0.218 210 A C 1.212 178.761 177.584 -0.058 0.000 1.163 210 A CA 0.585 52.470 52.037 -0.253 0.000 0.652 210 A CB 0.108 19.031 19.000 -0.128 0.000 0.808 210 A HN 0.892 nan 8.150 nan 0.000 0.449 211 A N -0.854 121.941 122.820 -0.042 0.000 2.540 211 A HA 0.542 4.861 4.320 -0.001 0.000 0.297 211 A C -2.001 175.600 177.584 0.029 0.000 1.056 211 A CA -0.351 51.712 52.037 0.044 0.000 0.700 211 A CB 1.040 20.109 19.000 0.116 0.000 1.280 211 A HN 0.026 nan 8.150 nan 0.000 0.398 212 D N 2.171 122.614 120.400 0.073 0.000 2.375 212 D HA 0.430 5.070 4.640 -0.001 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 0.461 41.278 40.800 0.029 0.000 1.143 212 D HN 0.471 nan 8.370 nan 0.000 0.529 213 D N 2.069 122.520 120.400 0.084 0.000 2.686 213 D HA -0.297 4.343 4.640 -0.001 0.000 0.235 213 D C -0.496 175.885 176.300 0.136 0.000 1.160 213 D CA 0.576 54.632 54.000 0.094 0.000 0.645 213 D CB -1.802 39.031 40.800 0.055 0.000 1.039 213 D HN 0.454 nan 8.370 nan 0.000 0.423 214 Y N 1.319 121.678 120.300 0.099 0.000 2.537 214 Y HA 0.137 4.686 4.550 -0.001 0.000 0.339 214 Y C 0.505 176.495 175.900 0.150 0.000 1.066 214 Y CA -0.097 58.079 58.100 0.125 0.000 1.357 214 Y CB 0.514 39.075 38.460 0.169 0.000 1.175 214 Y HN -0.018 nan 8.280 nan 0.000 0.525 215 Q N 7.372 126.782 119.800 -0.650 0.000 2.288 215 Q HA 0.159 4.499 4.340 -0.001 0.000 0.258 215 Q C -1.197 174.200 176.000 -1.006 0.000 0.957 215 Q CA -0.257 55.198 55.803 -0.580 0.000 0.919 215 Q CB 1.478 30.008 28.738 -0.347 0.000 1.185 215 Q HN 0.752 nan 8.270 nan 0.000 0.408 216 F N 1.197 120.605 119.950 -0.904 0.000 2.469 216 F HA 0.511 5.038 4.527 -0.000 0.000 0.332 216 F C -0.594 174.844 175.800 -0.604 0.000 1.103 216 F CA -0.518 56.930 58.000 -0.920 0.000 0.979 216 F CB 1.789 39.748 39.000 -1.735 0.000 1.137 216 F HN 0.373 nan 8.300 nan 0.000 0.463 217 S N 4.047 118.987 115.700 -1.266 0.000 2.603 217 S HA 0.672 5.142 4.470 -0.001 0.000 0.274 217 S C -1.461 172.595 174.600 -0.907 0.000 1.168 217 S CA -0.386 57.294 58.200 -0.866 0.000 0.963 217 S CB 1.235 64.166 63.200 -0.449 0.000 1.078 217 S HN 0.952 nan 8.310 nan 0.000 0.477 218 S N 2.783 118.100 115.700 -0.638 0.000 2.565 218 S HA 0.401 4.871 4.470 -0.001 0.000 0.274 218 S C -1.832 172.695 174.600 -0.122 0.000 1.144 218 S CA -0.617 57.362 58.200 -0.369 0.000 0.849 218 S CB 1.435 64.405 63.200 -0.384 0.000 1.103 218 S HN 0.747 nan 8.310 nan 0.000 0.455 219 Q N 1.582 121.351 119.800 -0.052 0.000 2.354 219 Q HA 0.206 4.546 4.340 -0.001 0.000 0.244 219 Q C -0.732 175.326 176.000 0.096 0.000 0.969 219 Q CA -0.216 55.604 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 1.807 122.124 120.300 0.028 0.000 2.788 220 Y HA -0.075 4.475 4.550 -0.001 0.000 0.341 220 Y C -0.491 175.436 175.900 0.045 0.000 1.258 220 Y CA 0.630 58.759 58.100 0.049 0.000 1.503 220 Y CB 0.468 38.953 38.460 0.041 0.000 1.325 220 Y HN 0.481 nan 8.280 nan 0.000 0.614 221 Q N 6.918 126.214 119.800 -0.841 0.000 2.268 221 Q HA 0.419 4.758 4.340 -0.001 0.000 0.266 221 Q C -2.965 172.463 176.000 -0.952 0.000 1.006 221 Q CA -2.544 52.787 55.803 -0.787 0.000 0.824 221 Q CB 2.050 30.625 28.738 -0.272 0.000 1.306 221 Q HN 0.415 nan 8.270 nan 0.000 0.424 222 P HA 0.150 nan 4.420 nan 0.000 0.263 222 P C 0.516 177.733 177.300 -0.137 0.000 1.195 222 P CA 1.341 64.284 63.100 -0.262 0.000 0.762 222 P CB 0.754 32.388 31.700 -0.111 0.000 0.799 223 G N 2.163 110.936 108.800 -0.044 0.000 2.268 223 G HA2 0.008 3.968 3.960 -0.001 0.000 0.240 223 G HA3 0.008 3.968 3.960 -0.001 0.000 0.240 223 G C 0.463 175.359 174.900 -0.007 0.000 1.010 223 G CA 0.233 45.322 45.100 -0.018 0.000 0.618 223 G HN 1.067 nan 8.290 nan 0.000 0.516 224 G N -2.280 106.501 108.800 -0.032 0.000 2.566 224 G HA2 0.321 4.281 3.960 -0.001 0.000 0.599 224 G HA3 0.321 4.281 3.960 -0.001 0.000 0.599 224 G C -0.590 174.329 174.900 0.032 0.000 1.292 224 G CA 0.085 45.199 45.100 0.023 0.000 0.922 224 G HN 1.548 nan 8.290 nan 0.000 0.514 225 V N 0.845 120.821 119.914 0.103 0.000 2.407 225 V HA 0.648 4.768 4.120 -0.001 0.000 0.291 225 V C 0.420 176.603 176.094 0.149 0.000 1.018 225 V CA -0.224 62.164 62.300 0.146 0.000 0.842 225 V CB 1.572 33.549 31.823 0.258 0.000 0.996 225 V HN 0.999 nan 8.190 nan 0.000 0.426 226 T N 6.877 121.499 114.554 0.112 0.000 2.799 226 T HA 0.727 5.077 4.350 -0.001 0.000 0.286 226 T C -0.178 174.598 174.700 0.126 0.000 0.973 226 T CA -0.082 62.076 62.100 0.097 0.000 1.035 226 T CB 0.883 69.789 68.868 0.064 0.000 0.932 226 T HN 0.649 nan 8.240 nan 0.000 0.469 227 I N -0.695 119.957 120.570 0.136 0.000 2.892 227 I HA 0.665 4.835 4.170 -0.001 0.000 0.306 227 I C -0.454 175.724 176.117 0.101 0.000 1.078 227 I CA -0.940 60.451 61.300 0.151 0.000 1.032 227 I CB 2.341 40.492 38.000 0.252 0.000 1.229 227 I HN 0.300 nan 8.210 nan 0.000 0.435 228 T N 4.913 119.505 114.554 0.063 0.000 2.832 228 T HA 0.242 4.592 4.350 -0.001 0.000 0.313 228 T C 0.731 175.439 174.700 0.014 0.000 1.035 228 T CA -0.273 61.833 62.100 0.010 0.000 0.950 228 T CB 1.061 69.911 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 0.024 0.000 2.046 229 L HA 0.237 4.577 4.340 -0.001 0.000 0.208 229 L C 0.215 177.155 176.870 0.117 0.000 1.077 229 L CA 1.763 56.646 54.840 0.072 0.000 0.747 229 L CB -0.280 41.893 42.059 0.189 0.000 0.896 229 L HN 0.711 nan 8.230 nan 0.000 0.432 230 F N -3.294 116.651 119.950 -0.008 0.000 2.713 230 F HA 0.650 5.177 4.527 -0.001 0.000 0.311 230 F C -0.724 175.070 175.800 -0.011 0.000 1.141 230 F CA -0.907 57.077 58.000 -0.028 0.000 0.939 230 F CB 0.733 39.706 39.000 -0.044 0.000 1.325 230 F HN -0.304 nan 8.300 nan 0.000 0.453 231 S N 1.160 116.980 115.700 0.200 0.000 2.548 231 S HA 0.895 5.365 4.470 -0.001 0.000 0.276 231 S C -1.526 173.198 174.600 0.205 0.000 1.129 231 S CA 0.091 58.348 58.200 0.095 0.000 0.931 231 S CB 1.268 64.469 63.200 0.001 0.000 1.068 231 S HN 1.685 nan 8.310 nan 0.000 0.480 232 A N 3.851 126.774 122.820 0.172 0.000 2.488 232 A HA 0.705 5.024 4.320 -0.001 0.000 0.298 232 A C -1.197 176.373 177.584 -0.023 0.000 1.044 232 A CA -0.887 51.198 52.037 0.079 0.000 0.693 232 A CB 1.065 20.111 19.000 0.077 0.000 1.272 232 A HN 0.714 nan 8.150 nan 0.000 0.402 233 N N 1.469 120.138 118.700 -0.052 0.000 2.442 233 N HA 0.524 5.264 4.740 -0.001 0.000 0.265 233 N C -0.215 175.163 175.510 -0.221 0.000 1.138 233 N CA 0.279 53.282 53.050 -0.077 0.000 0.956 233 N CB 0.498 38.974 38.487 -0.018 0.000 1.067 233 N HN 0.744 nan 8.380 nan 0.000 0.474 234 I N -2.150 118.266 120.570 -0.257 0.000 3.174 234 I HA 0.616 4.785 4.170 -0.001 0.000 0.313 234 I C -1.049 175.017 176.117 -0.086 0.000 1.155 234 I CA -0.963 60.041 61.300 -0.493 0.000 0.977 234 I CB 2.669 40.209 38.000 -0.768 0.000 1.248 234 I HN 0.027 nan 8.210 nan 0.000 0.453 235 D N 2.082 122.541 120.400 0.099 0.000 2.646 235 D HA 0.720 5.360 4.640 -0.001 0.000 0.245 235 D C -1.165 175.220 176.300 0.141 0.000 1.099 235 D CA -0.228 53.860 54.000 0.146 0.000 0.849 235 D CB 2.397 43.313 40.800 0.195 0.000 1.448 235 D HN 0.903 nan 8.370 nan 0.000 0.489 236 A N 1.987 124.855 122.820 0.081 0.000 2.517 236 A HA 0.528 4.848 4.320 -0.001 0.000 0.297 236 A C -0.203 177.384 177.584 0.006 0.000 1.050 236 A CA -0.516 51.554 52.037 0.055 0.000 0.694 236 A CB 0.916 19.949 19.000 0.054 0.000 1.277 236 A HN 0.552 nan 8.150 nan 0.000 0.400 237 I N 0.521 121.078 120.570 -0.020 0.000 4.124 237 I HA 0.118 4.288 4.170 -0.001 0.000 0.311 237 I C 1.268 177.374 176.117 -0.018 0.000 1.259 237 I CA 1.070 62.319 61.300 -0.086 0.000 1.315 237 I CB 0.661 38.511 38.000 -0.249 0.000 1.223 237 I HN 0.791 nan 8.210 nan 0.000 0.441 238 T N -1.441 113.141 114.554 0.046 0.000 2.762 238 T HA 0.410 4.760 4.350 -0.001 0.000 0.272 238 T C 0.326 175.077 174.700 0.085 0.000 0.982 238 T CA -0.488 61.658 62.100 0.076 0.000 1.013 238 T CB 1.157 70.100 68.868 0.125 0.000 1.309 238 T HN 0.126 nan 8.240 nan 0.000 0.572 239 S N 0.618 116.386 115.700 0.113 0.000 2.558 239 S HA 0.369 4.838 4.470 -0.001 0.000 0.291 239 S C 0.040 174.752 174.600 0.186 0.000 1.306 239 S CA -0.423 57.872 58.200 0.158 0.000 1.056 239 S CB -0.980 62.332 63.200 0.187 0.000 0.836 239 S HN 1.192 nan 8.310 nan 0.000 0.504 240 L N -0.530 120.764 121.223 0.119 0.000 2.491 240 L HA 0.949 5.289 4.340 -0.001 0.000 0.254 240 L C -0.659 176.219 176.870 0.013 0.000 1.048 240 L CA -1.005 53.805 54.840 -0.050 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 -0.200 115.464 115.700 -0.059 0.000 2.569 241 S HA 0.887 5.357 4.470 -0.001 0.000 0.280 241 S C -1.078 173.549 174.600 0.044 0.000 1.111 241 S CA -0.685 57.544 58.200 0.050 0.000 0.887 241 S CB 1.978 65.254 63.200 0.126 0.000 1.095 241 S HN 0.664 nan 8.310 nan 0.000 0.476 242 V N 1.514 121.481 119.914 0.089 0.000 2.487 242 V HA 0.843 4.963 4.120 -0.001 0.000 0.298 242 V C 0.696 176.874 176.094 0.140 0.000 1.028 242 V CA 0.004 62.369 62.300 0.109 0.000 0.860 242 V CB 1.200 33.120 31.823 0.163 0.000 0.991 242 V HN 1.247 nan 8.190 nan 0.000 0.427 243 G N 1.795 110.651 108.800 0.094 0.000 2.714 243 G HA2 0.908 4.867 3.960 -0.001 0.000 0.292 243 G HA3 0.908 4.867 3.960 -0.001 0.000 0.292 243 G C -0.145 174.790 174.900 0.058 0.000 1.308 243 G CA -0.222 44.942 45.100 0.108 0.000 0.964 243 G HN 1.488 nan 8.290 nan 0.000 0.484 244 G N -1.143 107.709 108.800 0.086 0.000 2.373 244 G HA2 0.350 4.310 3.960 -0.001 0.000 0.634 244 G HA3 0.350 4.310 3.960 -0.001 0.000 0.634 244 G C -0.983 174.004 174.900 0.145 0.000 1.267 244 G CA 0.064 45.184 45.100 0.033 0.000 1.008 244 G HN 0.937 nan 8.290 nan 0.000 0.497 245 E N -1.156 119.096 120.200 0.085 0.000 2.354 245 E HA 0.548 4.898 4.350 -0.001 0.000 0.283 245 E C -0.957 175.700 176.600 0.095 0.000 0.938 245 E CA -0.764 55.747 56.400 0.185 0.000 0.777 245 E CB 1.567 31.334 29.700 0.111 0.000 1.222 245 E HN 0.604 nan 8.360 nan 0.000 0.423 246 L N 2.957 124.290 121.223 0.183 0.000 2.322 246 L HA 0.635 4.974 4.340 -0.001 0.000 0.279 246 L C -0.661 176.152 176.870 -0.094 0.000 1.036 246 L CA -1.112 53.711 54.840 -0.030 0.000 0.807 246 L CB 1.785 43.822 42.059 -0.036 0.000 1.226 246 L HN 0.298 nan 8.230 nan 0.000 0.433 247 V N 2.584 122.339 119.914 -0.265 0.000 2.448 247 V HA 0.444 4.563 4.120 -0.001 0.000 0.295 247 V C -0.691 175.202 176.094 -0.335 0.000 1.025 247 V CA -0.441 61.766 62.300 -0.154 0.000 0.859 247 V CB 1.621 33.408 31.823 -0.060 0.000 0.988 247 V HN 0.370 nan 8.190 nan 0.000 0.431 248 F N 4.336 124.273 119.950 -0.022 0.000 2.469 248 F HA 0.716 5.242 4.527 -0.001 0.000 0.332 248 F C 0.557 176.376 175.800 0.031 0.000 1.103 248 F CA -0.685 57.300 58.000 -0.025 0.000 0.979 248 F CB 1.689 40.575 39.000 -0.190 0.000 1.137 248 F HN 0.253 nan 8.300 nan 0.000 0.463 249 R N 1.151 121.808 120.500 0.262 0.000 2.803 249 R HA 0.759 5.099 4.340 -0.001 0.000 0.276 249 R C -0.832 175.607 176.300 0.233 0.000 0.978 249 R CA -0.808 55.406 56.100 0.189 0.000 0.939 249 R CB 2.155 32.533 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.029 113.614 114.554 0.148 0.000 2.885 250 T HA 0.229 4.579 4.350 -0.001 0.000 0.322 250 T C -0.006 174.710 174.700 0.027 0.000 1.387 250 T CA -0.403 61.777 62.100 0.132 0.000 1.041 250 T CB 1.428 70.403 68.868 0.177 0.000 1.287 250 T HN 0.452 nan 8.240 nan 0.000 0.491 251 S N 0.942 116.646 115.700 0.008 0.000 2.511 251 S HA 0.244 4.714 4.470 -0.001 0.000 0.214 251 S C 0.402 174.919 174.600 -0.138 0.000 0.997 251 S CA -0.125 58.040 58.200 -0.059 0.000 0.908 251 S CB 0.364 63.556 63.200 -0.015 0.000 0.803 251 S HN 0.592 nan 8.310 nan 0.000 0.504 252 V N 3.807 123.673 119.914 -0.080 0.000 2.439 252 V HA 0.296 4.416 4.120 -0.001 0.000 0.282 252 V C 0.027 176.056 176.094 -0.109 0.000 1.039 252 V CA -0.827 61.441 62.300 -0.054 0.000 0.913 252 V CB 0.637 32.490 31.823 0.049 0.000 0.983 252 V HN 0.413 nan 8.190 nan 0.000 0.460 253 H N 2.844 121.939 119.070 0.042 0.000 2.562 253 H HA 0.346 4.902 4.556 -0.001 0.000 0.352 253 H C 1.263 176.605 175.328 0.024 0.000 1.125 253 H CA 0.830 56.896 56.048 0.030 0.000 1.379 253 H CB 1.386 31.158 29.762 0.016 0.000 1.464 253 H HN 1.016 nan 8.280 nan 0.000 0.563 254 G N 2.674 111.558 108.800 0.140 0.000 2.176 254 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.252 254 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.252 254 G C 0.075 175.010 174.900 0.058 0.000 1.024 254 G CA -0.163 44.984 45.100 0.079 0.000 0.755 254 G HN 0.462 nan 8.290 nan 0.000 0.507 255 L N -0.040 121.221 121.223 0.062 0.000 2.326 255 L HA 0.581 4.920 4.340 -0.001 0.000 0.278 255 L C 0.466 177.343 176.870 0.012 0.000 1.092 255 L CA -0.824 54.057 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 4.942 124.859 119.914 0.005 0.000 2.487 256 V HA 0.430 4.550 4.120 -0.001 0.000 0.298 256 V C 0.010 176.046 176.094 -0.097 0.000 1.028 256 V CA -0.486 61.786 62.300 -0.047 0.000 0.860 256 V CB 2.132 33.944 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.950 125.054 121.223 -0.197 0.000 2.317 257 L HA 0.809 5.148 4.340 -0.001 0.000 0.281 257 L C 0.583 177.317 176.870 -0.226 0.000 1.024 257 L CA -0.321 54.342 54.840 -0.295 0.000 0.810 257 L CB 1.924 43.626 42.059 -0.595 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.751 110.443 108.800 -0.181 0.000 2.452 258 G HA2 0.770 4.730 3.960 -0.001 0.000 0.324 258 G HA3 0.770 4.730 3.960 -0.001 0.000 0.324 258 G C -1.392 173.424 174.900 -0.141 0.000 1.214 258 G CA -0.390 44.627 45.100 -0.138 0.000 0.947 258 G HN 0.735 nan 8.290 nan 0.000 0.478 259 A N 1.144 123.883 122.820 -0.136 0.000 2.488 259 A HA 0.867 5.186 4.320 -0.001 0.000 0.298 259 A C -0.458 177.050 177.584 -0.126 0.000 1.044 259 A CA -0.572 51.403 52.037 -0.104 0.000 0.693 259 A CB 1.860 20.800 19.000 -0.100 0.000 1.272 259 A HN 0.788 nan 8.150 nan 0.000 0.402 260 T N 2.434 116.921 114.554 -0.111 0.000 2.886 260 T HA 0.553 4.903 4.350 -0.001 0.000 0.292 260 T C -0.584 173.952 174.700 -0.273 0.000 1.012 260 T CA -0.233 61.715 62.100 -0.253 0.000 0.982 260 T CB 1.123 69.763 68.868 -0.381 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 3.010 123.405 120.570 -0.292 0.000 2.359 261 I HA 0.404 4.574 4.170 -0.001 0.000 0.294 261 I C -1.071 174.838 176.117 -0.347 0.000 0.987 261 I CA -0.793 60.399 61.300 -0.180 0.000 1.225 261 I CB 1.089 39.101 38.000 0.021 0.000 1.366 261 I HN 0.631 nan 8.210 nan 0.000 0.466 262 Y N 6.240 126.517 120.300 -0.039 0.000 2.364 262 Y HA 0.493 5.043 4.550 -0.001 0.000 0.340 262 Y C -0.298 175.582 175.900 -0.034 0.000 0.975 262 Y CA -0.726 57.352 58.100 -0.037 0.000 1.089 262 Y CB 1.550 39.980 38.460 -0.050 0.000 1.192 262 Y HN 0.296 nan 8.280 nan 0.000 0.454 263 L N 5.268 126.560 121.223 0.116 0.000 2.287 263 L HA 0.462 4.802 4.340 -0.001 0.000 0.287 263 L C -0.820 176.087 176.870 0.061 0.000 1.022 263 L CA -0.587 54.293 54.840 0.066 0.000 0.814 263 L CB 0.719 42.801 42.059 0.039 0.000 1.217 263 L HN 0.478 nan 8.230 nan 0.000 0.420 264 I N 2.395 122.988 120.570 0.039 0.000 2.392 264 I HA 0.406 4.575 4.170 -0.001 0.000 0.295 264 I C 0.902 177.031 176.117 0.019 0.000 0.985 264 I CA -0.224 61.088 61.300 0.020 0.000 1.221 264 I CB 1.425 39.420 38.000 -0.008 0.000 1.366 264 I HN 0.554 nan 8.210 nan 0.000 0.467 265 G N 3.288 112.100 108.800 0.020 0.000 2.562 265 G HA2 0.181 4.140 3.960 -0.001 0.000 0.275 265 G HA3 0.181 4.140 3.960 -0.001 0.000 0.275 265 G C 0.451 175.398 174.900 0.079 0.000 1.196 265 G CA -0.342 44.788 45.100 0.051 0.000 0.908 265 G HN 0.592 nan 8.290 nan 0.000 0.524 266 F N 0.688 120.620 119.950 -0.030 0.000 2.192 266 F HA -0.166 4.360 4.527 -0.001 0.000 0.301 266 F C 2.166 177.880 175.800 -0.144 0.000 1.079 266 F CA 2.042 59.952 58.000 -0.150 0.000 1.303 266 F CB 0.238 39.026 39.000 -0.353 0.000 1.024 266 F HN 0.437 nan 8.300 nan 0.000 0.494 267 D N -1.021 119.370 120.400 -0.014 0.000 2.319 267 D HA 0.152 4.791 4.640 -0.001 0.000 0.230 267 D C 1.781 178.053 176.300 -0.047 0.000 1.094 267 D CA 0.679 54.666 54.000 -0.022 0.000 0.856 267 D CB -0.598 40.355 40.800 0.255 0.000 0.915 267 D HN 0.402 nan 8.370 nan 0.000 0.517 268 G N -0.612 108.139 108.800 -0.082 0.000 2.184 268 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.264 268 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.264 268 G C 0.474 175.352 174.900 -0.037 0.000 0.975 268 G CA 0.496 45.552 45.100 -0.073 0.000 0.642 268 G HN 0.512 nan 8.290 nan 0.000 0.536 269 T N 1.681 116.235 114.554 -0.001 0.000 2.910 269 T HA 0.505 4.854 4.350 -0.001 0.000 0.293 269 T C 0.712 175.418 174.700 0.010 0.000 1.015 269 T CA 0.626 62.734 62.100 0.013 0.000 1.094 269 T CB 0.836 69.734 68.868 0.051 0.000 0.968 269 T HN 0.196 nan 8.240 nan 0.000 0.521 270 T N 3.617 118.180 114.554 0.015 0.000 2.769 270 T HA 0.149 4.499 4.350 -0.001 0.000 0.293 270 T C 1.467 176.194 174.700 0.045 0.000 0.931 270 T CA -0.474 61.655 62.100 0.047 0.000 1.139 270 T CB 0.696 69.617 68.868 0.088 0.000 0.881 270 T HN 0.364 nan 8.240 nan 0.000 0.532 271 V N 4.113 124.049 119.914 0.036 0.000 2.426 271 V HA 0.267 4.386 4.120 -0.001 0.000 0.242 271 V C 0.712 176.820 176.094 0.024 0.000 1.036 271 V CA 0.919 63.225 62.300 0.010 0.000 1.044 271 V CB -0.032 31.780 31.823 -0.017 0.000 0.688 271 V HN 0.723 nan 8.190 nan 0.000 0.462 272 I N -0.377 120.217 120.570 0.040 0.000 2.619 272 I HA 0.432 4.602 4.170 -0.001 0.000 0.292 272 I C -0.581 175.552 176.117 0.027 0.000 1.100 272 I CA -0.062 61.254 61.300 0.026 0.000 1.043 272 I CB 2.440 40.448 38.000 0.012 0.000 1.239 272 I HN 0.047 nan 8.210 nan 0.000 0.420 273 T N 5.692 120.236 114.554 -0.018 0.000 2.840 273 T HA 0.577 4.926 4.350 -0.001 0.000 0.287 273 T C -1.002 173.596 174.700 -0.170 0.000 0.991 273 T CA -0.667 61.349 62.100 -0.140 0.000 0.964 273 T CB 0.695 69.524 68.868 -0.065 0.000 0.954 273 T HN 0.418 nan 8.240 nan 0.000 0.438 274 R N 3.320 123.678 120.500 -0.237 0.000 2.483 274 R HA 0.599 4.938 4.340 -0.001 0.000 0.303 274 R C -0.283 175.891 176.300 -0.209 0.000 0.987 274 R CA -0.688 55.311 56.100 -0.168 0.000 0.881 274 R CB 1.539 31.780 30.300 -0.098 0.000 1.177 274 R HN 0.847 nan 8.270 nan 0.000 0.451 275 A N 2.784 125.498 122.820 -0.176 0.000 2.491 275 A HA 0.190 4.510 4.320 -0.001 0.000 0.261 275 A C 1.084 178.562 177.584 -0.177 0.000 1.101 275 A CA -0.187 51.746 52.037 -0.172 0.000 0.772 275 A CB 0.370 19.292 19.000 -0.129 0.000 1.043 275 A HN 0.525 nan 8.150 nan 0.000 0.501 276 V N 1.987 121.767 119.914 -0.223 0.000 2.949 276 V HA 0.351 4.471 4.120 -0.001 0.000 0.245 276 V C 1.108 177.016 176.094 -0.310 0.000 1.086 276 V CA 1.697 63.802 62.300 -0.326 0.000 1.097 276 V CB -0.137 31.363 31.823 -0.537 0.000 0.762 276 V HN 1.190 nan 8.190 nan 0.000 0.470 277 A N -0.267 122.407 122.820 -0.243 0.000 2.485 277 A HA 0.819 5.138 4.320 -0.001 0.000 0.285 277 A C -0.714 176.774 177.584 -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 0.412 nan 8.150 nan 0.000 0.406 278 A N 2.269 125.013 122.820 -0.126 0.000 2.337 278 A HA 0.789 5.109 4.320 -0.001 0.000 0.331 278 A C 0.343 177.872 177.584 -0.091 0.000 1.137 278 A CA -0.119 51.858 52.037 -0.101 0.000 0.807 278 A CB 0.316 19.269 19.000 -0.079 0.000 1.250 278 A HN 2.299 nan 8.150 nan 0.000 0.468 279 N N 1.010 119.662 118.700 -0.079 0.000 2.558 279 N HA -0.225 4.514 4.740 -0.001 0.000 0.302 279 N C -0.901 174.561 175.510 -0.079 0.000 1.322 279 N CA 1.035 54.045 53.050 -0.066 0.000 0.687 279 N CB -0.375 38.086 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 -0.001 0.000 0.271 280 N C -0.374 175.067 175.510 -0.114 0.000 1.181 280 N CA 0.147 53.129 53.050 -0.113 0.000 0.805 280 N CB 1.012 39.403 38.487 -0.160 0.000 1.351 280 N HN 0.581 nan 8.380 nan 0.000 0.539 281 G N 2.359 111.117 108.800 -0.070 0.000 2.398 281 G HA2 0.366 4.325 3.960 -0.001 0.000 0.246 281 G HA3 0.366 4.325 3.960 -0.001 0.000 0.246 281 G C -0.022 174.846 174.900 -0.054 0.000 1.289 281 G CA -0.117 44.954 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.911 123.108 121.223 -0.044 0.000 2.295 282 L HA 0.347 4.687 4.340 -0.001 0.000 0.285 282 L C 0.432 177.308 176.870 0.009 0.000 1.035 282 L CA -0.700 54.122 54.840 -0.029 0.000 0.806 282 L CB 1.732 43.768 42.059 -0.039 0.000 1.214 282 L HN 0.393 nan 8.230 nan 0.000 0.426 283 T N 0.690 115.255 114.554 0.018 0.000 2.882 283 T HA 0.221 4.570 4.350 -0.001 0.000 0.287 283 T C 0.326 175.034 174.700 0.013 0.000 0.992 283 T CA -0.458 61.660 62.100 0.030 0.000 1.076 283 T CB 1.263 70.153 68.868 0.036 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.273 116.816 114.554 -0.018 0.000 2.919 284 T HA 0.420 4.770 4.350 -0.001 0.000 0.302 284 T C 1.440 176.138 174.700 -0.005 0.000 1.031 284 T CA 0.689 62.744 62.100 -0.075 0.000 1.127 284 T CB 0.450 69.173 68.868 -0.241 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.832 111.633 108.800 0.002 0.000 2.203 285 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.263 285 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.263 285 G C 0.201 175.119 174.900 0.030 0.000 1.012 285 G CA 0.382 45.495 45.100 0.021 0.000 0.749 285 G HN 0.914 nan 8.290 nan 0.000 0.512 286 T N -0.218 114.358 114.554 0.036 0.000 2.883 286 T HA 0.489 4.838 4.350 -0.001 0.000 0.301 286 T C -0.889 173.841 174.700 0.050 0.000 1.158 286 T CA -0.845 61.278 62.100 0.039 0.000 1.007 286 T CB 1.873 70.762 68.868 0.036 0.000 1.186 286 T HN 0.073 nan 8.240 nan 0.000 0.499 287 D N 2.217 122.644 120.400 0.046 0.000 2.425 287 D HA 0.173 4.812 4.640 -0.001 0.000 0.247 287 D C -0.314 176.024 176.300 0.063 0.000 1.147 287 D CA 0.311 54.344 54.000 0.054 0.000 0.879 287 D CB 0.345 41.169 40.800 0.040 0.000 1.179 287 D HN 0.379 nan 8.370 nan 0.000 0.456 288 N N 1.694 120.451 118.700 0.095 0.000 2.476 288 N HA 0.281 5.021 4.740 -0.001 0.000 0.257 288 N C -0.598 174.996 175.510 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 1.727 123.005 121.223 0.090 0.000 2.326 289 L HA 0.460 4.800 4.340 -0.001 0.000 0.278 289 L C 0.104 177.037 176.870 0.104 0.000 1.092 289 L CA -0.173 54.724 54.840 0.095 0.000 0.810 289 L CB 0.906 43.000 42.059 0.058 0.000 1.153 289 L HN 0.465 nan 8.230 nan 0.000 0.439 290 M N 5.596 125.288 119.600 0.152 0.000 1.987 290 M HA 0.397 4.876 4.480 -0.001 0.000 0.298 290 M C -2.617 173.756 176.300 0.121 0.000 0.892 290 M CA -1.609 53.758 55.300 0.111 0.000 0.885 290 M CB 1.595 34.333 32.600 0.231 0.000 1.469 290 M HN 0.198 nan 8.290 nan 0.000 0.389 291 P HA 0.323 nan 4.420 nan 0.000 0.276 291 P C -1.354 175.953 177.300 0.012 0.000 1.244 291 P CA -0.037 63.127 63.100 0.108 0.000 0.801 291 P CB 0.504 32.232 31.700 0.046 0.000 1.006 292 F N 1.325 121.289 119.950 0.024 0.000 2.427 292 F HA 0.371 4.897 4.527 -0.001 0.000 0.348 292 F C 0.773 176.585 175.800 0.021 0.000 1.125 292 F CA -0.140 57.874 58.000 0.024 0.000 0.989 292 F CB 0.974 39.996 39.000 0.037 0.000 1.165 292 F HN 0.127 nan 8.300 nan 0.000 0.442 293 N N 5.352 124.112 118.700 0.100 0.000 2.679 293 N HA 0.248 4.988 4.740 -0.001 0.000 0.302 293 N C -1.128 174.419 175.510 0.062 0.000 1.941 293 N CA -0.053 53.042 53.050 0.075 0.000 0.875 293 N CB 1.126 39.632 38.487 0.033 0.000 1.278 293 N HN 0.435 nan 8.380 nan 0.000 0.490 294 L N 0.915 122.196 121.223 0.096 0.000 2.289 294 L HA 0.546 4.885 4.340 -0.001 0.000 0.285 294 L C -0.042 176.876 176.870 0.080 0.000 1.049 294 L CA -0.794 54.091 54.840 0.074 0.000 0.804 294 L CB 1.754 43.869 42.059 0.093 0.000 1.195 294 L HN -0.205 nan 8.230 nan 0.000 0.428 295 V N 4.814 124.767 119.914 0.065 0.000 2.444 295 V HA 0.395 4.514 4.120 -0.001 0.000 0.294 295 V C -0.261 175.872 176.094 0.064 0.000 1.022 295 V CA -0.376 61.973 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 8.523 129.139 120.570 0.075 0.000 2.328 296 I HA 0.423 4.593 4.170 -0.001 0.000 0.287 296 I C -2.128 174.029 176.117 0.067 0.000 1.012 296 I CA -1.871 59.463 61.300 0.057 0.000 1.195 296 I CB 1.958 39.986 38.000 0.047 0.000 1.350 296 I HN 0.438 nan 8.210 nan 0.000 0.464 297 P HA 0.141 nan 4.420 nan 0.000 0.274 297 P C 0.639 177.964 177.300 0.042 0.000 1.231 297 P CA -0.233 62.894 63.100 0.045 0.000 0.790 297 P CB 0.809 32.526 31.700 0.028 0.000 0.951 298 T N 1.030 115.611 114.554 0.044 0.000 2.653 298 T HA -0.196 4.153 4.350 -0.001 0.000 0.268 298 T C 1.608 176.323 174.700 0.025 0.000 1.035 298 T CA 2.107 64.231 62.100 0.039 0.000 1.154 298 T CB -0.911 67.983 68.868 0.043 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.367 120.081 118.700 0.023 0.000 2.443 299 N HA -0.152 4.587 4.740 -0.001 0.000 0.184 299 N C 1.390 176.910 175.510 0.017 0.000 1.037 299 N CA 0.998 54.060 53.050 0.020 0.000 0.896 299 N CB -0.211 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 0.189 120.398 120.200 0.016 0.000 2.371 300 E HA 0.155 4.505 4.350 -0.001 0.000 0.194 300 E C 0.169 176.771 176.600 0.003 0.000 1.012 300 E CA 0.088 56.495 56.400 0.011 0.000 0.860 300 E CB 0.212 29.920 29.700 0.013 0.000 0.811 300 E HN 0.439 nan 8.360 nan 0.000 0.502 301 I N 2.352 122.922 120.570 -0.001 0.000 2.260 301 I HA -0.023 4.147 4.170 -0.001 0.000 0.297 301 I C 1.400 177.490 176.117 -0.045 0.000 1.143 301 I CA -0.060 61.228 61.300 -0.021 0.000 1.271 301 I CB 0.721 38.713 38.000 -0.013 0.000 1.461 301 I HN 0.035 nan 8.210 nan 0.000 0.530 302 T N 1.608 116.121 114.554 -0.067 0.000 3.055 302 T HA -0.004 4.345 4.350 -0.001 0.000 0.265 302 T C 0.523 175.066 174.700 -0.262 0.000 1.111 302 T CA 0.299 62.350 62.100 -0.082 0.000 1.118 302 T CB -0.074 68.773 68.868 -0.036 0.000 0.909 302 T HN 0.693 nan 8.240 nan 0.000 0.501 303 Q N -0.580 119.004 119.800 -0.361 0.000 2.522 303 Q HA 0.549 4.889 4.340 -0.001 0.000 0.285 303 Q C -3.481 172.394 176.000 -0.210 0.000 0.982 303 Q CA -2.562 52.899 55.803 -0.569 0.000 0.805 303 Q CB 0.812 28.735 28.738 -1.359 0.000 1.457 303 Q HN -0.120 nan 8.270 nan 0.000 0.394 304 P HA -0.021 nan 4.420 nan 0.000 0.261 304 P C -0.588 176.743 177.300 0.051 0.000 1.173 304 P CA 0.218 63.343 63.100 0.042 0.000 0.760 304 P CB 0.248 32.063 31.700 0.192 0.000 0.783 305 I N 3.152 123.743 120.570 0.036 0.000 2.441 305 I HA 0.072 4.242 4.170 -0.001 0.000 0.287 305 I C 1.533 177.690 176.117 0.066 0.000 1.049 305 I CA 0.682 62.006 61.300 0.041 0.000 1.381 305 I CB 0.390 38.405 38.000 0.026 0.000 1.409 305 I HN 0.350 nan 8.210 nan 0.000 0.523 306 T N 3.303 117.895 114.554 0.063 0.000 2.955 306 T HA 0.129 4.479 4.350 -0.001 0.000 0.251 306 T C 0.442 175.151 174.700 0.015 0.000 1.002 306 T CA 0.291 62.435 62.100 0.073 0.000 0.970 306 T CB 0.358 69.305 68.868 0.132 0.000 1.091 306 T HN 0.805 nan 8.240 nan 0.000 0.495 307 S N 0.103 115.801 115.700 -0.004 0.000 2.588 307 S HA 0.719 5.189 4.470 -0.001 0.000 0.269 307 S C -1.486 173.107 174.600 -0.012 0.000 1.157 307 S CA -0.944 57.241 58.200 -0.025 0.000 0.824 307 S CB 1.839 65.026 63.200 -0.021 0.000 1.126 307 S HN 0.273 nan 8.310 nan 0.000 0.464 308 I N 1.224 121.792 120.570 -0.003 0.000 2.545 308 I HA 0.713 4.883 4.170 -0.001 0.000 0.292 308 I C -1.333 174.774 176.117 -0.018 0.000 1.040 308 I CA -0.702 60.611 61.300 0.023 0.000 1.068 308 I CB 1.744 39.778 38.000 0.057 0.000 1.251 308 I HN 1.017 nan 8.210 nan 0.000 0.424 309 K N 6.358 126.710 120.400 -0.079 0.000 2.477 309 K HA 0.657 4.977 4.320 -0.001 0.000 0.255 309 K C -2.028 174.396 176.600 -0.293 0.000 0.952 309 K CA -0.966 55.150 56.287 -0.285 0.000 0.826 309 K CB 2.437 34.841 32.500 -0.160 0.000 1.331 309 K HN 0.468 nan 8.250 nan 0.000 0.437 310 L N 1.105 121.971 121.223 -0.595 0.000 2.349 310 L HA 0.437 4.777 4.340 -0.001 0.000 0.278 310 L C -1.183 175.623 176.870 -0.107 0.000 0.996 310 L CA -0.001 54.661 54.840 -0.296 0.000 0.825 310 L CB 1.766 43.607 42.059 -0.362 0.000 1.243 310 L HN 0.777 nan 8.230 nan 0.000 0.412 311 E N 5.145 125.385 120.200 0.067 0.000 2.214 311 E HA 0.572 4.922 4.350 -0.001 0.000 0.274 311 E C -1.138 175.508 176.600 0.076 0.000 0.977 311 E CA -0.613 55.848 56.400 0.101 0.000 0.827 311 E CB 2.326 32.151 29.700 0.209 0.000 1.130 311 E HN 0.542 nan 8.360 nan 0.000 0.394 312 I N 2.259 122.875 120.570 0.077 0.000 2.466 312 I HA 0.259 4.429 4.170 -0.001 0.000 0.289 312 I C -0.789 175.341 176.117 0.022 0.000 1.026 312 I CA -1.004 60.313 61.300 0.029 0.000 1.078 312 I CB 1.905 39.935 38.000 0.050 0.000 1.249 312 I HN 0.171 nan 8.210 nan 0.000 0.429 313 V N 4.220 124.121 119.914 -0.022 0.000 2.427 313 V HA 0.489 4.609 4.120 -0.001 0.000 0.286 313 V C 0.025 176.105 176.094 -0.023 0.000 1.034 313 V CA -0.403 61.897 62.300 -0.000 0.000 0.893 313 V CB 1.480 33.305 31.823 0.003 0.000 0.982 313 V HN 0.731 nan 8.190 nan 0.000 0.452 314 T N 3.690 118.269 114.554 0.042 0.000 2.809 314 T HA 0.655 5.005 4.350 -0.001 0.000 0.284 314 T C -0.130 174.659 174.700 0.148 0.000 0.992 314 T CA -0.519 61.640 62.100 0.099 0.000 0.957 314 T CB 1.390 70.379 68.868 0.201 0.000 0.942 314 T HN 0.929 nan 8.240 nan 0.000 0.439 315 S N 2.624 118.402 115.700 0.131 0.000 2.627 315 S HA 0.783 5.252 4.470 -0.001 0.000 0.283 315 S C -1.209 173.500 174.600 0.180 0.000 1.127 315 S CA -1.129 57.180 58.200 0.181 0.000 0.863 315 S CB 2.343 65.624 63.200 0.135 0.000 1.121 315 S HN 0.558 nan 8.310 nan 0.000 0.479 316 K N 0.172 120.711 120.400 0.231 0.000 2.316 316 K HA 0.566 4.885 4.320 -0.001 0.000 0.251 316 K C 0.663 177.286 176.600 0.037 0.000 0.934 316 K CA -0.660 55.684 56.287 0.095 0.000 0.802 316 K CB 1.831 34.334 32.500 0.004 0.000 1.171 316 K HN 0.642 nan 8.250 nan 0.000 0.426 317 S N 1.242 116.947 115.700 0.008 0.000 2.354 317 S HA -0.167 4.303 4.470 -0.001 0.000 0.219 317 S C 1.524 176.094 174.600 -0.049 0.000 1.035 317 S CA 1.618 59.816 58.200 -0.004 0.000 1.037 317 S CB -0.363 62.836 63.200 -0.001 0.000 0.956 317 S HN 0.890 nan 8.310 nan 0.000 0.428 318 G N 0.535 109.277 108.800 -0.097 0.000 2.707 318 G HA2 0.377 4.337 3.960 -0.001 0.000 0.204 318 G HA3 0.377 4.337 3.960 -0.001 0.000 0.204 318 G C 0.578 175.299 174.900 -0.297 0.000 1.435 318 G CA 0.425 45.440 45.100 -0.141 0.000 0.890 318 G HN 1.301 nan 8.290 nan 0.000 0.552 319 G N -2.392 106.107 108.800 -0.502 0.000 2.788 319 G HA2 0.295 4.254 3.960 -0.001 0.000 0.686 319 G HA3 0.295 4.254 3.960 -0.001 0.000 0.686 319 G C -0.761 173.845 174.900 -0.491 0.000 1.147 319 G CA 0.166 44.585 45.100 -1.134 0.000 0.755 319 G HN 0.717 nan 8.290 nan 0.000 0.634 320 Q N -0.491 119.138 119.800 -0.285 0.000 2.870 320 Q HA 0.795 5.135 4.340 -0.001 0.000 0.366 320 Q C 1.501 177.622 176.000 0.202 0.000 0.738 320 Q CA 0.051 55.871 55.803 0.028 0.000 0.870 320 Q CB 0.619 29.347 28.738 -0.016 0.000 1.237 320 Q HN 1.479 nan 8.270 nan 0.000 0.497 321 A N 0.395 123.285 122.820 0.117 0.000 1.889 321 A HA 0.228 4.548 4.320 -0.001 0.000 0.209 321 A C 0.854 178.507 177.584 0.114 0.000 1.315 321 A CA 1.472 53.574 52.037 0.108 0.000 0.611 321 A CB -1.260 17.775 19.000 0.059 0.000 0.950 321 A HN 0.508 nan 8.150 nan 0.000 0.477 322 G N -0.988 107.853 108.800 0.069 0.000 2.350 322 G HA2 0.457 4.417 3.960 -0.001 0.000 0.306 322 G HA3 0.457 4.417 3.960 -0.001 0.000 0.306 322 G C -0.576 174.356 174.900 0.055 0.000 1.094 322 G CA -0.049 45.086 45.100 0.057 0.000 0.953 322 G HN 0.320 nan 8.290 nan 0.000 0.420 323 D N 0.625 121.072 120.400 0.078 0.000 2.473 323 D HA 0.036 4.676 4.640 -0.001 0.000 0.242 323 D C 0.346 176.677 176.300 0.052 0.000 1.106 323 D CA 0.186 54.220 54.000 0.057 0.000 0.854 323 D CB 0.354 41.185 40.800 0.052 0.000 1.192 323 D HN 0.343 nan 8.370 nan 0.000 0.503 324 Q N 0.777 120.608 119.800 0.051 0.000 2.499 324 Q HA -0.185 4.154 4.340 -0.001 0.000 0.262 324 Q C -0.342 175.679 176.000 0.034 0.000 1.328 324 Q CA 0.781 56.591 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 1.030 120.667 119.600 0.063 0.000 2.157 325 M HA 0.538 5.018 4.480 -0.001 0.000 0.354 325 M C 0.278 176.630 176.300 0.087 0.000 1.170 325 M CA -0.433 54.953 55.300 0.143 0.000 1.060 325 M CB 1.795 34.565 32.600 0.282 0.000 1.615 325 M HN 0.484 nan 8.290 nan 0.000 0.460 326 S N 3.053 118.822 115.700 0.115 0.000 2.541 326 S HA 0.866 5.336 4.470 -0.001 0.000 0.280 326 S C -1.458 173.276 174.600 0.222 0.000 1.112 326 S CA -0.836 57.389 58.200 0.041 0.000 0.925 326 S CB 1.739 64.913 63.200 -0.044 0.000 1.067 326 S HN 0.968 nan 8.310 nan 0.000 0.479 327 W N 0.191 121.676 121.300 0.308 0.000 3.118 327 W HA 0.721 5.381 4.660 -0.000 0.000 0.328 327 W C -1.227 175.425 176.519 0.221 0.000 1.239 327 W CA -0.873 56.618 57.345 0.244 0.000 1.176 327 W CB 1.252 30.873 29.460 0.269 0.000 1.433 327 W HN 0.707 nan 8.180 nan 0.000 0.562 328 S N 1.060 117.117 115.700 0.596 0.000 2.475 328 S HA 0.807 5.276 4.470 -0.001 0.000 0.298 328 S C -0.723 174.154 174.600 0.462 0.000 1.119 328 S CA -0.224 58.224 58.200 0.414 0.000 1.085 328 S CB 1.004 64.324 63.200 0.199 0.000 1.028 328 S HN 0.832 nan 8.310 nan 0.000 0.489 329 A N 4.470 127.509 122.820 0.366 0.000 2.414 329 A HA 0.871 5.191 4.320 -0.001 0.000 0.306 329 A C -0.603 176.967 177.584 -0.024 0.000 1.054 329 A CA -0.782 51.236 52.037 -0.031 0.000 0.724 329 A CB 1.442 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 0.768 121.165 120.500 -0.172 0.000 2.651 330 R HA 0.683 5.023 4.340 -0.001 0.000 0.278 330 R C -0.581 175.644 176.300 -0.125 0.000 1.010 330 R CA 0.337 56.386 56.100 -0.085 0.000 0.896 330 R CB 2.193 32.466 30.300 -0.045 0.000 1.211 330 R HN 2.073 nan 8.270 nan 0.000 0.456 331 G N 0.915 109.662 108.800 -0.089 0.000 2.333 331 G HA2 0.093 4.052 3.960 -0.001 0.000 0.330 331 G HA3 0.093 4.052 3.960 -0.001 0.000 0.330 331 G C -1.715 173.115 174.900 -0.117 0.000 1.465 331 G CA -0.639 44.405 45.100 -0.092 0.000 0.996 331 G HN 0.568 nan 8.290 nan 0.000 0.655 332 S N -0.540 115.087 115.700 -0.121 0.000 2.566 332 S HA 0.883 5.353 4.470 -0.001 0.000 0.298 332 S C -0.277 174.207 174.600 -0.194 0.000 1.083 332 S CA -0.961 57.139 58.200 -0.166 0.000 0.978 332 S CB 2.090 65.211 63.200 -0.131 0.000 1.073 332 S HN 0.770 nan 8.310 nan 0.000 0.491 333 L N 0.904 121.974 121.223 -0.256 0.000 2.319 333 L HA 0.886 5.225 4.340 -0.001 0.000 0.267 333 L C -0.266 176.514 176.870 -0.150 0.000 1.011 333 L CA -1.131 53.552 54.840 -0.262 0.000 0.818 333 L CB 1.789 43.608 42.059 -0.399 0.000 1.316 333 L HN 0.846 nan 8.230 nan 0.000 0.432 334 A N 1.663 124.431 122.820 -0.086 0.000 2.330 334 A HA 0.719 5.039 4.320 -0.001 0.000 0.313 334 A C -0.894 176.696 177.584 0.009 0.000 1.124 334 A CA -0.471 51.550 52.037 -0.027 0.000 0.774 334 A CB 1.495 20.485 19.000 -0.016 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 0.401 4.520 4.120 -0.001 0.000 0.278 335 V C 0.110 176.253 176.094 0.081 0.000 1.021 335 V CA -0.223 62.133 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 7.033 121.575 114.554 -0.019 0.000 2.743 336 T HA 0.483 4.833 4.350 -0.001 0.000 0.292 336 T C -0.022 174.531 174.700 -0.244 0.000 0.972 336 T CA -0.148 61.880 62.100 -0.120 0.000 0.967 336 T CB 0.643 69.421 68.868 -0.149 0.000 0.926 336 T HN 0.615 nan 8.240 nan 0.000 0.459 337 I N 1.848 122.328 120.570 -0.149 0.000 2.312 337 I HA 0.407 4.576 4.170 -0.001 0.000 0.290 337 I C -0.245 175.788 176.117 -0.140 0.000 1.008 337 I CA -0.805 60.404 61.300 -0.152 0.000 1.226 337 I CB 0.692 38.708 38.000 0.026 0.000 1.371 337 I HN 0.545 nan 8.210 nan 0.000 0.468 338 H N 5.351 124.447 119.070 0.043 0.000 2.886 338 H HA 0.133 4.688 4.556 -0.001 0.000 0.329 338 H C 1.478 176.818 175.328 0.020 0.000 1.044 338 H CA 1.057 57.121 56.048 0.027 0.000 1.456 338 H CB 0.864 30.638 29.762 0.021 0.000 1.464 338 H HN 1.027 nan 8.280 nan 0.000 0.573 339 G N 2.674 111.554 108.800 0.134 0.000 2.180 339 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.263 339 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.263 339 G C 1.555 176.506 174.900 0.085 0.000 0.989 339 G CA 0.841 45.989 45.100 0.080 0.000 0.692 339 G HN 0.868 nan 8.290 nan 0.000 0.526 340 G N 0.126 108.965 108.800 0.065 0.000 2.450 340 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.220 340 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.220 340 G C 1.329 176.261 174.900 0.053 0.000 1.130 340 G CA 1.305 46.438 45.100 0.056 0.000 0.760 340 G HN 0.519 nan 8.290 nan 0.000 0.557 341 N N -0.860 117.865 118.700 0.041 0.000 2.336 341 N HA 0.061 4.801 4.740 -0.001 0.000 0.189 341 N C -0.275 175.263 175.510 0.047 0.000 1.113 341 N CA -0.475 52.586 53.050 0.019 0.000 0.858 341 N CB -0.115 38.360 38.487 -0.020 0.000 0.970 341 N HN 0.429 nan 8.380 nan 0.000 0.471 342 Y N 2.696 122.979 120.300 -0.029 0.000 2.605 342 Y HA 0.140 4.690 4.550 -0.001 0.000 0.336 342 Y C -2.101 173.775 175.900 -0.040 0.000 1.111 342 Y CA -2.010 56.068 58.100 -0.036 0.000 1.422 342 Y CB 0.494 38.925 38.460 -0.049 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 0.526 177.751 177.300 -0.126 0.000 1.185 343 P CA 1.952 64.905 63.100 -0.245 0.000 0.763 343 P CB 0.483 31.986 31.700 -0.329 0.000 0.776 344 G N 3.264 112.081 108.800 0.029 0.000 2.313 344 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.215 344 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.215 344 G C 1.208 176.226 174.900 0.196 0.000 1.023 344 G CA 0.331 45.509 45.100 0.129 0.000 0.626 344 G HN 0.612 nan 8.290 nan 0.000 0.503 345 A N -0.207 122.713 122.820 0.165 0.000 1.969 345 A HA 0.539 4.859 4.320 -0.001 0.000 0.218 345 A C 2.185 179.892 177.584 0.204 0.000 1.169 345 A CA 2.042 54.139 52.037 0.100 0.000 0.635 345 A CB -0.196 18.841 19.000 0.062 0.000 0.810 345 A HN 0.978 nan 8.150 nan 0.000 0.445 346 L N -3.776 117.550 121.223 0.171 0.000 3.316 346 L HA 0.203 4.543 4.340 -0.001 0.000 0.300 346 L C 2.055 179.054 176.870 0.214 0.000 1.128 346 L CA 0.194 55.133 54.840 0.164 0.000 1.111 346 L CB 0.067 42.204 42.059 0.130 0.000 1.687 346 L HN 0.294 nan 8.230 nan 0.000 0.594 347 R N 1.738 122.334 120.500 0.159 0.000 2.072 347 R HA 0.078 4.418 4.340 -0.001 0.000 0.221 347 R C -1.769 174.597 176.300 0.109 0.000 1.166 347 R CA 0.699 56.858 56.100 0.097 0.000 0.917 347 R CB -0.907 29.405 30.300 0.021 0.000 0.815 347 R HN 0.020 nan 8.270 nan 0.000 0.444 348 P HA 0.122 nan 4.420 nan 0.000 0.275 348 P C -1.303 176.110 177.300 0.188 0.000 1.227 348 P CA 0.143 63.292 63.100 0.081 0.000 0.781 348 P CB 1.506 33.232 31.700 0.043 0.000 0.906 349 V N 3.303 123.332 119.914 0.193 0.000 2.588 349 V HA 0.387 4.507 4.120 -0.001 0.000 0.304 349 V C 0.079 176.248 176.094 0.126 0.000 1.042 349 V CA -0.288 62.119 62.300 0.179 0.000 0.877 349 V CB 2.239 34.187 31.823 0.209 0.000 0.996 349 V HN 0.468 nan 8.190 nan 0.000 0.425 350 T N 6.046 120.647 114.554 0.078 0.000 2.770 350 T HA 0.630 4.980 4.350 -0.001 0.000 0.283 350 T C -0.615 174.117 174.700 0.054 0.000 0.988 350 T CA -0.281 61.875 62.100 0.093 0.000 0.957 350 T CB 0.921 69.867 68.868 0.130 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.101 125.329 121.223 0.008 0.000 2.282 351 L HA 0.554 4.893 4.340 -0.001 0.000 0.288 351 L C -0.353 176.524 176.870 0.012 0.000 1.033 351 L CA -0.422 54.384 54.840 -0.056 0.000 0.807 351 L CB 1.686 43.679 42.059 -0.110 0.000 1.209 351 L HN 0.384 nan 8.230 nan 0.000 0.423 352 V N 3.424 123.355 119.914 0.027 0.000 2.326 352 V HA 0.748 4.868 4.120 -0.001 0.000 0.281 352 V C 0.092 176.263 176.094 0.130 0.000 1.015 352 V CA -0.671 61.693 62.300 0.107 0.000 0.823 352 V CB 1.262 33.211 31.823 0.210 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.575 128.468 122.820 0.121 0.000 2.317 353 A HA 0.914 5.233 4.320 -0.001 0.000 0.327 353 A C -0.894 176.922 177.584 0.388 0.000 1.178 353 A CA -0.481 51.663 52.037 0.178 0.000 0.817 353 A CB 0.837 19.917 19.000 0.132 0.000 1.189 353 A HN 0.977 nan 8.150 nan 0.000 0.489 354 Y N -0.015 120.480 120.300 0.325 0.000 2.524 354 Y HA 0.795 5.344 4.550 -0.001 0.000 0.344 354 Y C -0.310 175.657 175.900 0.113 0.000 1.012 354 Y CA -0.945 57.315 58.100 0.267 0.000 1.068 354 Y CB 1.363 39.917 38.460 0.157 0.000 1.249 354 Y HN 0.851 nan 8.280 nan 0.000 0.468 355 E N 0.808 121.023 120.200 0.024 0.000 2.412 355 E HA 0.565 4.914 4.350 -0.001 0.000 0.279 355 E C -0.560 175.992 176.600 -0.081 0.000 0.984 355 E CA -1.287 55.008 56.400 -0.176 0.000 0.788 355 E CB 1.519 30.880 29.700 -0.565 0.000 1.277 355 E HN 0.582 nan 8.360 nan 0.000 0.455 356 R N -0.892 119.573 120.500 -0.059 0.000 3.989 356 R HA -0.102 4.238 4.340 -0.001 0.000 0.377 356 R C -0.444 175.871 176.300 0.025 0.000 1.158 356 R CA 0.855 56.938 56.100 -0.028 0.000 1.035 356 R CB -2.821 27.444 30.300 -0.058 0.000 1.557 356 R HN 0.484 nan 8.270 nan 0.000 0.551 357 V N 1.404 121.367 119.914 0.082 0.000 2.614 357 V HA 0.438 4.558 4.120 -0.001 0.000 0.291 357 V C 1.449 177.577 176.094 0.058 0.000 1.049 357 V CA -0.042 62.304 62.300 0.078 0.000 1.038 357 V CB 1.536 33.424 31.823 0.108 0.000 0.980 357 V HN 0.366 nan 8.190 nan 0.000 0.481 358 A N 3.863 126.702 122.820 0.031 0.000 2.511 358 A HA 0.323 4.642 4.320 -0.001 0.000 0.242 358 A C 0.766 178.369 177.584 0.031 0.000 1.069 358 A CA -0.003 52.049 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 0.866 nan 8.150 nan 0.000 0.498 359 T N 1.872 116.445 114.554 0.031 0.000 2.908 359 T HA 0.400 4.750 4.350 -0.001 0.000 0.301 359 T C 1.543 176.259 174.700 0.026 0.000 1.019 359 T CA 1.617 63.738 62.100 0.036 0.000 1.152 359 T CB 0.405 69.289 68.868 0.027 0.000 0.966 359 T HN 2.026 nan 8.240 nan 0.000 0.540 360 G N 2.716 111.534 108.800 0.030 0.000 2.175 360 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.244 360 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.244 360 G C 0.376 175.281 174.900 0.009 0.000 0.982 360 G CA 0.111 45.223 45.100 0.019 0.000 0.641 360 G HN 1.132 nan 8.290 nan 0.000 0.527 361 S N -0.700 115.003 115.700 0.004 0.000 2.632 361 S HA 0.720 5.189 4.470 -0.001 0.000 0.267 361 S C 0.146 174.726 174.600 -0.034 0.000 1.276 361 S CA -0.271 57.921 58.200 -0.014 0.000 0.998 361 S CB 2.495 65.685 63.200 -0.017 0.000 0.953 361 S HN 0.983 nan 8.310 nan 0.000 0.547 362 V N 1.907 121.794 119.914 -0.045 0.000 2.394 362 V HA 0.351 4.471 4.120 -0.001 0.000 0.282 362 V C -0.262 175.769 176.094 -0.105 0.000 1.031 362 V CA -0.754 61.508 62.300 -0.062 0.000 0.881 362 V CB 1.298 33.098 31.823 -0.038 0.000 0.982 362 V HN 0.775 nan 8.190 nan 0.000 0.451 363 V N 4.610 124.423 119.914 -0.169 0.000 2.364 363 V HA 0.311 4.430 4.120 -0.001 0.000 0.272 363 V C 0.475 176.486 176.094 -0.138 0.000 1.036 363 V CA -0.089 62.079 62.300 -0.220 0.000 0.880 363 V CB 1.647 33.203 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 -0.076 0.000 2.767 364 T HA 0.533 4.882 4.350 -0.001 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 1.416 70.275 68.868 -0.014 0.000 0.923 364 T HN 0.334 nan 8.240 nan 0.000 0.468 365 V N 2.649 122.603 119.914 0.066 0.000 2.459 365 V HA 0.836 4.956 4.120 -0.001 0.000 0.295 365 V C -0.091 176.070 176.094 0.112 0.000 1.029 365 V CA -0.818 61.559 62.300 0.129 0.000 0.874 365 V CB 1.418 33.379 31.823 0.230 0.000 0.985 365 V HN 1.069 nan 8.190 nan 0.000 0.438 366 A N 3.392 126.256 122.820 0.073 0.000 2.427 366 A HA 0.971 5.290 4.320 -0.001 0.000 0.298 366 A C -0.172 177.422 177.584 0.016 0.000 1.036 366 A CA -0.011 52.050 52.037 0.041 0.000 0.701 366 A CB 1.893 20.903 19.000 0.016 0.000 1.250 366 A HN 1.213 nan 8.150 nan 0.000 0.412 367 G N -0.315 108.498 108.800 0.023 0.000 2.690 367 G HA2 0.637 4.596 3.960 -0.001 0.000 0.291 367 G HA3 0.637 4.596 3.960 -0.001 0.000 0.291 367 G C -1.780 173.125 174.900 0.008 0.000 1.403 367 G CA -0.556 44.536 45.100 -0.012 0.000 0.864 367 G HN 1.126 nan 8.290 nan 0.000 0.480 368 V N 0.272 120.177 119.914 -0.015 0.000 2.638 368 V HA 0.689 4.809 4.120 -0.001 0.000 0.306 368 V C -0.256 175.820 176.094 -0.030 0.000 1.052 368 V CA -0.709 61.593 62.300 0.002 0.000 0.885 368 V CB 1.913 33.736 31.823 -0.001 0.000 0.999 368 V HN 0.758 nan 8.190 nan 0.000 0.424 369 S N 4.091 119.783 115.700 -0.014 0.000 2.482 369 S HA 0.581 5.051 4.470 -0.001 0.000 0.303 369 S C -0.646 173.762 174.600 -0.321 0.000 1.091 369 S CA -0.811 57.282 58.200 -0.177 0.000 1.057 369 S CB 1.188 64.355 63.200 -0.054 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.705 120.088 118.700 -0.528 0.000 2.321 370 N HA 0.610 5.350 4.740 -0.001 0.000 0.299 370 N C -1.500 173.645 175.510 -0.608 0.000 1.048 370 N CA -0.228 52.602 53.050 -0.366 0.000 0.836 370 N CB 1.401 39.805 38.487 -0.138 0.000 1.269 370 N HN 0.405 nan 8.380 nan 0.000 0.486 371 F N 0.016 119.985 119.950 0.032 0.000 2.576 371 F HA 0.333 4.860 4.527 -0.001 0.000 0.313 371 F C 0.491 176.298 175.800 0.011 0.000 1.078 371 F CA -0.875 57.126 58.000 0.002 0.000 0.921 371 F CB 1.901 40.875 39.000 -0.045 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.962 123.267 120.200 0.175 0.000 2.227 372 E HA 0.607 4.957 4.350 -0.001 0.000 0.282 372 E C -1.153 175.581 176.600 0.222 0.000 1.015 372 E CA -0.433 56.052 56.400 0.142 0.000 0.823 372 E CB 1.571 31.171 29.700 -0.168 0.000 1.081 372 E HN 0.414 nan 8.360 nan 0.000 0.396 373 L N 3.689 125.069 121.223 0.262 0.000 2.388 373 L HA 0.555 4.895 4.340 -0.001 0.000 0.264 373 L C -0.659 176.387 176.870 0.293 0.000 0.998 373 L CA -0.822 54.111 54.840 0.155 0.000 0.817 373 L CB 1.860 43.685 42.059 -0.389 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.412 124.185 120.570 0.338 0.000 2.362 374 I HA 0.356 4.526 4.170 -0.001 0.000 0.289 374 I C -2.218 174.134 176.117 0.393 0.000 0.994 374 I CA -2.009 59.466 61.300 0.291 0.000 1.158 374 I CB 1.986 40.101 38.000 0.192 0.000 1.315 374 I HN 0.245 nan 8.210 nan 0.000 0.451 375 P HA 0.062 nan 4.420 nan 0.000 0.272 375 P C -0.988 176.348 177.300 0.059 0.000 1.223 375 P CA -0.350 62.843 63.100 0.155 0.000 0.784 375 P CB 0.282 32.014 31.700 0.053 0.000 0.923 376 N N 2.426 121.092 118.700 -0.057 0.000 2.354 376 N HA 0.078 4.817 4.740 -0.001 0.000 0.246 376 N C -1.974 173.517 175.510 -0.033 0.000 1.285 376 N CA -1.604 51.423 53.050 -0.038 0.000 0.925 376 N CB -1.367 37.074 38.487 -0.077 0.000 1.174 376 N HN 0.153 nan 8.380 nan 0.000 0.478 377 P HA -0.160 nan 4.420 nan 0.000 0.216 377 P C 0.978 178.262 177.300 -0.027 0.000 1.150 377 P CA 1.500 64.591 63.100 -0.014 0.000 0.843 377 P CB 0.200 31.894 31.700 -0.010 0.000 0.787 378 E N -0.948 119.227 120.200 -0.042 0.000 2.072 378 E HA -0.103 4.247 4.350 -0.001 0.000 0.190 378 E C 1.762 178.330 176.600 -0.053 0.000 0.982 378 E CA 0.739 57.113 56.400 -0.044 0.000 0.803 378 E CB -1.039 28.633 29.700 -0.047 0.000 0.755 378 E HN 0.016 nan 8.360 nan 0.000 0.453 379 L N -0.027 121.148 121.223 -0.081 0.000 2.156 379 L HA 0.115 4.454 4.340 -0.001 0.000 0.208 379 L C 2.033 178.872 176.870 -0.052 0.000 1.095 379 L CA 1.482 56.265 54.840 -0.094 0.000 0.770 379 L CB -0.668 41.275 42.059 -0.193 0.000 0.914 379 L HN 0.180 nan 8.230 nan 0.000 0.439 380 A N -0.885 121.913 122.820 -0.036 0.000 2.131 380 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 380 A C 2.177 179.754 177.584 -0.011 0.000 1.158 380 A CA 1.529 53.560 52.037 -0.010 0.000 0.665 380 A CB -0.523 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 -0.794 119.596 120.400 -0.017 0.000 2.366 381 K HA 0.017 4.336 4.320 -0.001 0.000 0.198 381 K C 0.372 176.966 176.600 -0.010 0.000 1.044 381 K CA 0.840 57.119 56.287 -0.013 0.000 0.973 381 K CB 0.058 32.548 32.500 -0.015 0.000 0.767 381 K HN 0.389 nan 8.250 nan 0.000 0.475 382 N N -0.158 118.536 118.700 -0.010 0.000 2.118 382 N HA 0.047 4.786 4.740 -0.001 0.000 0.226 382 N C -1.013 174.500 175.510 0.004 0.000 1.305 382 N CA -0.048 52.999 53.050 -0.005 0.000 0.890 382 N CB 1.078 39.560 38.487 -0.008 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.506 123.733 121.223 0.008 0.000 2.318 383 L HA 0.441 4.780 4.340 -0.001 0.000 0.277 383 L C -0.317 176.566 176.870 0.021 0.000 1.008 383 L CA -0.566 54.291 54.840 0.028 0.000 0.846 383 L CB 1.223 43.312 42.059 0.050 0.000 1.220 383 L HN -0.277 nan 8.230 nan 0.000 0.423 384 V N 4.102 124.024 119.914 0.013 0.000 2.585 384 V HA 0.244 4.363 4.120 -0.001 0.000 0.296 384 V C 0.847 176.931 176.094 -0.017 0.000 1.035 384 V CA 0.013 62.309 62.300 -0.006 0.000 1.084 384 V CB 1.245 33.064 31.823 -0.007 0.000 0.953 384 V HN 0.907 nan 8.190 nan 0.000 0.483 385 T N 2.490 117.014 114.554 -0.050 0.000 2.912 385 T HA 0.812 5.162 4.350 -0.001 0.000 0.288 385 T C -0.757 173.843 174.700 -0.168 0.000 1.030 385 T CA -0.903 61.139 62.100 -0.096 0.000 1.020 385 T CB 2.297 71.111 68.868 -0.091 0.000 1.056 385 T HN 0.679 nan 8.240 nan 0.000 0.480 386 E N 0.144 120.195 120.200 -0.248 0.000 2.408 386 E HA 0.359 4.709 4.350 -0.001 0.000 0.275 386 E C -1.283 175.110 176.600 -0.345 0.000 0.935 386 E CA -0.977 55.271 56.400 -0.254 0.000 0.775 386 E CB 1.836 31.455 29.700 -0.135 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.498 120.756 120.300 -0.070 0.000 2.480 387 Y HA 0.233 4.783 4.550 -0.001 0.000 0.338 387 Y C 1.428 177.324 175.900 -0.006 0.000 1.220 387 Y CA 0.193 58.293 58.100 -0.001 0.000 1.430 387 Y CB 0.530 39.005 38.460 0.026 0.000 1.311 387 Y HN 0.606 nan 8.280 nan 0.000 0.575 388 G N 2.812 111.797 108.800 0.308 0.000 2.559 388 G HA2 0.063 4.023 3.960 -0.001 0.000 0.235 388 G HA3 0.063 4.023 3.960 -0.001 0.000 0.235 388 G C -0.214 174.803 174.900 0.196 0.000 1.266 388 G CA -0.884 44.371 45.100 0.259 0.000 0.847 388 G HN 0.436 nan 8.290 nan 0.000 0.583 389 R N -0.124 120.467 120.500 0.152 0.000 2.538 389 R HA -0.012 4.328 4.340 -0.001 0.000 0.282 389 R C -0.325 176.085 176.300 0.183 0.000 1.009 389 R CA -0.434 55.751 56.100 0.141 0.000 1.063 389 R CB 0.007 30.363 30.300 0.093 0.000 0.945 389 R HN 0.381 nan 8.270 nan 0.000 0.414 390 F N 4.858 124.828 119.950 0.033 0.000 2.421 390 F HA 0.167 4.694 4.527 -0.001 0.000 0.358 390 F C -0.347 175.461 175.800 0.013 0.000 1.115 390 F CA -1.398 56.612 58.000 0.017 0.000 1.160 390 F CB 0.458 39.462 39.000 0.007 0.000 1.123 390 F HN 0.482 nan 8.300 nan 0.000 0.508 391 D N 8.077 128.171 120.400 -0.509 0.000 2.620 391 D HA 0.323 4.963 4.640 -0.001 0.000 0.252 391 D C -3.289 172.594 176.300 -0.694 0.000 1.207 391 D CA -2.042 51.544 54.000 -0.690 0.000 0.884 391 D CB 1.741 42.362 40.800 -0.299 0.000 1.262 391 D HN 0.216 nan 8.370 nan 0.000 0.552 392 P HA 0.284 nan 4.420 nan 0.000 0.274 392 P C 1.011 178.200 177.300 -0.184 0.000 1.231 392 P CA 0.445 63.304 63.100 -0.400 0.000 0.790 392 P CB 1.083 32.634 31.700 -0.249 0.000 0.951 393 G N 1.402 110.164 108.800 -0.063 0.000 2.205 393 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.261 393 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.261 393 G C 1.122 176.045 174.900 0.039 0.000 0.980 393 G CA 0.711 45.812 45.100 0.000 0.000 0.632 393 G HN 0.737 nan 8.290 nan 0.000 0.533 394 A N -0.487 122.326 122.820 -0.013 0.000 1.877 394 A HA 0.203 4.522 4.320 -0.001 0.000 0.216 394 A C 2.273 179.921 177.584 0.108 0.000 1.186 394 A CA 2.830 54.897 52.037 0.050 0.000 0.620 394 A CB -0.369 18.625 19.000 -0.009 0.000 0.822 394 A HN 1.150 nan 8.150 nan 0.000 0.443 395 M N 0.848 120.461 119.600 0.023 0.000 2.132 395 M HA -0.080 4.399 4.480 -0.001 0.000 0.263 395 M C 1.542 177.891 176.300 0.083 0.000 1.065 395 M CA 1.731 57.038 55.300 0.012 0.000 1.122 395 M CB -0.956 31.620 32.600 -0.041 0.000 1.365 395 M HN 0.513 nan 8.290 nan 0.000 0.411 396 N N -1.325 117.429 118.700 0.090 0.000 2.166 396 N HA -0.217 4.523 4.740 -0.001 0.000 0.186 396 N C 1.732 177.320 175.510 0.130 0.000 1.019 396 N CA 1.605 54.713 53.050 0.096 0.000 0.856 396 N CB -0.406 38.134 38.487 0.088 0.000 0.993 396 N HN 0.427 nan 8.380 nan 0.000 0.426 397 Y N 2.339 122.670 120.300 0.053 0.000 2.200 397 Y HA -0.160 4.390 4.550 -0.001 0.000 0.290 397 Y C 2.522 178.480 175.900 0.096 0.000 1.137 397 Y CA 1.407 59.548 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 -0.033 nan 8.280 nan 0.000 0.518 398 T N 0.175 114.859 114.554 0.217 0.000 2.746 398 T HA -0.199 4.151 4.350 -0.001 0.000 0.267 398 T C 1.801 176.564 174.700 0.105 0.000 1.039 398 T CA 1.897 64.115 62.100 0.195 0.000 1.142 398 T CB -0.194 68.864 68.868 0.315 0.000 0.866 398 T HN 0.266 nan 8.240 nan 0.000 0.444 399 K N 0.377 120.833 120.400 0.093 0.000 2.097 399 K HA -0.008 4.311 4.320 -0.001 0.000 0.206 399 K C 2.197 178.799 176.600 0.003 0.000 1.049 399 K CA 0.836 57.160 56.287 0.062 0.000 0.933 399 K CB -0.342 32.194 32.500 0.061 0.000 0.717 399 K HN 0.136 nan 8.250 nan 0.000 0.442 400 L N 1.324 122.520 121.223 -0.045 0.000 1.994 400 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 400 L C 1.899 178.693 176.870 -0.127 0.000 1.071 400 L CA 1.583 56.366 54.840 -0.096 0.000 0.745 400 L CB -0.378 41.589 42.059 -0.154 0.000 0.892 400 L HN 0.084 nan 8.230 nan 0.000 0.431 401 I N -0.291 120.159 120.570 -0.200 0.000 2.127 401 I HA -0.318 3.852 4.170 -0.001 0.000 0.241 401 I C 2.599 178.682 176.117 -0.057 0.000 1.075 401 I CA 1.653 62.860 61.300 -0.155 0.000 1.334 401 I CB -1.268 36.632 38.000 -0.167 0.000 1.040 401 I HN 0.323 nan 8.210 nan 0.000 0.405 402 L N 0.036 121.245 121.223 -0.022 0.000 2.093 402 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 402 L C 2.699 179.557 176.870 -0.019 0.000 1.085 402 L CA 1.408 56.245 54.840 -0.005 0.000 0.755 402 L CB -0.608 41.468 42.059 0.028 0.000 0.904 402 L HN 0.276 nan 8.230 nan 0.000 0.435 403 S N -0.225 115.463 115.700 -0.020 0.000 2.400 403 S HA -0.163 4.307 4.470 -0.001 0.000 0.232 403 S C 1.521 176.106 174.600 -0.025 0.000 1.025 403 S CA 1.193 59.380 58.200 -0.021 0.000 0.993 403 S CB -0.072 63.117 63.200 -0.018 0.000 0.808 403 S HN 0.402 nan 8.310 nan 0.000 0.478 404 E N 0.638 120.821 120.200 -0.029 0.000 2.499 404 E HA 0.158 4.507 4.350 -0.001 0.000 0.199 404 E C 1.533 178.120 176.600 -0.022 0.000 1.016 404 E CA -0.271 56.116 56.400 -0.022 0.000 0.933 404 E CB -0.013 29.676 29.700 -0.019 0.000 1.050 404 E HN 0.505 nan 8.360 nan 0.000 0.462 405 R N 1.473 121.954 120.500 -0.031 0.000 2.112 405 R HA -0.200 4.140 4.340 -0.001 0.000 0.242 405 R C 0.897 177.160 176.300 -0.061 0.000 1.137 405 R CA 1.877 57.951 56.100 -0.043 0.000 0.944 405 R CB 0.104 30.372 30.300 -0.053 0.000 0.857 405 R HN 0.086 nan 8.270 nan 0.000 0.435 406 D N -0.271 120.092 120.400 -0.061 0.000 2.149 406 D HA -0.159 4.481 4.640 -0.001 0.000 0.201 406 D C 2.026 178.293 176.300 -0.055 0.000 0.972 406 D CA 1.414 55.370 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 0.785 121.267 120.500 -0.030 0.000 2.148 407 R HA 0.018 4.358 4.340 -0.001 0.000 0.223 407 R C 1.996 178.300 176.300 0.007 0.000 1.088 407 R CA 0.780 56.873 56.100 -0.012 0.000 0.985 407 R CB -0.431 29.869 30.300 -0.001 0.000 0.880 407 R HN 0.145 nan 8.270 nan 0.000 0.451 408 L N 0.332 121.564 121.223 0.016 0.000 2.446 408 L HA 0.279 4.619 4.340 -0.001 0.000 0.219 408 L C 0.913 177.807 176.870 0.040 0.000 1.116 408 L CA 0.511 55.394 54.840 0.071 0.000 0.844 408 L CB 0.009 42.132 42.059 0.107 0.000 0.970 408 L HN 0.628 nan 8.230 nan 0.000 0.457 409 G N 1.533 110.297 108.800 -0.060 0.000 2.272 409 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.280 409 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.280 409 G C 0.036 174.739 174.900 -0.328 0.000 1.067 409 G CA -0.202 44.794 45.100 -0.174 0.000 0.902 409 G HN 0.300 nan 8.290 nan 0.000 0.500 410 I N 0.817 121.238 120.570 -0.249 0.000 2.294 410 I HA 0.213 4.382 4.170 -0.001 0.000 0.295 410 I C 0.915 176.813 176.117 -0.364 0.000 1.098 410 I CA -0.044 61.104 61.300 -0.253 0.000 1.277 410 I CB 0.441 38.396 38.000 -0.074 0.000 1.434 410 I HN 0.084 nan 8.210 nan 0.000 0.498 411 K N 3.369 123.284 120.400 -0.808 0.000 2.087 411 K HA 0.336 4.656 4.320 -0.001 0.000 0.255 411 K C 1.147 177.513 176.600 -0.391 0.000 0.988 411 K CA -0.461 55.308 56.287 -0.864 0.000 0.915 411 K CB 1.225 32.764 32.500 -1.603 0.000 1.043 411 K HN 0.561 nan 8.250 nan 0.000 0.457 412 T N -3.119 111.279 114.554 -0.260 0.000 3.051 412 T HA 0.046 4.396 4.350 -0.001 0.000 0.255 412 T C 0.687 175.364 174.700 -0.039 0.000 1.085 412 T CA -0.113 61.944 62.100 -0.072 0.000 1.109 412 T CB -0.138 68.694 68.868 -0.060 0.000 0.921 412 T HN 0.371 nan 8.240 nan 0.000 0.488 413 V N -1.699 118.114 119.914 -0.169 0.000 2.577 413 V HA 0.811 4.930 4.120 -0.001 0.000 0.303 413 V C -1.808 174.200 176.094 -0.144 0.000 1.042 413 V CA -1.752 60.515 62.300 -0.056 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 3.597 124.853 121.300 -0.074 0.000 2.844 414 W HA 0.733 5.393 4.660 -0.001 0.000 0.340 414 W C -2.716 173.802 176.519 -0.002 0.000 1.093 414 W CA -2.508 54.818 57.345 -0.031 0.000 1.212 414 W CB 1.815 31.275 29.460 0.001 0.000 1.422 414 W HN 0.345 nan 8.180 nan 0.000 0.515 415 P HA 0.072 nan 4.420 nan 0.000 0.271 415 P C 0.841 178.291 177.300 0.249 0.000 1.226 415 P CA 0.387 63.608 63.100 0.202 0.000 0.765 415 P CB 0.816 32.610 31.700 0.156 0.000 0.835 416 T N 2.803 117.462 114.554 0.175 0.000 2.699 416 T HA -0.235 4.115 4.350 -0.001 0.000 0.268 416 T C 1.769 176.573 174.700 0.173 0.000 1.036 416 T CA 1.770 63.965 62.100 0.158 0.000 1.147 416 T CB -0.352 68.573 68.868 0.096 0.000 0.862 416 T HN 0.432 nan 8.240 nan 0.000 0.446 417 R N 1.470 122.055 120.500 0.141 0.000 2.091 417 R HA -0.101 4.239 4.340 -0.001 0.000 0.238 417 R C 2.113 178.500 176.300 0.144 0.000 1.136 417 R CA 1.849 58.021 56.100 0.119 0.000 0.959 417 R CB -0.387 29.970 30.300 0.095 0.000 0.856 417 R HN 0.475 nan 8.270 nan 0.000 0.437 418 E N -1.179 119.146 120.200 0.209 0.000 2.152 418 E HA -0.203 4.147 4.350 -0.001 0.000 0.192 418 E C 1.571 178.356 176.600 0.308 0.000 0.983 418 E CA 1.141 57.707 56.400 0.277 0.000 0.818 418 E CB -0.202 29.704 29.700 0.344 0.000 0.758 418 E HN 0.432 nan 8.360 nan 0.000 0.467 419 Y N 1.525 121.869 120.300 0.073 0.000 2.220 419 Y HA -0.178 4.372 4.550 -0.001 0.000 0.291 419 Y C 2.354 178.158 175.900 -0.160 0.000 1.129 419 Y CA 1.625 59.479 58.100 -0.411 0.000 1.161 419 Y CB -0.331 37.735 38.460 -0.657 0.000 0.997 419 Y HN -0.112 nan 8.280 nan 0.000 0.522 420 T N 0.424 114.944 114.554 -0.058 0.000 2.684 420 T HA -0.187 4.163 4.350 -0.001 0.000 0.267 420 T C 1.327 175.979 174.700 -0.081 0.000 1.036 420 T CA 1.758 63.805 62.100 -0.089 0.000 1.148 420 T CB -0.394 68.486 68.868 0.021 0.000 0.863 420 T HN 0.356 nan 8.240 nan 0.000 0.436 421 D N 0.446 120.853 120.400 0.012 0.000 2.123 421 D HA -0.067 4.572 4.640 -0.001 0.000 0.196 421 D C 1.664 178.011 176.300 0.079 0.000 0.992 421 D CA 0.737 54.771 54.000 0.057 0.000 0.833 421 D CB -0.500 40.358 40.800 0.096 0.000 0.954 421 D HN 0.367 nan 8.370 nan 0.000 0.455 422 F N 1.797 121.690 119.950 -0.095 0.000 2.095 422 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 422 F C 2.282 178.038 175.800 -0.074 0.000 1.104 422 F CA 1.441 59.399 58.000 -0.071 0.000 1.232 422 F CB -0.083 38.794 39.000 -0.205 0.000 0.987 422 F HN -0.204 nan 8.300 nan 0.000 0.475 423 R N 0.371 120.653 120.500 -0.363 0.000 2.096 423 R HA -0.241 4.098 4.340 -0.001 0.000 0.240 423 R C 2.364 178.537 176.300 -0.212 0.000 1.139 423 R CA 2.174 58.068 56.100 -0.343 0.000 0.952 423 R CB -0.792 29.303 30.300 -0.343 0.000 0.854 423 R HN 0.636 nan 8.270 nan 0.000 0.436 424 E N -0.603 119.513 120.200 -0.139 0.000 2.216 424 E HA -0.203 4.147 4.350 -0.001 0.000 0.192 424 E C 1.648 178.197 176.600 -0.085 0.000 0.988 424 E CA 0.788 57.126 56.400 -0.104 0.000 0.834 424 E CB -0.293 29.372 29.700 -0.057 0.000 0.772 424 E HN 0.415 nan 8.360 nan 0.000 0.479 425 Y N 1.083 121.289 120.300 -0.156 0.000 2.130 425 Y HA -0.030 4.520 4.550 -0.001 0.000 0.287 425 Y C 1.111 176.928 175.900 -0.139 0.000 1.124 425 Y CA 0.961 58.994 58.100 -0.112 0.000 1.118 425 Y CB -0.260 38.175 38.460 -0.041 0.000 0.994 425 Y HN 0.092 nan 8.280 nan 0.000 0.497 426 F N 0.506 120.289 119.950 -0.279 0.000 2.521 426 F HA -0.006 4.521 4.527 -0.001 0.000 0.298 426 F C 1.017 176.640 175.800 -0.295 0.000 1.289 426 F CA 0.200 57.978 58.000 -0.370 0.000 1.315 426 F CB 0.197 38.779 39.000 -0.697 0.000 1.257 426 F HN 0.133 nan 8.300 nan 0.000 0.541 427 M N 2.132 120.766 119.600 -1.611 0.000 2.212 427 M HA -0.258 4.221 4.480 -0.001 0.000 0.193 427 M C 0.274 176.259 176.300 -0.525 0.000 0.493 427 M CA 0.763 55.431 55.300 -1.053 0.000 0.427 427 M CB -1.115 31.083 32.600 -0.671 0.000 1.120 427 M HN 0.805 nan 8.290 nan 0.000 0.929 428 E N -1.085 118.840 120.200 -0.458 0.000 2.474 428 E HA 0.183 4.532 4.350 -0.001 0.000 0.195 428 E C -0.035 176.419 176.600 -0.244 0.000 1.039 428 E CA 0.132 56.351 56.400 -0.301 0.000 0.881 428 E CB 0.702 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 0.916 120.666 119.914 -0.273 0.000 2.483 429 V HA 0.574 4.694 4.120 -0.001 0.000 0.297 429 V C -0.664 175.311 176.094 -0.199 0.000 1.027 429 V CA -0.607 61.571 62.300 -0.203 0.000 0.855 429 V CB 1.625 33.347 31.823 -0.167 0.000 0.995 429 V HN 0.066 nan 8.190 nan 0.000 0.424 430 A N 3.060 125.790 122.820 -0.149 0.000 2.839 430 A HA 0.470 4.789 4.320 -0.001 0.000 0.303 430 A C -0.405 177.125 177.584 -0.090 0.000 1.181 430 A CA -0.309 51.657 52.037 -0.119 0.000 0.808 430 A CB 0.577 19.505 19.000 -0.121 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.370 122.722 120.400 -0.080 0.000 2.615 431 D HA 0.409 5.048 4.640 -0.001 0.000 0.236 431 D C 1.154 177.422 176.300 -0.053 0.000 1.233 431 D CA 0.311 54.270 54.000 -0.068 0.000 0.829 431 D CB -0.485 40.273 40.800 -0.070 0.000 1.024 431 D HN 0.652 nan 8.370 nan 0.000 0.490 432 L N -1.500 119.695 121.223 -0.048 0.000 5.895 432 L HA -0.352 3.988 4.340 -0.001 0.000 0.053 432 L C 0.614 177.463 176.870 -0.035 0.000 2.741 432 L CA 1.238 56.056 54.840 -0.037 0.000 1.500 432 L CB -1.648 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 -0.387 118.295 118.700 -0.030 0.000 3.112 433 N HA 0.647 5.387 4.740 -0.001 0.000 0.231 433 N C -0.379 175.116 175.510 -0.025 0.000 1.385 433 N CA 0.456 53.489 53.050 -0.028 0.000 0.790 433 N CB 0.491 38.964 38.487 -0.023 0.000 1.563 433 N HN 1.152 nan 8.380 nan 0.000 0.613 434 S N 1.054 116.738 115.700 -0.027 0.000 2.560 434 S HA 0.502 4.972 4.470 -0.001 0.000 0.276 434 S C -1.252 173.336 174.600 -0.019 0.000 1.350 434 S CA -0.512 57.673 58.200 -0.024 0.000 1.024 434 S CB -0.716 62.468 63.200 -0.026 0.000 0.864 434 S HN 0.585 nan 8.310 nan 0.000 0.536 435 P HA -0.093 nan 4.420 nan 0.000 0.041 435 P C 0.189 177.482 177.300 -0.012 0.000 0.590 435 P CA 0.555 63.647 63.100 -0.014 0.000 1.019 435 P CB -0.686 31.007 31.700 -0.013 0.000 1.776 436 L N 0.579 121.794 121.223 -0.012 0.000 2.127 436 L HA -0.106 4.233 4.340 -0.001 0.000 0.203 436 L C 2.683 179.547 176.870 -0.009 0.000 1.080 436 L CA 1.643 56.477 54.840 -0.010 0.000 0.768 436 L CB -1.047 41.007 42.059 -0.010 0.000 0.924 436 L HN 0.071 nan 8.230 nan 0.000 0.444 437 K N 0.944 121.338 120.400 -0.010 0.000 2.362 437 K HA -0.116 4.204 4.320 -0.001 0.000 0.202 437 K C 1.524 178.119 176.600 -0.008 0.000 1.045 437 K CA 1.994 58.276 56.287 -0.009 0.000 0.936 437 K CB -0.826 31.668 32.500 -0.010 0.000 0.747 437 K HN 0.518 nan 8.250 nan 0.000 0.467 438 I N -1.857 118.708 120.570 -0.008 0.000 4.439 438 I HA 0.225 4.394 4.170 -0.001 0.000 0.331 438 I C 2.414 178.527 176.117 -0.007 0.000 1.345 438 I CA 0.418 61.713 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 1.633 124.449 122.820 -0.007 0.000 1.862 439 A HA 0.026 4.346 4.320 -0.001 0.000 0.217 439 A C 1.436 179.017 177.584 -0.005 0.000 1.251 439 A CA 2.137 54.170 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 -0.001 0.000 0.244 440 G HA3 0.000 3.960 3.960 -0.001 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