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_F DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPGGV YALNGTINAV TFQGSLSELT DVSYNGLMSA TANINDKIGN DATA SEQUENCE VLVGEGVTVL SLPTSYDLGY VRLGDPIPAI GLDPKMVATC DSSDRPRVYT DATA SEQUENCE ITAADDYQFS SQYQPGGVTI TLFSANIDAI TSLSVGGELV FRTSVHGLVL DATA SEQUENCE GATIYLIGFD GTTVITRAVA ANNGLTTGTD NLMPFNLVIP TNEITQPITS DATA SEQUENCE IKLEIVTSKS GGQAGDQMSW SARGSLAVTI HGGNYPGALR PVTLVAYERV DATA SEQUENCE ATGSVVTVAG VSNFELIPNP ELAKNLVTEY GRFDPGAMNY TKLILSERDR DATA SEQUENCE LGIKTVWPTR EYTDFREYFM EVADLNSPLK IAG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.624 174.700 -0.127 0.000 1.109 8 T CA 0.000 62.014 62.100 -0.144 0.000 1.349 8 T CB 0.000 68.837 68.868 -0.053 0.000 0.612 9 Q N 0.459 120.165 119.800 -0.157 0.000 2.285 9 Q HA 0.867 5.207 4.340 0.000 0.000 0.269 9 Q C 0.651 176.580 176.000 -0.118 0.000 1.030 9 Q CA 0.687 56.420 55.803 -0.116 0.000 0.788 9 Q CB 0.735 29.416 28.738 -0.095 0.000 1.266 9 Q HN 2.519 nan 8.270 nan 0.000 0.438 10 Q N 0.465 120.204 119.800 -0.103 0.000 2.363 10 Q HA -0.278 4.062 4.340 0.000 0.000 0.409 10 Q C 1.130 177.052 176.000 -0.129 0.000 1.118 10 Q CA 4.475 60.216 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 -6.408 114.090 120.570 -0.119 0.000 3.519 11 I HA 0.730 4.900 4.170 0.000 0.000 0.314 11 I C -0.601 175.447 176.117 -0.116 0.000 1.273 11 I CA -0.590 60.632 61.300 -0.131 0.000 1.108 11 I CB 1.739 39.669 38.000 -0.117 0.000 1.212 11 I HN 0.654 nan 8.210 nan 0.000 0.420 12 V N 1.734 121.609 119.914 -0.064 0.000 2.419 12 V HA 0.291 4.411 4.120 0.000 0.000 0.287 12 V C -1.867 174.262 176.094 0.058 0.000 1.017 12 V CA -1.094 61.187 62.300 -0.031 0.000 0.844 12 V CB 1.089 32.871 31.823 -0.068 0.000 1.011 12 V HN 0.536 nan 8.190 nan 0.000 0.429 13 P HA -0.256 nan 4.420 nan 0.000 0.219 13 P C 1.582 178.956 177.300 0.124 0.000 1.158 13 P CA 1.686 64.834 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 -0.347 119.620 119.950 0.029 0.000 2.102 14 F HA -0.164 4.363 4.527 0.000 0.000 0.298 14 F C 2.045 177.885 175.800 0.068 0.000 1.105 14 F CA 1.291 59.309 58.000 0.030 0.000 1.239 14 F CB -0.728 38.265 39.000 -0.010 0.000 0.991 14 F HN -0.235 nan 8.300 nan 0.000 0.474 15 I N 0.654 121.229 120.570 0.009 0.000 2.208 15 I HA -0.283 3.887 4.170 0.000 0.000 0.245 15 I C 2.584 178.689 176.117 -0.019 0.000 1.097 15 I CA 1.426 62.718 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 0.212 nan 8.210 nan 0.000 0.413 16 R N 0.275 120.839 120.500 0.106 0.000 2.083 16 R HA -0.198 4.142 4.340 0.000 0.000 0.237 16 R C 2.597 178.912 176.300 0.025 0.000 1.137 16 R CA 2.148 58.341 56.100 0.155 0.000 0.951 16 R CB -0.240 30.129 30.300 0.115 0.000 0.851 16 R HN 0.228 nan 8.270 nan 0.000 0.434 17 S N 0.072 115.729 115.700 -0.072 0.000 2.368 17 S HA -0.118 4.352 4.470 0.000 0.000 0.224 17 S C 1.847 176.333 174.600 -0.190 0.000 1.029 17 S CA 1.134 59.270 58.200 -0.107 0.000 0.988 17 S CB -0.247 62.898 63.200 -0.090 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.290 122.278 121.223 -0.391 0.000 2.027 18 L HA 0.136 4.476 4.340 0.000 0.000 0.206 18 L C 1.962 178.755 176.870 -0.127 0.000 1.074 18 L CA 1.800 56.429 54.840 -0.352 0.000 0.745 18 L CB -0.441 41.283 42.059 -0.559 0.000 0.898 18 L HN 0.373 nan 8.230 nan 0.000 0.433 19 L N -1.531 119.639 121.223 -0.089 0.000 2.375 19 L HA 0.085 4.425 4.340 0.000 0.000 0.215 19 L C 0.679 177.632 176.870 0.140 0.000 1.108 19 L CA 0.311 55.166 54.840 0.026 0.000 0.830 19 L CB 0.006 41.997 42.059 -0.114 0.000 0.959 19 L HN 0.237 nan 8.230 nan 0.000 0.457 20 M N -0.529 119.129 119.600 0.097 0.000 2.389 20 M HA 0.238 4.718 4.480 0.000 0.000 0.206 20 M C -1.977 174.363 176.300 0.067 0.000 0.976 20 M CA -1.276 54.106 55.300 0.137 0.000 0.648 20 M CB 1.586 34.261 32.600 0.125 0.000 1.474 20 M HN -0.263 nan 8.290 nan 0.000 0.398 21 P HA -0.158 nan 4.420 nan 0.000 0.219 21 P C 1.358 178.659 177.300 0.001 0.000 1.146 21 P CA 1.471 64.564 63.100 -0.013 0.000 0.808 21 P CB -0.180 31.491 31.700 -0.048 0.000 0.779 22 T N -5.744 108.823 114.554 0.022 0.000 3.098 22 T HA -0.077 4.273 4.350 0.000 0.000 0.266 22 T C 1.698 176.413 174.700 0.025 0.000 1.145 22 T CA 1.376 63.490 62.100 0.022 0.000 1.092 22 T CB -1.423 67.466 68.868 0.034 0.000 0.908 22 T HN 0.016 nan 8.240 nan 0.000 0.526 23 T N 0.852 115.422 114.554 0.027 0.000 3.023 23 T HA 0.453 4.803 4.350 0.000 0.000 0.266 23 T C 0.927 175.641 174.700 0.023 0.000 1.093 23 T CA 1.050 63.164 62.100 0.024 0.000 1.129 23 T CB -0.660 68.226 68.868 0.030 0.000 0.899 23 T HN 0.990 nan 8.240 nan 0.000 0.491 24 G N 1.338 110.152 108.800 0.022 0.000 2.408 24 G HA2 0.076 4.036 3.960 0.000 0.000 0.682 24 G HA3 0.076 4.036 3.960 0.000 0.000 0.682 24 G C -3.335 171.583 174.900 0.031 0.000 1.303 24 G CA -0.963 44.155 45.100 0.030 0.000 0.966 24 G HN 0.073 nan 8.290 nan 0.000 0.560 25 P HA 0.720 nan 4.420 nan 0.000 0.283 25 P C -0.457 176.904 177.300 0.102 0.000 1.271 25 P CA 0.182 63.322 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 0.516 123.426 122.820 0.151 0.000 2.572 26 A HA 0.601 4.921 4.320 0.000 0.000 0.295 26 A C -0.524 177.215 177.584 0.258 0.000 1.072 26 A CA -0.541 51.618 52.037 0.203 0.000 0.691 26 A CB 0.728 19.864 19.000 0.226 0.000 1.291 26 A HN 0.382 nan 8.150 nan 0.000 0.404 27 S N 0.793 116.630 115.700 0.229 0.000 2.549 27 S HA 0.362 4.832 4.470 0.000 0.000 0.279 27 S C 0.293 174.876 174.600 -0.029 0.000 1.321 27 S CA -0.158 58.147 58.200 0.176 0.000 1.054 27 S CB 0.071 63.439 63.200 0.281 0.000 0.899 27 S HN 0.462 nan 8.310 nan 0.000 0.497 28 I N 4.942 125.380 120.570 -0.219 0.000 2.598 28 I HA 0.108 4.278 4.170 0.000 0.000 0.284 28 I C -1.562 174.218 176.117 -0.561 0.000 1.140 28 I CA -1.417 59.456 61.300 -0.711 0.000 1.420 28 I CB 0.397 38.083 38.000 -0.523 0.000 1.387 28 I HN 0.427 nan 8.210 nan 0.000 0.553 29 P HA 0.110 nan 4.420 nan 0.000 0.214 29 P C -1.047 176.089 177.300 -0.273 0.000 1.807 29 P CA -0.266 62.621 63.100 -0.355 0.000 0.921 29 P CB -0.403 31.111 31.700 -0.310 0.000 1.835 30 D N -1.011 119.241 120.400 -0.246 0.000 2.541 30 D HA 0.120 4.760 4.640 0.000 0.000 0.276 30 D C 0.448 176.728 176.300 -0.033 0.000 1.190 30 D CA -0.364 53.560 54.000 -0.125 0.000 1.095 30 D CB -0.008 40.730 40.800 -0.104 0.000 1.173 30 D HN -0.176 nan 8.370 nan 0.000 0.604 31 D N -1.348 119.053 120.400 0.001 0.000 2.349 31 D HA 0.040 4.680 4.640 0.000 0.000 0.214 31 D C -0.007 176.320 176.300 0.046 0.000 1.063 31 D CA 0.321 54.334 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 2.126 116.717 114.554 0.062 0.000 4.104 32 T HA 0.178 4.528 4.350 0.000 0.000 0.285 32 T C 0.898 175.702 174.700 0.172 0.000 1.346 32 T CA -0.094 62.077 62.100 0.119 0.000 1.158 32 T CB -0.338 68.610 68.868 0.134 0.000 1.290 32 T HN 0.033 nan 8.240 nan 0.000 0.975 33 L N 3.403 124.718 121.223 0.153 0.000 2.448 33 L HA 0.252 4.592 4.340 0.000 0.000 0.278 33 L C 0.776 177.854 176.870 0.348 0.000 1.201 33 L CA 0.052 55.034 54.840 0.236 0.000 1.036 33 L CB -0.089 42.024 42.059 0.090 0.000 1.325 33 L HN 0.378 nan 8.230 nan 0.000 0.441 34 E N 2.936 123.328 120.200 0.321 0.000 2.207 34 E HA 0.315 4.665 4.350 0.000 0.000 0.270 34 E C -0.600 176.019 176.600 0.032 0.000 0.927 34 E CA -0.955 55.502 56.400 0.096 0.000 0.799 34 E CB 2.424 31.961 29.700 -0.272 0.000 1.172 34 E HN 0.318 nan 8.360 nan 0.000 0.404 35 K N 3.468 123.636 120.400 -0.386 0.000 2.412 35 K HA 0.047 4.367 4.320 0.000 0.000 0.284 35 K C 0.231 176.746 176.600 -0.141 0.000 1.046 35 K CA 0.318 56.319 56.287 -0.476 0.000 0.999 35 K CB 0.135 32.305 32.500 -0.550 0.000 0.941 35 K HN 0.523 nan 8.250 nan 0.000 0.474 36 H N -0.220 118.786 119.070 -0.106 0.000 2.959 36 H HA 0.485 5.041 4.556 0.000 0.000 0.296 36 H C -1.072 174.288 175.328 0.053 0.000 1.421 36 H CA -0.801 55.258 56.048 0.018 0.000 1.206 36 H CB 1.933 31.798 29.762 0.172 0.000 1.891 36 H HN 0.401 nan 8.280 nan 0.000 0.573 37 T N 0.593 115.263 114.554 0.192 0.000 2.906 37 T HA 0.542 4.892 4.350 0.000 0.000 0.295 37 T C -0.889 173.952 174.700 0.234 0.000 1.061 37 T CA -0.739 61.435 62.100 0.124 0.000 1.000 37 T CB 1.108 70.054 68.868 0.130 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.491 124.820 121.223 0.177 0.000 2.307 38 L HA 0.744 5.084 4.340 0.000 0.000 0.284 38 L C 0.025 176.977 176.870 0.135 0.000 1.023 38 L CA -0.748 54.205 54.840 0.189 0.000 0.810 38 L CB 1.594 43.761 42.059 0.179 0.000 1.231 38 L HN 0.507 nan 8.230 nan 0.000 0.423 39 R N 0.890 121.476 120.500 0.142 0.000 2.740 39 R HA 0.598 4.938 4.340 0.000 0.000 0.273 39 R C -1.299 175.115 176.300 0.190 0.000 0.998 39 R CA -0.471 55.713 56.100 0.140 0.000 0.900 39 R CB 2.498 32.848 30.300 0.084 0.000 1.223 39 R HN 0.521 nan 8.270 nan 0.000 0.466 40 S N 1.190 116.985 115.700 0.159 0.000 2.501 40 S HA 0.501 4.971 4.470 0.000 0.000 0.301 40 S C -1.107 173.607 174.600 0.190 0.000 1.096 40 S CA -0.848 57.443 58.200 0.152 0.000 1.063 40 S CB 1.471 64.724 63.200 0.089 0.000 1.042 40 S HN 0.315 nan 8.310 nan 0.000 0.494 41 E N 2.331 122.675 120.200 0.239 0.000 2.224 41 E HA 0.338 4.688 4.350 0.000 0.000 0.265 41 E C -0.408 176.290 176.600 0.164 0.000 0.878 41 E CA -0.496 56.036 56.400 0.219 0.000 0.759 41 E CB 2.031 31.915 29.700 0.308 0.000 1.164 41 E HN 0.724 nan 8.360 nan 0.000 0.414 42 T N -0.568 114.052 114.554 0.110 0.000 2.882 42 T HA 0.506 4.856 4.350 0.000 0.000 0.287 42 T C 0.311 175.065 174.700 0.089 0.000 1.014 42 T CA -0.612 61.534 62.100 0.077 0.000 1.049 42 T CB 0.969 69.861 68.868 0.041 0.000 1.001 42 T HN 0.116 nan 8.240 nan 0.000 0.525 43 S N 1.335 117.087 115.700 0.087 0.000 2.561 43 S HA 0.670 5.141 4.470 0.000 0.000 0.303 43 S C -0.316 174.307 174.600 0.040 0.000 1.110 43 S CA -0.921 57.350 58.200 0.119 0.000 1.034 43 S CB 1.406 64.756 63.200 0.251 0.000 1.010 43 S HN 1.069 nan 8.310 nan 0.000 0.482 44 T N 1.162 115.615 114.554 -0.169 0.000 2.881 44 T HA 0.716 5.066 4.350 0.000 0.000 0.291 44 T C -1.317 173.073 174.700 -0.516 0.000 0.990 44 T CA -0.521 61.460 62.100 -0.198 0.000 0.976 44 T CB 0.422 69.200 68.868 -0.150 0.000 0.970 44 T HN 0.420 nan 8.240 nan 0.000 0.438 45 Y N 1.455 121.760 120.300 0.008 0.000 2.492 45 Y HA 0.554 5.104 4.550 0.000 0.000 0.346 45 Y C -0.176 175.699 175.900 -0.042 0.000 0.997 45 Y CA -1.231 56.859 58.100 -0.017 0.000 1.025 45 Y CB 2.335 40.780 38.460 -0.025 0.000 1.263 45 Y HN 0.571 nan 8.280 nan 0.000 0.454 46 N N 3.933 122.687 118.700 0.090 0.000 2.621 46 N HA 0.382 5.122 4.740 0.000 0.000 0.237 46 N C -1.305 174.210 175.510 0.007 0.000 0.997 46 N CA -0.297 52.767 53.050 0.023 0.000 0.918 46 N CB 0.936 39.424 38.487 0.002 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.962 122.146 121.223 -0.064 0.000 2.350 47 L HA 0.427 4.767 4.340 0.000 0.000 0.275 47 L C 0.718 177.545 176.870 -0.072 0.000 1.099 47 L CA -0.396 54.370 54.840 -0.124 0.000 0.808 47 L CB 0.801 42.597 42.059 -0.440 0.000 1.149 47 L HN 0.173 nan 8.230 nan 0.000 0.442 48 T N 1.830 116.394 114.554 0.016 0.000 2.799 48 T HA 0.339 4.689 4.350 0.000 0.000 0.286 48 T C 0.086 174.849 174.700 0.105 0.000 0.973 48 T CA -0.485 61.638 62.100 0.038 0.000 1.035 48 T CB 1.669 70.561 68.868 0.040 0.000 0.932 48 T HN 0.205 nan 8.240 nan 0.000 0.469 49 V N 3.472 123.430 119.914 0.074 0.000 2.555 49 V HA 0.460 4.580 4.120 0.000 0.000 0.286 49 V C 1.217 177.386 176.094 0.125 0.000 1.044 49 V CA -0.259 62.130 62.300 0.148 0.000 1.026 49 V CB 1.019 32.900 31.823 0.097 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.357 111.246 108.800 0.148 0.000 2.535 50 G HA2 0.174 4.134 3.960 0.000 0.000 0.282 50 G HA3 0.174 4.134 3.960 0.000 0.000 0.282 50 G C 0.541 175.473 174.900 0.053 0.000 1.350 50 G CA -0.232 44.916 45.100 0.080 0.000 1.039 50 G HN 0.672 nan 8.290 nan 0.000 0.509 51 D N -0.507 119.907 120.400 0.024 0.000 2.158 51 D HA -0.150 4.490 4.640 0.000 0.000 0.197 51 D C 2.798 179.097 176.300 -0.001 0.000 0.995 51 D CA 2.104 56.108 54.000 0.007 0.000 0.846 51 D CB -0.264 40.533 40.800 -0.005 0.000 0.941 51 D HN 0.449 nan 8.370 nan 0.000 0.456 52 T N -3.591 110.958 114.554 -0.009 0.000 3.088 52 T HA 0.224 4.574 4.350 0.000 0.000 0.259 52 T C 1.665 176.357 174.700 -0.013 0.000 1.122 52 T CA 0.852 62.935 62.100 -0.029 0.000 1.095 52 T CB 0.157 68.986 68.868 -0.065 0.000 0.930 52 T HN 0.218 nan 8.240 nan 0.000 0.508 53 G N 0.220 109.041 108.800 0.035 0.000 2.160 53 G HA2 -0.188 3.772 3.960 0.000 0.000 0.251 53 G HA3 -0.188 3.772 3.960 0.000 0.000 0.251 53 G C 0.042 175.019 174.900 0.129 0.000 1.008 53 G CA 0.285 45.434 45.100 0.083 0.000 0.724 53 G HN 1.001 nan 8.290 nan 0.000 0.514 54 S N -1.324 114.407 115.700 0.053 0.000 2.546 54 S HA 0.930 5.400 4.470 0.000 0.000 0.274 54 S C 0.099 174.481 174.600 -0.363 0.000 1.121 54 S CA 0.718 58.820 58.200 -0.163 0.000 0.887 54 S CB 1.847 64.947 63.200 -0.167 0.000 1.094 54 S HN 1.936 nan 8.310 nan 0.000 0.474 55 G N 1.107 109.368 108.800 -0.899 0.000 2.488 55 G HA2 0.562 4.522 3.960 0.000 0.000 0.301 55 G HA3 0.562 4.522 3.960 0.000 0.000 0.301 55 G C -2.476 172.162 174.900 -0.436 0.000 1.339 55 G CA -0.524 44.212 45.100 -0.606 0.000 0.803 55 G HN 1.003 nan 8.290 nan 0.000 0.482 56 L N -0.138 121.116 121.223 0.051 0.000 2.464 56 L HA 0.782 5.122 4.340 0.000 0.000 0.266 56 L C -1.218 175.763 176.870 0.184 0.000 0.965 56 L CA -0.653 54.248 54.840 0.102 0.000 0.833 56 L CB 1.798 43.851 42.059 -0.009 0.000 1.296 56 L HN 0.520 nan 8.230 nan 0.000 0.405 57 I N 5.341 125.953 120.570 0.070 0.000 2.354 57 I HA 0.446 4.616 4.170 0.000 0.000 0.292 57 I C -0.660 175.217 176.117 -0.400 0.000 0.989 57 I CA -0.911 60.282 61.300 -0.179 0.000 1.188 57 I CB 1.853 39.638 38.000 -0.360 0.000 1.342 57 I HN 0.254 nan 8.210 nan 0.000 0.457 58 V N 7.280 126.913 119.914 -0.468 0.000 2.350 58 V HA 0.363 4.483 4.120 0.000 0.000 0.276 58 V C -0.273 175.337 176.094 -0.806 0.000 1.028 58 V CA -0.328 61.635 62.300 -0.561 0.000 0.860 58 V CB 0.827 32.341 31.823 -0.515 0.000 0.990 58 V HN 0.404 nan 8.190 nan 0.000 0.453 59 F N 4.084 123.758 119.950 -0.460 0.000 2.458 59 F HA 0.583 5.111 4.527 0.000 0.000 0.330 59 F C -0.013 175.463 175.800 -0.540 0.000 1.082 59 F CA -0.623 57.125 58.000 -0.419 0.000 0.995 59 F CB 1.753 40.661 39.000 -0.154 0.000 1.170 59 F HN 0.366 nan 8.300 nan 0.000 0.478 60 F N 3.591 123.713 119.950 0.287 0.000 2.334 60 F HA 0.280 4.807 4.527 0.000 0.000 0.343 60 F C -1.640 174.305 175.800 0.241 0.000 1.136 60 F CA -1.807 56.333 58.000 0.234 0.000 1.237 60 F CB 0.253 39.385 39.000 0.219 0.000 1.525 60 F HN 0.267 nan 8.300 nan 0.000 0.528 61 P HA -0.133 nan 4.420 nan 0.000 0.219 61 P C 1.387 178.792 177.300 0.174 0.000 1.146 61 P CA 1.248 64.440 63.100 0.154 0.000 0.808 61 P CB 0.318 32.062 31.700 0.074 0.000 0.779 62 G N -1.683 107.252 108.800 0.226 0.000 3.337 62 G HA2 0.048 4.008 3.960 0.000 0.000 0.246 62 G HA3 0.048 4.008 3.960 0.000 0.000 0.246 62 G C -0.165 174.889 174.900 0.257 0.000 1.131 62 G CA -0.391 44.820 45.100 0.185 0.000 0.773 62 G HN 0.152 nan 8.290 nan 0.000 0.544 63 F N 3.167 123.251 119.950 0.223 0.000 2.571 63 F HA 0.285 4.812 4.527 0.000 0.000 0.384 63 F C -1.593 174.357 175.800 0.249 0.000 1.058 63 F CA -2.448 55.685 58.000 0.222 0.000 1.200 63 F CB 1.107 40.242 39.000 0.225 0.000 1.077 63 F HN -0.053 nan 8.300 nan 0.000 0.558 64 P HA 0.318 nan 4.420 nan 0.000 0.238 64 P C -0.050 177.182 177.300 -0.114 0.000 1.794 64 P CA 0.363 63.409 63.100 -0.089 0.000 1.088 64 P CB 0.230 31.797 31.700 -0.222 0.000 1.923 65 G N 0.438 109.432 108.800 0.323 0.000 2.368 65 G HA2 -0.000 3.960 3.960 0.000 0.000 0.269 65 G HA3 -0.000 3.960 3.960 0.000 0.000 0.269 65 G C 0.220 175.379 174.900 0.431 0.000 1.291 65 G CA -0.347 44.907 45.100 0.257 0.000 0.903 65 G HN -0.039 nan 8.290 nan 0.000 0.483 66 S N -0.417 115.465 115.700 0.302 0.000 2.593 66 S HA 0.296 4.766 4.470 0.000 0.000 0.217 66 S C 0.925 175.615 174.600 0.150 0.000 0.966 66 S CA 0.065 58.382 58.200 0.195 0.000 0.914 66 S CB -0.254 63.010 63.200 0.107 0.000 0.776 66 S HN 0.348 nan 8.310 nan 0.000 0.523 67 I N 1.318 121.870 120.570 -0.030 0.000 2.337 67 I HA 0.148 4.318 4.170 0.000 0.000 0.291 67 I C 0.829 176.923 176.117 -0.038 0.000 1.046 67 I CA -0.126 61.005 61.300 -0.282 0.000 1.324 67 I CB 1.451 38.914 38.000 -0.895 0.000 1.409 67 I HN -0.059 nan 8.210 nan 0.000 0.494 68 V N 5.324 125.339 119.914 0.168 0.000 2.922 68 V HA 0.437 4.557 4.120 0.000 0.000 0.242 68 V C 0.943 177.273 176.094 0.394 0.000 1.094 68 V CA 1.057 63.546 62.300 0.314 0.000 1.106 68 V CB 0.421 32.430 31.823 0.310 0.000 0.799 68 V HN 0.960 nan 8.190 nan 0.000 0.474 69 G N -1.114 107.832 108.800 0.244 0.000 2.348 69 G HA2 0.661 4.621 3.960 0.000 0.000 0.296 69 G HA3 0.661 4.621 3.960 0.000 0.000 0.296 69 G C -1.839 173.030 174.900 -0.052 0.000 1.258 69 G CA 0.157 45.243 45.100 -0.023 0.000 0.868 69 G HN 0.658 nan 8.290 nan 0.000 0.488 70 A N -0.618 122.069 122.820 -0.222 0.000 2.549 70 A HA 0.789 5.109 4.320 0.000 0.000 0.297 70 A C -1.287 176.124 177.584 -0.289 0.000 1.061 70 A CA -0.440 51.497 52.037 -0.166 0.000 0.690 70 A CB 1.544 20.556 19.000 0.020 0.000 1.287 70 A HN 1.203 nan 8.150 nan 0.000 0.402 71 H N 1.223 119.994 119.070 -0.499 0.000 2.466 71 H HA 0.646 5.202 4.556 0.000 0.000 0.338 71 H C -1.805 173.225 175.328 -0.496 0.000 1.091 71 H CA -0.289 55.525 56.048 -0.389 0.000 1.207 71 H CB 0.916 30.498 29.762 -0.300 0.000 1.466 71 H HN 0.613 nan 8.280 nan 0.000 0.493 72 Y N 2.118 122.198 120.300 -0.367 0.000 2.425 72 Y HA 0.170 4.720 4.550 0.000 0.000 0.344 72 Y C 0.455 176.181 175.900 -0.289 0.000 0.969 72 Y CA -0.823 57.144 58.100 -0.223 0.000 1.052 72 Y CB 2.139 40.663 38.460 0.107 0.000 1.215 72 Y HN 0.583 nan 8.280 nan 0.000 0.451 73 T N 0.556 115.059 114.554 -0.085 0.000 2.922 73 T HA 0.570 4.920 4.350 0.000 0.000 0.285 73 T C -0.756 173.982 174.700 0.064 0.000 1.005 73 T CA -0.753 61.341 62.100 -0.010 0.000 1.061 73 T CB 1.393 70.249 68.868 -0.020 0.000 1.007 73 T HN 0.459 nan 8.240 nan 0.000 0.502 74 L N 1.863 123.048 121.223 -0.063 0.000 2.334 74 L HA 0.446 4.786 4.340 0.000 0.000 0.277 74 L C -0.055 176.712 176.870 -0.171 0.000 1.075 74 L CA -0.030 54.649 54.840 -0.269 0.000 0.804 74 L CB 1.144 42.983 42.059 -0.367 0.000 1.174 74 L HN 0.761 nan 8.230 nan 0.000 0.438 75 Q N 2.360 122.045 119.800 -0.192 0.000 2.297 75 Q HA 0.357 4.697 4.340 0.000 0.000 0.269 75 Q C 0.919 176.850 176.000 -0.116 0.000 1.051 75 Q CA -0.177 55.557 55.803 -0.114 0.000 0.869 75 Q CB 1.458 30.148 28.738 -0.080 0.000 1.346 75 Q HN 0.899 nan 8.270 nan 0.000 0.457 76 G N 1.656 110.409 108.800 -0.079 0.000 2.556 76 G HA2 -0.342 3.618 3.960 0.000 0.000 0.220 76 G HA3 -0.342 3.618 3.960 0.000 0.000 0.220 76 G C 0.886 175.738 174.900 -0.080 0.000 1.156 76 G CA 1.433 46.491 45.100 -0.070 0.000 0.766 76 G HN 0.846 nan 8.290 nan 0.000 0.583 77 N N 0.812 119.464 118.700 -0.080 0.000 2.515 77 N HA 0.131 4.871 4.740 0.000 0.000 0.191 77 N C 1.556 177.003 175.510 -0.106 0.000 1.182 77 N CA 1.023 54.025 53.050 -0.080 0.000 0.879 77 N CB 0.051 38.499 38.487 -0.066 0.000 0.984 77 N HN 0.588 nan 8.380 nan 0.000 0.453 78 G N 0.410 109.124 108.800 -0.144 0.000 2.176 78 G HA2 -0.255 3.705 3.960 0.000 0.000 0.253 78 G HA3 -0.255 3.705 3.960 0.000 0.000 0.253 78 G C -0.213 174.532 174.900 -0.257 0.000 0.979 78 G CA -0.194 44.790 45.100 -0.192 0.000 0.641 78 G HN 0.430 nan 8.290 nan 0.000 0.530 79 N N -0.143 118.428 118.700 -0.215 0.000 2.515 79 N HA 0.555 5.295 4.740 0.000 0.000 0.279 79 N C -0.083 175.268 175.510 -0.265 0.000 1.164 79 N CA -0.254 52.674 53.050 -0.202 0.000 0.982 79 N CB 0.446 38.871 38.487 -0.104 0.000 1.170 79 N HN 0.231 nan 8.380 nan 0.000 0.474 80 Y N 0.279 120.510 120.300 -0.115 0.000 2.301 80 Y HA 0.242 4.792 4.550 0.000 0.000 0.328 80 Y C 1.005 176.936 175.900 0.050 0.000 1.242 80 Y CA 0.092 58.173 58.100 -0.032 0.000 1.323 80 Y CB 1.023 39.438 38.460 -0.076 0.000 1.266 80 Y HN 0.194 nan 8.280 nan 0.000 0.527 81 K N 3.259 123.845 120.400 0.310 0.000 2.471 81 K HA 0.254 4.574 4.320 0.000 0.000 0.252 81 K C -1.438 175.368 176.600 0.343 0.000 0.938 81 K CA -0.802 55.645 56.287 0.266 0.000 0.796 81 K CB 0.903 33.474 32.500 0.119 0.000 1.161 81 K HN 0.559 nan 8.250 nan 0.000 0.425 82 F N 3.831 123.925 119.950 0.240 0.000 2.607 82 F HA -0.030 4.497 4.527 0.000 0.000 0.374 82 F C 0.884 176.618 175.800 -0.110 0.000 1.104 82 F CA 0.686 58.679 58.000 -0.011 0.000 1.296 82 F CB 0.798 39.817 39.000 0.031 0.000 1.085 82 F HN 0.819 nan 8.300 nan 0.000 0.584 83 D N 2.326 122.131 120.400 -0.992 0.000 2.805 83 D HA 0.107 4.747 4.640 0.000 0.000 0.271 83 D C -0.614 175.001 176.300 -1.143 0.000 1.166 83 D CA 0.922 54.460 54.000 -0.770 0.000 1.004 83 D CB 0.219 40.758 40.800 -0.435 0.000 1.136 83 D HN 0.676 nan 8.370 nan 0.000 0.444 84 Q N -0.877 118.154 119.800 -1.282 0.000 2.578 84 Q HA 0.322 4.662 4.340 0.000 0.000 0.284 84 Q C -1.090 174.646 176.000 -0.440 0.000 0.960 84 Q CA -1.037 54.277 55.803 -0.815 0.000 0.809 84 Q CB 1.111 29.648 28.738 -0.335 0.000 1.462 84 Q HN -0.046 nan 8.270 nan 0.000 0.392 85 M N 1.805 121.395 119.600 -0.017 0.000 2.243 85 M HA 0.354 4.834 4.480 0.000 0.000 0.341 85 M C -0.521 175.648 176.300 -0.217 0.000 1.130 85 M CA -0.009 55.303 55.300 0.020 0.000 1.162 85 M CB 0.003 32.669 32.600 0.109 0.000 1.497 85 M HN 0.615 nan 8.290 nan 0.000 0.456 86 L N 4.693 125.765 121.223 -0.252 0.000 2.272 86 L HA 0.551 4.891 4.340 0.000 0.000 0.289 86 L C -0.442 176.419 176.870 -0.014 0.000 1.032 86 L CA -0.372 54.187 54.840 -0.468 0.000 0.810 86 L CB 0.659 42.485 42.059 -0.389 0.000 1.205 86 L HN 0.563 nan 8.230 nan 0.000 0.422 87 L N 1.282 122.645 121.223 0.232 0.000 2.279 87 L HA 0.570 4.910 4.340 0.000 0.000 0.262 87 L C 0.525 177.600 176.870 0.342 0.000 1.019 87 L CA -0.799 54.207 54.840 0.277 0.000 0.823 87 L CB 1.916 44.111 42.059 0.226 0.000 1.358 87 L HN 0.384 nan 8.230 nan 0.000 0.432 88 T N 0.257 114.958 114.554 0.246 0.000 2.903 88 T HA 0.091 4.441 4.350 0.000 0.000 0.314 88 T C 1.137 175.929 174.700 0.154 0.000 1.078 88 T CA 0.515 62.743 62.100 0.214 0.000 1.114 88 T CB 1.399 70.390 68.868 0.205 0.000 0.987 88 T HN 0.727 nan 8.240 nan 0.000 0.548 89 A N 2.634 125.521 122.820 0.112 0.000 1.908 89 A HA -0.067 4.253 4.320 0.000 0.000 0.218 89 A C 1.029 178.650 177.584 0.062 0.000 1.181 89 A CA 1.449 53.519 52.037 0.056 0.000 0.627 89 A CB -0.364 18.661 19.000 0.041 0.000 0.818 89 A HN 0.850 nan 8.150 nan 0.000 0.445 90 Q N -1.519 118.329 119.800 0.080 0.000 2.433 90 Q HA 0.491 4.831 4.340 0.000 0.000 0.279 90 Q C -1.217 174.829 176.000 0.076 0.000 1.105 90 Q CA -0.981 54.865 55.803 0.072 0.000 0.815 90 Q CB 0.781 29.560 28.738 0.069 0.000 1.403 90 Q HN 0.137 nan 8.270 nan 0.000 0.435 91 N N 1.594 120.333 118.700 0.064 0.000 2.415 91 N HA 0.130 4.870 4.740 0.000 0.000 0.250 91 N C 0.485 176.032 175.510 0.061 0.000 1.127 91 N CA -0.008 53.077 53.050 0.060 0.000 0.945 91 N CB 0.316 38.832 38.487 0.049 0.000 1.196 91 N HN 0.765 nan 8.380 nan 0.000 0.499 92 L N 4.483 125.737 121.223 0.053 0.000 2.043 92 L HA -0.123 4.217 4.340 0.000 0.000 0.212 92 L C -0.666 176.271 176.870 0.112 0.000 1.075 92 L CA 1.264 56.156 54.840 0.087 0.000 0.752 92 L CB -1.066 40.937 42.059 -0.094 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.128 nan 4.420 nan 0.000 0.228 93 P C 1.093 178.394 177.300 0.002 0.000 1.151 93 P CA 1.260 64.374 63.100 0.023 0.000 0.770 93 P CB -0.018 31.688 31.700 0.010 0.000 0.786 94 A N -1.279 121.544 122.820 0.005 0.000 2.119 94 A HA 0.004 4.324 4.320 0.000 0.000 0.216 94 A C 2.009 179.547 177.584 -0.077 0.000 1.152 94 A CA 1.542 53.564 52.037 -0.025 0.000 0.708 94 A CB -0.555 18.438 19.000 -0.011 0.000 0.805 94 A HN 0.141 nan 8.150 nan 0.000 0.460 95 S N -2.784 112.845 115.700 -0.119 0.000 2.631 95 S HA 0.338 4.808 4.470 0.000 0.000 0.246 95 S C -0.414 173.831 174.600 -0.592 0.000 1.068 95 S CA -0.244 57.735 58.200 -0.369 0.000 0.995 95 S CB 0.148 63.057 63.200 -0.485 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.046 121.333 120.300 -0.022 0.000 2.536 96 Y HA 0.523 5.073 4.550 0.000 0.000 0.347 96 Y C 0.718 176.591 175.900 -0.046 0.000 1.000 96 Y CA -1.074 57.020 58.100 -0.010 0.000 1.051 96 Y CB 1.045 39.503 38.460 -0.003 0.000 1.259 96 Y HN -0.147 nan 8.280 nan 0.000 0.468 97 N N -0.027 118.743 118.700 0.117 0.000 2.407 97 N HA 0.085 4.825 4.740 0.000 0.000 0.182 97 N C -1.160 174.151 175.510 -0.333 0.000 1.079 97 N CA 0.521 53.496 53.050 -0.124 0.000 0.882 97 N CB 0.449 38.858 38.487 -0.130 0.000 1.106 97 N HN 0.531 nan 8.380 nan 0.000 0.461 98 Y N -1.026 119.351 120.300 0.128 0.000 2.545 98 Y HA 0.548 5.098 4.550 0.000 0.000 0.348 98 Y C -0.162 175.867 175.900 0.215 0.000 1.002 98 Y CA -1.160 57.035 58.100 0.159 0.000 1.039 98 Y CB 2.207 40.771 38.460 0.173 0.000 1.271 98 Y HN -0.109 nan 8.280 nan 0.000 0.467 99 C N 2.441 121.954 119.300 0.354 0.000 3.284 99 C HA 0.847 5.307 4.460 0.000 0.000 0.338 99 C C -1.797 173.172 174.990 -0.036 0.000 1.237 99 C CA -0.716 58.385 59.018 0.138 0.000 1.276 99 C CB 1.815 29.547 27.740 -0.014 0.000 1.601 99 C HN 1.031 nan 8.230 nan 0.000 0.494 100 R N 2.675 123.134 120.500 -0.068 0.000 2.548 100 R HA 0.663 5.003 4.340 0.000 0.000 0.280 100 R C -1.746 174.607 176.300 0.088 0.000 1.061 100 R CA -0.649 55.373 56.100 -0.130 0.000 0.915 100 R CB 1.686 31.652 30.300 -0.556 0.000 1.210 100 R HN 0.817 nan 8.270 nan 0.000 0.442 101 L N 4.693 125.988 121.223 0.120 0.000 2.319 101 L HA 0.230 4.570 4.340 0.000 0.000 0.280 101 L C 0.141 177.030 176.870 0.033 0.000 1.099 101 L CA 0.386 55.253 54.840 0.044 0.000 0.828 101 L CB 1.614 43.711 42.059 0.064 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.544 122.436 119.914 -0.037 0.000 2.492 102 V HA 0.258 4.378 4.120 0.000 0.000 0.241 102 V C 0.561 176.714 176.094 0.098 0.000 1.041 102 V CA 1.129 63.494 62.300 0.107 0.000 1.057 102 V CB 0.044 31.924 31.823 0.095 0.000 0.711 102 V HN 0.941 nan 8.190 nan 0.000 0.468 103 S N -0.294 115.370 115.700 -0.060 0.000 2.597 103 S HA 0.718 5.188 4.470 0.000 0.000 0.274 103 S C -0.944 173.575 174.600 -0.135 0.000 1.132 103 S CA -0.915 57.240 58.200 -0.075 0.000 0.835 103 S CB 2.625 65.765 63.200 -0.101 0.000 1.092 103 S HN 0.485 nan 8.310 nan 0.000 0.457 104 R N 0.441 120.879 120.500 -0.103 0.000 2.579 104 R HA 0.668 5.008 4.340 0.000 0.000 0.260 104 R C -1.691 174.539 176.300 -0.117 0.000 1.103 104 R CA -0.003 56.029 56.100 -0.114 0.000 0.942 104 R CB 1.703 31.942 30.300 -0.101 0.000 1.251 104 R HN 1.304 nan 8.270 nan 0.000 0.450 105 S N 3.984 119.603 115.700 -0.134 0.000 2.549 105 S HA 0.774 5.244 4.470 0.000 0.000 0.280 105 S C -1.177 173.296 174.600 -0.211 0.000 1.109 105 S CA -0.806 57.277 58.200 -0.195 0.000 0.905 105 S CB 1.753 64.823 63.200 -0.216 0.000 1.081 105 S HN 0.433 nan 8.310 nan 0.000 0.477 106 L N 1.842 122.890 121.223 -0.291 0.000 2.409 106 L HA 0.738 5.078 4.340 0.000 0.000 0.262 106 L C -0.251 176.485 176.870 -0.224 0.000 0.992 106 L CA -0.577 54.090 54.840 -0.288 0.000 0.817 106 L CB 2.860 44.570 42.059 -0.581 0.000 1.350 106 L HN 1.004 nan 8.230 nan 0.000 0.411 107 T N -0.816 113.672 114.554 -0.111 0.000 2.885 107 T HA 0.815 5.165 4.350 0.000 0.000 0.285 107 T C -0.685 174.029 174.700 0.023 0.000 1.019 107 T CA -0.833 61.236 62.100 -0.053 0.000 1.010 107 T CB 1.973 70.820 68.868 -0.035 0.000 1.022 107 T HN 0.207 nan 8.240 nan 0.000 0.466 108 V N 3.494 123.439 119.914 0.051 0.000 2.482 108 V HA 0.722 4.842 4.120 0.000 0.000 0.295 108 V C -0.157 175.962 176.094 0.042 0.000 1.026 108 V CA -0.900 61.446 62.300 0.077 0.000 0.856 108 V CB 1.034 32.948 31.823 0.152 0.000 1.001 108 V HN 1.137 nan 8.190 nan 0.000 0.424 109 R N 2.216 122.722 120.500 0.010 0.000 2.710 109 R HA 0.729 5.069 4.340 0.000 0.000 0.270 109 R C -0.571 175.705 176.300 -0.039 0.000 1.021 109 R CA -0.643 55.455 56.100 -0.003 0.000 0.889 109 R CB 1.837 32.145 30.300 0.013 0.000 1.243 109 R HN 0.578 nan 8.270 nan 0.000 0.464 110 S N 0.114 115.786 115.700 -0.046 0.000 2.592 110 S HA 0.238 4.708 4.470 0.000 0.000 0.271 110 S C 0.538 175.119 174.600 -0.033 0.000 1.326 110 S CA -0.011 58.153 58.200 -0.062 0.000 1.024 110 S CB 1.322 64.485 63.200 -0.063 0.000 0.921 110 S HN 0.881 nan 8.310 nan 0.000 0.527 111 S N -0.541 115.139 115.700 -0.033 0.000 2.893 111 S HA 0.338 4.808 4.470 0.000 0.000 0.258 111 S C -0.085 174.507 174.600 -0.014 0.000 1.034 111 S CA -0.424 57.765 58.200 -0.017 0.000 1.167 111 S CB 0.128 63.319 63.200 -0.016 0.000 1.137 111 S HN 0.716 nan 8.310 nan 0.000 0.650 112 T N 2.145 116.687 114.554 -0.019 0.000 2.933 112 T HA 0.590 4.940 4.350 0.000 0.000 0.305 112 T C -1.551 173.141 174.700 -0.014 0.000 1.092 112 T CA -0.548 61.544 62.100 -0.013 0.000 1.008 112 T CB 1.609 70.467 68.868 -0.016 0.000 1.102 112 T HN 0.262 nan 8.240 nan 0.000 0.469 113 L N 4.321 125.542 121.223 -0.005 0.000 2.319 113 L HA 0.364 4.704 4.340 0.000 0.000 0.281 113 L C -1.556 175.314 176.870 -0.001 0.000 1.005 113 L CA -2.025 52.811 54.840 -0.006 0.000 0.828 113 L CB 1.679 43.739 42.059 0.003 0.000 1.227 113 L HN 0.455 nan 8.230 nan 0.000 0.415 114 P HA -0.143 nan 4.420 nan 0.000 0.209 114 P C 0.312 177.616 177.300 0.006 0.000 1.167 114 P CA 1.017 64.115 63.100 -0.003 0.000 0.941 114 P CB 0.184 31.879 31.700 -0.009 0.000 0.787 115 G N -3.932 104.874 108.800 0.010 0.000 2.213 115 G HA2 0.430 4.390 3.960 0.000 0.000 0.249 115 G HA3 0.430 4.390 3.960 0.000 0.000 0.249 115 G C 0.245 175.163 174.900 0.030 0.000 2.618 115 G CA 0.247 45.360 45.100 0.022 0.000 0.788 115 G HN 0.506 nan 8.290 nan 0.000 0.498 116 G N -0.531 108.303 108.800 0.058 0.000 2.175 116 G HA2 -0.038 3.922 3.960 0.000 0.000 0.244 116 G HA3 -0.038 3.922 3.960 0.000 0.000 0.244 116 G C 0.255 175.184 174.900 0.049 0.000 0.982 116 G CA 0.388 45.541 45.100 0.088 0.000 0.641 116 G HN 1.629 nan 8.290 nan 0.000 0.527 117 V N 1.681 121.592 119.914 -0.006 0.000 2.347 117 V HA 0.541 4.661 4.120 0.000 0.000 0.280 117 V C 0.737 176.795 176.094 -0.060 0.000 1.021 117 V CA -0.036 62.183 62.300 -0.135 0.000 0.847 117 V CB 0.702 32.460 31.823 -0.109 0.000 0.990 117 V HN 0.483 nan 8.190 nan 0.000 0.444 118 Y N 3.047 123.350 120.300 0.005 0.000 2.481 118 Y HA 0.846 5.396 4.550 0.000 0.000 0.247 118 Y C 0.480 176.383 175.900 0.006 0.000 1.151 118 Y CA -0.158 57.945 58.100 0.005 0.000 1.238 118 Y CB 0.128 38.591 38.460 0.005 0.000 1.179 118 Y HN 0.489 nan 8.280 nan 0.000 0.524 119 A N 0.371 123.138 122.820 -0.090 0.000 2.532 119 A HA 0.643 4.963 4.320 0.000 0.000 0.290 119 A C -1.145 176.407 177.584 -0.053 0.000 1.143 119 A CA -0.833 51.195 52.037 -0.014 0.000 0.728 119 A CB 0.724 19.731 19.000 0.011 0.000 1.317 119 A HN 0.080 nan 8.150 nan 0.000 0.414 120 L N 2.304 123.518 121.223 -0.014 0.000 2.499 120 L HA 0.172 4.512 4.340 0.000 0.000 0.281 120 L C 0.554 177.405 176.870 -0.031 0.000 1.234 120 L CA 0.889 55.721 54.840 -0.014 0.000 0.839 120 L CB -0.354 41.709 42.059 0.007 0.000 1.104 120 L HN 0.894 nan 8.230 nan 0.000 0.500 121 N N 0.572 119.258 118.700 -0.023 0.000 2.484 121 N HA 0.605 5.345 4.740 0.000 0.000 0.269 121 N C -0.444 175.065 175.510 -0.001 0.000 1.237 121 N CA -0.293 52.743 53.050 -0.024 0.000 0.838 121 N CB 1.979 40.440 38.487 -0.044 0.000 1.593 121 N HN 0.803 nan 8.380 nan 0.000 0.485 122 G N 0.296 109.099 108.800 0.005 0.000 2.716 122 G HA2 0.041 4.001 3.960 0.000 0.000 0.686 122 G HA3 0.041 4.001 3.960 0.000 0.000 0.686 122 G C -0.581 174.354 174.900 0.057 0.000 1.337 122 G CA -0.281 44.836 45.100 0.028 0.000 0.829 122 G HN 1.258 nan 8.290 nan 0.000 0.599 123 T N -1.375 113.228 114.554 0.081 0.000 2.916 123 T HA 0.796 5.146 4.350 0.000 0.000 0.292 123 T C -0.005 174.886 174.700 0.317 0.000 1.055 123 T CA -0.874 61.325 62.100 0.164 0.000 1.009 123 T CB 2.189 71.160 68.868 0.171 0.000 1.118 123 T HN 0.965 nan 8.240 nan 0.000 0.497 124 I N 1.937 122.696 120.570 0.314 0.000 2.530 124 I HA 0.470 4.640 4.170 0.000 0.000 0.297 124 I C -0.632 175.588 176.117 0.172 0.000 1.011 124 I CA -1.032 60.470 61.300 0.336 0.000 1.107 124 I CB 1.958 40.091 38.000 0.221 0.000 1.285 124 I HN 0.575 nan 8.210 nan 0.000 0.436 125 N N 3.928 122.588 118.700 -0.068 0.000 2.314 125 N HA 0.810 5.550 4.740 0.000 0.000 0.304 125 N C -1.202 174.223 175.510 -0.142 0.000 1.073 125 N CA -0.487 52.388 53.050 -0.291 0.000 0.822 125 N CB 2.284 40.280 38.487 -0.818 0.000 1.280 125 N HN 0.702 nan 8.380 nan 0.000 0.489 126 A N 0.651 123.418 122.820 -0.089 0.000 2.515 126 A HA 0.800 5.120 4.320 0.000 0.000 0.298 126 A C -1.175 176.383 177.584 -0.043 0.000 1.059 126 A CA -0.589 51.428 52.037 -0.034 0.000 0.698 126 A CB 1.012 20.027 19.000 0.026 0.000 1.289 126 A HN 0.385 nan 8.150 nan 0.000 0.404 127 V N -1.097 118.804 119.914 -0.022 0.000 3.049 127 V HA 0.804 4.924 4.120 0.000 0.000 0.309 127 V C -0.307 175.806 176.094 0.032 0.000 1.148 127 V CA -0.724 61.572 62.300 -0.007 0.000 0.990 127 V CB 1.606 33.430 31.823 0.002 0.000 1.039 127 V HN 0.809 nan 8.190 nan 0.000 0.430 128 T N 3.779 118.354 114.554 0.034 0.000 2.758 128 T HA 0.608 4.958 4.350 0.000 0.000 0.285 128 T C -0.936 173.833 174.700 0.115 0.000 0.981 128 T CA 0.081 62.218 62.100 0.062 0.000 0.965 128 T CB 0.767 69.642 68.868 0.012 0.000 0.927 128 T HN 0.662 nan 8.240 nan 0.000 0.448 129 F N 2.734 122.673 119.950 -0.019 0.000 2.436 129 F HA 0.345 4.872 4.527 0.000 0.000 0.340 129 F C 0.821 176.622 175.800 0.001 0.000 1.113 129 F CA -0.950 57.042 58.000 -0.013 0.000 1.022 129 F CB 1.467 40.460 39.000 -0.013 0.000 1.128 129 F HN 0.462 nan 8.300 nan 0.000 0.466 130 Q N 4.598 124.014 119.800 -0.639 0.000 2.404 130 Q HA 0.311 4.651 4.340 0.000 0.000 0.272 130 Q C 0.039 175.616 176.000 -0.704 0.000 0.939 130 Q CA -0.121 55.373 55.803 -0.515 0.000 0.945 130 Q CB 0.011 28.543 28.738 -0.343 0.000 1.195 130 Q HN 0.889 nan 8.270 nan 0.000 0.415 131 G N -0.636 107.633 108.800 -0.886 0.000 2.645 131 G HA2 0.385 4.345 3.960 0.000 0.000 0.292 131 G HA3 0.385 4.345 3.960 0.000 0.000 0.292 131 G C -0.901 174.089 174.900 0.150 0.000 1.415 131 G CA -0.645 44.207 45.100 -0.412 0.000 0.785 131 G HN 0.207 nan 8.290 nan 0.000 0.483 132 S N -0.626 115.241 115.700 0.279 0.000 2.669 132 S HA 0.376 4.846 4.470 0.000 0.000 0.270 132 S C 1.429 176.244 174.600 0.358 0.000 1.225 132 S CA -0.433 57.954 58.200 0.312 0.000 0.991 132 S CB 1.500 64.843 63.200 0.239 0.000 0.987 132 S HN 0.894 nan 8.310 nan 0.000 0.552 133 L N 1.746 123.131 121.223 0.269 0.000 2.021 133 L HA -0.148 4.192 4.340 0.000 0.000 0.215 133 L C 2.540 179.472 176.870 0.103 0.000 1.074 133 L CA 2.708 57.626 54.840 0.130 0.000 0.760 133 L CB -1.490 40.621 42.059 0.087 0.000 0.889 133 L HN 0.990 nan 8.230 nan 0.000 0.433 134 S N -1.938 113.851 115.700 0.149 0.000 2.507 134 S HA -0.115 4.355 4.470 0.000 0.000 0.235 134 S C 1.602 176.263 174.600 0.102 0.000 0.988 134 S CA 0.945 59.218 58.200 0.122 0.000 0.944 134 S CB -0.608 62.651 63.200 0.097 0.000 0.762 134 S HN 0.678 nan 8.310 nan 0.000 0.526 135 E N 0.438 120.735 120.200 0.161 0.000 2.371 135 E HA 0.214 4.564 4.350 0.000 0.000 0.194 135 E C -0.157 176.474 176.600 0.051 0.000 1.012 135 E CA -0.147 56.376 56.400 0.205 0.000 0.860 135 E CB -0.087 29.850 29.700 0.395 0.000 0.811 135 E HN 0.521 nan 8.360 nan 0.000 0.502 136 L N 1.996 123.059 121.223 -0.267 0.000 2.513 136 L HA -0.044 4.296 4.340 0.000 0.000 0.272 136 L C 1.773 178.516 176.870 -0.211 0.000 1.187 136 L CA 0.129 54.639 54.840 -0.550 0.000 0.895 136 L CB 0.723 42.422 42.059 -0.601 0.000 1.147 136 L HN 0.170 nan 8.230 nan 0.000 0.483 137 T N -1.877 112.579 114.554 -0.163 0.000 2.985 137 T HA -0.024 4.326 4.350 0.000 0.000 0.266 137 T C 0.432 175.091 174.700 -0.070 0.000 1.076 137 T CA 0.326 62.383 62.100 -0.072 0.000 1.135 137 T CB 0.119 68.968 68.868 -0.033 0.000 0.890 137 T HN 0.513 nan 8.240 nan 0.000 0.480 138 D N 0.776 121.118 120.400 -0.096 0.000 2.736 138 D HA 0.310 4.950 4.640 0.000 0.000 0.243 138 D C 0.243 176.504 176.300 -0.065 0.000 1.304 138 D CA -0.690 53.275 54.000 -0.059 0.000 0.934 138 D CB 2.235 43.010 40.800 -0.043 0.000 1.382 138 D HN 0.097 nan 8.370 nan 0.000 0.571 139 V N 1.406 121.316 119.914 -0.008 0.000 3.276 139 V HA 0.301 4.421 4.120 0.000 0.000 0.319 139 V C 0.766 176.931 176.094 0.117 0.000 1.427 139 V CA -0.033 62.280 62.300 0.021 0.000 1.102 139 V CB -0.484 31.384 31.823 0.076 0.000 1.020 139 V HN 0.452 nan 8.190 nan 0.000 0.456 140 S N -0.699 115.064 115.700 0.105 0.000 2.584 140 S HA 0.249 4.719 4.470 0.000 0.000 0.270 140 S C 0.866 175.542 174.600 0.126 0.000 1.346 140 S CA 0.245 58.529 58.200 0.140 0.000 1.018 140 S CB 0.625 63.873 63.200 0.080 0.000 0.899 140 S HN 0.472 nan 8.310 nan 0.000 0.542 141 Y N 2.776 123.100 120.300 0.040 0.000 2.062 141 Y HA -0.322 4.228 4.550 0.000 0.000 0.276 141 Y C 2.100 178.007 175.900 0.011 0.000 1.189 141 Y CA 2.727 60.839 58.100 0.019 0.000 1.130 141 Y CB -0.525 37.936 38.460 0.002 0.000 0.959 141 Y HN 0.724 nan 8.280 nan 0.000 0.499 142 N N -0.244 118.540 118.700 0.141 0.000 2.216 142 N HA -0.081 4.659 4.740 0.000 0.000 0.183 142 N C 2.030 177.524 175.510 -0.026 0.000 1.017 142 N CA 1.291 54.368 53.050 0.045 0.000 0.861 142 N CB -0.993 37.555 38.487 0.103 0.000 0.986 142 N HN 0.546 nan 8.380 nan 0.000 0.428 143 G N 1.725 110.520 108.800 -0.008 0.000 2.422 143 G HA2 -0.133 3.827 3.960 0.000 0.000 0.218 143 G HA3 -0.133 3.827 3.960 0.000 0.000 0.218 143 G C 1.663 176.530 174.900 -0.054 0.000 1.140 143 G CA 0.161 45.246 45.100 -0.024 0.000 0.775 143 G HN 0.198 nan 8.290 nan 0.000 0.545 144 L N 0.140 121.316 121.223 -0.079 0.000 2.064 144 L HA -0.198 4.142 4.340 0.000 0.000 0.216 144 L C 2.935 179.756 176.870 -0.083 0.000 1.077 144 L CA 1.173 55.953 54.840 -0.100 0.000 0.766 144 L CB -0.443 41.532 42.059 -0.139 0.000 0.890 144 L HN 0.215 nan 8.230 nan 0.000 0.435 145 M N -0.606 118.939 119.600 -0.091 0.000 2.530 145 M HA -0.114 4.366 4.480 0.000 0.000 0.261 145 M C 1.721 177.997 176.300 -0.040 0.000 1.067 145 M CA 1.280 56.537 55.300 -0.072 0.000 1.071 145 M CB -0.957 31.598 32.600 -0.076 0.000 1.405 145 M HN 0.297 nan 8.290 nan 0.000 0.478 146 S N -1.136 114.547 115.700 -0.029 0.000 2.593 146 S HA 0.414 4.884 4.470 0.000 0.000 0.236 146 S C 1.643 176.253 174.600 0.017 0.000 0.991 146 S CA 0.181 58.376 58.200 -0.008 0.000 0.963 146 S CB 0.026 63.221 63.200 -0.008 0.000 0.865 146 S HN 0.395 nan 8.310 nan 0.000 0.488 147 A N 1.921 124.754 122.820 0.023 0.000 2.015 147 A HA 0.168 4.488 4.320 0.000 0.000 0.219 147 A C 1.213 178.916 177.584 0.199 0.000 1.163 147 A CA 1.011 53.110 52.037 0.102 0.000 0.646 147 A CB -0.426 18.606 19.000 0.054 0.000 0.806 147 A HN 0.510 nan 8.150 nan 0.000 0.448 148 T N -3.721 110.891 114.554 0.098 0.000 2.906 148 T HA 0.628 4.978 4.350 0.000 0.000 0.295 148 T C 0.664 175.372 174.700 0.014 0.000 1.075 148 T CA -0.137 61.995 62.100 0.054 0.000 1.005 148 T CB 1.877 70.757 68.868 0.020 0.000 1.136 148 T HN 0.302 nan 8.240 nan 0.000 0.498 149 A N 0.751 123.570 122.820 -0.002 0.000 2.132 149 A HA 0.212 4.532 4.320 0.000 0.000 0.213 149 A C 0.716 178.281 177.584 -0.032 0.000 1.154 149 A CA -0.055 51.973 52.037 -0.015 0.000 0.753 149 A CB -0.725 18.266 19.000 -0.015 0.000 0.826 149 A HN 0.846 nan 8.150 nan 0.000 0.469 150 N N 0.461 119.137 118.700 -0.039 0.000 2.431 150 N HA 0.167 4.907 4.740 0.000 0.000 0.265 150 N C 0.661 176.127 175.510 -0.073 0.000 1.184 150 N CA -0.394 52.620 53.050 -0.059 0.000 0.943 150 N CB 0.886 39.333 38.487 -0.067 0.000 1.080 150 N HN 0.254 nan 8.380 nan 0.000 0.477 151 I N 2.824 123.346 120.570 -0.080 0.000 2.454 151 I HA -0.207 3.963 4.170 0.000 0.000 0.254 151 I C 1.058 177.092 176.117 -0.137 0.000 1.156 151 I CA 1.367 62.610 61.300 -0.094 0.000 1.433 151 I CB -0.089 37.861 38.000 -0.085 0.000 1.082 151 I HN 0.546 nan 8.210 nan 0.000 0.432 152 N N 0.459 119.062 118.700 -0.161 0.000 2.314 152 N HA 0.012 4.752 4.740 0.000 0.000 0.200 152 N C 0.191 175.561 175.510 -0.233 0.000 1.135 152 N CA 0.378 53.283 53.050 -0.242 0.000 0.835 152 N CB 0.049 38.379 38.487 -0.261 0.000 0.989 152 N HN 0.412 nan 8.380 nan 0.000 0.478 153 D N 0.325 120.631 120.400 -0.157 0.000 2.479 153 D HA 0.077 4.717 4.640 0.000 0.000 0.218 153 D C 0.088 176.334 176.300 -0.090 0.000 1.177 153 D CA 0.208 54.137 54.000 -0.119 0.000 0.830 153 D CB 0.882 41.635 40.800 -0.078 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.057 120.278 120.400 -0.108 0.000 2.502 154 K HA 0.661 4.981 4.320 0.000 0.000 0.257 154 K C -1.424 175.116 176.600 -0.099 0.000 0.938 154 K CA -0.892 55.344 56.287 -0.085 0.000 0.819 154 K CB 2.666 35.125 32.500 -0.068 0.000 1.333 154 K HN -0.179 nan 8.250 nan 0.000 0.434 155 I N 0.694 121.216 120.570 -0.079 0.000 2.656 155 I HA 0.528 4.698 4.170 0.000 0.000 0.292 155 I C -1.205 174.881 176.117 -0.051 0.000 1.144 155 I CA -0.096 61.166 61.300 -0.062 0.000 1.038 155 I CB 2.460 40.432 38.000 -0.047 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.218 112.997 108.800 -0.035 0.000 2.530 156 G HA2 0.422 4.382 3.960 0.000 0.000 0.316 156 G HA3 0.422 4.382 3.960 0.000 0.000 0.316 156 G C -0.506 174.408 174.900 0.024 0.000 1.298 156 G CA -0.460 44.621 45.100 -0.030 0.000 0.948 156 G HN 0.676 nan 8.290 nan 0.000 0.486 157 N N -0.204 118.535 118.700 0.066 0.000 2.738 157 N HA -0.168 4.572 4.740 0.000 0.000 0.249 157 N C 0.326 175.899 175.510 0.106 0.000 1.047 157 N CA 0.666 53.797 53.050 0.135 0.000 0.707 157 N CB -1.068 37.493 38.487 0.123 0.000 0.937 157 N HN 0.416 nan 8.380 nan 0.000 0.545 158 V N 1.138 121.114 119.914 0.103 0.000 2.614 158 V HA 0.103 4.223 4.120 0.000 0.000 0.291 158 V C 1.460 177.616 176.094 0.104 0.000 1.049 158 V CA -0.506 61.850 62.300 0.094 0.000 1.038 158 V CB 0.988 32.866 31.823 0.092 0.000 0.980 158 V HN 0.172 nan 8.190 nan 0.000 0.481 159 L N 4.752 126.025 121.223 0.083 0.000 2.490 159 L HA 0.057 4.397 4.340 0.000 0.000 0.274 159 L C 1.457 178.370 176.870 0.071 0.000 1.201 159 L CA -0.037 54.847 54.840 0.072 0.000 0.869 159 L CB 0.591 42.683 42.059 0.055 0.000 1.123 159 L HN 0.500 nan 8.230 nan 0.000 0.484 160 V N 3.411 123.364 119.914 0.066 0.000 2.490 160 V HA -0.191 3.929 4.120 0.000 0.000 0.250 160 V C 2.266 178.377 176.094 0.029 0.000 1.061 160 V CA 2.152 64.483 62.300 0.052 0.000 1.064 160 V CB -0.708 31.137 31.823 0.036 0.000 0.670 160 V HN 1.115 nan 8.190 nan 0.000 0.461 161 G N -0.684 108.132 108.800 0.027 0.000 2.422 161 G HA2 -0.282 3.678 3.960 0.000 0.000 0.218 161 G HA3 -0.282 3.678 3.960 0.000 0.000 0.218 161 G C 1.553 176.471 174.900 0.030 0.000 1.146 161 G CA 0.968 46.081 45.100 0.021 0.000 0.769 161 G HN 0.574 nan 8.290 nan 0.000 0.547 162 E N 0.113 120.338 120.200 0.042 0.000 2.051 162 E HA 0.270 4.620 4.350 0.000 0.000 0.189 162 E C 1.345 177.978 176.600 0.056 0.000 0.979 162 E CA 0.794 57.224 56.400 0.051 0.000 0.803 162 E CB -0.115 29.621 29.700 0.060 0.000 0.761 162 E HN 0.472 nan 8.360 nan 0.000 0.451 163 G N -0.087 108.749 108.800 0.061 0.000 2.710 163 G HA2 -0.188 3.772 3.960 0.000 0.000 0.668 163 G HA3 -0.188 3.772 3.960 0.000 0.000 0.668 163 G C -0.958 173.989 174.900 0.079 0.000 1.320 163 G CA -0.312 44.825 45.100 0.063 0.000 0.860 163 G HN 0.288 nan 8.290 nan 0.000 0.538 164 V N 0.213 120.174 119.914 0.078 0.000 2.769 164 V HA 0.826 4.946 4.120 0.000 0.000 0.312 164 V C 0.333 176.454 176.094 0.045 0.000 1.061 164 V CA -0.102 62.251 62.300 0.088 0.000 0.931 164 V CB 2.367 34.251 31.823 0.102 0.000 1.010 164 V HN 1.168 nan 8.190 nan 0.000 0.433 165 T N 3.658 118.234 114.554 0.036 0.000 2.792 165 T HA 0.526 4.876 4.350 0.000 0.000 0.280 165 T C -0.589 174.077 174.700 -0.057 0.000 0.990 165 T CA -0.310 61.718 62.100 -0.119 0.000 0.960 165 T CB 1.463 70.086 68.868 -0.408 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.735 124.556 119.914 -0.154 0.000 2.370 166 V HA 0.486 4.606 4.120 0.000 0.000 0.279 166 V C -0.368 175.620 176.094 -0.178 0.000 1.029 166 V CA -0.747 61.472 62.300 -0.135 0.000 0.870 166 V CB 1.230 32.890 31.823 -0.272 0.000 0.984 166 V HN 0.649 nan 8.190 nan 0.000 0.451 167 L N 4.912 126.105 121.223 -0.051 0.000 2.333 167 L HA 0.592 4.932 4.340 0.000 0.000 0.280 167 L C 0.224 177.085 176.870 -0.015 0.000 1.004 167 L CA 0.240 55.052 54.840 -0.046 0.000 0.820 167 L CB 2.046 44.164 42.059 0.098 0.000 1.247 167 L HN 0.631 nan 8.230 nan 0.000 0.416 168 S N 5.990 121.666 115.700 -0.039 0.000 2.448 168 S HA 0.539 5.009 4.470 0.000 0.000 0.279 168 S C -0.412 174.188 174.600 0.000 0.000 1.195 168 S CA -0.525 57.664 58.200 -0.017 0.000 1.051 168 S CB -0.299 62.890 63.200 -0.020 0.000 0.948 168 S HN 0.605 nan 8.310 nan 0.000 0.493 169 L N 6.470 127.691 121.223 -0.003 0.000 2.331 169 L HA 0.569 4.909 4.340 0.000 0.000 0.275 169 L C -1.753 175.091 176.870 -0.045 0.000 1.022 169 L CA -2.356 52.479 54.840 -0.008 0.000 0.812 169 L CB 1.490 43.539 42.059 -0.017 0.000 1.257 169 L HN 0.526 nan 8.230 nan 0.000 0.435 170 P HA 0.088 nan 4.420 nan 0.000 0.271 170 P C -0.584 176.571 177.300 -0.242 0.000 1.218 170 P CA -0.209 62.750 63.100 -0.235 0.000 0.780 170 P CB 0.681 32.043 31.700 -0.563 0.000 0.901 171 T N -2.113 112.289 114.554 -0.253 0.000 3.331 171 T HA 0.493 4.843 4.350 0.000 0.000 0.381 171 T C -0.267 174.267 174.700 -0.277 0.000 1.656 171 T CA -0.683 61.286 62.100 -0.218 0.000 1.453 171 T CB -0.777 68.004 68.868 -0.146 0.000 1.066 171 T HN 0.625 nan 8.240 nan 0.000 0.655 172 S N 1.340 116.835 115.700 -0.342 0.000 2.912 172 S HA -0.103 4.367 4.470 0.000 0.000 0.857 172 S C -0.774 173.570 174.600 -0.427 0.000 0.919 172 S CA -0.677 57.337 58.200 -0.311 0.000 1.424 172 S CB -1.030 62.038 63.200 -0.221 0.000 1.019 172 S HN 0.720 nan 8.310 nan 0.000 0.231 173 Y N 2.098 122.365 120.300 -0.055 0.000 2.645 173 Y HA 0.460 5.010 4.550 0.000 0.000 0.341 173 Y C 1.328 177.189 175.900 -0.064 0.000 1.234 173 Y CA -0.256 57.808 58.100 -0.060 0.000 1.352 173 Y CB 0.424 38.850 38.460 -0.057 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 0.156 0.000 2.737 174 D HA -0.187 4.454 4.640 0.000 0.000 0.233 174 D C -1.054 175.272 176.300 0.044 0.000 1.155 174 D CA 0.760 54.802 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 -0.123 121.122 121.223 0.036 0.000 2.417 175 L HA 0.402 4.742 4.340 0.000 0.000 0.268 175 L C 1.828 178.777 176.870 0.131 0.000 1.158 175 L CA -0.134 54.716 54.840 0.017 0.000 0.819 175 L CB 0.836 42.849 42.059 -0.078 0.000 1.112 175 L HN 0.034 nan 8.230 nan 0.000 0.458 176 G N 0.556 109.502 108.800 0.243 0.000 2.606 176 G HA2 0.173 4.133 3.960 0.000 0.000 0.252 176 G HA3 0.173 4.133 3.960 0.000 0.000 0.252 176 G C -0.874 174.184 174.900 0.263 0.000 1.206 176 G CA -0.338 44.923 45.100 0.267 0.000 0.861 176 G HN 0.342 nan 8.290 nan 0.000 0.561 177 Y N -0.495 119.871 120.300 0.110 0.000 2.511 177 Y HA 0.232 4.782 4.550 0.000 0.000 0.332 177 Y C 0.892 176.850 175.900 0.097 0.000 1.177 177 Y CA 0.222 58.384 58.100 0.105 0.000 1.422 177 Y CB 1.042 39.541 38.460 0.064 0.000 1.271 177 Y HN 0.149 nan 8.280 nan 0.000 0.550 178 V N 5.359 125.313 119.914 0.066 0.000 2.427 178 V HA 0.313 4.433 4.120 0.000 0.000 0.286 178 V C 0.135 176.231 176.094 0.003 0.000 1.034 178 V CA -1.201 61.010 62.300 -0.148 0.000 0.893 178 V CB 1.370 32.870 31.823 -0.537 0.000 0.982 178 V HN 0.635 nan 8.190 nan 0.000 0.452 179 R N 3.862 124.322 120.500 -0.067 0.000 2.401 179 R HA 0.361 4.701 4.340 0.000 0.000 0.299 179 R C -0.426 175.740 176.300 -0.223 0.000 1.064 179 R CA -0.315 55.595 56.100 -0.317 0.000 1.000 179 R CB 0.290 30.369 30.300 -0.369 0.000 0.973 179 R HN 0.623 nan 8.270 nan 0.000 0.438 180 L N 2.145 123.240 121.223 -0.214 0.000 2.479 180 L HA 0.236 4.576 4.340 0.000 0.000 0.248 180 L C 1.493 178.306 176.870 -0.095 0.000 1.205 180 L CA -0.094 54.678 54.840 -0.113 0.000 0.817 180 L CB 0.550 42.568 42.059 -0.068 0.000 1.162 180 L HN 0.803 nan 8.230 nan 0.000 0.486 181 G N 0.219 108.999 108.800 -0.033 0.000 3.455 181 G HA2 0.041 4.001 3.960 0.000 0.000 0.250 181 G HA3 0.041 4.001 3.960 0.000 0.000 0.250 181 G C -0.061 174.818 174.900 -0.036 0.000 1.071 181 G CA -0.406 44.677 45.100 -0.027 0.000 1.812 181 G HN 0.708 nan 8.290 nan 0.000 0.643 182 D N 1.132 121.492 120.400 -0.067 0.000 2.382 182 D HA 0.135 4.776 4.640 0.000 0.000 0.245 182 D C -2.473 173.798 176.300 -0.049 0.000 1.120 182 D CA -1.551 52.414 54.000 -0.058 0.000 0.890 182 D CB 1.883 42.634 40.800 -0.082 0.000 1.201 182 D HN 0.072 nan 8.370 nan 0.000 0.433 183 P HA 0.156 nan 4.420 nan 0.000 0.268 183 P C -0.451 176.829 177.300 -0.033 0.000 1.205 183 P CA -0.415 62.668 63.100 -0.029 0.000 0.771 183 P CB 0.838 32.526 31.700 -0.022 0.000 0.858 184 I N 5.038 125.591 120.570 -0.028 0.000 2.562 184 I HA 0.406 4.576 4.170 0.000 0.000 0.301 184 I C -2.235 173.870 176.117 -0.020 0.000 1.003 184 I CA -3.103 58.181 61.300 -0.027 0.000 1.127 184 I CB 1.254 39.237 38.000 -0.028 0.000 1.304 184 I HN 0.209 nan 8.210 nan 0.000 0.446 185 P HA 0.437 nan 4.420 nan 0.000 0.267 185 P C -1.549 175.744 177.300 -0.011 0.000 1.209 185 P CA -0.157 62.935 63.100 -0.014 0.000 0.763 185 P CB 0.482 32.175 31.700 -0.012 0.000 0.816 186 A N 3.445 126.259 122.820 -0.010 0.000 2.566 186 A HA 0.691 5.011 4.320 0.000 0.000 0.297 186 A C -0.798 176.782 177.584 -0.007 0.000 1.059 186 A CA -0.693 51.339 52.037 -0.008 0.000 0.691 186 A CB 0.973 19.968 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.535 120.031 120.570 -0.006 0.000 2.603 187 I HA 1.008 5.178 4.170 0.000 0.000 0.300 187 I C 0.117 176.232 176.117 -0.004 0.000 1.017 187 I CA -0.868 60.429 61.300 -0.005 0.000 1.098 187 I CB 2.440 40.437 38.000 -0.004 0.000 1.279 187 I HN 0.976 nan 8.210 nan 0.000 0.437 188 G N 3.811 112.609 108.800 -0.003 0.000 2.673 188 G HA2 0.415 4.375 3.960 0.000 0.000 0.292 188 G HA3 0.415 4.375 3.960 0.000 0.000 0.292 188 G C -0.203 174.695 174.900 -0.002 0.000 1.450 188 G CA -0.879 44.219 45.100 -0.003 0.000 0.837 188 G HN 0.727 nan 8.290 nan 0.000 0.505 189 L N -0.351 120.870 121.223 -0.002 0.000 2.201 189 L HA 0.055 4.395 4.340 0.000 0.000 0.212 189 L C 0.825 177.694 176.870 -0.002 0.000 1.105 189 L CA 0.698 55.536 54.840 -0.002 0.000 0.775 189 L CB 0.082 42.139 42.059 -0.002 0.000 0.913 189 L HN 0.380 nan 8.230 nan 0.000 0.440 190 D N -0.295 120.104 120.400 -0.002 0.000 2.295 190 D HA 0.116 4.756 4.640 0.000 0.000 0.248 190 D C -1.531 174.769 176.300 -0.000 0.000 1.154 190 D CA -2.008 51.991 54.000 -0.001 0.000 0.857 190 D CB 1.759 42.558 40.800 -0.001 0.000 1.117 190 D HN -0.170 nan 8.370 nan 0.000 0.468 191 P HA -0.144 nan 4.420 nan 0.000 0.216 191 P C 0.484 177.785 177.300 0.002 0.000 1.154 191 P CA 1.341 64.442 63.100 0.001 0.000 0.865 191 P CB 0.265 31.967 31.700 0.002 0.000 0.789 192 K N -1.407 118.994 120.400 0.002 0.000 2.504 192 K HA 0.126 4.446 4.320 0.000 0.000 0.199 192 K C 0.756 177.357 176.600 0.002 0.000 1.028 192 K CA -0.245 56.044 56.287 0.003 0.000 1.164 192 K CB -0.295 32.208 32.500 0.004 0.000 0.877 192 K HN 0.194 nan 8.250 nan 0.000 0.508 193 M N 1.950 121.551 119.600 0.001 0.000 2.219 193 M HA 0.086 4.566 4.480 0.000 0.000 0.353 193 M C -1.063 175.237 176.300 -0.001 0.000 1.304 193 M CA 0.342 55.641 55.300 -0.000 0.000 1.115 193 M CB 0.699 33.298 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.634 124.548 119.914 -0.001 0.000 2.623 194 V HA 0.729 4.849 4.120 0.000 0.000 0.304 194 V C -0.701 175.390 176.094 -0.005 0.000 1.054 194 V CA -0.837 61.462 62.300 -0.002 0.000 0.882 194 V CB 1.702 33.527 31.823 0.002 0.000 1.002 194 V HN 0.951 nan 8.190 nan 0.000 0.424 195 A N 3.419 126.233 122.820 -0.009 0.000 2.357 195 A HA 0.913 5.233 4.320 0.000 0.000 0.295 195 A C -0.128 177.445 177.584 -0.020 0.000 1.121 195 A CA -0.281 51.748 52.037 -0.014 0.000 0.742 195 A CB 1.503 20.495 19.000 -0.014 0.000 1.181 195 A HN 0.947 nan 8.150 nan 0.000 0.454 196 T N -1.914 112.625 114.554 -0.025 0.000 2.907 196 T HA 0.610 4.960 4.350 0.000 0.000 0.290 196 T C -0.641 174.029 174.700 -0.050 0.000 1.066 196 T CA -0.794 61.286 62.100 -0.035 0.000 1.012 196 T CB 1.463 70.315 68.868 -0.027 0.000 1.184 196 T HN 1.049 nan 8.240 nan 0.000 0.522 197 C N 2.308 121.568 119.300 -0.067 0.000 2.293 197 C HA 0.646 5.106 4.460 0.000 0.000 0.323 197 C C -0.852 174.078 174.990 -0.101 0.000 1.240 197 C CA -0.475 58.492 59.018 -0.085 0.000 1.497 197 C CB -1.034 26.649 27.740 -0.095 0.000 2.171 197 C HN 0.883 nan 8.230 nan 0.000 0.465 198 D N 2.926 123.267 120.400 -0.098 0.000 2.277 198 D HA 0.309 4.949 4.640 0.000 0.000 0.250 198 D C -0.059 176.192 176.300 -0.081 0.000 1.032 198 D CA -0.001 53.950 54.000 -0.081 0.000 0.947 198 D CB 1.575 42.333 40.800 -0.070 0.000 1.159 198 D HN 0.551 nan 8.370 nan 0.000 0.460 199 S N 0.046 115.708 115.700 -0.064 0.000 2.629 199 S HA 0.117 4.587 4.470 0.000 0.000 0.302 199 S C 1.066 175.662 174.600 -0.006 0.000 1.244 199 S CA -0.112 58.044 58.200 -0.074 0.000 1.098 199 S CB 0.138 63.274 63.200 -0.106 0.000 0.858 199 S HN 0.522 nan 8.310 nan 0.000 0.502 200 S N 1.254 116.953 115.700 -0.002 0.000 3.019 200 S HA 0.120 4.590 4.470 0.000 0.000 0.258 200 S C -0.364 174.280 174.600 0.074 0.000 1.082 200 S CA -0.534 57.695 58.200 0.048 0.000 0.836 200 S CB -0.447 62.749 63.200 -0.006 0.000 0.834 200 S HN 0.571 nan 8.310 nan 0.000 0.457 201 D N 3.448 123.884 120.400 0.061 0.000 2.571 201 D HA 0.243 4.883 4.640 0.000 0.000 0.231 201 D C 0.114 176.485 176.300 0.119 0.000 1.133 201 D CA 0.622 54.678 54.000 0.092 0.000 0.862 201 D CB -0.055 40.814 40.800 0.115 0.000 1.179 201 D HN 0.176 nan 8.370 nan 0.000 0.474 202 R N -0.421 120.142 120.500 0.105 0.000 3.125 202 R HA -0.101 4.239 4.340 0.000 0.000 0.258 202 R C -2.485 173.859 176.300 0.074 0.000 0.968 202 R CA -0.034 56.122 56.100 0.093 0.000 0.656 202 R CB -1.843 28.544 30.300 0.145 0.000 1.251 202 R HN 0.453 nan 8.270 nan 0.000 0.428 203 P HA 0.088 nan 4.420 nan 0.000 0.272 203 P C -0.279 177.007 177.300 -0.023 0.000 1.230 203 P CA -0.125 62.997 63.100 0.036 0.000 0.788 203 P CB 0.742 32.471 31.700 0.049 0.000 0.949 204 R N 1.165 121.626 120.500 -0.064 0.000 2.407 204 R HA 0.524 4.864 4.340 0.000 0.000 0.303 204 R C -1.370 174.804 176.300 -0.209 0.000 0.981 204 R CA -0.738 55.265 56.100 -0.161 0.000 0.905 204 R CB 0.908 31.095 30.300 -0.189 0.000 1.099 204 R HN 0.259 nan 8.270 nan 0.000 0.459 205 V N 5.429 125.184 119.914 -0.266 0.000 2.487 205 V HA 0.365 4.485 4.120 0.000 0.000 0.298 205 V C -1.211 174.707 176.094 -0.293 0.000 1.028 205 V CA -0.703 61.477 62.300 -0.199 0.000 0.860 205 V CB 1.475 33.238 31.823 -0.100 0.000 0.991 205 V HN 0.690 nan 8.190 nan 0.000 0.427 206 Y N 1.815 122.094 120.300 -0.035 0.000 2.342 206 Y HA 0.602 5.152 4.550 0.000 0.000 0.334 206 Y C 0.753 176.615 175.900 -0.064 0.000 1.067 206 Y CA -0.518 57.558 58.100 -0.041 0.000 1.128 206 Y CB 2.045 40.487 38.460 -0.030 0.000 1.200 206 Y HN 0.497 nan 8.280 nan 0.000 0.464 207 T N 5.168 119.767 114.554 0.076 0.000 2.786 207 T HA 0.578 4.928 4.350 0.000 0.000 0.283 207 T C -0.582 174.072 174.700 -0.077 0.000 0.992 207 T CA -0.520 61.568 62.100 -0.020 0.000 0.954 207 T CB 0.322 69.169 68.868 -0.036 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.880 123.343 120.570 -0.177 0.000 2.411 208 I HA 0.247 4.417 4.170 0.000 0.000 0.284 208 I C 0.242 176.148 176.117 -0.351 0.000 1.012 208 I CA -0.638 60.464 61.300 -0.331 0.000 1.119 208 I CB 1.728 39.372 38.000 -0.593 0.000 1.261 208 I HN 0.476 nan 8.210 nan 0.000 0.448 209 T N 5.776 120.173 114.554 -0.262 0.000 2.863 209 T HA 0.209 4.559 4.350 0.000 0.000 0.299 209 T C 1.205 175.752 174.700 -0.255 0.000 0.973 209 T CA -0.237 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 2.924 125.559 122.820 -0.309 0.000 2.014 210 A HA 0.562 4.882 4.320 0.000 0.000 0.218 210 A C 1.212 178.761 177.584 -0.058 0.000 1.163 210 A CA 0.587 52.472 52.037 -0.253 0.000 0.652 210 A CB 0.106 19.030 19.000 -0.127 0.000 0.808 210 A HN 0.892 nan 8.150 nan 0.000 0.449 211 A N -0.856 121.939 122.820 -0.042 0.000 2.540 211 A HA 0.542 4.862 4.320 0.000 0.000 0.297 211 A C -2.002 175.600 177.584 0.029 0.000 1.056 211 A CA -0.353 51.711 52.037 0.044 0.000 0.700 211 A CB 1.039 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 2.166 122.610 120.400 0.073 0.000 2.375 212 D HA 0.430 5.070 4.640 0.000 0.000 0.259 212 D C -0.779 175.573 176.300 0.086 0.000 1.235 212 D CA 0.253 54.284 54.000 0.051 0.000 0.924 212 D CB 0.467 41.284 40.800 0.028 0.000 1.143 212 D HN 0.471 nan 8.370 nan 0.000 0.529 213 D N 2.078 122.528 120.400 0.083 0.000 2.686 213 D HA -0.297 4.343 4.640 0.000 0.000 0.235 213 D C -0.494 175.888 176.300 0.136 0.000 1.160 213 D CA 0.580 54.635 54.000 0.093 0.000 0.645 213 D CB -1.795 39.038 40.800 0.054 0.000 1.039 213 D HN 0.453 nan 8.370 nan 0.000 0.423 214 Y N 1.315 121.673 120.300 0.098 0.000 2.537 214 Y HA 0.135 4.685 4.550 0.000 0.000 0.339 214 Y C 0.504 176.494 175.900 0.149 0.000 1.066 214 Y CA -0.098 58.077 58.100 0.125 0.000 1.357 214 Y CB 0.513 39.074 38.460 0.168 0.000 1.175 214 Y HN -0.018 nan 8.280 nan 0.000 0.525 215 Q N 7.375 126.785 119.800 -0.651 0.000 2.288 215 Q HA 0.159 4.499 4.340 0.000 0.000 0.258 215 Q C -1.195 174.200 176.000 -1.009 0.000 0.957 215 Q CA -0.256 55.199 55.803 -0.580 0.000 0.919 215 Q CB 1.474 30.004 28.738 -0.347 0.000 1.185 215 Q HN 0.752 nan 8.270 nan 0.000 0.408 216 F N 1.197 120.602 119.950 -0.907 0.000 2.469 216 F HA 0.512 5.039 4.527 0.000 0.000 0.332 216 F C -0.591 174.845 175.800 -0.606 0.000 1.103 216 F CA -0.520 56.927 58.000 -0.921 0.000 0.979 216 F CB 1.790 39.749 39.000 -1.734 0.000 1.137 216 F HN 0.373 nan 8.300 nan 0.000 0.463 217 S N 4.042 118.976 115.700 -1.278 0.000 2.603 217 S HA 0.667 5.137 4.470 0.000 0.000 0.274 217 S C -1.464 172.591 174.600 -0.908 0.000 1.168 217 S CA -0.387 57.292 58.200 -0.867 0.000 0.963 217 S CB 1.219 64.149 63.200 -0.450 0.000 1.078 217 S HN 0.951 nan 8.310 nan 0.000 0.477 218 S N 2.800 118.116 115.700 -0.640 0.000 2.565 218 S HA 0.402 4.872 4.470 0.000 0.000 0.274 218 S C -1.826 172.701 174.600 -0.122 0.000 1.144 218 S CA -0.617 57.362 58.200 -0.369 0.000 0.849 218 S CB 1.437 64.407 63.200 -0.384 0.000 1.103 218 S HN 0.746 nan 8.310 nan 0.000 0.455 219 Q N 1.587 121.356 119.800 -0.052 0.000 2.354 219 Q HA 0.205 4.545 4.340 0.000 0.000 0.244 219 Q C -0.731 175.328 176.000 0.097 0.000 0.969 219 Q CA -0.211 55.609 55.803 0.028 0.000 0.885 219 Q CB 0.508 29.256 28.738 0.016 0.000 1.241 219 Q HN 0.720 nan 8.270 nan 0.000 0.461 220 Y N 1.810 122.127 120.300 0.028 0.000 2.788 220 Y HA -0.074 4.476 4.550 0.000 0.000 0.341 220 Y C -0.491 175.436 175.900 0.045 0.000 1.258 220 Y CA 0.626 58.755 58.100 0.049 0.000 1.503 220 Y CB 0.469 38.954 38.460 0.041 0.000 1.325 220 Y HN 0.481 nan 8.280 nan 0.000 0.614 221 Q N 6.924 126.219 119.800 -0.841 0.000 2.268 221 Q HA 0.419 4.759 4.340 0.000 0.000 0.266 221 Q C -2.965 172.463 176.000 -0.954 0.000 1.006 221 Q CA -2.545 52.785 55.803 -0.789 0.000 0.824 221 Q CB 2.048 30.623 28.738 -0.272 0.000 1.306 221 Q HN 0.415 nan 8.270 nan 0.000 0.424 222 P HA 0.148 nan 4.420 nan 0.000 0.263 222 P C 0.517 177.735 177.300 -0.137 0.000 1.195 222 P CA 1.348 64.291 63.100 -0.262 0.000 0.762 222 P CB 0.750 32.383 31.700 -0.112 0.000 0.799 223 G N 2.157 110.930 108.800 -0.044 0.000 2.268 223 G HA2 0.008 3.968 3.960 0.000 0.000 0.240 223 G HA3 0.008 3.968 3.960 0.000 0.000 0.240 223 G C 0.463 175.359 174.900 -0.007 0.000 1.010 223 G CA 0.234 45.323 45.100 -0.018 0.000 0.618 223 G HN 1.068 nan 8.290 nan 0.000 0.516 224 G N -2.283 106.498 108.800 -0.031 0.000 2.645 224 G HA2 0.320 4.280 3.960 0.000 0.000 0.645 224 G HA3 0.320 4.280 3.960 0.000 0.000 0.645 224 G C -0.588 174.331 174.900 0.032 0.000 1.304 224 G CA 0.083 45.197 45.100 0.024 0.000 0.885 224 G HN 1.548 nan 8.290 nan 0.000 0.526 225 V N 0.851 120.827 119.914 0.104 0.000 2.407 225 V HA 0.649 4.769 4.120 0.000 0.000 0.291 225 V C 0.424 176.607 176.094 0.149 0.000 1.018 225 V CA -0.223 62.164 62.300 0.146 0.000 0.842 225 V CB 1.572 33.550 31.823 0.258 0.000 0.996 225 V HN 0.999 nan 8.190 nan 0.000 0.426 226 T N 6.876 121.497 114.554 0.112 0.000 2.799 226 T HA 0.727 5.077 4.350 0.000 0.000 0.286 226 T C -0.181 174.595 174.700 0.126 0.000 0.973 226 T CA -0.084 62.075 62.100 0.097 0.000 1.035 226 T CB 0.887 69.793 68.868 0.064 0.000 0.932 226 T HN 0.650 nan 8.240 nan 0.000 0.469 227 I N -0.689 119.962 120.570 0.135 0.000 2.785 227 I HA 0.665 4.835 4.170 0.000 0.000 0.302 227 I C -0.455 175.722 176.117 0.100 0.000 1.069 227 I CA -0.934 60.456 61.300 0.151 0.000 1.045 227 I CB 2.344 40.495 38.000 0.252 0.000 1.236 227 I HN 0.301 nan 8.210 nan 0.000 0.429 228 T N 4.969 119.561 114.554 0.063 0.000 2.832 228 T HA 0.242 4.592 4.350 0.000 0.000 0.313 228 T C 0.731 175.439 174.700 0.014 0.000 1.035 228 T CA -0.272 61.834 62.100 0.010 0.000 0.950 228 T CB 1.062 69.912 68.868 -0.030 0.000 0.984 228 T HN 0.594 nan 8.240 nan 0.000 0.486 229 L N 4.514 125.752 121.223 0.024 0.000 2.046 229 L HA 0.241 4.581 4.340 0.000 0.000 0.208 229 L C 0.212 177.153 176.870 0.118 0.000 1.077 229 L CA 1.756 56.639 54.840 0.072 0.000 0.747 229 L CB -0.278 41.894 42.059 0.189 0.000 0.896 229 L HN 0.710 nan 8.230 nan 0.000 0.432 230 F N -3.278 116.667 119.950 -0.009 0.000 2.713 230 F HA 0.650 5.177 4.527 0.000 0.000 0.311 230 F C -0.725 175.068 175.800 -0.011 0.000 1.141 230 F CA -0.907 57.076 58.000 -0.028 0.000 0.939 230 F CB 0.732 39.705 39.000 -0.045 0.000 1.325 230 F HN -0.304 nan 8.300 nan 0.000 0.453 231 S N 1.173 116.993 115.700 0.200 0.000 2.548 231 S HA 0.896 5.366 4.470 0.000 0.000 0.276 231 S C -1.524 173.199 174.600 0.204 0.000 1.129 231 S CA 0.089 58.346 58.200 0.095 0.000 0.931 231 S CB 1.269 64.470 63.200 0.000 0.000 1.068 231 S HN 1.685 nan 8.310 nan 0.000 0.480 232 A N 3.861 126.784 122.820 0.172 0.000 2.488 232 A HA 0.702 5.022 4.320 0.000 0.000 0.298 232 A C -1.189 176.381 177.584 -0.023 0.000 1.044 232 A CA -0.888 51.197 52.037 0.078 0.000 0.693 232 A CB 1.059 20.104 19.000 0.076 0.000 1.272 232 A HN 0.716 nan 8.150 nan 0.000 0.402 233 N N 1.484 120.153 118.700 -0.052 0.000 2.442 233 N HA 0.521 5.261 4.740 0.000 0.000 0.265 233 N C -0.207 175.170 175.510 -0.222 0.000 1.138 233 N CA 0.286 53.289 53.050 -0.078 0.000 0.956 233 N CB 0.496 38.972 38.487 -0.019 0.000 1.067 233 N HN 0.745 nan 8.380 nan 0.000 0.474 234 I N -2.153 118.261 120.570 -0.259 0.000 3.264 234 I HA 0.615 4.785 4.170 0.000 0.000 0.315 234 I C -1.048 175.016 176.117 -0.088 0.000 1.154 234 I CA -0.964 60.039 61.300 -0.496 0.000 0.962 234 I CB 2.666 40.203 38.000 -0.772 0.000 1.265 234 I HN 0.027 nan 8.210 nan 0.000 0.463 235 D N 2.076 122.533 120.400 0.096 0.000 2.646 235 D HA 0.719 5.359 4.640 0.000 0.000 0.245 235 D C -1.169 175.215 176.300 0.140 0.000 1.099 235 D CA -0.224 53.863 54.000 0.144 0.000 0.849 235 D CB 2.395 43.312 40.800 0.193 0.000 1.448 235 D HN 0.902 nan 8.370 nan 0.000 0.489 236 A N 2.009 124.877 122.820 0.079 0.000 2.517 236 A HA 0.530 4.850 4.320 0.000 0.000 0.297 236 A C -0.193 177.394 177.584 0.004 0.000 1.050 236 A CA -0.516 51.553 52.037 0.054 0.000 0.694 236 A CB 0.924 19.956 19.000 0.053 0.000 1.277 236 A HN 0.553 nan 8.150 nan 0.000 0.400 237 I N 0.523 121.080 120.570 -0.022 0.000 4.124 237 I HA 0.118 4.288 4.170 0.000 0.000 0.311 237 I C 1.261 177.367 176.117 -0.019 0.000 1.259 237 I CA 1.072 62.319 61.300 -0.088 0.000 1.315 237 I CB 0.667 38.517 38.000 -0.249 0.000 1.223 237 I HN 0.792 nan 8.210 nan 0.000 0.441 238 T N -1.465 113.116 114.554 0.045 0.000 2.762 238 T HA 0.410 4.760 4.350 0.000 0.000 0.272 238 T C 0.317 175.068 174.700 0.085 0.000 0.982 238 T CA -0.492 61.653 62.100 0.076 0.000 1.013 238 T CB 1.163 70.105 68.868 0.124 0.000 1.309 238 T HN 0.124 nan 8.240 nan 0.000 0.572 239 S N 0.623 116.390 115.700 0.113 0.000 2.558 239 S HA 0.368 4.838 4.470 0.000 0.000 0.291 239 S C 0.044 174.755 174.600 0.186 0.000 1.306 239 S CA -0.424 57.871 58.200 0.158 0.000 1.056 239 S CB -0.982 62.330 63.200 0.188 0.000 0.836 239 S HN 1.191 nan 8.310 nan 0.000 0.504 240 L N -0.518 120.776 121.223 0.119 0.000 2.491 240 L HA 0.950 5.290 4.340 0.000 0.000 0.254 240 L C -0.652 176.225 176.870 0.012 0.000 1.048 240 L CA -1.007 53.803 54.840 -0.051 0.000 0.855 240 L CB 1.866 43.911 42.059 -0.024 0.000 1.466 240 L HN 0.854 nan 8.230 nan 0.000 0.409 241 S N -0.200 115.463 115.700 -0.062 0.000 2.569 241 S HA 0.888 5.359 4.470 0.000 0.000 0.280 241 S C -1.076 173.550 174.600 0.043 0.000 1.111 241 S CA -0.687 57.542 58.200 0.048 0.000 0.887 241 S CB 1.981 65.256 63.200 0.124 0.000 1.095 241 S HN 0.662 nan 8.310 nan 0.000 0.476 242 V N 1.482 121.449 119.914 0.088 0.000 2.487 242 V HA 0.844 4.964 4.120 0.000 0.000 0.298 242 V C 0.690 176.867 176.094 0.139 0.000 1.028 242 V CA 0.002 62.366 62.300 0.107 0.000 0.860 242 V CB 1.206 33.126 31.823 0.161 0.000 0.991 242 V HN 1.249 nan 8.190 nan 0.000 0.427 243 G N 1.785 110.640 108.800 0.092 0.000 2.714 243 G HA2 0.908 4.868 3.960 0.000 0.000 0.292 243 G HA3 0.908 4.868 3.960 0.000 0.000 0.292 243 G C -0.147 174.788 174.900 0.057 0.000 1.308 243 G CA -0.223 44.941 45.100 0.106 0.000 0.964 243 G HN 1.491 nan 8.290 nan 0.000 0.484 244 G N -1.143 107.707 108.800 0.084 0.000 2.373 244 G HA2 0.350 4.310 3.960 0.000 0.000 0.634 244 G HA3 0.350 4.310 3.960 0.000 0.000 0.634 244 G C -0.983 174.004 174.900 0.144 0.000 1.267 244 G CA 0.063 45.183 45.100 0.032 0.000 1.008 244 G HN 0.936 nan 8.290 nan 0.000 0.497 245 E N -1.161 119.090 120.200 0.086 0.000 2.354 245 E HA 0.550 4.900 4.350 0.000 0.000 0.283 245 E C -0.959 175.699 176.600 0.096 0.000 0.938 245 E CA -0.767 55.744 56.400 0.185 0.000 0.777 245 E CB 1.574 31.341 29.700 0.111 0.000 1.222 245 E HN 0.604 nan 8.360 nan 0.000 0.423 246 L N 2.949 124.282 121.223 0.183 0.000 2.325 246 L HA 0.634 4.975 4.340 0.000 0.000 0.278 246 L C -0.665 176.149 176.870 -0.094 0.000 1.023 246 L CA -1.113 53.710 54.840 -0.029 0.000 0.811 246 L CB 1.790 43.828 42.059 -0.035 0.000 1.249 246 L HN 0.298 nan 8.230 nan 0.000 0.431 247 V N 2.581 122.336 119.914 -0.264 0.000 2.448 247 V HA 0.444 4.564 4.120 0.000 0.000 0.295 247 V C -0.692 175.201 176.094 -0.335 0.000 1.025 247 V CA -0.442 61.766 62.300 -0.154 0.000 0.859 247 V CB 1.622 33.409 31.823 -0.060 0.000 0.988 247 V HN 0.370 nan 8.190 nan 0.000 0.431 248 F N 4.329 124.266 119.950 -0.022 0.000 2.469 248 F HA 0.715 5.242 4.527 0.000 0.000 0.332 248 F C 0.558 176.377 175.800 0.031 0.000 1.103 248 F CA -0.687 57.298 58.000 -0.025 0.000 0.979 248 F CB 1.686 40.572 39.000 -0.190 0.000 1.137 248 F HN 0.253 nan 8.300 nan 0.000 0.463 249 R N 1.146 121.803 120.500 0.262 0.000 2.803 249 R HA 0.759 5.099 4.340 0.000 0.000 0.276 249 R C -0.824 175.615 176.300 0.232 0.000 0.978 249 R CA -0.805 55.408 56.100 0.189 0.000 0.939 249 R CB 2.154 32.532 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.038 113.605 114.554 0.148 0.000 2.885 250 T HA 0.229 4.579 4.350 0.000 0.000 0.322 250 T C -0.002 174.714 174.700 0.027 0.000 1.387 250 T CA -0.403 61.776 62.100 0.132 0.000 1.041 250 T CB 1.435 70.409 68.868 0.177 0.000 1.287 250 T HN 0.451 nan 8.240 nan 0.000 0.491 251 S N 0.934 116.638 115.700 0.007 0.000 2.511 251 S HA 0.243 4.713 4.470 0.000 0.000 0.214 251 S C 0.402 174.918 174.600 -0.140 0.000 0.997 251 S CA -0.123 58.041 58.200 -0.059 0.000 0.908 251 S CB 0.363 63.554 63.200 -0.016 0.000 0.803 251 S HN 0.593 nan 8.310 nan 0.000 0.504 252 V N 3.812 123.678 119.914 -0.080 0.000 2.439 252 V HA 0.295 4.415 4.120 0.000 0.000 0.282 252 V C 0.031 176.060 176.094 -0.108 0.000 1.039 252 V CA -0.826 61.441 62.300 -0.054 0.000 0.913 252 V CB 0.632 32.484 31.823 0.049 0.000 0.983 252 V HN 0.413 nan 8.190 nan 0.000 0.460 253 H N 2.842 121.937 119.070 0.041 0.000 2.562 253 H HA 0.346 4.902 4.556 0.000 0.000 0.352 253 H C 1.265 176.608 175.328 0.024 0.000 1.125 253 H CA 0.831 56.897 56.048 0.030 0.000 1.379 253 H CB 1.384 31.155 29.762 0.016 0.000 1.464 253 H HN 1.015 nan 8.280 nan 0.000 0.563 254 G N 2.650 111.534 108.800 0.140 0.000 2.176 254 G HA2 -0.239 3.721 3.960 0.000 0.000 0.252 254 G HA3 -0.239 3.721 3.960 0.000 0.000 0.252 254 G C 0.077 175.012 174.900 0.058 0.000 1.024 254 G CA -0.160 44.987 45.100 0.078 0.000 0.755 254 G HN 0.462 nan 8.290 nan 0.000 0.507 255 L N -0.030 121.230 121.223 0.062 0.000 2.326 255 L HA 0.578 4.918 4.340 0.000 0.000 0.278 255 L C 0.466 177.342 176.870 0.011 0.000 1.092 255 L CA -0.819 54.062 54.840 0.067 0.000 0.810 255 L CB 1.573 43.702 42.059 0.115 0.000 1.153 255 L HN -0.042 nan 8.230 nan 0.000 0.439 256 V N 4.960 124.877 119.914 0.004 0.000 2.487 256 V HA 0.430 4.550 4.120 0.000 0.000 0.298 256 V C 0.012 176.047 176.094 -0.097 0.000 1.028 256 V CA -0.485 61.787 62.300 -0.047 0.000 0.860 256 V CB 2.129 33.942 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.960 125.065 121.223 -0.197 0.000 2.317 257 L HA 0.808 5.148 4.340 0.000 0.000 0.281 257 L C 0.583 177.317 176.870 -0.227 0.000 1.024 257 L CA -0.322 54.341 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 1.758 110.449 108.800 -0.181 0.000 2.452 258 G HA2 0.771 4.731 3.960 0.000 0.000 0.324 258 G HA3 0.771 4.731 3.960 0.000 0.000 0.324 258 G C -1.388 173.427 174.900 -0.141 0.000 1.214 258 G CA -0.390 44.627 45.100 -0.139 0.000 0.947 258 G HN 0.735 nan 8.290 nan 0.000 0.478 259 A N 1.145 123.883 122.820 -0.136 0.000 2.488 259 A HA 0.867 5.187 4.320 0.000 0.000 0.298 259 A C -0.457 177.051 177.584 -0.127 0.000 1.044 259 A CA -0.572 51.402 52.037 -0.105 0.000 0.693 259 A CB 1.860 20.800 19.000 -0.100 0.000 1.272 259 A HN 0.789 nan 8.150 nan 0.000 0.402 260 T N 2.419 116.906 114.554 -0.111 0.000 2.886 260 T HA 0.555 4.905 4.350 0.000 0.000 0.292 260 T C -0.590 173.948 174.700 -0.271 0.000 1.012 260 T CA -0.235 61.714 62.100 -0.252 0.000 0.982 260 T CB 1.129 69.769 68.868 -0.380 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 2.997 123.392 120.570 -0.291 0.000 2.359 261 I HA 0.406 4.576 4.170 0.000 0.000 0.294 261 I C -1.078 174.832 176.117 -0.345 0.000 0.987 261 I CA -0.796 60.396 61.300 -0.180 0.000 1.225 261 I CB 1.097 39.109 38.000 0.020 0.000 1.366 261 I HN 0.631 nan 8.210 nan 0.000 0.466 262 Y N 6.240 126.516 120.300 -0.040 0.000 2.364 262 Y HA 0.493 5.043 4.550 0.000 0.000 0.340 262 Y C -0.301 175.579 175.900 -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 39.979 38.460 -0.051 0.000 1.192 262 Y HN 0.295 nan 8.280 nan 0.000 0.454 263 L N 5.269 126.561 121.223 0.114 0.000 2.287 263 L HA 0.463 4.803 4.340 0.000 0.000 0.287 263 L C -0.818 176.088 176.870 0.060 0.000 1.022 263 L CA -0.584 54.295 54.840 0.065 0.000 0.814 263 L CB 0.716 42.798 42.059 0.038 0.000 1.217 263 L HN 0.478 nan 8.230 nan 0.000 0.420 264 I N 2.391 122.984 120.570 0.038 0.000 2.392 264 I HA 0.408 4.578 4.170 0.000 0.000 0.295 264 I C 0.899 177.027 176.117 0.018 0.000 0.985 264 I CA -0.222 61.090 61.300 0.019 0.000 1.221 264 I CB 1.430 39.425 38.000 -0.009 0.000 1.366 264 I HN 0.554 nan 8.210 nan 0.000 0.467 265 G N 3.289 112.100 108.800 0.019 0.000 2.562 265 G HA2 0.184 4.144 3.960 0.000 0.000 0.275 265 G HA3 0.184 4.144 3.960 0.000 0.000 0.275 265 G C 0.442 175.389 174.900 0.078 0.000 1.196 265 G CA -0.343 44.786 45.100 0.050 0.000 0.908 265 G HN 0.590 nan 8.290 nan 0.000 0.524 266 F N 0.675 120.606 119.950 -0.033 0.000 2.236 266 F HA -0.161 4.366 4.527 0.000 0.000 0.302 266 F C 2.159 177.870 175.800 -0.147 0.000 1.073 266 F CA 2.018 59.926 58.000 -0.153 0.000 1.336 266 F CB 0.241 39.027 39.000 -0.357 0.000 1.040 266 F HN 0.436 nan 8.300 nan 0.000 0.507 267 D N -1.027 119.362 120.400 -0.018 0.000 2.319 267 D HA 0.153 4.793 4.640 0.000 0.000 0.230 267 D C 1.784 178.055 176.300 -0.049 0.000 1.094 267 D CA 0.678 54.663 54.000 -0.026 0.000 0.856 267 D CB -0.592 40.358 40.800 0.250 0.000 0.915 267 D HN 0.398 nan 8.370 nan 0.000 0.517 268 G N -0.613 108.136 108.800 -0.084 0.000 2.184 268 G HA2 -0.279 3.681 3.960 0.000 0.000 0.264 268 G HA3 -0.279 3.681 3.960 0.000 0.000 0.264 268 G C 0.474 175.351 174.900 -0.039 0.000 0.975 268 G CA 0.491 45.547 45.100 -0.074 0.000 0.642 268 G HN 0.512 nan 8.290 nan 0.000 0.536 269 T N 1.697 116.250 114.554 -0.002 0.000 2.910 269 T HA 0.504 4.854 4.350 0.000 0.000 0.293 269 T C 0.714 175.419 174.700 0.009 0.000 1.015 269 T CA 0.628 62.736 62.100 0.012 0.000 1.094 269 T CB 0.834 69.732 68.868 0.050 0.000 0.968 269 T HN 0.198 nan 8.240 nan 0.000 0.521 270 T N 3.630 118.192 114.554 0.014 0.000 2.769 270 T HA 0.147 4.497 4.350 0.000 0.000 0.293 270 T C 1.468 176.195 174.700 0.044 0.000 0.931 270 T CA -0.472 61.656 62.100 0.047 0.000 1.139 270 T CB 0.687 69.607 68.868 0.088 0.000 0.881 270 T HN 0.364 nan 8.240 nan 0.000 0.532 271 V N 4.114 124.049 119.914 0.035 0.000 2.426 271 V HA 0.266 4.386 4.120 0.000 0.000 0.242 271 V C 0.715 176.823 176.094 0.023 0.000 1.036 271 V CA 0.919 63.224 62.300 0.009 0.000 1.044 271 V CB -0.032 31.781 31.823 -0.018 0.000 0.688 271 V HN 0.723 nan 8.190 nan 0.000 0.462 272 I N -0.368 120.226 120.570 0.039 0.000 2.619 272 I HA 0.433 4.603 4.170 0.000 0.000 0.292 272 I C -0.578 175.555 176.117 0.026 0.000 1.100 272 I CA -0.062 61.253 61.300 0.025 0.000 1.043 272 I CB 2.437 40.444 38.000 0.012 0.000 1.239 272 I HN 0.048 nan 8.210 nan 0.000 0.420 273 T N 5.695 120.238 114.554 -0.019 0.000 2.840 273 T HA 0.576 4.926 4.350 0.000 0.000 0.287 273 T C -1.000 173.598 174.700 -0.170 0.000 0.991 273 T CA -0.669 61.347 62.100 -0.141 0.000 0.964 273 T CB 0.694 69.522 68.868 -0.066 0.000 0.954 273 T HN 0.417 nan 8.240 nan 0.000 0.438 274 R N 3.318 123.675 120.500 -0.237 0.000 2.483 274 R HA 0.600 4.940 4.340 0.000 0.000 0.303 274 R C -0.279 175.896 176.300 -0.209 0.000 0.987 274 R CA -0.689 55.310 56.100 -0.168 0.000 0.881 274 R CB 1.541 31.782 30.300 -0.099 0.000 1.177 274 R HN 0.848 nan 8.270 nan 0.000 0.451 275 A N 2.783 125.497 122.820 -0.176 0.000 2.491 275 A HA 0.190 4.510 4.320 0.000 0.000 0.261 275 A C 1.081 178.560 177.584 -0.176 0.000 1.101 275 A CA -0.188 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 0.526 nan 8.150 nan 0.000 0.501 276 V N 1.982 121.762 119.914 -0.223 0.000 2.949 276 V HA 0.353 4.473 4.120 0.000 0.000 0.245 276 V C 1.105 177.013 176.094 -0.310 0.000 1.086 276 V CA 1.692 63.797 62.300 -0.325 0.000 1.097 276 V CB -0.136 31.365 31.823 -0.536 0.000 0.762 276 V HN 1.190 nan 8.190 nan 0.000 0.470 277 A N -0.264 122.410 122.820 -0.243 0.000 2.485 277 A HA 0.819 5.139 4.320 0.000 0.000 0.285 277 A C -0.714 176.774 177.584 -0.161 0.000 1.045 277 A CA 0.209 52.128 52.037 -0.198 0.000 0.792 277 A CB 1.051 19.921 19.000 -0.217 0.000 1.307 277 A HN 0.411 nan 8.150 nan 0.000 0.406 278 A N 2.264 125.008 122.820 -0.126 0.000 2.337 278 A HA 0.790 5.110 4.320 0.000 0.000 0.331 278 A C 0.343 177.872 177.584 -0.091 0.000 1.137 278 A CA -0.119 51.857 52.037 -0.101 0.000 0.807 278 A CB 0.317 19.269 19.000 -0.080 0.000 1.250 278 A HN 2.298 nan 8.150 nan 0.000 0.468 279 N N 1.003 119.655 118.700 -0.079 0.000 2.609 279 N HA -0.226 4.514 4.740 0.000 0.000 0.304 279 N C -0.900 174.563 175.510 -0.079 0.000 1.284 279 N CA 1.037 54.047 53.050 -0.067 0.000 0.702 279 N CB -0.373 38.087 38.487 -0.044 0.000 1.002 279 N HN 0.775 nan 8.380 nan 0.000 0.535 280 N N 2.523 121.164 118.700 -0.100 0.000 2.621 280 N HA 0.309 5.049 4.740 0.000 0.000 0.271 280 N C -0.376 175.065 175.510 -0.114 0.000 1.181 280 N CA 0.146 53.128 53.050 -0.114 0.000 0.805 280 N CB 1.010 39.401 38.487 -0.160 0.000 1.351 280 N HN 0.581 nan 8.380 nan 0.000 0.539 281 G N 2.357 111.115 108.800 -0.070 0.000 2.398 281 G HA2 0.366 4.326 3.960 0.000 0.000 0.246 281 G HA3 0.366 4.326 3.960 0.000 0.000 0.246 281 G C -0.023 174.845 174.900 -0.054 0.000 1.289 281 G CA -0.116 44.955 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.905 123.101 121.223 -0.044 0.000 2.295 282 L HA 0.348 4.688 4.340 0.000 0.000 0.285 282 L C 0.432 177.307 176.870 0.009 0.000 1.035 282 L CA -0.701 54.122 54.840 -0.029 0.000 0.806 282 L CB 1.737 43.772 42.059 -0.039 0.000 1.214 282 L HN 0.392 nan 8.230 nan 0.000 0.426 283 T N 0.685 115.250 114.554 0.018 0.000 2.882 283 T HA 0.221 4.571 4.350 0.000 0.000 0.287 283 T C 0.324 175.032 174.700 0.013 0.000 0.992 283 T CA -0.459 61.659 62.100 0.031 0.000 1.076 283 T CB 1.265 70.155 68.868 0.036 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.274 116.818 114.554 -0.017 0.000 2.919 284 T HA 0.420 4.770 4.350 0.000 0.000 0.302 284 T C 1.440 176.138 174.700 -0.005 0.000 1.031 284 T CA 0.691 62.747 62.100 -0.074 0.000 1.127 284 T CB 0.448 69.172 68.868 -0.240 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.834 111.635 108.800 0.001 0.000 2.203 285 G HA2 -0.232 3.728 3.960 0.000 0.000 0.263 285 G HA3 -0.232 3.728 3.960 0.000 0.000 0.263 285 G C 0.201 175.119 174.900 0.030 0.000 1.012 285 G CA 0.382 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 -0.222 114.353 114.554 0.036 0.000 2.883 286 T HA 0.488 4.838 4.350 0.000 0.000 0.301 286 T C -0.892 173.838 174.700 0.050 0.000 1.158 286 T CA -0.846 61.277 62.100 0.039 0.000 1.007 286 T CB 1.874 70.763 68.868 0.036 0.000 1.186 286 T HN 0.072 nan 8.240 nan 0.000 0.499 287 D N 2.216 122.644 120.400 0.046 0.000 2.425 287 D HA 0.173 4.813 4.640 0.000 0.000 0.247 287 D C -0.314 176.024 176.300 0.063 0.000 1.147 287 D CA 0.308 54.341 54.000 0.054 0.000 0.879 287 D CB 0.347 41.170 40.800 0.040 0.000 1.179 287 D HN 0.379 nan 8.370 nan 0.000 0.456 288 N N 1.697 120.454 118.700 0.095 0.000 2.476 288 N HA 0.281 5.021 4.740 0.000 0.000 0.257 288 N C -0.595 174.999 175.510 0.140 0.000 0.970 288 N CA -0.478 52.631 53.050 0.099 0.000 0.938 288 N CB 1.281 39.824 38.487 0.093 0.000 1.144 288 N HN 0.163 nan 8.380 nan 0.000 0.500 289 L N 1.731 123.008 121.223 0.090 0.000 2.326 289 L HA 0.458 4.798 4.340 0.000 0.000 0.278 289 L C 0.107 177.039 176.870 0.103 0.000 1.092 289 L CA -0.169 54.727 54.840 0.095 0.000 0.810 289 L CB 0.902 42.995 42.059 0.058 0.000 1.153 289 L HN 0.465 nan 8.230 nan 0.000 0.439 290 M N 5.602 125.293 119.600 0.152 0.000 1.987 290 M HA 0.397 4.877 4.480 0.000 0.000 0.298 290 M C -2.616 173.756 176.300 0.120 0.000 0.892 290 M CA -1.610 53.755 55.300 0.110 0.000 0.885 290 M CB 1.595 34.332 32.600 0.229 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 -1.355 175.952 177.300 0.011 0.000 1.244 291 P CA -0.038 63.126 63.100 0.108 0.000 0.801 291 P CB 0.506 32.234 31.700 0.046 0.000 1.006 292 F N 1.312 121.277 119.950 0.024 0.000 2.427 292 F HA 0.371 4.898 4.527 0.000 0.000 0.348 292 F C 0.772 176.584 175.800 0.021 0.000 1.125 292 F CA -0.142 57.873 58.000 0.024 0.000 0.989 292 F CB 0.981 40.003 39.000 0.037 0.000 1.165 292 F HN 0.127 nan 8.300 nan 0.000 0.442 293 N N 5.343 124.104 118.700 0.101 0.000 2.679 293 N HA 0.248 4.988 4.740 0.000 0.000 0.302 293 N C -1.122 174.425 175.510 0.062 0.000 1.941 293 N CA -0.053 53.042 53.050 0.075 0.000 0.875 293 N CB 1.123 39.630 38.487 0.033 0.000 1.278 293 N HN 0.436 nan 8.380 nan 0.000 0.490 294 L N 0.920 122.201 121.223 0.096 0.000 2.289 294 L HA 0.542 4.882 4.340 0.000 0.000 0.285 294 L C -0.038 176.880 176.870 0.080 0.000 1.049 294 L CA -0.784 54.100 54.840 0.074 0.000 0.804 294 L CB 1.740 43.855 42.059 0.093 0.000 1.195 294 L HN -0.204 nan 8.230 nan 0.000 0.428 295 V N 4.822 124.774 119.914 0.064 0.000 2.444 295 V HA 0.393 4.513 4.120 0.000 0.000 0.294 295 V C -0.258 175.875 176.094 0.064 0.000 1.022 295 V CA -0.377 61.972 62.300 0.081 0.000 0.850 295 V CB 2.121 33.989 31.823 0.075 0.000 0.992 295 V HN 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.532 129.147 120.570 0.075 0.000 2.328 296 I HA 0.422 4.592 4.170 0.000 0.000 0.287 296 I C -2.124 174.033 176.117 0.066 0.000 1.012 296 I CA -1.871 59.463 61.300 0.056 0.000 1.195 296 I CB 1.947 39.974 38.000 0.047 0.000 1.350 296 I HN 0.438 nan 8.210 nan 0.000 0.464 297 P HA 0.140 nan 4.420 nan 0.000 0.274 297 P C 0.641 177.966 177.300 0.041 0.000 1.231 297 P CA -0.231 62.896 63.100 0.045 0.000 0.790 297 P CB 0.808 32.524 31.700 0.027 0.000 0.951 298 T N 1.050 115.630 114.554 0.044 0.000 2.653 298 T HA -0.198 4.152 4.350 0.000 0.000 0.268 298 T C 1.611 176.326 174.700 0.025 0.000 1.035 298 T CA 2.116 64.239 62.100 0.038 0.000 1.154 298 T CB -0.917 67.976 68.868 0.042 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.373 120.087 118.700 0.023 0.000 2.443 299 N HA -0.155 4.585 4.740 0.000 0.000 0.184 299 N C 1.395 176.915 175.510 0.016 0.000 1.037 299 N CA 1.011 54.073 53.050 0.020 0.000 0.896 299 N CB -0.215 38.283 38.487 0.019 0.000 0.959 299 N HN 0.510 nan 8.380 nan 0.000 0.442 300 E N 0.189 120.398 120.200 0.015 0.000 2.371 300 E HA 0.154 4.504 4.350 0.000 0.000 0.194 300 E C 0.174 176.776 176.600 0.002 0.000 1.012 300 E CA 0.089 56.496 56.400 0.011 0.000 0.860 300 E CB 0.208 29.915 29.700 0.012 0.000 0.811 300 E HN 0.440 nan 8.360 nan 0.000 0.502 301 I N 2.363 122.932 120.570 -0.001 0.000 2.260 301 I HA -0.024 4.146 4.170 0.000 0.000 0.297 301 I C 1.403 177.492 176.117 -0.046 0.000 1.143 301 I CA -0.057 61.231 61.300 -0.021 0.000 1.271 301 I CB 0.706 38.698 38.000 -0.013 0.000 1.461 301 I HN 0.035 nan 8.210 nan 0.000 0.530 302 T N 1.605 116.118 114.554 -0.068 0.000 3.055 302 T HA -0.006 4.344 4.350 0.000 0.000 0.265 302 T C 0.524 175.066 174.700 -0.264 0.000 1.111 302 T CA 0.301 62.351 62.100 -0.082 0.000 1.118 302 T CB -0.077 68.770 68.868 -0.036 0.000 0.909 302 T HN 0.693 nan 8.240 nan 0.000 0.501 303 Q N -0.586 118.997 119.800 -0.362 0.000 2.522 303 Q HA 0.549 4.889 4.340 0.000 0.000 0.285 303 Q C -3.481 172.393 176.000 -0.211 0.000 0.982 303 Q CA -2.565 52.895 55.803 -0.571 0.000 0.805 303 Q CB 0.811 28.731 28.738 -1.363 0.000 1.457 303 Q HN -0.121 nan 8.270 nan 0.000 0.394 304 P HA -0.021 nan 4.420 nan 0.000 0.261 304 P C -0.588 176.742 177.300 0.050 0.000 1.173 304 P CA 0.224 63.348 63.100 0.041 0.000 0.760 304 P CB 0.249 32.063 31.700 0.190 0.000 0.783 305 I N 3.142 123.733 120.570 0.035 0.000 2.474 305 I HA 0.075 4.245 4.170 0.000 0.000 0.287 305 I C 1.530 177.686 176.117 0.064 0.000 1.048 305 I CA 0.675 61.998 61.300 0.039 0.000 1.383 305 I CB 0.416 38.431 38.000 0.024 0.000 1.412 305 I HN 0.350 nan 8.210 nan 0.000 0.531 306 T N 3.267 117.858 114.554 0.062 0.000 2.954 306 T HA 0.129 4.479 4.350 0.000 0.000 0.252 306 T C 0.439 175.147 174.700 0.014 0.000 0.983 306 T CA 0.286 62.429 62.100 0.072 0.000 0.941 306 T CB 0.361 69.308 68.868 0.131 0.000 1.141 306 T HN 0.806 nan 8.240 nan 0.000 0.500 307 S N 0.108 115.805 115.700 -0.005 0.000 2.588 307 S HA 0.722 5.192 4.470 0.000 0.000 0.269 307 S C -1.489 173.103 174.600 -0.013 0.000 1.157 307 S CA -0.942 57.242 58.200 -0.026 0.000 0.824 307 S CB 1.850 65.037 63.200 -0.022 0.000 1.126 307 S HN 0.273 nan 8.310 nan 0.000 0.464 308 I N 1.210 121.777 120.570 -0.004 0.000 2.545 308 I HA 0.711 4.881 4.170 0.000 0.000 0.292 308 I C -1.338 174.767 176.117 -0.019 0.000 1.040 308 I CA -0.702 60.610 61.300 0.021 0.000 1.068 308 I CB 1.748 39.782 38.000 0.056 0.000 1.251 308 I HN 1.017 nan 8.210 nan 0.000 0.424 309 K N 6.356 126.708 120.400 -0.080 0.000 2.477 309 K HA 0.661 4.981 4.320 0.000 0.000 0.255 309 K C -2.026 174.398 176.600 -0.294 0.000 0.952 309 K CA -0.966 55.150 56.287 -0.285 0.000 0.826 309 K CB 2.441 34.845 32.500 -0.160 0.000 1.331 309 K HN 0.467 nan 8.250 nan 0.000 0.437 310 L N 1.094 121.961 121.223 -0.593 0.000 2.349 310 L HA 0.438 4.778 4.340 0.000 0.000 0.278 310 L C -1.187 175.619 176.870 -0.107 0.000 0.996 310 L CA -0.004 54.659 54.840 -0.296 0.000 0.825 310 L CB 1.774 43.615 42.059 -0.363 0.000 1.243 310 L HN 0.778 nan 8.230 nan 0.000 0.412 311 E N 5.134 125.374 120.200 0.067 0.000 2.214 311 E HA 0.574 4.924 4.350 0.000 0.000 0.274 311 E C -1.140 175.505 176.600 0.076 0.000 0.977 311 E CA -0.615 55.845 56.400 0.100 0.000 0.827 311 E CB 2.330 32.154 29.700 0.208 0.000 1.130 311 E HN 0.541 nan 8.360 nan 0.000 0.394 312 I N 2.253 122.869 120.570 0.077 0.000 2.466 312 I HA 0.261 4.431 4.170 0.000 0.000 0.289 312 I C -0.787 175.342 176.117 0.021 0.000 1.026 312 I CA -1.004 60.313 61.300 0.029 0.000 1.078 312 I CB 1.906 39.935 38.000 0.049 0.000 1.249 312 I HN 0.171 nan 8.210 nan 0.000 0.429 313 V N 4.196 124.097 119.914 -0.022 0.000 2.427 313 V HA 0.496 4.616 4.120 0.000 0.000 0.286 313 V C 0.021 176.101 176.094 -0.024 0.000 1.034 313 V CA -0.404 61.896 62.300 -0.000 0.000 0.893 313 V CB 1.498 33.323 31.823 0.003 0.000 0.982 313 V HN 0.731 nan 8.190 nan 0.000 0.452 314 T N 3.656 118.235 114.554 0.042 0.000 2.809 314 T HA 0.658 5.008 4.350 0.000 0.000 0.284 314 T C -0.141 174.647 174.700 0.147 0.000 0.992 314 T CA -0.520 61.639 62.100 0.098 0.000 0.957 314 T CB 1.401 70.390 68.868 0.201 0.000 0.942 314 T HN 0.934 nan 8.240 nan 0.000 0.439 315 S N 2.613 118.391 115.700 0.131 0.000 2.627 315 S HA 0.783 5.253 4.470 0.000 0.000 0.283 315 S C -1.219 173.489 174.600 0.180 0.000 1.127 315 S CA -1.126 57.183 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 0.559 nan 8.310 nan 0.000 0.479 316 K N 0.174 120.712 120.400 0.229 0.000 2.316 316 K HA 0.566 4.886 4.320 0.000 0.000 0.251 316 K C 0.663 177.284 176.600 0.036 0.000 0.934 316 K CA -0.661 55.682 56.287 0.094 0.000 0.802 316 K CB 1.831 34.332 32.500 0.002 0.000 1.171 316 K HN 0.642 nan 8.250 nan 0.000 0.426 317 S N 1.248 116.952 115.700 0.007 0.000 2.354 317 S HA -0.165 4.305 4.470 0.000 0.000 0.219 317 S C 1.525 176.096 174.600 -0.049 0.000 1.035 317 S CA 1.615 59.812 58.200 -0.005 0.000 1.037 317 S CB -0.359 62.840 63.200 -0.002 0.000 0.956 317 S HN 0.890 nan 8.310 nan 0.000 0.428 318 G N 0.544 109.286 108.800 -0.097 0.000 2.707 318 G HA2 0.376 4.336 3.960 0.000 0.000 0.204 318 G HA3 0.376 4.336 3.960 0.000 0.000 0.204 318 G C 0.581 175.303 174.900 -0.298 0.000 1.435 318 G CA 0.425 45.440 45.100 -0.142 0.000 0.890 318 G HN 1.298 nan 8.290 nan 0.000 0.552 319 G N -2.381 106.116 108.800 -0.506 0.000 2.788 319 G HA2 0.291 4.251 3.960 0.000 0.000 0.686 319 G HA3 0.291 4.251 3.960 0.000 0.000 0.686 319 G C -0.755 173.853 174.900 -0.487 0.000 1.147 319 G CA 0.169 44.587 45.100 -1.136 0.000 0.755 319 G HN 0.718 nan 8.290 nan 0.000 0.634 320 Q N -0.488 119.143 119.800 -0.281 0.000 2.870 320 Q HA 0.795 5.135 4.340 0.000 0.000 0.366 320 Q C 1.500 177.623 176.000 0.204 0.000 0.738 320 Q CA 0.050 55.871 55.803 0.030 0.000 0.870 320 Q CB 0.620 29.349 28.738 -0.015 0.000 1.237 320 Q HN 1.481 nan 8.270 nan 0.000 0.497 321 A N 0.395 123.286 122.820 0.118 0.000 1.889 321 A HA 0.225 4.545 4.320 0.000 0.000 0.209 321 A C 0.856 178.508 177.584 0.114 0.000 1.315 321 A CA 1.468 53.569 52.037 0.108 0.000 0.611 321 A CB -1.268 17.767 19.000 0.059 0.000 0.950 321 A HN 0.510 nan 8.150 nan 0.000 0.477 322 G N -0.980 107.862 108.800 0.069 0.000 2.350 322 G HA2 0.456 4.416 3.960 0.000 0.000 0.306 322 G HA3 0.456 4.416 3.960 0.000 0.000 0.306 322 G C -0.571 174.362 174.900 0.055 0.000 1.094 322 G CA -0.044 45.090 45.100 0.057 0.000 0.953 322 G HN 0.324 nan 8.290 nan 0.000 0.420 323 D N 0.613 121.060 120.400 0.079 0.000 2.473 323 D HA 0.037 4.677 4.640 0.000 0.000 0.242 323 D C 0.345 176.676 176.300 0.053 0.000 1.106 323 D CA 0.189 54.223 54.000 0.057 0.000 0.854 323 D CB 0.355 41.185 40.800 0.051 0.000 1.192 323 D HN 0.335 nan 8.370 nan 0.000 0.503 324 Q N 0.758 120.590 119.800 0.053 0.000 2.499 324 Q HA -0.183 4.157 4.340 0.000 0.000 0.262 324 Q C -0.372 175.649 176.000 0.034 0.000 1.328 324 Q CA 0.771 56.581 55.803 0.012 0.000 0.794 324 Q CB -1.432 27.296 28.738 -0.017 0.000 0.888 324 Q HN 0.445 nan 8.270 nan 0.000 0.305 325 M N 1.000 120.638 119.600 0.063 0.000 2.157 325 M HA 0.547 5.027 4.480 0.000 0.000 0.354 325 M C 0.277 176.630 176.300 0.087 0.000 1.170 325 M CA -0.449 54.937 55.300 0.143 0.000 1.060 325 M CB 1.822 34.592 32.600 0.282 0.000 1.615 325 M HN 0.478 nan 8.290 nan 0.000 0.460 326 S N 3.045 118.814 115.700 0.115 0.000 2.541 326 S HA 0.865 5.335 4.470 0.000 0.000 0.280 326 S C -1.454 173.280 174.600 0.222 0.000 1.112 326 S CA -0.834 57.391 58.200 0.041 0.000 0.925 326 S CB 1.726 64.900 63.200 -0.044 0.000 1.067 326 S HN 0.968 nan 8.310 nan 0.000 0.479 327 W N 0.207 121.692 121.300 0.308 0.000 3.118 327 W HA 0.722 5.382 4.660 0.000 0.000 0.328 327 W C -1.219 175.432 176.519 0.220 0.000 1.239 327 W CA -0.878 56.613 57.345 0.243 0.000 1.176 327 W CB 1.255 30.876 29.460 0.269 0.000 1.433 327 W HN 0.706 nan 8.180 nan 0.000 0.562 328 S N 1.058 117.114 115.700 0.595 0.000 2.509 328 S HA 0.806 5.276 4.470 0.000 0.000 0.297 328 S C -0.726 174.151 174.600 0.462 0.000 1.118 328 S CA -0.226 58.221 58.200 0.412 0.000 1.074 328 S CB 1.005 64.324 63.200 0.199 0.000 1.038 328 S HN 0.832 nan 8.310 nan 0.000 0.498 329 A N 4.469 127.509 122.820 0.365 0.000 2.414 329 A HA 0.871 5.191 4.320 0.000 0.000 0.306 329 A C -0.603 176.967 177.584 -0.024 0.000 1.054 329 A CA -0.782 51.236 52.037 -0.032 0.000 0.724 329 A CB 1.442 20.396 19.000 -0.076 0.000 1.267 329 A HN 0.745 nan 8.150 nan 0.000 0.418 330 R N 0.772 121.169 120.500 -0.171 0.000 2.651 330 R HA 0.683 5.023 4.340 0.000 0.000 0.278 330 R C -0.582 175.644 176.300 -0.125 0.000 1.010 330 R CA 0.337 56.386 56.100 -0.085 0.000 0.896 330 R CB 2.194 32.467 30.300 -0.045 0.000 1.211 330 R HN 2.073 nan 8.270 nan 0.000 0.456 331 G N 0.914 109.661 108.800 -0.089 0.000 2.333 331 G HA2 0.093 4.053 3.960 0.000 0.000 0.330 331 G HA3 0.093 4.053 3.960 0.000 0.000 0.330 331 G C -1.717 173.114 174.900 -0.117 0.000 1.465 331 G CA -0.640 44.405 45.100 -0.092 0.000 0.996 331 G HN 0.567 nan 8.290 nan 0.000 0.655 332 S N -0.539 115.089 115.700 -0.121 0.000 2.566 332 S HA 0.882 5.352 4.470 0.000 0.000 0.298 332 S C -0.277 174.207 174.600 -0.193 0.000 1.083 332 S CA -0.961 57.139 58.200 -0.166 0.000 0.978 332 S CB 2.088 65.209 63.200 -0.131 0.000 1.073 332 S HN 0.769 nan 8.310 nan 0.000 0.491 333 L N 0.912 121.982 121.223 -0.255 0.000 2.319 333 L HA 0.885 5.225 4.340 0.000 0.000 0.267 333 L C -0.261 176.519 176.870 -0.150 0.000 1.011 333 L CA -1.131 53.552 54.840 -0.262 0.000 0.818 333 L CB 1.783 43.602 42.059 -0.399 0.000 1.316 333 L HN 0.846 nan 8.230 nan 0.000 0.432 334 A N 1.668 124.436 122.820 -0.086 0.000 2.330 334 A HA 0.719 5.039 4.320 0.000 0.000 0.313 334 A C -0.890 176.700 177.584 0.009 0.000 1.124 334 A CA -0.471 51.549 52.037 -0.028 0.000 0.774 334 A CB 1.492 20.482 19.000 -0.017 0.000 1.198 334 A HN 0.369 nan 8.150 nan 0.000 0.465 335 V N 2.844 122.793 119.914 0.059 0.000 2.328 335 V HA 0.400 4.520 4.120 0.000 0.000 0.278 335 V C 0.112 176.254 176.094 0.081 0.000 1.021 335 V CA -0.222 62.134 62.300 0.092 0.000 0.838 335 V CB 1.170 33.082 31.823 0.149 0.000 0.999 335 V HN 0.871 nan 8.190 nan 0.000 0.447 336 T N 7.031 121.573 114.554 -0.020 0.000 2.743 336 T HA 0.484 4.834 4.350 0.000 0.000 0.292 336 T C -0.022 174.531 174.700 -0.245 0.000 0.972 336 T CA -0.149 61.879 62.100 -0.120 0.000 0.967 336 T CB 0.652 69.430 68.868 -0.150 0.000 0.926 336 T HN 0.615 nan 8.240 nan 0.000 0.459 337 I N 1.866 122.347 120.570 -0.149 0.000 2.312 337 I HA 0.407 4.577 4.170 0.000 0.000 0.290 337 I C -0.251 175.783 176.117 -0.139 0.000 1.008 337 I CA -0.799 60.410 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 5.342 124.437 119.070 0.042 0.000 2.886 338 H HA 0.136 4.692 4.556 0.000 0.000 0.329 338 H C 1.475 176.815 175.328 0.020 0.000 1.044 338 H CA 1.050 57.114 56.048 0.026 0.000 1.456 338 H CB 0.886 30.660 29.762 0.020 0.000 1.464 338 H HN 1.026 nan 8.280 nan 0.000 0.573 339 G N 2.672 111.553 108.800 0.134 0.000 2.180 339 G HA2 -0.356 3.604 3.960 0.000 0.000 0.263 339 G HA3 -0.356 3.604 3.960 0.000 0.000 0.263 339 G C 1.555 176.506 174.900 0.085 0.000 0.989 339 G CA 0.842 45.991 45.100 0.080 0.000 0.692 339 G HN 0.867 nan 8.290 nan 0.000 0.526 340 G N 0.130 108.970 108.800 0.065 0.000 2.450 340 G HA2 -0.192 3.768 3.960 0.000 0.000 0.220 340 G HA3 -0.192 3.768 3.960 0.000 0.000 0.220 340 G C 1.331 176.263 174.900 0.053 0.000 1.130 340 G CA 1.309 46.442 45.100 0.055 0.000 0.760 340 G HN 0.520 nan 8.290 nan 0.000 0.557 341 N N -0.865 117.860 118.700 0.041 0.000 2.336 341 N HA 0.061 4.801 4.740 0.000 0.000 0.189 341 N C -0.269 175.268 175.510 0.046 0.000 1.113 341 N CA -0.475 52.586 53.050 0.018 0.000 0.858 341 N CB -0.114 38.361 38.487 -0.021 0.000 0.970 341 N HN 0.429 nan 8.380 nan 0.000 0.471 342 Y N 2.711 122.993 120.300 -0.030 0.000 2.605 342 Y HA 0.139 4.689 4.550 0.000 0.000 0.336 342 Y C -2.102 173.774 175.900 -0.041 0.000 1.111 342 Y CA -2.007 56.071 58.100 -0.037 0.000 1.422 342 Y CB 0.491 38.922 38.460 -0.050 0.000 1.193 342 Y HN 0.004 nan 8.280 nan 0.000 0.526 343 P HA 0.078 nan 4.420 nan 0.000 0.260 343 P C 0.528 177.751 177.300 -0.128 0.000 1.185 343 P CA 1.952 64.904 63.100 -0.248 0.000 0.763 343 P CB 0.483 31.985 31.700 -0.331 0.000 0.776 344 G N 3.271 112.087 108.800 0.027 0.000 2.313 344 G HA2 -0.297 3.663 3.960 0.000 0.000 0.215 344 G HA3 -0.297 3.663 3.960 0.000 0.000 0.215 344 G C 1.207 176.224 174.900 0.196 0.000 1.023 344 G CA 0.329 45.507 45.100 0.129 0.000 0.626 344 G HN 0.612 nan 8.290 nan 0.000 0.503 345 A N -0.211 122.707 122.820 0.164 0.000 1.969 345 A HA 0.543 4.863 4.320 0.000 0.000 0.218 345 A C 2.184 179.889 177.584 0.201 0.000 1.169 345 A CA 2.038 54.133 52.037 0.098 0.000 0.635 345 A CB -0.194 18.843 19.000 0.061 0.000 0.810 345 A HN 0.976 nan 8.150 nan 0.000 0.445 346 L N -3.776 117.548 121.223 0.169 0.000 3.316 346 L HA 0.202 4.542 4.340 0.000 0.000 0.300 346 L C 2.057 179.055 176.870 0.213 0.000 1.128 346 L CA 0.198 55.135 54.840 0.162 0.000 1.111 346 L CB 0.067 42.203 42.059 0.128 0.000 1.687 346 L HN 0.295 nan 8.230 nan 0.000 0.594 347 R N 1.733 122.328 120.500 0.158 0.000 2.072 347 R HA 0.078 4.418 4.340 0.000 0.000 0.221 347 R C -1.771 174.595 176.300 0.109 0.000 1.166 347 R CA 0.699 56.857 56.100 0.097 0.000 0.917 347 R CB -0.904 29.408 30.300 0.020 0.000 0.815 347 R HN 0.020 nan 8.270 nan 0.000 0.444 348 P HA 0.124 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 0.140 63.288 63.100 0.081 0.000 0.781 348 P CB 1.516 33.241 31.700 0.042 0.000 0.906 349 V N 3.313 123.343 119.914 0.193 0.000 2.588 349 V HA 0.390 4.510 4.120 0.000 0.000 0.304 349 V C 0.080 176.250 176.094 0.125 0.000 1.042 349 V CA -0.287 62.121 62.300 0.179 0.000 0.877 349 V CB 2.242 34.191 31.823 0.210 0.000 0.996 349 V HN 0.468 nan 8.190 nan 0.000 0.425 350 T N 6.035 120.635 114.554 0.078 0.000 2.770 350 T HA 0.629 4.979 4.350 0.000 0.000 0.283 350 T C -0.617 174.115 174.700 0.052 0.000 0.988 350 T CA -0.281 61.874 62.100 0.092 0.000 0.957 350 T CB 0.919 69.865 68.868 0.130 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.094 125.320 121.223 0.006 0.000 2.282 351 L HA 0.554 4.894 4.340 0.000 0.000 0.288 351 L C -0.349 176.527 176.870 0.009 0.000 1.033 351 L CA -0.422 54.383 54.840 -0.058 0.000 0.807 351 L CB 1.684 43.676 42.059 -0.112 0.000 1.209 351 L HN 0.383 nan 8.230 nan 0.000 0.423 352 V N 3.417 123.345 119.914 0.025 0.000 2.326 352 V HA 0.749 4.869 4.120 0.000 0.000 0.281 352 V C 0.088 176.258 176.094 0.127 0.000 1.015 352 V CA -0.670 61.693 62.300 0.105 0.000 0.823 352 V CB 1.262 33.210 31.823 0.208 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.579 128.471 122.820 0.119 0.000 2.317 353 A HA 0.914 5.234 4.320 0.000 0.000 0.327 353 A C -0.897 176.918 177.584 0.385 0.000 1.178 353 A CA -0.483 51.660 52.037 0.176 0.000 0.817 353 A CB 0.840 19.919 19.000 0.131 0.000 1.189 353 A HN 0.976 nan 8.150 nan 0.000 0.489 354 Y N -0.005 120.487 120.300 0.319 0.000 2.524 354 Y HA 0.795 5.345 4.550 0.000 0.000 0.344 354 Y C -0.308 175.654 175.900 0.103 0.000 1.012 354 Y CA -0.945 57.310 58.100 0.260 0.000 1.068 354 Y CB 1.363 39.912 38.460 0.149 0.000 1.249 354 Y HN 0.850 nan 8.280 nan 0.000 0.468 355 E N 0.813 121.022 120.200 0.015 0.000 2.412 355 E HA 0.566 4.916 4.350 0.000 0.000 0.279 355 E C -0.557 175.987 176.600 -0.093 0.000 0.984 355 E CA -1.286 55.003 56.400 -0.185 0.000 0.788 355 E CB 1.522 30.877 29.700 -0.574 0.000 1.277 355 E HN 0.581 nan 8.360 nan 0.000 0.455 356 R N -0.893 119.563 120.500 -0.073 0.000 3.989 356 R HA -0.102 4.238 4.340 0.000 0.000 0.377 356 R C -0.446 175.854 176.300 0.001 0.000 1.158 356 R CA 0.855 56.927 56.100 -0.047 0.000 1.035 356 R CB -2.822 27.433 30.300 -0.076 0.000 1.557 356 R HN 0.484 nan 8.270 nan 0.000 0.551 357 V N 1.413 121.363 119.914 0.061 0.000 2.614 357 V HA 0.439 4.559 4.120 0.000 0.000 0.291 357 V C 1.449 177.562 176.094 0.032 0.000 1.049 357 V CA -0.044 62.289 62.300 0.054 0.000 1.038 357 V CB 1.534 33.410 31.823 0.089 0.000 0.980 357 V HN 0.365 nan 8.190 nan 0.000 0.481 358 A N 3.878 126.696 122.820 -0.002 0.000 2.511 358 A HA 0.323 4.643 4.320 0.000 0.000 0.242 358 A C 0.767 178.355 177.584 0.007 0.000 1.069 358 A CA -0.001 52.029 52.037 -0.010 0.000 0.763 358 A CB -0.303 18.677 19.000 -0.033 0.000 1.001 358 A HN 0.866 nan 8.150 nan 0.000 0.498 359 T N 1.868 116.429 114.554 0.011 0.000 2.908 359 T HA 0.401 4.751 4.350 0.000 0.000 0.301 359 T C 1.545 176.253 174.700 0.013 0.000 1.019 359 T CA 1.610 63.723 62.100 0.021 0.000 1.152 359 T CB 0.416 69.293 68.868 0.015 0.000 0.966 359 T HN 2.025 nan 8.240 nan 0.000 0.540 360 G N 2.703 111.515 108.800 0.020 0.000 2.195 360 G HA2 -0.275 3.685 3.960 0.000 0.000 0.246 360 G HA3 -0.275 3.685 3.960 0.000 0.000 0.246 360 G C 0.377 175.278 174.900 0.001 0.000 0.984 360 G CA 0.109 45.216 45.100 0.012 0.000 0.633 360 G HN 1.132 nan 8.290 nan 0.000 0.525 361 S N -0.688 115.008 115.700 -0.007 0.000 2.632 361 S HA 0.720 5.190 4.470 0.000 0.000 0.267 361 S C 0.142 174.716 174.600 -0.042 0.000 1.276 361 S CA -0.271 57.915 58.200 -0.024 0.000 0.998 361 S CB 2.497 65.678 63.200 -0.032 0.000 0.953 361 S HN 0.982 nan 8.310 nan 0.000 0.547 362 V N 1.906 121.789 119.914 -0.052 0.000 2.394 362 V HA 0.352 4.472 4.120 0.000 0.000 0.282 362 V C -0.267 175.761 176.094 -0.110 0.000 1.031 362 V CA -0.754 61.506 62.300 -0.067 0.000 0.881 362 V CB 1.306 33.104 31.823 -0.041 0.000 0.982 362 V HN 0.775 nan 8.190 nan 0.000 0.451 363 V N 4.613 124.422 119.914 -0.174 0.000 2.364 363 V HA 0.311 4.431 4.120 0.000 0.000 0.272 363 V C 0.476 176.485 176.094 -0.141 0.000 1.036 363 V CA -0.088 62.077 62.300 -0.225 0.000 0.880 363 V CB 1.649 33.203 31.823 -0.448 0.000 0.991 363 V HN 0.969 nan 8.190 nan 0.000 0.460 364 T N 5.283 119.790 114.554 -0.078 0.000 2.767 364 T HA 0.532 4.882 4.350 0.000 0.000 0.288 364 T C -0.233 174.475 174.700 0.014 0.000 0.963 364 T CA -0.270 61.816 62.100 -0.024 0.000 1.019 364 T CB 1.415 70.275 68.868 -0.015 0.000 0.923 364 T HN 0.334 nan 8.240 nan 0.000 0.468 365 V N 2.659 122.612 119.914 0.065 0.000 2.459 365 V HA 0.835 4.955 4.120 0.000 0.000 0.295 365 V C -0.092 176.069 176.094 0.112 0.000 1.029 365 V CA -0.816 61.561 62.300 0.128 0.000 0.874 365 V CB 1.410 33.371 31.823 0.229 0.000 0.985 365 V HN 1.069 nan 8.190 nan 0.000 0.438 366 A N 3.410 126.273 122.820 0.072 0.000 2.427 366 A HA 0.970 5.290 4.320 0.000 0.000 0.298 366 A C -0.170 177.423 177.584 0.016 0.000 1.036 366 A CA -0.009 52.053 52.037 0.041 0.000 0.701 366 A CB 1.887 20.896 19.000 0.016 0.000 1.250 366 A HN 1.210 nan 8.150 nan 0.000 0.412 367 G N -0.316 108.497 108.800 0.022 0.000 2.695 367 G HA2 0.638 4.598 3.960 0.000 0.000 0.290 367 G HA3 0.638 4.598 3.960 0.000 0.000 0.290 367 G C -1.782 173.123 174.900 0.008 0.000 1.410 367 G CA -0.559 44.533 45.100 -0.013 0.000 0.844 367 G HN 1.131 nan 8.290 nan 0.000 0.478 368 V N 0.266 120.171 119.914 -0.015 0.000 2.638 368 V HA 0.688 4.808 4.120 0.000 0.000 0.306 368 V C -0.264 175.812 176.094 -0.030 0.000 1.052 368 V CA -0.711 61.591 62.300 0.003 0.000 0.885 368 V CB 1.913 33.736 31.823 -0.000 0.000 0.999 368 V HN 0.759 nan 8.190 nan 0.000 0.424 369 S N 4.093 119.785 115.700 -0.014 0.000 2.482 369 S HA 0.582 5.052 4.470 0.000 0.000 0.303 369 S C -0.647 173.762 174.600 -0.318 0.000 1.091 369 S CA -0.811 57.283 58.200 -0.177 0.000 1.057 369 S CB 1.192 64.360 63.200 -0.053 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.714 120.099 118.700 -0.525 0.000 2.321 370 N HA 0.608 5.348 4.740 0.000 0.000 0.299 370 N C -1.501 173.647 175.510 -0.604 0.000 1.048 370 N CA -0.227 52.604 53.050 -0.365 0.000 0.836 370 N CB 1.396 39.800 38.487 -0.137 0.000 1.269 370 N HN 0.404 nan 8.380 nan 0.000 0.486 371 F N 0.022 119.991 119.950 0.032 0.000 2.576 371 F HA 0.334 4.861 4.527 0.000 0.000 0.313 371 F C 0.502 176.308 175.800 0.011 0.000 1.078 371 F CA -0.876 57.125 58.000 0.002 0.000 0.921 371 F CB 1.899 40.873 39.000 -0.044 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.973 123.277 120.200 0.174 0.000 2.227 372 E HA 0.607 4.957 4.350 0.000 0.000 0.282 372 E C -1.153 175.580 176.600 0.222 0.000 1.015 372 E CA -0.433 56.052 56.400 0.142 0.000 0.823 372 E CB 1.569 31.168 29.700 -0.169 0.000 1.081 372 E HN 0.415 nan 8.360 nan 0.000 0.396 373 L N 3.691 125.070 121.223 0.261 0.000 2.388 373 L HA 0.554 4.894 4.340 0.000 0.000 0.264 373 L C -0.662 176.382 176.870 0.290 0.000 0.998 373 L CA -0.817 54.115 54.840 0.153 0.000 0.817 373 L CB 1.863 43.687 42.059 -0.392 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.434 124.206 120.570 0.337 0.000 2.362 374 I HA 0.355 4.525 4.170 0.000 0.000 0.289 374 I C -2.216 174.136 176.117 0.392 0.000 0.994 374 I CA -2.007 59.467 61.300 0.290 0.000 1.158 374 I CB 1.973 40.087 38.000 0.190 0.000 1.315 374 I HN 0.245 nan 8.210 nan 0.000 0.451 375 P HA 0.060 nan 4.420 nan 0.000 0.272 375 P C -0.981 176.355 177.300 0.060 0.000 1.223 375 P CA -0.347 62.848 63.100 0.158 0.000 0.784 375 P CB 0.281 32.014 31.700 0.055 0.000 0.923 376 N N 2.422 121.089 118.700 -0.055 0.000 2.354 376 N HA 0.078 4.818 4.740 0.000 0.000 0.246 376 N C -1.974 173.516 175.510 -0.032 0.000 1.285 376 N CA -1.613 51.415 53.050 -0.037 0.000 0.925 376 N CB -1.361 37.081 38.487 -0.077 0.000 1.174 376 N HN 0.153 nan 8.380 nan 0.000 0.478 377 P HA -0.162 nan 4.420 nan 0.000 0.216 377 P C 0.980 178.264 177.300 -0.027 0.000 1.150 377 P CA 1.508 64.600 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 -0.953 119.222 120.200 -0.041 0.000 2.072 378 E HA -0.103 4.247 4.350 0.000 0.000 0.190 378 E C 1.763 178.331 176.600 -0.053 0.000 0.982 378 E CA 0.742 57.116 56.400 -0.043 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 -0.026 121.149 121.223 -0.081 0.000 2.156 379 L HA 0.114 4.454 4.340 0.000 0.000 0.208 379 L C 2.036 178.875 176.870 -0.051 0.000 1.095 379 L CA 1.484 56.268 54.840 -0.093 0.000 0.770 379 L CB -0.671 41.273 42.059 -0.192 0.000 0.914 379 L HN 0.180 nan 8.230 nan 0.000 0.439 380 A N -0.874 121.925 122.820 -0.035 0.000 2.131 380 A HA -0.228 4.092 4.320 0.000 0.000 0.220 380 A C 2.178 179.755 177.584 -0.011 0.000 1.158 380 A CA 1.542 53.573 52.037 -0.010 0.000 0.665 380 A CB -0.525 18.474 19.000 -0.002 0.000 0.795 380 A HN 0.477 nan 8.150 nan 0.000 0.460 381 K N -0.799 119.591 120.400 -0.017 0.000 2.366 381 K HA 0.016 4.336 4.320 0.000 0.000 0.198 381 K C 0.373 176.967 176.600 -0.010 0.000 1.044 381 K CA 0.848 57.127 56.287 -0.013 0.000 0.973 381 K CB 0.056 32.547 32.500 -0.015 0.000 0.767 381 K HN 0.390 nan 8.250 nan 0.000 0.475 382 N N -0.160 118.534 118.700 -0.010 0.000 2.118 382 N HA 0.047 4.787 4.740 0.000 0.000 0.226 382 N C -1.015 174.498 175.510 0.004 0.000 1.305 382 N CA -0.048 52.999 53.050 -0.005 0.000 0.890 382 N CB 1.077 39.560 38.487 -0.008 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.505 123.733 121.223 0.008 0.000 2.318 383 L HA 0.441 4.781 4.340 0.000 0.000 0.277 383 L C -0.311 176.572 176.870 0.021 0.000 1.008 383 L CA -0.567 54.290 54.840 0.028 0.000 0.846 383 L CB 1.223 43.312 42.059 0.050 0.000 1.220 383 L HN -0.276 nan 8.230 nan 0.000 0.423 384 V N 4.096 124.018 119.914 0.013 0.000 2.585 384 V HA 0.244 4.364 4.120 0.000 0.000 0.296 384 V C 0.845 176.929 176.094 -0.017 0.000 1.035 384 V CA 0.018 62.315 62.300 -0.006 0.000 1.084 384 V CB 1.247 33.065 31.823 -0.008 0.000 0.953 384 V HN 0.908 nan 8.190 nan 0.000 0.483 385 T N 2.479 117.003 114.554 -0.051 0.000 2.912 385 T HA 0.812 5.162 4.350 0.000 0.000 0.288 385 T C -0.762 173.837 174.700 -0.169 0.000 1.030 385 T CA -0.905 61.137 62.100 -0.097 0.000 1.020 385 T CB 2.299 71.112 68.868 -0.092 0.000 1.056 385 T HN 0.678 nan 8.240 nan 0.000 0.480 386 E N 0.149 120.199 120.200 -0.249 0.000 2.408 386 E HA 0.360 4.710 4.350 0.000 0.000 0.275 386 E C -1.276 175.115 176.600 -0.347 0.000 0.935 386 E CA -0.979 55.268 56.400 -0.256 0.000 0.775 386 E CB 1.840 31.459 29.700 -0.136 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.504 120.762 120.300 -0.070 0.000 2.480 387 Y HA 0.228 4.778 4.550 0.000 0.000 0.338 387 Y C 1.431 177.327 175.900 -0.006 0.000 1.220 387 Y CA 0.199 58.298 58.100 -0.001 0.000 1.430 387 Y CB 0.520 38.995 38.460 0.025 0.000 1.311 387 Y HN 0.605 nan 8.280 nan 0.000 0.575 388 G N 2.810 111.795 108.800 0.309 0.000 2.559 388 G HA2 0.067 4.027 3.960 0.000 0.000 0.235 388 G HA3 0.067 4.027 3.960 0.000 0.000 0.235 388 G C -0.217 174.801 174.900 0.196 0.000 1.266 388 G CA -0.886 44.369 45.100 0.259 0.000 0.847 388 G HN 0.436 nan 8.290 nan 0.000 0.583 389 R N -0.139 120.452 120.500 0.152 0.000 2.538 389 R HA -0.010 4.330 4.340 0.000 0.000 0.282 389 R C -0.330 176.080 176.300 0.183 0.000 1.009 389 R CA -0.435 55.750 56.100 0.142 0.000 1.063 389 R CB 0.014 30.370 30.300 0.094 0.000 0.945 389 R HN 0.381 nan 8.270 nan 0.000 0.414 390 F N 4.845 124.816 119.950 0.033 0.000 2.421 390 F HA 0.168 4.695 4.527 0.000 0.000 0.358 390 F C -0.348 175.460 175.800 0.013 0.000 1.115 390 F CA -1.403 56.607 58.000 0.017 0.000 1.160 390 F CB 0.464 39.468 39.000 0.007 0.000 1.123 390 F HN 0.482 nan 8.300 nan 0.000 0.508 391 D N 8.077 128.172 120.400 -0.508 0.000 2.620 391 D HA 0.323 4.963 4.640 0.000 0.000 0.252 391 D C -3.290 172.594 176.300 -0.693 0.000 1.207 391 D CA -2.037 51.550 54.000 -0.688 0.000 0.884 391 D CB 1.741 42.362 40.800 -0.298 0.000 1.262 391 D HN 0.216 nan 8.370 nan 0.000 0.552 392 P HA 0.285 nan 4.420 nan 0.000 0.274 392 P C 1.011 178.200 177.300 -0.185 0.000 1.231 392 P CA 0.444 63.304 63.100 -0.401 0.000 0.790 392 P CB 1.082 32.632 31.700 -0.251 0.000 0.951 393 G N 1.391 110.154 108.800 -0.063 0.000 2.205 393 G HA2 -0.355 3.605 3.960 0.000 0.000 0.261 393 G HA3 -0.355 3.605 3.960 0.000 0.000 0.261 393 G C 1.121 176.044 174.900 0.038 0.000 0.980 393 G CA 0.712 45.812 45.100 0.000 0.000 0.632 393 G HN 0.738 nan 8.290 nan 0.000 0.533 394 A N -0.492 122.320 122.820 -0.013 0.000 1.877 394 A HA 0.205 4.525 4.320 0.000 0.000 0.216 394 A C 2.272 179.921 177.584 0.108 0.000 1.186 394 A CA 2.826 54.893 52.037 0.050 0.000 0.620 394 A CB -0.369 18.626 19.000 -0.008 0.000 0.822 394 A HN 1.149 nan 8.150 nan 0.000 0.443 395 M N 0.852 120.465 119.600 0.023 0.000 2.132 395 M HA -0.080 4.400 4.480 0.000 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 -0.960 31.615 32.600 -0.042 0.000 1.365 395 M HN 0.512 nan 8.290 nan 0.000 0.411 396 N N -1.321 117.432 118.700 0.090 0.000 2.166 396 N HA -0.218 4.522 4.740 0.000 0.000 0.186 396 N C 1.734 177.322 175.510 0.130 0.000 1.019 396 N CA 1.610 54.718 53.050 0.097 0.000 0.856 396 N CB -0.407 38.133 38.487 0.088 0.000 0.993 396 N HN 0.429 nan 8.380 nan 0.000 0.426 397 Y N 2.336 122.668 120.300 0.053 0.000 2.200 397 Y HA -0.158 4.392 4.550 0.000 0.000 0.290 397 Y C 2.521 178.479 175.900 0.096 0.000 1.137 397 Y CA 1.403 59.545 58.100 0.070 0.000 1.163 397 Y CB -0.465 38.038 38.460 0.071 0.000 0.988 397 Y HN -0.034 nan 8.280 nan 0.000 0.518 398 T N 0.185 114.870 114.554 0.218 0.000 2.746 398 T HA -0.200 4.150 4.350 0.000 0.000 0.267 398 T C 1.799 176.563 174.700 0.106 0.000 1.039 398 T CA 1.903 64.121 62.100 0.196 0.000 1.142 398 T CB -0.195 68.863 68.868 0.317 0.000 0.866 398 T HN 0.267 nan 8.240 nan 0.000 0.444 399 K N 0.380 120.836 120.400 0.093 0.000 2.097 399 K HA -0.010 4.310 4.320 0.000 0.000 0.206 399 K C 2.198 178.800 176.600 0.003 0.000 1.049 399 K CA 0.842 57.166 56.287 0.062 0.000 0.933 399 K CB -0.343 32.194 32.500 0.061 0.000 0.717 399 K HN 0.137 nan 8.250 nan 0.000 0.442 400 L N 1.314 122.510 121.223 -0.045 0.000 1.994 400 L HA -0.176 4.164 4.340 0.000 0.000 0.208 400 L C 1.899 178.693 176.870 -0.127 0.000 1.071 400 L CA 1.579 56.362 54.840 -0.096 0.000 0.745 400 L CB -0.373 41.594 42.059 -0.153 0.000 0.892 400 L HN 0.083 nan 8.230 nan 0.000 0.431 401 I N -0.292 120.159 120.570 -0.199 0.000 2.127 401 I HA -0.316 3.854 4.170 0.000 0.000 0.241 401 I C 2.597 178.679 176.117 -0.057 0.000 1.075 401 I CA 1.647 62.855 61.300 -0.155 0.000 1.334 401 I CB -1.262 36.639 38.000 -0.166 0.000 1.040 401 I HN 0.323 nan 8.210 nan 0.000 0.405 402 L N 0.031 121.241 121.223 -0.022 0.000 2.093 402 L HA -0.184 4.156 4.340 0.000 0.000 0.208 402 L C 2.697 179.556 176.870 -0.019 0.000 1.085 402 L CA 1.404 56.241 54.840 -0.005 0.000 0.755 402 L CB -0.607 41.469 42.059 0.028 0.000 0.904 402 L HN 0.276 nan 8.230 nan 0.000 0.435 403 S N -0.226 115.462 115.700 -0.020 0.000 2.399 403 S HA -0.163 4.307 4.470 0.000 0.000 0.231 403 S C 1.517 176.101 174.600 -0.025 0.000 1.022 403 S CA 1.192 59.379 58.200 -0.021 0.000 0.983 403 S CB -0.071 63.118 63.200 -0.018 0.000 0.803 403 S HN 0.402 nan 8.310 nan 0.000 0.480 404 E N 0.634 120.817 120.200 -0.029 0.000 2.499 404 E HA 0.159 4.509 4.350 0.000 0.000 0.199 404 E C 1.523 178.110 176.600 -0.022 0.000 1.016 404 E CA -0.271 56.115 56.400 -0.022 0.000 0.933 404 E CB -0.007 29.682 29.700 -0.019 0.000 1.050 404 E HN 0.504 nan 8.360 nan 0.000 0.462 405 R N 1.469 121.950 120.500 -0.032 0.000 2.112 405 R HA -0.200 4.140 4.340 0.000 0.000 0.242 405 R C 0.897 177.160 176.300 -0.062 0.000 1.137 405 R CA 1.878 57.952 56.100 -0.044 0.000 0.944 405 R CB 0.105 30.372 30.300 -0.054 0.000 0.857 405 R HN 0.086 nan 8.270 nan 0.000 0.435 406 D N -0.273 120.090 120.400 -0.061 0.000 2.149 406 D HA -0.159 4.481 4.640 0.000 0.000 0.201 406 D C 2.026 178.292 176.300 -0.056 0.000 0.972 406 D CA 1.412 55.368 54.000 -0.073 0.000 0.835 406 D CB -0.219 40.542 40.800 -0.066 0.000 0.966 406 D HN 0.450 nan 8.370 nan 0.000 0.476 407 R N 0.780 121.262 120.500 -0.031 0.000 2.148 407 R HA 0.019 4.359 4.340 0.000 0.000 0.223 407 R C 1.995 178.299 176.300 0.006 0.000 1.088 407 R CA 0.775 56.868 56.100 -0.013 0.000 0.985 407 R CB -0.428 29.872 30.300 -0.001 0.000 0.880 407 R HN 0.145 nan 8.270 nan 0.000 0.451 408 L N 0.331 121.563 121.223 0.015 0.000 2.446 408 L HA 0.280 4.620 4.340 0.000 0.000 0.219 408 L C 0.910 177.804 176.870 0.040 0.000 1.116 408 L CA 0.511 55.393 54.840 0.070 0.000 0.844 408 L CB 0.013 42.135 42.059 0.106 0.000 0.970 408 L HN 0.628 nan 8.230 nan 0.000 0.457 409 G N 1.533 110.296 108.800 -0.061 0.000 2.272 409 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 409 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 409 G C 0.036 174.738 174.900 -0.329 0.000 1.067 409 G CA -0.204 44.791 45.100 -0.175 0.000 0.902 409 G HN 0.299 nan 8.290 nan 0.000 0.500 410 I N 0.824 121.243 120.570 -0.251 0.000 2.294 410 I HA 0.211 4.381 4.170 0.000 0.000 0.295 410 I C 0.915 176.812 176.117 -0.367 0.000 1.098 410 I CA -0.043 61.104 61.300 -0.256 0.000 1.277 410 I CB 0.436 38.391 38.000 -0.076 0.000 1.434 410 I HN 0.084 nan 8.210 nan 0.000 0.498 411 K N 3.376 123.288 120.400 -0.814 0.000 2.087 411 K HA 0.334 4.654 4.320 0.000 0.000 0.255 411 K C 1.149 177.512 176.600 -0.395 0.000 0.988 411 K CA -0.459 55.307 56.287 -0.868 0.000 0.915 411 K CB 1.226 32.764 32.500 -1.603 0.000 1.043 411 K HN 0.560 nan 8.250 nan 0.000 0.457 412 T N -3.109 111.288 114.554 -0.263 0.000 3.051 412 T HA 0.045 4.395 4.350 0.000 0.000 0.255 412 T C 0.690 175.366 174.700 -0.041 0.000 1.085 412 T CA -0.110 61.945 62.100 -0.074 0.000 1.109 412 T CB -0.140 68.691 68.868 -0.061 0.000 0.921 412 T HN 0.373 nan 8.240 nan 0.000 0.488 413 V N -1.710 118.102 119.914 -0.170 0.000 2.577 413 V HA 0.810 4.930 4.120 0.000 0.000 0.303 413 V C -1.812 174.196 176.094 -0.144 0.000 1.042 413 V CA -1.754 60.512 62.300 -0.057 0.000 0.872 413 V CB 0.889 32.688 31.823 -0.039 0.000 0.998 413 V HN 0.351 nan 8.190 nan 0.000 0.423 414 W N 3.599 124.854 121.300 -0.075 0.000 2.844 414 W HA 0.733 5.393 4.660 0.000 0.000 0.340 414 W C -2.717 173.801 176.519 -0.003 0.000 1.093 414 W CA -2.505 54.820 57.345 -0.032 0.000 1.212 414 W CB 1.823 31.283 29.460 -0.000 0.000 1.422 414 W HN 0.344 nan 8.180 nan 0.000 0.515 415 P HA 0.072 nan 4.420 nan 0.000 0.271 415 P C 0.841 178.290 177.300 0.249 0.000 1.226 415 P CA 0.387 63.608 63.100 0.202 0.000 0.765 415 P CB 0.817 32.611 31.700 0.156 0.000 0.835 416 T N 2.804 117.463 114.554 0.175 0.000 2.699 416 T HA -0.234 4.116 4.350 0.000 0.000 0.268 416 T C 1.769 176.573 174.700 0.173 0.000 1.036 416 T CA 1.765 63.960 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 1.471 122.056 120.500 0.141 0.000 2.091 417 R HA -0.101 4.239 4.340 0.000 0.000 0.238 417 R C 2.113 178.500 176.300 0.145 0.000 1.136 417 R CA 1.850 58.022 56.100 0.119 0.000 0.959 417 R CB -0.385 29.973 30.300 0.096 0.000 0.856 417 R HN 0.475 nan 8.270 nan 0.000 0.437 418 E N -1.183 119.143 120.200 0.210 0.000 2.152 418 E HA -0.202 4.148 4.350 0.000 0.000 0.192 418 E C 1.572 178.357 176.600 0.307 0.000 0.983 418 E CA 1.136 57.702 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 0.431 nan 8.360 nan 0.000 0.467 419 Y N 1.540 121.884 120.300 0.073 0.000 2.220 419 Y HA -0.180 4.370 4.550 0.000 0.000 0.291 419 Y C 2.355 178.159 175.900 -0.161 0.000 1.129 419 Y CA 1.633 59.486 58.100 -0.413 0.000 1.161 419 Y CB -0.339 37.726 38.460 -0.659 0.000 0.997 419 Y HN -0.111 nan 8.280 nan 0.000 0.522 420 T N 0.428 114.947 114.554 -0.059 0.000 2.684 420 T HA -0.189 4.161 4.350 0.000 0.000 0.267 420 T C 1.330 175.982 174.700 -0.081 0.000 1.036 420 T CA 1.763 63.809 62.100 -0.089 0.000 1.148 420 T CB -0.399 68.482 68.868 0.021 0.000 0.863 420 T HN 0.357 nan 8.240 nan 0.000 0.436 421 D N 0.440 120.848 120.400 0.013 0.000 2.123 421 D HA -0.068 4.572 4.640 0.000 0.000 0.196 421 D C 1.665 178.013 176.300 0.080 0.000 0.992 421 D CA 0.739 54.773 54.000 0.058 0.000 0.833 421 D CB -0.501 40.357 40.800 0.097 0.000 0.954 421 D HN 0.367 nan 8.370 nan 0.000 0.455 422 F N 1.793 121.686 119.950 -0.095 0.000 2.095 422 F HA -0.156 4.371 4.527 0.000 0.000 0.298 422 F C 2.283 178.039 175.800 -0.073 0.000 1.104 422 F CA 1.441 59.398 58.000 -0.070 0.000 1.232 422 F CB -0.084 38.792 39.000 -0.206 0.000 0.987 422 F HN -0.205 nan 8.300 nan 0.000 0.475 423 R N 0.372 120.655 120.500 -0.362 0.000 2.096 423 R HA -0.241 4.099 4.340 0.000 0.000 0.240 423 R C 2.364 178.538 176.300 -0.211 0.000 1.139 423 R CA 2.173 58.067 56.100 -0.344 0.000 0.952 423 R CB -0.791 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 -0.605 119.512 120.200 -0.138 0.000 2.216 424 E HA -0.203 4.147 4.350 0.000 0.000 0.192 424 E C 1.648 178.197 176.600 -0.085 0.000 0.988 424 E CA 0.789 57.127 56.400 -0.104 0.000 0.834 424 E CB -0.294 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 1.088 121.294 120.300 -0.156 0.000 2.130 425 Y HA -0.030 4.520 4.550 0.000 0.000 0.287 425 Y C 1.114 176.931 175.900 -0.139 0.000 1.124 425 Y CA 0.962 58.995 58.100 -0.111 0.000 1.118 425 Y CB -0.260 38.176 38.460 -0.040 0.000 0.994 425 Y HN 0.092 nan 8.280 nan 0.000 0.497 426 F N 0.501 120.284 119.950 -0.279 0.000 2.521 426 F HA -0.006 4.521 4.527 0.000 0.000 0.298 426 F C 1.018 176.641 175.800 -0.295 0.000 1.289 426 F CA 0.200 57.978 58.000 -0.370 0.000 1.315 426 F CB 0.196 38.776 39.000 -0.699 0.000 1.257 426 F HN 0.133 nan 8.300 nan 0.000 0.541 427 M N 2.125 120.758 119.600 -1.612 0.000 2.212 427 M HA -0.258 4.222 4.480 0.000 0.000 0.193 427 M C 0.276 176.261 176.300 -0.525 0.000 0.493 427 M CA 0.764 55.431 55.300 -1.055 0.000 0.427 427 M CB -1.117 31.081 32.600 -0.671 0.000 1.120 427 M HN 0.805 nan 8.290 nan 0.000 0.929 428 E N -1.087 118.838 120.200 -0.458 0.000 2.474 428 E HA 0.182 4.532 4.350 0.000 0.000 0.195 428 E C -0.034 176.419 176.600 -0.244 0.000 1.039 428 E CA 0.133 56.352 56.400 -0.301 0.000 0.881 428 E CB 0.702 30.232 29.700 -0.283 0.000 0.970 428 E HN 0.402 nan 8.360 nan 0.000 0.486 429 V N 0.915 120.665 119.914 -0.273 0.000 2.483 429 V HA 0.574 4.694 4.120 0.000 0.000 0.297 429 V C -0.665 175.310 176.094 -0.198 0.000 1.027 429 V CA -0.607 61.572 62.300 -0.202 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 3.063 125.794 122.820 -0.149 0.000 2.839 430 A HA 0.470 4.790 4.320 0.000 0.000 0.303 430 A C -0.408 177.122 177.584 -0.090 0.000 1.181 430 A CA -0.309 51.657 52.037 -0.119 0.000 0.808 430 A CB 0.578 19.505 19.000 -0.120 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.373 122.726 120.400 -0.080 0.000 2.615 431 D HA 0.409 5.049 4.640 0.000 0.000 0.236 431 D C 1.154 177.423 176.300 -0.052 0.000 1.233 431 D CA 0.307 54.266 54.000 -0.068 0.000 0.829 431 D CB -0.487 40.271 40.800 -0.070 0.000 1.024 431 D HN 0.651 nan 8.370 nan 0.000 0.490 432 L N -1.489 119.705 121.223 -0.048 0.000 5.895 432 L HA -0.352 3.988 4.340 0.000 0.000 0.053 432 L C 0.617 177.466 176.870 -0.034 0.000 2.741 432 L CA 1.244 56.062 54.840 -0.037 0.000 1.500 432 L CB -1.648 40.392 42.059 -0.032 0.000 2.928 432 L HN 0.283 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 0.000 0.000 0.231 433 N C -0.379 175.117 175.510 -0.024 0.000 1.385 433 N CA 0.456 53.489 53.050 -0.028 0.000 0.790 433 N CB 0.489 38.962 38.487 -0.023 0.000 1.563 433 N HN 1.150 nan 8.380 nan 0.000 0.613 434 S N 1.051 116.735 115.700 -0.027 0.000 2.560 434 S HA 0.502 4.972 4.470 0.000 0.000 0.276 434 S C -1.252 173.337 174.600 -0.019 0.000 1.350 434 S CA -0.513 57.673 58.200 -0.023 0.000 1.024 434 S CB -0.716 62.468 63.200 -0.026 0.000 0.864 434 S HN 0.584 nan 8.310 nan 0.000 0.536 435 P HA -0.093 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 0.554 63.646 63.100 -0.013 0.000 1.019 435 P CB -0.685 31.008 31.700 -0.012 0.000 1.776 436 L N 0.576 121.792 121.223 -0.012 0.000 2.127 436 L HA -0.106 4.234 4.340 0.000 0.000 0.203 436 L C 2.682 179.547 176.870 -0.008 0.000 1.080 436 L CA 1.643 56.477 54.840 -0.010 0.000 0.768 436 L CB -1.045 41.008 42.059 -0.009 0.000 0.924 436 L HN 0.071 nan 8.230 nan 0.000 0.444 437 K N 0.942 121.336 120.400 -0.009 0.000 2.362 437 K HA -0.116 4.204 4.320 0.000 0.000 0.202 437 K C 1.524 178.119 176.600 -0.008 0.000 1.045 437 K CA 1.991 58.273 56.287 -0.009 0.000 0.936 437 K CB -0.824 31.670 32.500 -0.010 0.000 0.747 437 K HN 0.517 nan 8.250 nan 0.000 0.467 438 I N -1.852 118.713 120.570 -0.008 0.000 4.439 438 I HA 0.225 4.395 4.170 0.000 0.000 0.331 438 I C 2.413 178.526 176.117 -0.007 0.000 1.345 438 I CA 0.418 61.713 61.300 -0.007 0.000 1.193 438 I CB 0.744 38.739 38.000 -0.008 0.000 1.221 438 I HN 0.220 nan 8.210 nan 0.000 0.429 439 A N 1.631 124.447 122.820 -0.007 0.000 1.862 439 A HA 0.026 4.346 4.320 0.000 0.000 0.217 439 A C 1.436 179.017 177.584 -0.005 0.000 1.251 439 A CA 2.136 54.170 52.037 -0.006 0.000 0.673 439 A CB -1.174 17.823 19.000 -0.005 0.000 0.843 439 A HN 0.416 nan 8.150 nan 0.000 0.458 440 G N 0.000 108.798 108.800 -0.004 0.000 5.446 440 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 440 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925