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 2z4g_1_B DATA FIRST_RESID 1 DATA SEQUENCE MVDSHVHTPL CGHAEGHPEA YLEEARAKGL KGVVFTDHSP MPPWYDPESR DATA SEQUENCE MRLEALPFYL LALERVRERA QDLYVGIGLE ADFHPGTEGF LAQLLRRYPF DATA SEQUENCE DYVIGSVHYL GAWPLDHPDH QEEYAWRDLK EVFRAYFQEV EKAARSGLFH DATA SEQUENCE AIGHLDLPKK FGHRLPEEAL LELAEPALRA VAEAGLFLDV NTAGLRRPAK DATA SEQUENCE EVYPAPALLR RARELGIGLV LGSDAHRPEE VGFAFPEVQA LLAGLGFREA DATA SEQUENCE YYFVEGSPVA YPLSR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.139 176.300 -0.268 0.000 1.140 1 M CA 0.000 55.081 55.300 -0.365 0.000 0.988 1 M CB 0.000 32.658 32.600 0.096 0.000 1.302 2 V N 0.750 120.544 119.914 -0.200 0.000 2.735 2 V HA 0.448 4.568 4.120 0.001 0.000 0.310 2 V C -1.186 175.008 176.094 0.167 0.000 1.061 2 V CA -0.537 61.665 62.300 -0.163 0.000 0.913 2 V CB 2.237 33.773 31.823 -0.479 0.000 1.005 2 V HN 0.783 nan 8.190 nan 0.000 0.428 3 D N 2.137 122.618 120.400 0.134 0.000 2.396 3 D HA 0.279 4.920 4.640 0.001 0.000 0.225 3 D C 0.590 176.981 176.300 0.151 0.000 1.121 3 D CA -0.008 54.155 54.000 0.273 0.000 0.853 3 D CB 1.639 42.429 40.800 -0.017 0.000 1.043 3 D HN 0.417 nan 8.370 nan 0.000 0.500 4 S N 2.485 118.333 115.700 0.248 0.000 2.634 4 S HA 0.014 4.484 4.470 0.001 0.000 0.221 4 S C 0.299 175.089 174.600 0.316 0.000 0.952 4 S CA -0.235 58.096 58.200 0.218 0.000 0.930 4 S CB -0.217 63.068 63.200 0.141 0.000 0.780 4 S HN 0.571 nan 8.310 nan 0.000 0.498 5 H N 0.688 119.848 119.070 0.151 0.000 2.808 5 H HA 0.497 5.053 4.556 0.001 0.000 0.268 5 H C -1.111 174.205 175.328 -0.019 0.000 1.306 5 H CA -0.571 55.523 56.048 0.077 0.000 1.565 5 H CB 0.669 30.534 29.762 0.172 0.000 1.632 5 H HN 0.163 nan 8.280 nan 0.000 0.525 6 V N 2.306 122.223 119.914 0.006 0.000 2.841 6 V HA 0.510 4.631 4.120 0.001 0.000 0.310 6 V C -1.099 174.812 176.094 -0.305 0.000 1.090 6 V CA -0.637 61.609 62.300 -0.090 0.000 0.930 6 V CB 2.109 33.855 31.823 -0.130 0.000 1.014 6 V HN 0.657 nan 8.190 nan 0.000 0.425 7 H N 2.363 121.385 119.070 -0.080 0.000 2.669 7 H HA 0.806 5.362 4.556 0.001 0.000 0.318 7 H C -0.061 175.176 175.328 -0.153 0.000 1.429 7 H CA 0.346 56.301 56.048 -0.155 0.000 1.460 7 H CB 2.127 31.610 29.762 -0.465 0.000 1.784 7 H HN 1.025 nan 8.280 nan 0.000 0.750 8 T N -2.802 111.777 114.554 0.041 0.000 2.896 8 T HA 0.206 4.556 4.350 0.001 0.000 0.297 8 T C -2.408 172.305 174.700 0.022 0.000 1.108 8 T CA -1.980 60.104 62.100 -0.027 0.000 1.004 8 T CB 2.034 70.901 68.868 -0.002 0.000 1.159 8 T HN 0.085 nan 8.240 nan 0.000 0.499 9 P HA 0.068 nan 4.420 nan 0.000 0.223 9 P C 1.532 178.838 177.300 0.009 0.000 1.144 9 P CA 0.641 63.763 63.100 0.037 0.000 0.783 9 P CB -0.074 31.657 31.700 0.052 0.000 0.771 10 L N -0.787 120.442 121.223 0.010 0.000 2.353 10 L HA -0.161 4.180 4.340 0.001 0.000 0.220 10 L C 2.262 179.130 176.870 -0.004 0.000 1.133 10 L CA 1.240 56.083 54.840 0.004 0.000 0.798 10 L CB -0.943 41.126 42.059 0.016 0.000 0.922 10 L HN 0.234 nan 8.230 nan 0.000 0.445 11 C N -1.834 117.457 119.300 -0.016 0.000 2.539 11 C HA 0.365 4.825 4.460 0.001 0.000 0.268 11 C C 1.923 176.904 174.990 -0.014 0.000 1.395 11 C CA -0.035 58.976 59.018 -0.012 0.000 1.757 11 C CB -0.801 26.936 27.740 -0.005 0.000 1.851 11 C HN 0.705 nan 8.230 nan 0.000 0.545 12 G N 1.278 110.067 108.800 -0.018 0.000 2.225 12 G HA2 -0.228 3.733 3.960 0.001 0.000 0.254 12 G HA3 -0.228 3.733 3.960 0.001 0.000 0.254 12 G C 0.364 175.330 174.900 0.110 0.000 0.988 12 G CA 0.644 45.779 45.100 0.058 0.000 0.625 12 G HN 1.185 nan 8.290 nan 0.000 0.527 13 H N -1.039 118.068 119.070 0.061 0.000 2.676 13 H HA 0.771 5.327 4.556 0.001 0.000 0.238 13 H C 0.136 175.562 175.328 0.163 0.000 1.276 13 H CA 0.292 56.373 56.048 0.054 0.000 0.983 13 H CB -0.296 29.446 29.762 -0.033 0.000 2.000 13 H HN 1.168 nan 8.280 nan 0.000 0.584 14 A N 0.900 123.746 122.820 0.043 0.000 2.539 14 A HA 0.674 4.995 4.320 0.001 0.000 0.296 14 A C -1.198 176.481 177.584 0.158 0.000 1.073 14 A CA -0.780 51.353 52.037 0.160 0.000 0.700 14 A CB 2.263 21.350 19.000 0.145 0.000 1.296 14 A HN 0.306 nan 8.150 nan 0.000 0.405 15 E N -0.437 119.892 120.200 0.216 0.000 2.433 15 E HA 0.788 5.139 4.350 0.001 0.000 0.273 15 E C -0.245 176.525 176.600 0.284 0.000 0.950 15 E CA -0.073 56.440 56.400 0.188 0.000 0.796 15 E CB 1.887 31.659 29.700 0.119 0.000 1.330 15 E HN 2.162 nan 8.360 nan 0.000 0.455 16 G N 0.877 109.825 108.800 0.248 0.000 2.906 16 G HA2 -0.072 3.889 3.960 0.001 0.000 0.686 16 G HA3 -0.072 3.889 3.960 0.001 0.000 0.686 16 G C -1.206 173.940 174.900 0.410 0.000 1.170 16 G CA -0.919 44.365 45.100 0.306 0.000 0.775 16 G HN 0.634 nan 8.290 nan 0.000 0.630 17 H N 5.079 124.278 119.070 0.215 0.000 2.928 17 H HA 0.206 4.762 4.556 0.001 0.000 0.338 17 H C -0.743 174.744 175.328 0.266 0.000 1.047 17 H CA -0.437 55.711 56.048 0.166 0.000 1.435 17 H CB 1.551 31.375 29.762 0.104 0.000 1.428 17 H HN 0.287 nan 8.280 nan 0.000 0.590 18 P HA -0.169 nan 4.420 nan 0.000 0.217 18 P C 0.758 178.330 177.300 0.454 0.000 1.148 18 P CA 1.401 64.623 63.100 0.204 0.000 0.828 18 P CB 0.305 31.847 31.700 -0.263 0.000 0.783 19 E N -0.470 120.064 120.200 0.557 0.000 2.274 19 E HA -0.018 4.332 4.350 0.001 0.000 0.194 19 E C 2.147 178.863 176.600 0.193 0.000 0.996 19 E CA 0.687 57.252 56.400 0.275 0.000 0.840 19 E CB -0.281 29.472 29.700 0.089 0.000 0.772 19 E HN 0.218 nan 8.360 nan 0.000 0.491 20 A N 0.387 123.355 122.820 0.246 0.000 1.897 20 A HA -0.145 4.175 4.320 0.001 0.000 0.215 20 A C 1.699 179.364 177.584 0.135 0.000 1.181 20 A CA 0.893 53.008 52.037 0.130 0.000 0.620 20 A CB -0.645 18.422 19.000 0.111 0.000 0.821 20 A HN 0.251 nan 8.150 nan 0.000 0.443 21 Y N 0.316 120.701 120.300 0.143 0.000 2.165 21 Y HA -0.200 4.351 4.550 0.001 0.000 0.286 21 Y C 2.239 178.169 175.900 0.050 0.000 1.155 21 Y CA 1.597 59.763 58.100 0.110 0.000 1.164 21 Y CB -0.287 38.292 38.460 0.199 0.000 0.978 21 Y HN 0.179 nan 8.280 nan 0.000 0.513 22 L N -0.330 121.048 121.223 0.260 0.000 2.141 22 L HA -0.199 4.141 4.340 0.001 0.000 0.209 22 L C 2.413 179.315 176.870 0.054 0.000 1.094 22 L CA 1.368 56.282 54.840 0.123 0.000 0.763 22 L CB -0.498 41.642 42.059 0.136 0.000 0.908 22 L HN 0.308 nan 8.230 nan 0.000 0.437 23 E N 0.529 120.761 120.200 0.054 0.000 2.077 23 E HA -0.297 4.053 4.350 0.001 0.000 0.193 23 E C 2.025 178.617 176.600 -0.013 0.000 0.989 23 E CA 1.490 57.896 56.400 0.010 0.000 0.800 23 E CB 0.184 29.884 29.700 -0.000 0.000 0.746 23 E HN 0.328 nan 8.360 nan 0.000 0.452 24 E N 0.348 120.534 120.200 -0.023 0.000 2.106 24 E HA -0.117 4.233 4.350 0.001 0.000 0.192 24 E C 1.701 178.263 176.600 -0.064 0.000 0.984 24 E CA 1.346 57.714 56.400 -0.053 0.000 0.806 24 E CB -0.286 29.363 29.700 -0.084 0.000 0.750 24 E HN 0.325 nan 8.360 nan 0.000 0.458 25 A N 1.026 123.812 122.820 -0.057 0.000 1.883 25 A HA -0.222 4.098 4.320 0.001 0.000 0.217 25 A C 2.225 179.769 177.584 -0.067 0.000 1.186 25 A CA 1.859 53.846 52.037 -0.084 0.000 0.624 25 A CB -0.566 18.386 19.000 -0.080 0.000 0.822 25 A HN 0.246 nan 8.150 nan 0.000 0.444 26 R N -0.518 119.957 120.500 -0.041 0.000 2.091 26 R HA -0.120 4.221 4.340 0.001 0.000 0.238 26 R C 2.418 178.696 176.300 -0.037 0.000 1.136 26 R CA 1.291 57.371 56.100 -0.034 0.000 0.959 26 R CB -0.546 29.742 30.300 -0.020 0.000 0.856 26 R HN 0.515 nan 8.270 nan 0.000 0.437 27 A N 1.321 124.118 122.820 -0.039 0.000 2.019 27 A HA -0.118 4.202 4.320 0.001 0.000 0.219 27 A C 1.658 179.215 177.584 -0.046 0.000 1.164 27 A CA 1.189 53.203 52.037 -0.038 0.000 0.644 27 A CB -0.071 18.907 19.000 -0.037 0.000 0.805 27 A HN 0.075 nan 8.150 nan 0.000 0.449 28 K N -1.103 119.259 120.400 -0.063 0.000 2.444 28 K HA 0.145 4.466 4.320 0.001 0.000 0.193 28 K C 1.013 177.579 176.600 -0.057 0.000 1.024 28 K CA 0.658 56.901 56.287 -0.074 0.000 1.077 28 K CB -0.113 32.311 32.500 -0.126 0.000 0.833 28 K HN 0.704 nan 8.250 nan 0.000 0.517 29 G N 2.009 110.780 108.800 -0.048 0.000 2.160 29 G HA2 -0.261 3.699 3.960 0.001 0.000 0.251 29 G HA3 -0.261 3.699 3.960 0.001 0.000 0.251 29 G C 0.129 175.001 174.900 -0.047 0.000 1.008 29 G CA 0.074 45.151 45.100 -0.038 0.000 0.724 29 G HN 0.214 nan 8.290 nan 0.000 0.514 30 L N -1.285 119.899 121.223 -0.065 0.000 2.436 30 L HA 0.477 4.817 4.340 0.001 0.000 0.265 30 L C 1.539 178.358 176.870 -0.087 0.000 1.168 30 L CA -0.390 54.403 54.840 -0.079 0.000 0.815 30 L CB 0.867 42.864 42.059 -0.102 0.000 1.109 30 L HN -0.010 nan 8.230 nan 0.000 0.462 31 K N 0.311 120.639 120.400 -0.121 0.000 2.374 31 K HA 0.294 4.614 4.320 0.001 0.000 0.196 31 K C 0.172 176.712 176.600 -0.099 0.000 1.023 31 K CA -0.035 56.187 56.287 -0.108 0.000 1.103 31 K CB 0.775 33.195 32.500 -0.134 0.000 0.848 31 K HN 0.780 nan 8.250 nan 0.000 0.528 32 G N -1.282 107.439 108.800 -0.132 0.000 2.451 32 G HA2 0.467 4.428 3.960 0.001 0.000 0.292 32 G HA3 0.467 4.428 3.960 0.001 0.000 0.292 32 G C -1.847 172.951 174.900 -0.170 0.000 1.427 32 G CA -0.582 44.444 45.100 -0.124 0.000 0.792 32 G HN -0.155 nan 8.290 nan 0.000 0.498 33 V N -0.577 119.190 119.914 -0.246 0.000 2.932 33 V HA 0.636 4.757 4.120 0.001 0.000 0.307 33 V C -0.776 175.081 176.094 -0.394 0.000 1.147 33 V CA -0.635 61.477 62.300 -0.314 0.000 0.951 33 V CB 2.172 33.752 31.823 -0.406 0.000 1.031 33 V HN 0.793 nan 8.190 nan 0.000 0.426 34 V N 4.757 124.505 119.914 -0.276 0.000 2.376 34 V HA 0.478 4.599 4.120 0.001 0.000 0.287 34 V C -0.576 175.427 176.094 -0.151 0.000 1.015 34 V CA -0.547 61.671 62.300 -0.136 0.000 0.834 34 V CB 1.346 33.239 31.823 0.115 0.000 1.001 34 V HN 0.663 nan 8.190 nan 0.000 0.428 35 F N 3.168 123.096 119.950 -0.036 0.000 2.504 35 F HA 0.394 4.921 4.527 0.001 0.000 0.369 35 F C 1.207 177.029 175.800 0.037 0.000 1.082 35 F CA 0.047 58.022 58.000 -0.043 0.000 1.216 35 F CB 1.245 40.187 39.000 -0.097 0.000 1.108 35 F HN 0.533 nan 8.300 nan 0.000 0.554 36 T N -0.430 114.148 114.554 0.041 0.000 3.504 36 T HA 0.198 4.549 4.350 0.001 0.000 0.286 36 T C -0.595 173.924 174.700 -0.303 0.000 1.530 36 T CA -0.951 61.087 62.100 -0.103 0.000 1.652 36 T CB -0.143 68.562 68.868 -0.272 0.000 0.895 36 T HN 0.325 nan 8.240 nan 0.000 0.674 37 D N 1.724 122.050 120.400 -0.123 0.000 2.357 37 D HA 0.068 4.708 4.640 0.001 0.000 0.242 37 D C 0.416 176.587 176.300 -0.214 0.000 1.153 37 D CA -0.172 53.717 54.000 -0.185 0.000 0.918 37 D CB 0.564 41.257 40.800 -0.179 0.000 1.181 37 D HN 0.398 nan 8.370 nan 0.000 0.435 38 H N 0.781 119.918 119.070 0.111 0.000 3.125 38 H HA 0.010 4.566 4.556 0.001 0.000 0.310 38 H C 0.534 175.824 175.328 -0.064 0.000 0.980 38 H CA 0.230 56.324 56.048 0.075 0.000 1.422 38 H CB -0.016 29.812 29.762 0.110 0.000 1.432 38 H HN 0.254 nan 8.280 nan 0.000 0.577 39 S N 4.682 120.396 115.700 0.023 0.000 2.585 39 S HA 0.250 4.721 4.470 0.001 0.000 0.273 39 S C -2.481 172.133 174.600 0.022 0.000 1.339 39 S CA -1.399 56.770 58.200 -0.051 0.000 1.028 39 S CB 1.303 64.461 63.200 -0.071 0.000 0.906 39 S HN 0.305 nan 8.310 nan 0.000 0.528 40 P HA 0.263 nan 4.420 nan 0.000 0.271 40 P C -0.437 176.933 177.300 0.117 0.000 1.233 40 P CA -0.139 63.018 63.100 0.095 0.000 0.789 40 P CB 0.319 32.122 31.700 0.173 0.000 0.951 41 M N 0.108 119.648 119.600 -0.101 0.000 2.683 41 M HA 0.405 4.886 4.480 0.001 0.000 0.274 41 M C -2.670 173.009 176.300 -1.035 0.000 1.272 41 M CA -2.606 52.365 55.300 -0.548 0.000 0.833 41 M CB 1.149 33.503 32.600 -0.410 0.000 1.708 41 M HN 0.017 nan 8.290 nan 0.000 0.463 42 P HA 0.096 nan 4.420 nan 0.000 0.266 42 P C -1.981 174.769 177.300 -0.917 0.000 1.193 42 P CA -0.515 61.831 63.100 -1.257 0.000 0.770 42 P CB -0.206 30.764 31.700 -1.217 0.000 0.836 43 P HA -0.182 nan 4.420 nan 0.000 0.218 43 P C 1.023 178.213 177.300 -0.184 0.000 1.146 43 P CA 1.527 64.479 63.100 -0.248 0.000 0.820 43 P CB -0.445 31.219 31.700 -0.061 0.000 0.778 44 W N -2.523 118.725 121.300 -0.087 0.000 2.770 44 W HA 0.094 4.755 4.660 0.001 0.000 0.256 44 W C 0.297 176.734 176.519 -0.135 0.000 1.291 44 W CA -0.288 57.001 57.345 -0.092 0.000 1.396 44 W CB -1.539 27.872 29.460 -0.082 0.000 1.114 44 W HN -0.027 nan 8.180 nan 0.000 0.637 45 Y N 4.581 124.451 120.300 -0.718 0.000 2.585 45 Y HA 0.161 4.712 4.550 0.001 0.000 0.354 45 Y C 0.605 176.244 175.900 -0.435 0.000 1.024 45 Y CA -0.089 57.588 58.100 -0.705 0.000 1.321 45 Y CB -0.388 37.401 38.460 -1.117 0.000 1.151 45 Y HN 0.023 nan 8.280 nan 0.000 0.525 46 D N 6.201 126.238 120.400 -0.606 0.000 2.720 46 D HA -0.200 4.440 4.640 0.001 0.000 0.229 46 D C -1.813 174.393 176.300 -0.157 0.000 1.198 46 D CA 0.668 54.463 54.000 -0.342 0.000 0.639 46 D CB 0.145 40.667 40.800 -0.463 0.000 1.003 46 D HN 0.454 nan 8.370 nan 0.000 0.411 47 P HA -0.139 nan 4.420 nan 0.000 0.225 47 P C 0.839 178.117 177.300 -0.035 0.000 1.148 47 P CA 0.951 64.009 63.100 -0.070 0.000 0.779 47 P CB 0.183 31.845 31.700 -0.064 0.000 0.780 48 E N -0.403 119.780 120.200 -0.029 0.000 2.481 48 E HA 0.043 4.394 4.350 0.001 0.000 0.195 48 E C 1.021 177.627 176.600 0.009 0.000 1.047 48 E CA 0.394 56.792 56.400 -0.002 0.000 0.867 48 E CB -0.048 29.659 29.700 0.011 0.000 0.858 48 E HN 0.233 nan 8.360 nan 0.000 0.513 49 S N 0.558 116.242 115.700 -0.027 0.000 2.568 49 S HA 0.135 4.605 4.470 0.001 0.000 0.232 49 S C 0.139 174.754 174.600 0.024 0.000 0.975 49 S CA -0.363 57.824 58.200 -0.022 0.000 0.949 49 S CB 0.107 63.154 63.200 -0.255 0.000 0.829 49 S HN 0.223 nan 8.310 nan 0.000 0.479 50 R N 0.528 121.049 120.500 0.034 0.000 2.716 50 R HA 0.502 4.842 4.340 0.001 0.000 0.271 50 R C -0.668 175.648 176.300 0.026 0.000 1.028 50 R CA -1.082 55.057 56.100 0.066 0.000 0.883 50 R CB 0.648 30.998 30.300 0.083 0.000 1.250 50 R HN 0.205 nan 8.270 nan 0.000 0.465 51 M N 0.848 120.452 119.600 0.007 0.000 2.252 51 M HA 0.303 4.784 4.480 0.001 0.000 0.333 51 M C -0.325 175.975 176.300 0.001 0.000 1.111 51 M CA 0.033 55.326 55.300 -0.011 0.000 1.140 51 M CB 0.547 33.120 32.600 -0.044 0.000 1.538 51 M HN 0.429 nan 8.290 nan 0.000 0.448 52 R N 1.297 121.799 120.500 0.004 0.000 2.738 52 R HA 0.120 4.461 4.340 0.001 0.000 0.268 52 R C 1.037 177.364 176.300 0.046 0.000 1.062 52 R CA -0.609 55.501 56.100 0.016 0.000 1.158 52 R CB 0.374 30.680 30.300 0.010 0.000 1.046 52 R HN 0.776 nan 8.270 nan 0.000 0.493 53 L N 1.846 123.116 121.223 0.078 0.000 2.083 53 L HA -0.160 4.181 4.340 0.001 0.000 0.209 53 L C 1.707 178.631 176.870 0.090 0.000 1.083 53 L CA 1.889 56.797 54.840 0.113 0.000 0.752 53 L CB -0.385 41.782 42.059 0.180 0.000 0.899 53 L HN 0.556 nan 8.230 nan 0.000 0.433 54 E N -0.205 120.040 120.200 0.075 0.000 2.333 54 E HA -0.075 4.275 4.350 0.001 0.000 0.198 54 E C 1.852 178.513 176.600 0.101 0.000 1.007 54 E CA 0.971 57.417 56.400 0.077 0.000 0.845 54 E CB -0.120 29.612 29.700 0.054 0.000 0.766 54 E HN 0.638 nan 8.360 nan 0.000 0.507 55 A N 0.297 123.171 122.820 0.089 0.000 2.308 55 A HA 0.057 4.378 4.320 0.001 0.000 0.217 55 A C 1.923 179.625 177.584 0.197 0.000 1.216 55 A CA -0.142 51.971 52.037 0.127 0.000 0.864 55 A CB -0.104 18.914 19.000 0.030 0.000 0.902 55 A HN 0.174 nan 8.150 nan 0.000 0.499 56 L N 0.979 122.288 121.223 0.143 0.000 2.021 56 L HA -0.091 4.250 4.340 0.001 0.000 0.215 56 L C -0.836 176.124 176.870 0.150 0.000 1.074 56 L CA 2.549 57.474 54.840 0.141 0.000 0.760 56 L CB -1.221 40.908 42.059 0.117 0.000 0.889 56 L HN 0.145 nan 8.230 nan 0.000 0.433 57 P HA -0.196 nan 4.420 nan 0.000 0.217 57 P C 1.497 178.742 177.300 -0.092 0.000 1.148 57 P CA 1.699 64.798 63.100 -0.003 0.000 0.828 57 P CB -0.156 31.545 31.700 0.003 0.000 0.783 58 F N -3.192 116.762 119.950 0.007 0.000 2.259 58 F HA -0.122 4.405 4.527 0.001 0.000 0.298 58 F C 2.377 178.176 175.800 -0.001 0.000 1.088 58 F CA 0.895 58.891 58.000 -0.007 0.000 1.358 58 F CB -0.793 38.206 39.000 -0.002 0.000 1.040 58 F HN -0.086 nan 8.300 nan 0.000 0.505 59 Y N 0.788 121.107 120.300 0.031 0.000 2.133 59 Y HA -0.180 4.370 4.550 0.001 0.000 0.287 59 Y C 2.030 177.838 175.900 -0.154 0.000 1.134 59 Y CA 1.448 59.511 58.100 -0.061 0.000 1.133 59 Y CB -0.633 37.808 38.460 -0.032 0.000 0.987 59 Y HN -0.065 nan 8.280 nan 0.000 0.502 60 L N -0.390 120.753 121.223 -0.132 0.000 1.970 60 L HA -0.285 4.056 4.340 0.001 0.000 0.212 60 L C 2.554 179.236 176.870 -0.313 0.000 1.071 60 L CA 1.735 56.344 54.840 -0.385 0.000 0.751 60 L CB -0.968 40.796 42.059 -0.491 0.000 0.889 60 L HN 0.295 nan 8.230 nan 0.000 0.432 61 L N -0.323 120.754 121.223 -0.244 0.000 2.012 61 L HA -0.243 4.097 4.340 0.001 0.000 0.210 61 L C 2.915 179.664 176.870 -0.201 0.000 1.073 61 L CA 1.391 56.101 54.840 -0.216 0.000 0.748 61 L CB -0.781 41.109 42.059 -0.281 0.000 0.891 61 L HN 0.278 nan 8.230 nan 0.000 0.431 62 A N 0.043 122.735 122.820 -0.213 0.000 1.883 62 A HA -0.183 4.138 4.320 0.001 0.000 0.217 62 A C 2.227 179.655 177.584 -0.260 0.000 1.186 62 A CA 1.610 53.525 52.037 -0.204 0.000 0.624 62 A CB -0.803 18.083 19.000 -0.190 0.000 0.822 62 A HN 0.389 nan 8.150 nan 0.000 0.444 63 L N -0.863 120.136 121.223 -0.374 0.000 2.201 63 L HA -0.161 4.179 4.340 0.001 0.000 0.212 63 L C 2.494 179.232 176.870 -0.219 0.000 1.105 63 L CA 1.243 55.839 54.840 -0.407 0.000 0.775 63 L CB -0.542 41.156 42.059 -0.601 0.000 0.913 63 L HN 0.493 nan 8.230 nan 0.000 0.440 64 E N -0.062 120.036 120.200 -0.170 0.000 2.107 64 E HA -0.231 4.119 4.350 0.001 0.000 0.191 64 E C 2.198 178.758 176.600 -0.066 0.000 0.982 64 E CA 0.740 57.093 56.400 -0.079 0.000 0.809 64 E CB 0.039 29.709 29.700 -0.049 0.000 0.756 64 E HN 0.233 nan 8.360 nan 0.000 0.459 65 R N 0.922 121.370 120.500 -0.087 0.000 2.075 65 R HA -0.106 4.234 4.340 0.001 0.000 0.232 65 R C 2.096 178.371 176.300 -0.043 0.000 1.126 65 R CA 1.087 57.152 56.100 -0.059 0.000 0.963 65 R CB -0.612 29.649 30.300 -0.065 0.000 0.858 65 R HN -0.012 nan 8.270 nan 0.000 0.435 66 V N 0.954 120.826 119.914 -0.071 0.000 2.407 66 V HA -0.205 3.915 4.120 0.001 0.000 0.248 66 V C 2.541 178.628 176.094 -0.010 0.000 1.055 66 V CA 2.178 64.455 62.300 -0.038 0.000 1.049 66 V CB -0.606 31.158 31.823 -0.100 0.000 0.662 66 V HN 0.390 nan 8.190 nan 0.000 0.455 67 R N 0.689 121.173 120.500 -0.026 0.000 2.073 67 R HA -0.214 4.126 4.340 0.001 0.000 0.234 67 R C 2.383 178.692 176.300 0.016 0.000 1.134 67 R CA 2.042 58.143 56.100 0.003 0.000 0.952 67 R CB -0.219 30.082 30.300 0.002 0.000 0.850 67 R HN 0.808 nan 8.270 nan 0.000 0.433 68 E N -0.366 119.838 120.200 0.006 0.000 2.268 68 E HA -0.175 4.176 4.350 0.001 0.000 0.195 68 E C 1.735 178.342 176.600 0.013 0.000 0.995 68 E CA 0.783 57.189 56.400 0.011 0.000 0.836 68 E CB -0.089 29.613 29.700 0.003 0.000 0.763 68 E HN 0.303 nan 8.360 nan 0.000 0.491 69 R N 0.480 120.988 120.500 0.012 0.000 2.299 69 R HA 0.187 4.527 4.340 0.001 0.000 0.197 69 R C 0.564 176.877 176.300 0.021 0.000 0.971 69 R CA 0.665 56.775 56.100 0.016 0.000 1.030 69 R CB 0.459 30.770 30.300 0.018 0.000 0.932 69 R HN 0.125 nan 8.270 nan 0.000 0.477 70 A N 0.873 123.709 122.820 0.026 0.000 3.219 70 A HA 0.147 4.468 4.320 0.001 0.000 0.314 70 A C 0.799 178.402 177.584 0.032 0.000 1.081 70 A CA -0.575 51.480 52.037 0.030 0.000 0.995 70 A CB 0.333 19.357 19.000 0.040 0.000 1.067 70 A HN 0.059 nan 8.150 nan 0.000 0.533 71 Q N 1.204 121.020 119.800 0.027 0.000 2.173 71 Q HA -0.250 4.091 4.340 0.001 0.000 0.208 71 Q C 1.068 177.087 176.000 0.032 0.000 0.989 71 Q CA 1.913 57.734 55.803 0.030 0.000 0.872 71 Q CB -0.311 28.440 28.738 0.021 0.000 0.909 71 Q HN 0.950 nan 8.270 nan 0.000 0.420 72 D N -0.220 120.194 120.400 0.024 0.000 2.350 72 D HA -0.073 4.568 4.640 0.001 0.000 0.216 72 D C 0.765 177.079 176.300 0.024 0.000 0.968 72 D CA 0.422 54.433 54.000 0.019 0.000 0.894 72 D CB 0.026 40.832 40.800 0.010 0.000 0.909 72 D HN 0.192 nan 8.370 nan 0.000 0.520 73 L N -0.731 120.513 121.223 0.036 0.000 2.301 73 L HA 0.344 4.685 4.340 0.001 0.000 0.264 73 L C -0.852 176.076 176.870 0.098 0.000 1.016 73 L CA -1.585 53.279 54.840 0.041 0.000 0.821 73 L CB 1.816 43.881 42.059 0.010 0.000 1.346 73 L HN -0.144 nan 8.230 nan 0.000 0.429 74 Y N 1.384 121.661 120.300 -0.039 0.000 2.327 74 Y HA 0.488 5.038 4.550 0.001 0.000 0.336 74 Y C -0.750 175.150 175.900 0.000 0.000 1.035 74 Y CA -0.950 57.140 58.100 -0.017 0.000 1.165 74 Y CB 1.097 39.524 38.460 -0.055 0.000 1.181 74 Y HN 0.135 nan 8.280 nan 0.000 0.494 75 V N 7.391 127.060 119.914 -0.408 0.000 2.304 75 V HA 0.473 4.593 4.120 0.001 0.000 0.278 75 V C 0.574 176.340 176.094 -0.546 0.000 1.018 75 V CA -0.576 61.492 62.300 -0.386 0.000 0.814 75 V CB 0.818 32.611 31.823 -0.049 0.000 1.021 75 V HN 1.043 nan 8.190 nan 0.000 0.440 76 G N 4.508 112.836 108.800 -0.786 0.000 2.444 76 G HA2 0.642 4.603 3.960 0.001 0.000 0.268 76 G HA3 0.642 4.603 3.960 0.001 0.000 0.268 76 G C -0.423 174.508 174.900 0.053 0.000 1.203 76 G CA -0.484 44.425 45.100 -0.318 0.000 0.835 76 G HN 0.640 nan 8.290 nan 0.000 0.543 77 I N 2.683 123.366 120.570 0.189 0.000 2.460 77 I HA 0.392 4.563 4.170 0.001 0.000 0.277 77 I C 0.806 177.193 176.117 0.450 0.000 1.057 77 I CA -0.370 61.067 61.300 0.229 0.000 1.179 77 I CB 1.084 39.182 38.000 0.163 0.000 1.329 77 I HN 0.594 nan 8.210 nan 0.000 0.478 78 G N 6.183 115.243 108.800 0.434 0.000 3.209 78 G HA2 0.908 4.868 3.960 0.001 0.000 0.236 78 G HA3 0.908 4.868 3.960 0.001 0.000 0.236 78 G C -1.027 174.009 174.900 0.226 0.000 1.329 78 G CA -0.566 44.779 45.100 0.409 0.000 1.015 78 G HN 0.321 nan 8.290 nan 0.000 0.571 79 L N -0.753 120.420 121.223 -0.084 0.000 2.518 79 L HA 0.428 4.768 4.340 0.001 0.000 0.257 79 L C -1.111 175.564 176.870 -0.324 0.000 0.980 79 L CA -0.677 54.015 54.840 -0.246 0.000 0.837 79 L CB 3.012 44.786 42.059 -0.475 0.000 1.410 79 L HN 0.659 nan 8.230 nan 0.000 0.410 80 E N 1.697 121.723 120.200 -0.291 0.000 2.063 80 E HA 0.619 4.969 4.350 0.001 0.000 0.265 80 E C -0.940 175.583 176.600 -0.129 0.000 0.919 80 E CA -0.459 55.777 56.400 -0.273 0.000 0.756 80 E CB 1.468 31.051 29.700 -0.195 0.000 1.120 80 E HN 0.624 nan 8.360 nan 0.000 0.414 81 A N 4.410 127.129 122.820 -0.168 0.000 2.303 81 A HA 0.379 4.699 4.320 0.001 0.000 0.317 81 A C -0.650 176.897 177.584 -0.062 0.000 1.149 81 A CA -0.713 51.292 52.037 -0.054 0.000 0.822 81 A CB 0.908 19.948 19.000 0.066 0.000 1.131 81 A HN 0.696 nan 8.150 nan 0.000 0.493 82 D N 0.325 120.738 120.400 0.022 0.000 2.210 82 D HA 0.453 5.093 4.640 0.001 0.000 0.249 82 D C -0.959 175.354 176.300 0.022 0.000 1.062 82 D CA 0.381 54.395 54.000 0.023 0.000 0.891 82 D CB 0.934 41.767 40.800 0.055 0.000 1.186 82 D HN 0.335 nan 8.370 nan 0.000 0.432 83 F N 2.936 122.861 119.950 -0.041 0.000 2.405 83 F HA 0.415 4.942 4.527 0.001 0.000 0.355 83 F C -0.835 175.037 175.800 0.121 0.000 1.121 83 F CA -0.506 57.556 58.000 0.102 0.000 1.112 83 F CB 0.577 39.642 39.000 0.108 0.000 1.126 83 F HN 0.306 nan 8.300 nan 0.000 0.481 84 H N 6.430 124.869 119.070 -1.053 0.000 3.096 84 H HA 0.413 4.969 4.556 0.001 0.000 0.335 84 H C -2.855 172.023 175.328 -0.750 0.000 0.990 84 H CA -2.253 53.379 56.048 -0.693 0.000 1.393 84 H CB 1.768 31.294 29.762 -0.392 0.000 1.742 84 H HN 0.333 nan 8.280 nan 0.000 0.501 85 P HA 0.081 nan 4.420 nan 0.000 0.261 85 P C 0.801 177.926 177.300 -0.291 0.000 1.173 85 P CA 2.305 65.103 63.100 -0.503 0.000 0.760 85 P CB 0.605 32.127 31.700 -0.296 0.000 0.783 86 G N 2.376 111.100 108.800 -0.127 0.000 2.254 86 G HA2 -0.271 3.689 3.960 0.001 0.000 0.225 86 G HA3 -0.271 3.689 3.960 0.001 0.000 0.225 86 G C 0.842 175.773 174.900 0.052 0.000 1.003 86 G CA 0.405 45.497 45.100 -0.013 0.000 0.622 86 G HN 0.634 nan 8.290 nan 0.000 0.507 87 T N -1.087 113.468 114.554 0.002 0.000 3.122 87 T HA 0.417 4.767 4.350 0.001 0.000 0.250 87 T C 1.507 176.245 174.700 0.063 0.000 1.067 87 T CA 1.117 63.232 62.100 0.025 0.000 0.966 87 T CB 0.400 69.184 68.868 -0.138 0.000 1.002 87 T HN 0.315 nan 8.240 nan 0.000 0.542 88 E N 1.767 121.995 120.200 0.048 0.000 2.153 88 E HA 0.068 4.418 4.350 0.001 0.000 0.194 88 E C 2.334 178.974 176.600 0.066 0.000 0.988 88 E CA 1.198 57.641 56.400 0.073 0.000 0.811 88 E CB -0.749 29.005 29.700 0.090 0.000 0.746 88 E HN 0.644 nan 8.360 nan 0.000 0.466 89 G N 0.196 109.045 108.800 0.082 0.000 2.408 89 G HA2 -0.265 3.696 3.960 0.001 0.000 0.217 89 G HA3 -0.265 3.696 3.960 0.001 0.000 0.217 89 G C 1.409 176.349 174.900 0.067 0.000 1.150 89 G CA 0.468 45.607 45.100 0.064 0.000 0.776 89 G HN 0.293 nan 8.290 nan 0.000 0.542 90 F N 0.648 120.592 119.950 -0.009 0.000 2.102 90 F HA -0.015 4.512 4.527 0.001 0.000 0.298 90 F C 2.337 178.121 175.800 -0.025 0.000 1.105 90 F CA 0.949 58.938 58.000 -0.019 0.000 1.239 90 F CB -0.176 38.797 39.000 -0.045 0.000 0.991 90 F HN 0.054 nan 8.300 nan 0.000 0.474 91 L N 0.832 122.153 121.223 0.164 0.000 2.012 91 L HA -0.158 4.183 4.340 0.001 0.000 0.210 91 L C 2.748 179.588 176.870 -0.051 0.000 1.073 91 L CA 2.037 56.917 54.840 0.067 0.000 0.748 91 L CB -1.754 40.369 42.059 0.107 0.000 0.891 91 L HN 0.277 nan 8.230 nan 0.000 0.431 92 A N -1.455 121.336 122.820 -0.048 0.000 1.892 92 A HA -0.278 4.043 4.320 0.001 0.000 0.218 92 A C 2.161 179.708 177.584 -0.063 0.000 1.188 92 A CA 1.788 53.790 52.037 -0.057 0.000 0.631 92 A CB -0.557 18.417 19.000 -0.044 0.000 0.822 92 A HN 0.572 nan 8.150 nan 0.000 0.447 93 Q N -1.118 118.617 119.800 -0.108 0.000 2.077 93 Q HA -0.223 4.117 4.340 0.001 0.000 0.206 93 Q C 2.198 178.123 176.000 -0.124 0.000 0.989 93 Q CA 1.747 57.473 55.803 -0.128 0.000 0.853 93 Q CB -0.448 28.165 28.738 -0.209 0.000 0.907 93 Q HN 0.677 nan 8.270 nan 0.000 0.418 94 L N 0.454 121.556 121.223 -0.202 0.000 2.017 94 L HA -0.148 4.192 4.340 0.001 0.000 0.208 94 L C 2.096 179.043 176.870 0.128 0.000 1.073 94 L CA 1.495 56.272 54.840 -0.105 0.000 0.745 94 L CB -0.402 41.540 42.059 -0.194 0.000 0.894 94 L HN 0.130 nan 8.230 nan 0.000 0.432 95 L N 0.108 121.393 121.223 0.104 0.000 2.275 95 L HA -0.111 4.229 4.340 0.001 0.000 0.215 95 L C 2.405 179.416 176.870 0.236 0.000 1.119 95 L CA 1.114 56.101 54.840 0.245 0.000 0.790 95 L CB -0.615 41.503 42.059 0.098 0.000 0.919 95 L HN 0.452 nan 8.230 nan 0.000 0.443 96 R N -0.580 119.988 120.500 0.113 0.000 2.334 96 R HA 0.057 4.398 4.340 0.001 0.000 0.220 96 R C 1.659 177.999 176.300 0.067 0.000 0.917 96 R CA -0.055 56.090 56.100 0.075 0.000 1.073 96 R CB -0.110 30.207 30.300 0.029 0.000 1.056 96 R HN 0.244 nan 8.270 nan 0.000 0.506 97 R N -0.227 120.339 120.500 0.110 0.000 2.240 97 R HA 0.072 4.412 4.340 0.001 0.000 0.203 97 R C -0.490 175.866 176.300 0.093 0.000 1.011 97 R CA 0.701 56.853 56.100 0.088 0.000 1.007 97 R CB 0.197 30.558 30.300 0.102 0.000 0.911 97 R HN 0.183 nan 8.270 nan 0.000 0.468 98 Y N -0.031 120.171 120.300 -0.165 0.000 2.592 98 Y HA 0.226 4.776 4.550 0.001 0.000 0.334 98 Y C -2.486 173.201 175.900 -0.356 0.000 1.136 98 Y CA -2.310 55.562 58.100 -0.381 0.000 1.042 98 Y CB 2.184 40.172 38.460 -0.787 0.000 1.325 98 Y HN -0.155 nan 8.280 nan 0.000 0.457 99 P HA 0.167 nan 4.420 nan 0.000 0.231 99 P C -0.861 176.399 177.300 -0.068 0.000 1.811 99 P CA 0.212 63.150 63.100 -0.270 0.000 1.051 99 P CB -0.857 30.654 31.700 -0.316 0.000 1.951 100 F N 1.535 121.662 119.950 0.294 0.000 2.607 100 F HA -0.041 4.486 4.527 0.001 0.000 0.374 100 F C 1.866 177.858 175.800 0.320 0.000 1.104 100 F CA 0.739 58.963 58.000 0.374 0.000 1.296 100 F CB 0.158 39.344 39.000 0.311 0.000 1.085 100 F HN 0.203 nan 8.300 nan 0.000 0.584 101 D N 1.082 121.794 120.400 0.520 0.000 2.144 101 D HA -0.187 4.454 4.640 0.001 0.000 0.200 101 D C -0.270 176.336 176.300 0.509 0.000 0.978 101 D CA 1.738 56.007 54.000 0.448 0.000 0.833 101 D CB 0.094 41.168 40.800 0.456 0.000 0.961 101 D HN 0.405 nan 8.370 nan 0.000 0.470 102 Y N -0.037 120.469 120.300 0.342 0.000 2.482 102 Y HA 0.337 4.887 4.550 0.001 0.000 0.334 102 Y C -1.762 174.267 175.900 0.214 0.000 1.091 102 Y CA -1.112 57.128 58.100 0.234 0.000 1.027 102 Y CB 1.382 39.928 38.460 0.144 0.000 1.306 102 Y HN -0.393 nan 8.280 nan 0.000 0.446 103 V N 7.842 127.741 119.914 -0.026 0.000 2.409 103 V HA 0.444 4.564 4.120 0.001 0.000 0.290 103 V C -0.194 175.559 176.094 -0.569 0.000 1.017 103 V CA -0.737 61.363 62.300 -0.333 0.000 0.841 103 V CB 1.291 32.993 31.823 -0.202 0.000 1.003 103 V HN 0.674 nan 8.190 nan 0.000 0.426 104 I N 3.637 123.773 120.570 -0.723 0.000 2.396 104 I HA 0.567 4.738 4.170 0.001 0.000 0.292 104 I C 0.971 176.708 176.117 -0.633 0.000 0.999 104 I CA 0.025 60.915 61.300 -0.682 0.000 1.310 104 I CB 1.513 39.092 38.000 -0.702 0.000 1.404 104 I HN 0.704 nan 8.210 nan 0.000 0.496 105 G N 4.020 112.309 108.800 -0.851 0.000 2.384 105 G HA2 0.538 4.498 3.960 0.001 0.000 0.316 105 G HA3 0.538 4.498 3.960 0.001 0.000 0.316 105 G C -0.800 173.585 174.900 -0.859 0.000 1.160 105 G CA -0.202 43.912 45.100 -1.643 0.000 0.936 105 G HN 0.538 nan 8.290 nan 0.000 0.455 106 S N 0.359 115.703 115.700 -0.593 0.000 2.536 106 S HA 0.589 5.060 4.470 0.001 0.000 0.298 106 S C -0.313 174.108 174.600 -0.299 0.000 1.083 106 S CA -0.528 57.417 58.200 -0.424 0.000 0.995 106 S CB 2.158 65.103 63.200 -0.426 0.000 1.058 106 S HN 0.442 nan 8.310 nan 0.000 0.488 107 V N 2.804 122.586 119.914 -0.220 0.000 2.370 107 V HA 0.347 4.468 4.120 0.001 0.000 0.283 107 V C -0.242 175.845 176.094 -0.011 0.000 1.023 107 V CA -0.226 62.021 62.300 -0.088 0.000 0.857 107 V CB 1.097 32.741 31.823 -0.298 0.000 0.985 107 V HN 1.020 nan 8.190 nan 0.000 0.443 108 H N 2.468 121.741 119.070 0.337 0.000 3.205 108 H HA 0.321 4.878 4.556 0.001 0.000 0.252 108 H C -0.697 174.673 175.328 0.070 0.000 1.015 108 H CA 0.024 56.212 56.048 0.233 0.000 1.192 108 H CB 0.759 30.666 29.762 0.241 0.000 1.474 108 H HN 0.523 nan 8.280 nan 0.000 0.484 109 Y N 0.845 121.257 120.300 0.186 0.000 2.409 109 Y HA 0.430 4.981 4.550 0.001 0.000 0.339 109 Y C -0.605 175.377 175.900 0.136 0.000 1.033 109 Y CA -1.037 57.114 58.100 0.086 0.000 1.094 109 Y CB 1.552 40.055 38.460 0.073 0.000 1.210 109 Y HN -0.057 nan 8.280 nan 0.000 0.456 110 L N 3.199 124.544 121.223 0.203 0.000 2.316 110 L HA 0.541 4.881 4.340 0.001 0.000 0.280 110 L C 0.739 177.794 176.870 0.307 0.000 1.006 110 L CA -0.316 54.669 54.840 0.243 0.000 0.836 110 L CB 0.935 43.129 42.059 0.224 0.000 1.221 110 L HN 0.971 nan 8.230 nan 0.000 0.418 111 G N 3.143 112.127 108.800 0.307 0.000 2.583 111 G HA2 -0.368 3.592 3.960 0.001 0.000 0.292 111 G HA3 -0.368 3.592 3.960 0.001 0.000 0.292 111 G C 0.645 175.763 174.900 0.363 0.000 1.203 111 G CA 0.422 45.688 45.100 0.277 0.000 0.987 111 G HN 0.830 nan 8.290 nan 0.000 0.554 112 A N -1.136 121.854 122.820 0.283 0.000 2.308 112 A HA 0.463 4.784 4.320 0.001 0.000 0.217 112 A C 0.571 178.354 177.584 0.332 0.000 1.216 112 A CA 1.052 53.278 52.037 0.314 0.000 0.864 112 A CB -0.104 18.978 19.000 0.136 0.000 0.902 112 A HN 1.329 nan 8.150 nan 0.000 0.499 113 W N 2.941 124.240 121.300 -0.001 0.000 2.332 113 W HA 0.484 5.145 4.660 0.001 0.000 0.306 113 W C -2.835 173.378 176.519 -0.510 0.000 1.149 113 W CA -3.255 53.946 57.345 -0.240 0.000 1.271 113 W CB 1.122 30.460 29.460 -0.204 0.000 1.243 113 W HN -0.003 nan 8.180 nan 0.000 0.459 114 P HA -0.014 nan 4.420 nan 0.000 0.266 114 P C 0.925 177.643 177.300 -0.971 0.000 1.586 114 P CA 0.064 62.420 63.100 -1.241 0.000 1.088 114 P CB 0.146 31.295 31.700 -0.919 0.000 1.584 115 L N 1.709 122.168 121.223 -1.274 0.000 2.549 115 L HA -0.043 4.297 4.340 0.001 0.000 0.230 115 L C 0.719 177.367 176.870 -0.371 0.000 1.162 115 L CA 1.494 55.456 54.840 -1.464 0.000 0.834 115 L CB -0.650 40.478 42.059 -1.552 0.000 0.947 115 L HN 0.118 nan 8.230 nan 0.000 0.452 116 D N -2.588 117.697 120.400 -0.192 0.000 2.431 116 D HA -0.033 4.607 4.640 0.001 0.000 0.213 116 D C 0.403 176.845 176.300 0.238 0.000 1.130 116 D CA -0.313 53.715 54.000 0.048 0.000 0.834 116 D CB -0.438 40.261 40.800 -0.169 0.000 0.985 116 D HN 0.347 nan 8.370 nan 0.000 0.504 117 H N 1.848 120.959 119.070 0.068 0.000 2.690 117 H HA 0.187 4.743 4.556 0.001 0.000 0.314 117 H C -1.715 173.650 175.328 0.062 0.000 1.069 117 H CA -1.465 54.607 56.048 0.039 0.000 1.436 117 H CB 1.959 31.733 29.762 0.021 0.000 1.462 117 H HN -0.145 nan 8.280 nan 0.000 0.511 118 P HA -0.086 nan 4.420 nan 0.000 0.220 118 P C 0.772 177.994 177.300 -0.130 0.000 1.148 118 P CA 0.827 63.895 63.100 -0.054 0.000 0.803 118 P CB 0.516 32.245 31.700 0.048 0.000 0.782 119 D N -1.966 118.418 120.400 -0.027 0.000 2.310 119 D HA -0.108 4.532 4.640 0.001 0.000 0.212 119 D C 0.897 176.802 176.300 -0.658 0.000 0.965 119 D CA 1.130 54.882 54.000 -0.415 0.000 0.879 119 D CB -0.335 40.057 40.800 -0.680 0.000 0.921 119 D HN 0.367 nan 8.370 nan 0.000 0.510 120 H N -0.289 118.739 119.070 -0.070 0.000 2.567 120 H HA 0.121 4.677 4.556 0.001 0.000 0.267 120 H C 1.290 176.708 175.328 0.149 0.000 1.148 120 H CA 0.044 56.106 56.048 0.025 0.000 1.031 120 H CB 0.292 30.110 29.762 0.093 0.000 1.691 120 H HN 0.359 nan 8.280 nan 0.000 0.588 121 Q N 0.185 119.989 119.800 0.005 0.000 2.369 121 Q HA -0.066 4.275 4.340 0.001 0.000 0.206 121 Q C 1.689 177.841 176.000 0.254 0.000 0.963 121 Q CA 1.347 57.166 55.803 0.027 0.000 0.894 121 Q CB -0.232 28.014 28.738 -0.821 0.000 0.965 121 Q HN 0.413 nan 8.270 nan 0.000 0.475 122 E N 2.069 122.350 120.200 0.134 0.000 2.333 122 E HA -0.204 4.147 4.350 0.001 0.000 0.198 122 E C 1.594 178.326 176.600 0.221 0.000 1.007 122 E CA 1.249 57.747 56.400 0.164 0.000 0.845 122 E CB -0.548 29.219 29.700 0.111 0.000 0.766 122 E HN 0.648 nan 8.360 nan 0.000 0.507 123 E N -0.982 119.288 120.200 0.116 0.000 2.338 123 E HA -0.108 4.243 4.350 0.001 0.000 0.197 123 E C 1.355 177.844 176.600 -0.185 0.000 1.007 123 E CA 0.803 57.091 56.400 -0.187 0.000 0.849 123 E CB -0.535 28.644 29.700 -0.868 0.000 0.774 123 E HN 0.762 nan 8.360 nan 0.000 0.506 124 Y N -0.192 120.131 120.300 0.038 0.000 2.224 124 Y HA -0.113 4.437 4.550 0.001 0.000 0.289 124 Y C 2.278 178.151 175.900 -0.045 0.000 1.146 124 Y CA 1.277 59.365 58.100 -0.019 0.000 1.182 124 Y CB -0.447 37.917 38.460 -0.159 0.000 0.983 124 Y HN 0.187 nan 8.280 nan 0.000 0.524 125 A N -1.430 121.473 122.820 0.139 0.000 2.125 125 A HA -0.170 4.151 4.320 0.001 0.000 0.219 125 A C 1.169 178.647 177.584 -0.176 0.000 1.156 125 A CA 1.175 53.198 52.037 -0.023 0.000 0.671 125 A CB -1.042 17.913 19.000 -0.076 0.000 0.794 125 A HN 0.682 nan 8.150 nan 0.000 0.459 126 W N -0.121 121.103 121.300 -0.126 0.000 3.278 126 W HA 0.264 4.924 4.660 0.001 0.000 0.308 126 W C 0.717 177.137 176.519 -0.165 0.000 1.253 126 W CA -0.326 56.928 57.345 -0.153 0.000 1.759 126 W CB 0.438 29.771 29.460 -0.211 0.000 1.093 126 W HN -0.003 nan 8.180 nan 0.000 0.648 127 R N 0.427 120.931 120.500 0.006 0.000 2.873 127 R HA 0.242 4.582 4.340 0.001 0.000 0.264 127 R C -1.136 175.179 176.300 0.026 0.000 1.026 127 R CA -0.901 55.187 56.100 -0.021 0.000 1.002 127 R CB 0.907 31.138 30.300 -0.115 0.000 1.174 127 R HN -0.173 nan 8.270 nan 0.000 0.488 128 D N 1.053 121.481 120.400 0.048 0.000 2.325 128 D HA 0.043 4.683 4.640 0.001 0.000 0.251 128 D C 1.117 177.494 176.300 0.127 0.000 1.196 128 D CA -0.370 53.676 54.000 0.077 0.000 0.866 128 D CB 0.836 41.681 40.800 0.076 0.000 1.101 128 D HN 0.317 nan 8.370 nan 0.000 0.476 129 L N 5.024 126.344 121.223 0.161 0.000 2.013 129 L HA -0.169 4.171 4.340 0.001 0.000 0.212 129 L C 2.082 179.155 176.870 0.338 0.000 1.073 129 L CA 1.977 56.974 54.840 0.261 0.000 0.753 129 L CB -0.568 41.656 42.059 0.276 0.000 0.890 129 L HN 0.571 nan 8.230 nan 0.000 0.432 130 K N -0.807 119.746 120.400 0.255 0.000 2.063 130 K HA -0.266 4.054 4.320 0.001 0.000 0.208 130 K C 2.130 178.880 176.600 0.251 0.000 1.048 130 K CA 1.665 58.103 56.287 0.252 0.000 0.928 130 K CB -0.206 32.389 32.500 0.160 0.000 0.713 130 K HN 0.331 nan 8.250 nan 0.000 0.442 131 E N 0.215 120.527 120.200 0.186 0.000 2.153 131 E HA -0.131 4.219 4.350 0.001 0.000 0.194 131 E C 1.697 178.398 176.600 0.170 0.000 0.988 131 E CA 1.185 57.681 56.400 0.160 0.000 0.811 131 E CB -0.182 29.588 29.700 0.116 0.000 0.746 131 E HN 0.169 nan 8.360 nan 0.000 0.466 132 V N 0.093 120.111 119.914 0.173 0.000 2.261 132 V HA -0.240 3.880 4.120 0.001 0.000 0.246 132 V C 2.046 178.167 176.094 0.045 0.000 1.047 132 V CA 2.047 64.421 62.300 0.122 0.000 1.015 132 V CB -0.626 31.264 31.823 0.112 0.000 0.642 132 V HN 0.263 nan 8.190 nan 0.000 0.446 133 F N 0.202 120.170 119.950 0.030 0.000 2.102 133 F HA -0.175 4.352 4.527 0.001 0.000 0.298 133 F C 2.647 178.396 175.800 -0.085 0.000 1.105 133 F CA 2.244 60.150 58.000 -0.156 0.000 1.239 133 F CB -0.503 38.436 39.000 -0.102 0.000 0.991 133 F HN -0.023 nan 8.300 nan 0.000 0.474 134 R N 0.604 121.292 120.500 0.313 0.000 2.094 134 R HA -0.240 4.100 4.340 0.001 0.000 0.239 134 R C 2.279 178.724 176.300 0.241 0.000 1.137 134 R CA 1.771 58.058 56.100 0.311 0.000 0.943 134 R CB -0.645 29.799 30.300 0.240 0.000 0.850 134 R HN 0.277 nan 8.270 nan 0.000 0.433 135 A N -0.294 122.634 122.820 0.180 0.000 1.930 135 A HA -0.196 4.125 4.320 0.001 0.000 0.217 135 A C 2.030 179.696 177.584 0.137 0.000 1.175 135 A CA 1.279 53.407 52.037 0.152 0.000 0.627 135 A CB -0.850 18.234 19.000 0.140 0.000 0.815 135 A HN 0.625 nan 8.150 nan 0.000 0.443 136 Y N -0.415 119.863 120.300 -0.035 0.000 2.114 136 Y HA -0.232 4.318 4.550 0.001 0.000 0.284 136 Y C 1.967 177.881 175.900 0.022 0.000 1.143 136 Y CA 2.122 60.160 58.100 -0.103 0.000 1.135 136 Y CB -0.488 37.757 38.460 -0.358 0.000 0.980 136 Y HN 0.294 nan 8.280 nan 0.000 0.499 137 F N 0.455 120.566 119.950 0.268 0.000 2.202 137 F HA -0.237 4.290 4.527 0.000 0.000 0.301 137 F C 2.537 178.374 175.800 0.062 0.000 1.082 137 F CA 1.581 59.682 58.000 0.169 0.000 1.313 137 F CB -1.233 37.904 39.000 0.228 0.000 1.024 137 F HN 0.163 nan 8.300 nan 0.000 0.495 138 Q N -0.025 119.926 119.800 0.251 0.000 2.084 138 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 138 Q C 2.243 178.302 176.000 0.099 0.000 0.978 138 Q CA 1.555 57.452 55.803 0.156 0.000 0.844 138 Q CB -0.043 28.780 28.738 0.141 0.000 0.898 138 Q HN 0.226 nan 8.270 nan 0.000 0.426 139 E N -0.485 119.749 120.200 0.057 0.000 2.106 139 E HA -0.134 4.216 4.350 0.001 0.000 0.192 139 E C 2.090 178.690 176.600 -0.001 0.000 0.984 139 E CA 0.916 57.357 56.400 0.069 0.000 0.806 139 E CB -0.162 29.544 29.700 0.011 0.000 0.750 139 E HN 0.212 nan 8.360 nan 0.000 0.458 140 V N 1.495 121.361 119.914 -0.080 0.000 2.407 140 V HA -0.254 3.866 4.120 0.001 0.000 0.248 140 V C 2.473 178.533 176.094 -0.056 0.000 1.055 140 V CA 2.029 64.288 62.300 -0.068 0.000 1.049 140 V CB -0.476 31.387 31.823 0.067 0.000 0.662 140 V HN 0.295 nan 8.190 nan 0.000 0.455 141 E N 0.414 120.614 120.200 0.000 0.000 2.058 141 E HA -0.276 4.075 4.350 0.001 0.000 0.194 141 E C 2.256 178.801 176.600 -0.093 0.000 0.997 141 E CA 1.630 58.018 56.400 -0.019 0.000 0.801 141 E CB -0.073 29.642 29.700 0.025 0.000 0.746 141 E HN 0.594 nan 8.360 nan 0.000 0.450 142 K N 0.038 120.372 120.400 -0.110 0.000 2.057 142 K HA -0.133 4.188 4.320 0.001 0.000 0.207 142 K C 2.206 178.424 176.600 -0.636 0.000 1.049 142 K CA 1.155 57.318 56.287 -0.208 0.000 0.931 142 K CB -0.190 32.321 32.500 0.019 0.000 0.714 142 K HN 0.159 nan 8.250 nan 0.000 0.440 143 A N 1.462 123.753 122.820 -0.882 0.000 1.933 143 A HA -0.097 4.223 4.320 0.001 0.000 0.218 143 A C 2.328 179.734 177.584 -0.295 0.000 1.175 143 A CA 1.787 53.235 52.037 -0.982 0.000 0.628 143 A CB -0.594 18.103 19.000 -0.504 0.000 0.814 143 A HN 0.342 nan 8.150 nan 0.000 0.444 144 A N -0.858 121.851 122.820 -0.185 0.000 2.066 144 A HA -0.037 4.284 4.320 0.001 0.000 0.218 144 A C 2.026 179.557 177.584 -0.088 0.000 1.157 144 A CA 0.930 52.927 52.037 -0.067 0.000 0.670 144 A CB -0.224 18.751 19.000 -0.042 0.000 0.804 144 A HN 0.372 nan 8.150 nan 0.000 0.453 145 R N 0.208 120.624 120.500 -0.140 0.000 2.300 145 R HA 0.028 4.368 4.340 0.001 0.000 0.199 145 R C 1.952 178.170 176.300 -0.136 0.000 0.920 145 R CA 1.034 57.068 56.100 -0.110 0.000 1.046 145 R CB -0.703 29.548 30.300 -0.082 0.000 0.984 145 R HN 0.670 nan 8.270 nan 0.000 0.493 146 S N -0.010 115.556 115.700 -0.222 0.000 2.515 146 S HA -0.021 4.450 4.470 0.001 0.000 0.231 146 S C 1.540 176.000 174.600 -0.233 0.000 0.987 146 S CA 0.774 58.839 58.200 -0.224 0.000 0.936 146 S CB -0.185 62.823 63.200 -0.319 0.000 0.766 146 S HN 0.459 nan 8.310 nan 0.000 0.528 147 G N 0.920 109.586 108.800 -0.223 0.000 2.166 147 G HA2 -0.260 3.701 3.960 0.001 0.000 0.260 147 G HA3 -0.260 3.701 3.960 0.001 0.000 0.260 147 G C 0.488 175.201 174.900 -0.311 0.000 0.986 147 G CA 0.738 45.721 45.100 -0.194 0.000 0.683 147 G HN 0.579 nan 8.290 nan 0.000 0.527 148 L N -1.850 119.004 121.223 -0.615 0.000 2.463 148 L HA 0.418 4.759 4.340 0.001 0.000 0.219 148 L C 0.695 177.062 176.870 -0.837 0.000 1.088 148 L CA 0.217 54.535 54.840 -0.869 0.000 0.849 148 L CB 0.040 41.275 42.059 -1.374 0.000 1.012 148 L HN 0.185 nan 8.230 nan 0.000 0.468 149 F N -2.876 116.944 119.950 -0.215 0.000 2.579 149 F HA 0.338 4.865 4.527 0.001 0.000 0.324 149 F C 1.047 176.670 175.800 -0.295 0.000 1.058 149 F CA -1.050 56.758 58.000 -0.319 0.000 0.944 149 F CB 0.815 39.676 39.000 -0.232 0.000 1.245 149 F HN -0.178 nan 8.300 nan 0.000 0.477 150 H N 0.112 119.198 119.070 0.025 0.000 2.525 150 H HA 0.627 5.184 4.556 0.001 0.000 0.275 150 H C 0.131 175.466 175.328 0.011 0.000 0.984 150 H CA 0.612 56.612 56.048 -0.081 0.000 1.264 150 H CB 0.493 29.914 29.762 -0.569 0.000 1.432 150 H HN 0.594 nan 8.280 nan 0.000 0.549 151 A N 0.493 123.355 122.820 0.070 0.000 2.612 151 A HA 0.450 4.771 4.320 0.001 0.000 0.293 151 A C -1.628 175.930 177.584 -0.043 0.000 1.075 151 A CA -0.742 51.360 52.037 0.107 0.000 0.680 151 A CB 1.256 20.375 19.000 0.198 0.000 1.279 151 A HN 0.008 nan 8.150 nan 0.000 0.411 152 I N 2.050 122.616 120.570 -0.007 0.000 2.315 152 I HA 0.396 4.567 4.170 0.001 0.000 0.291 152 I C 1.160 177.210 176.117 -0.111 0.000 1.006 152 I CA -0.025 61.218 61.300 -0.095 0.000 1.265 152 I CB 0.503 38.492 38.000 -0.018 0.000 1.387 152 I HN 0.819 nan 8.210 nan 0.000 0.475 153 G N 4.819 113.451 108.800 -0.280 0.000 2.527 153 G HA2 0.189 4.149 3.960 0.001 0.000 0.248 153 G HA3 0.189 4.149 3.960 0.001 0.000 0.248 153 G C 0.051 174.698 174.900 -0.422 0.000 1.231 153 G CA -0.343 44.495 45.100 -0.436 0.000 0.838 153 G HN 0.924 nan 8.290 nan 0.000 0.570 154 H N -0.206 118.909 119.070 0.074 0.000 1.538 154 H HA -0.193 4.363 4.556 0.001 0.000 0.323 154 H C 1.131 176.489 175.328 0.049 0.000 0.765 154 H CA 0.407 56.419 56.048 -0.060 0.000 1.086 154 H CB -1.188 28.237 29.762 -0.562 0.000 1.467 154 H HN 0.386 nan 8.280 nan 0.000 0.243 155 L N 1.297 122.709 121.223 0.315 0.000 2.021 155 L HA -0.198 4.143 4.340 0.001 0.000 0.215 155 L C 1.477 178.721 176.870 0.625 0.000 1.074 155 L CA 2.510 57.614 54.840 0.439 0.000 0.760 155 L CB -0.334 41.939 42.059 0.357 0.000 0.889 155 L HN 0.862 nan 8.230 nan 0.000 0.433 156 D N -1.161 119.552 120.400 0.521 0.000 2.894 156 D HA -0.010 4.630 4.640 0.001 0.000 0.248 156 D C 1.773 178.184 176.300 0.185 0.000 1.291 156 D CA -0.271 54.028 54.000 0.498 0.000 0.840 156 D CB -0.549 40.627 40.800 0.627 0.000 1.044 156 D HN 0.257 nan 8.370 nan 0.000 0.484 157 L N 0.870 121.960 121.223 -0.221 0.000 2.103 157 L HA -0.102 4.239 4.340 0.001 0.000 0.215 157 L C -0.889 175.678 176.870 -0.506 0.000 1.080 157 L CA 2.083 56.598 54.840 -0.542 0.000 0.764 157 L CB -1.319 40.287 42.059 -0.756 0.000 0.890 157 L HN 0.044 nan 8.230 nan 0.000 0.435 158 P HA -0.197 nan 4.420 nan 0.000 0.223 158 P C 1.051 178.187 177.300 -0.272 0.000 1.144 158 P CA 1.631 64.300 63.100 -0.717 0.000 0.783 158 P CB -0.192 30.564 31.700 -1.574 0.000 0.771 159 K N 0.174 120.589 120.400 0.026 0.000 2.366 159 K HA -0.054 4.267 4.320 0.001 0.000 0.198 159 K C 1.922 178.513 176.600 -0.015 0.000 1.044 159 K CA 0.581 56.991 56.287 0.204 0.000 0.973 159 K CB -0.371 32.316 32.500 0.311 0.000 0.767 159 K HN -0.104 nan 8.250 nan 0.000 0.475 160 K N 0.951 121.286 120.400 -0.108 0.000 2.081 160 K HA -0.223 4.098 4.320 0.001 0.000 0.222 160 K C 0.617 176.888 176.600 -0.547 0.000 1.055 160 K CA 2.152 58.229 56.287 -0.350 0.000 0.954 160 K CB -0.327 31.778 32.500 -0.658 0.000 0.732 160 K HN 0.270 nan 8.250 nan 0.000 0.458 161 F N 0.242 120.105 119.950 -0.145 0.000 2.695 161 F HA 0.236 4.763 4.527 0.001 0.000 0.301 161 F C 1.265 176.793 175.800 -0.454 0.000 1.182 161 F CA 0.589 58.447 58.000 -0.237 0.000 1.412 161 F CB 0.359 39.248 39.000 -0.185 0.000 1.056 161 F HN 0.421 nan 8.300 nan 0.000 0.522 162 G N 0.051 108.688 108.800 -0.272 0.000 2.132 162 G HA2 -0.243 3.718 3.960 0.001 0.000 0.228 162 G HA3 -0.243 3.718 3.960 0.001 0.000 0.228 162 G C -0.119 174.589 174.900 -0.321 0.000 1.000 162 G CA -0.494 44.443 45.100 -0.271 0.000 0.693 162 G HN 0.487 nan 8.290 nan 0.000 0.515 163 H N 0.640 119.700 119.070 -0.017 0.000 2.572 163 H HA 0.348 4.904 4.556 0.001 0.000 0.248 163 H C 0.864 176.313 175.328 0.201 0.000 1.397 163 H CA -0.423 55.661 56.048 0.060 0.000 1.319 163 H CB 0.396 30.163 29.762 0.008 0.000 1.452 163 H HN 0.330 nan 8.280 nan 0.000 0.535 164 R N 1.589 122.212 120.500 0.205 0.000 2.459 164 R HA 0.424 4.764 4.340 0.001 0.000 0.281 164 R C 0.181 176.500 176.300 0.031 0.000 1.050 164 R CA -0.622 55.555 56.100 0.129 0.000 1.055 164 R CB 1.769 32.102 30.300 0.055 0.000 1.045 164 R HN 0.323 nan 8.270 nan 0.000 0.495 165 L N 2.323 123.444 121.223 -0.169 0.000 2.416 165 L HA 0.468 4.809 4.340 0.001 0.000 0.263 165 L C -1.948 174.868 176.870 -0.090 0.000 1.065 165 L CA -2.148 52.579 54.840 -0.187 0.000 0.798 165 L CB 1.420 43.226 42.059 -0.422 0.000 1.267 165 L HN 0.325 nan 8.230 nan 0.000 0.467 166 P HA 0.096 nan 4.420 nan 0.000 0.280 166 P C 0.186 177.470 177.300 -0.028 0.000 1.244 166 P CA -0.232 62.854 63.100 -0.022 0.000 0.784 166 P CB 0.911 32.608 31.700 -0.006 0.000 0.913 167 E N 2.212 122.403 120.200 -0.014 0.000 2.172 167 E HA -0.366 3.985 4.350 0.001 0.000 0.213 167 E C 1.485 178.081 176.600 -0.006 0.000 1.051 167 E CA 1.834 58.230 56.400 -0.007 0.000 0.860 167 E CB 0.107 29.809 29.700 0.003 0.000 0.755 167 E HN 0.605 nan 8.360 nan 0.000 0.462 168 E N -0.529 119.670 120.200 -0.003 0.000 2.051 168 E HA -0.220 4.130 4.350 0.001 0.000 0.192 168 E C 1.943 178.546 176.600 0.004 0.000 0.991 168 E CA 1.089 57.490 56.400 0.001 0.000 0.799 168 E CB -0.167 29.536 29.700 0.006 0.000 0.748 168 E HN 0.346 nan 8.360 nan 0.000 0.449 169 A N 0.981 123.803 122.820 0.003 0.000 1.873 169 A HA -0.150 4.170 4.320 0.001 0.000 0.215 169 A C 2.146 179.742 177.584 0.020 0.000 1.186 169 A CA 1.190 53.236 52.037 0.015 0.000 0.616 169 A CB -0.766 18.239 19.000 0.007 0.000 0.823 169 A HN 0.366 nan 8.150 nan 0.000 0.442 170 L N -0.197 121.016 121.223 -0.017 0.000 1.990 170 L HA -0.202 4.138 4.340 0.001 0.000 0.213 170 L C 2.450 179.316 176.870 -0.007 0.000 1.072 170 L CA 1.904 56.749 54.840 0.008 0.000 0.755 170 L CB -0.482 41.562 42.059 -0.026 0.000 0.889 170 L HN 0.438 nan 8.230 nan 0.000 0.432 171 L N -0.846 120.365 121.223 -0.020 0.000 2.042 171 L HA -0.255 4.086 4.340 0.001 0.000 0.210 171 L C 2.642 179.482 176.870 -0.049 0.000 1.076 171 L CA 1.850 56.666 54.840 -0.041 0.000 0.749 171 L CB -0.545 41.503 42.059 -0.019 0.000 0.893 171 L HN 0.473 nan 8.230 nan 0.000 0.432 172 E N 0.313 120.505 120.200 -0.012 0.000 2.072 172 E HA -0.193 4.158 4.350 0.001 0.000 0.190 172 E C 2.324 178.932 176.600 0.014 0.000 0.982 172 E CA 0.871 57.273 56.400 0.002 0.000 0.803 172 E CB 0.045 29.760 29.700 0.025 0.000 0.755 172 E HN 0.493 nan 8.360 nan 0.000 0.453 173 L N 0.210 121.470 121.223 0.062 0.000 2.201 173 L HA -0.065 4.275 4.340 0.001 0.000 0.212 173 L C 2.440 179.285 176.870 -0.041 0.000 1.105 173 L CA 0.880 55.828 54.840 0.179 0.000 0.775 173 L CB -0.245 42.083 42.059 0.449 0.000 0.913 173 L HN 0.148 nan 8.230 nan 0.000 0.440 174 A N -0.722 121.838 122.820 -0.434 0.000 2.178 174 A HA -0.097 4.223 4.320 0.001 0.000 0.211 174 A C 2.046 179.414 177.584 -0.359 0.000 1.157 174 A CA 0.605 52.127 52.037 -0.857 0.000 0.780 174 A CB -0.101 18.331 19.000 -0.947 0.000 0.828 174 A HN 0.290 nan 8.150 nan 0.000 0.476 175 E N 1.096 121.189 120.200 -0.178 0.000 2.038 175 E HA -0.136 4.214 4.350 0.001 0.000 0.195 175 E C -0.743 175.816 176.600 -0.068 0.000 1.000 175 E CA 2.224 58.566 56.400 -0.096 0.000 0.803 175 E CB -1.011 28.658 29.700 -0.051 0.000 0.750 175 E HN 0.413 nan 8.360 nan 0.000 0.448 176 P HA -0.157 nan 4.420 nan 0.000 0.215 176 P C 1.028 178.316 177.300 -0.020 0.000 1.157 176 P CA 2.326 65.418 63.100 -0.013 0.000 0.868 176 P CB -0.214 31.499 31.700 0.021 0.000 0.788 177 A N -0.633 122.168 122.820 -0.031 0.000 1.883 177 A HA -0.193 4.128 4.320 0.001 0.000 0.217 177 A C 2.221 179.785 177.584 -0.033 0.000 1.186 177 A CA 1.633 53.660 52.037 -0.017 0.000 0.624 177 A CB -1.729 17.274 19.000 0.004 0.000 0.822 177 A HN 0.115 nan 8.150 nan 0.000 0.444 178 L N -1.183 120.002 121.223 -0.064 0.000 2.141 178 L HA -0.151 4.189 4.340 0.001 0.000 0.209 178 L C 2.825 179.675 176.870 -0.034 0.000 1.094 178 L CA 0.782 55.596 54.840 -0.044 0.000 0.763 178 L CB -0.392 41.634 42.059 -0.055 0.000 0.908 178 L HN 0.253 nan 8.230 nan 0.000 0.437 179 R N 0.123 120.602 120.500 -0.034 0.000 2.075 179 R HA -0.048 4.293 4.340 0.001 0.000 0.232 179 R C 2.309 178.594 176.300 -0.025 0.000 1.126 179 R CA 1.433 57.517 56.100 -0.027 0.000 0.963 179 R CB -0.990 29.297 30.300 -0.022 0.000 0.858 179 R HN 0.327 nan 8.270 nan 0.000 0.435 180 A N 0.524 123.330 122.820 -0.023 0.000 1.933 180 A HA -0.084 4.236 4.320 0.001 0.000 0.218 180 A C 2.459 180.029 177.584 -0.023 0.000 1.175 180 A CA 1.383 53.406 52.037 -0.023 0.000 0.628 180 A CB -0.452 18.534 19.000 -0.024 0.000 0.814 180 A HN 0.096 nan 8.150 nan 0.000 0.444 181 V N -0.256 119.645 119.914 -0.020 0.000 2.358 181 V HA -0.211 3.909 4.120 0.001 0.000 0.246 181 V C 3.052 179.124 176.094 -0.037 0.000 1.047 181 V CA 1.824 64.115 62.300 -0.016 0.000 1.035 181 V CB -1.166 30.654 31.823 -0.006 0.000 0.658 181 V HN 0.608 nan 8.190 nan 0.000 0.452 182 A N -0.307 122.486 122.820 -0.044 0.000 1.877 182 A HA -0.271 4.050 4.320 0.001 0.000 0.216 182 A C 2.165 179.719 177.584 -0.050 0.000 1.186 182 A CA 2.065 54.066 52.037 -0.060 0.000 0.620 182 A CB -0.545 18.426 19.000 -0.048 0.000 0.822 182 A HN 0.596 nan 8.150 nan 0.000 0.443 183 E N -0.645 119.535 120.200 -0.034 0.000 2.153 183 E HA -0.042 4.308 4.350 0.001 0.000 0.194 183 E C 1.863 178.452 176.600 -0.018 0.000 0.988 183 E CA 0.938 57.323 56.400 -0.025 0.000 0.811 183 E CB -0.177 29.511 29.700 -0.020 0.000 0.746 183 E HN 0.605 nan 8.360 nan 0.000 0.466 184 A N -0.287 122.524 122.820 -0.015 0.000 2.275 184 A HA 0.324 4.645 4.320 0.001 0.000 0.212 184 A C 1.582 179.179 177.584 0.022 0.000 1.201 184 A CA 0.622 52.659 52.037 0.000 0.000 0.843 184 A CB -0.116 18.882 19.000 -0.004 0.000 0.873 184 A HN 0.295 nan 8.150 nan 0.000 0.492 185 G N -1.096 107.701 108.800 -0.006 0.000 2.153 185 G HA2 -0.213 3.748 3.960 0.001 0.000 0.252 185 G HA3 -0.213 3.748 3.960 0.001 0.000 0.252 185 G C 0.024 174.947 174.900 0.037 0.000 0.994 185 G CA 0.477 45.569 45.100 -0.014 0.000 0.698 185 G HN 0.367 nan 8.290 nan 0.000 0.521 186 L N -0.742 120.514 121.223 0.054 0.000 2.466 186 L HA 0.751 5.091 4.340 0.001 0.000 0.257 186 L C 0.887 177.791 176.870 0.058 0.000 1.189 186 L CA -0.096 54.852 54.840 0.180 0.000 0.813 186 L CB 0.331 42.471 42.059 0.134 0.000 1.118 186 L HN 0.115 nan 8.230 nan 0.000 0.471 187 F N 0.157 120.173 119.950 0.111 0.000 2.518 187 F HA 0.583 5.110 4.527 0.001 0.000 0.338 187 F C -0.209 175.647 175.800 0.095 0.000 1.065 187 F CA -0.805 57.259 58.000 0.106 0.000 1.012 187 F CB 1.060 40.169 39.000 0.183 0.000 1.297 187 F HN 0.051 nan 8.300 nan 0.000 0.489 188 L N 0.840 122.228 121.223 0.275 0.000 2.329 188 L HA 0.301 4.641 4.340 0.001 0.000 0.279 188 L C -1.010 175.990 176.870 0.216 0.000 1.014 188 L CA -0.864 54.090 54.840 0.190 0.000 0.814 188 L CB 1.638 43.777 42.059 0.132 0.000 1.257 188 L HN 0.503 nan 8.230 nan 0.000 0.424 189 D N 2.615 123.126 120.400 0.186 0.000 2.342 189 D HA 0.168 4.808 4.640 0.001 0.000 0.260 189 D C -0.676 175.751 176.300 0.212 0.000 1.278 189 D CA -0.112 54.018 54.000 0.217 0.000 0.910 189 D CB 0.937 41.830 40.800 0.154 0.000 1.079 189 D HN 0.064 nan 8.370 nan 0.000 0.496 190 V N 5.727 125.751 119.914 0.183 0.000 2.320 190 V HA 0.206 4.326 4.120 0.001 0.000 0.265 190 V C 0.303 176.504 176.094 0.180 0.000 1.048 190 V CA -0.768 61.614 62.300 0.137 0.000 0.865 190 V CB 0.568 32.401 31.823 0.017 0.000 1.043 190 V HN 0.564 nan 8.190 nan 0.000 0.474 191 N N 3.386 122.249 118.700 0.272 0.000 2.511 191 N HA 0.132 4.873 4.740 0.001 0.000 0.249 191 N C 1.194 176.896 175.510 0.319 0.000 0.971 191 N CA -0.049 53.203 53.050 0.337 0.000 0.938 191 N CB 2.049 40.801 38.487 0.442 0.000 1.131 191 N HN 0.699 nan 8.380 nan 0.000 0.505 192 T N 0.231 114.969 114.554 0.306 0.000 3.163 192 T HA 0.013 4.363 4.350 0.001 0.000 0.260 192 T C 1.618 176.470 174.700 0.254 0.000 1.156 192 T CA 0.688 62.978 62.100 0.317 0.000 1.072 192 T CB 0.001 69.166 68.868 0.496 0.000 0.937 192 T HN 0.374 nan 8.240 nan 0.000 0.528 193 A N 1.579 124.531 122.820 0.220 0.000 2.019 193 A HA 0.251 4.572 4.320 0.001 0.000 0.219 193 A C 2.608 180.205 177.584 0.021 0.000 1.164 193 A CA 1.275 53.379 52.037 0.112 0.000 0.644 193 A CB -1.440 17.674 19.000 0.190 0.000 0.805 193 A HN 0.612 nan 8.150 nan 0.000 0.449 194 G N -0.437 108.285 108.800 -0.130 0.000 2.470 194 G HA2 -0.088 3.873 3.960 0.001 0.000 0.220 194 G HA3 -0.088 3.873 3.960 0.001 0.000 0.220 194 G C 1.408 176.137 174.900 -0.284 0.000 1.121 194 G CA 0.864 45.598 45.100 -0.610 0.000 0.766 194 G HN 0.465 nan 8.290 nan 0.000 0.553 195 L N -0.385 120.779 121.223 -0.099 0.000 2.240 195 L HA 0.087 4.427 4.340 0.001 0.000 0.211 195 L C 2.750 179.612 176.870 -0.013 0.000 1.106 195 L CA 0.507 55.358 54.840 0.018 0.000 0.793 195 L CB -0.071 42.125 42.059 0.229 0.000 0.927 195 L HN 0.154 nan 8.230 nan 0.000 0.446 196 R N -0.448 119.969 120.500 -0.138 0.000 2.310 196 R HA 0.121 4.461 4.340 0.001 0.000 0.202 196 R C 0.227 176.441 176.300 -0.143 0.000 0.933 196 R CA -0.002 55.964 56.100 -0.223 0.000 1.054 196 R CB 0.117 30.154 30.300 -0.439 0.000 0.985 196 R HN 0.190 nan 8.270 nan 0.000 0.489 197 R N 0.187 120.608 120.500 -0.132 0.000 2.856 197 R HA 0.258 4.599 4.340 0.001 0.000 0.258 197 R C -1.920 174.314 176.300 -0.110 0.000 1.066 197 R CA -2.508 53.515 56.100 -0.129 0.000 1.045 197 R CB 0.142 30.334 30.300 -0.179 0.000 1.178 197 R HN -0.277 nan 8.270 nan 0.000 0.499 198 P HA -0.138 nan 4.420 nan 0.000 0.218 198 P C 0.924 178.163 177.300 -0.103 0.000 1.146 198 P CA 1.667 64.724 63.100 -0.071 0.000 0.813 198 P CB 0.125 31.803 31.700 -0.036 0.000 0.778 199 A N 0.095 122.827 122.820 -0.147 0.000 1.978 199 A HA -0.207 4.113 4.320 0.001 0.000 0.220 199 A C 1.077 178.591 177.584 -0.117 0.000 1.170 199 A CA 1.300 53.253 52.037 -0.141 0.000 0.636 199 A CB -1.128 17.752 19.000 -0.199 0.000 0.810 199 A HN 0.154 nan 8.150 nan 0.000 0.448 200 K N -0.393 119.936 120.400 -0.117 0.000 3.156 200 K HA -0.197 4.124 4.320 0.001 0.000 0.266 200 K C -0.265 176.291 176.600 -0.072 0.000 0.966 200 K CA 1.183 57.427 56.287 -0.072 0.000 0.719 200 K CB -1.231 31.247 32.500 -0.037 0.000 1.333 200 K HN 0.846 nan 8.250 nan 0.000 0.468 201 E N -0.044 120.075 120.200 -0.134 0.000 2.381 201 E HA 0.210 4.561 4.350 0.001 0.000 0.286 201 E C -0.298 176.177 176.600 -0.208 0.000 0.960 201 E CA -0.677 55.654 56.400 -0.116 0.000 0.793 201 E CB 1.735 31.382 29.700 -0.088 0.000 1.225 201 E HN 0.122 nan 8.360 nan 0.000 0.420 202 V N 1.319 121.171 119.914 -0.102 0.000 3.139 202 V HA 0.215 4.335 4.120 0.001 0.000 0.307 202 V C -0.691 175.350 176.094 -0.089 0.000 1.095 202 V CA 0.156 62.408 62.300 -0.081 0.000 1.160 202 V CB -0.062 31.778 31.823 0.027 0.000 1.003 202 V HN 0.513 nan 8.190 nan 0.000 0.489 203 Y N 4.282 124.652 120.300 0.117 0.000 2.328 203 Y HA 0.617 5.167 4.550 0.001 0.000 0.337 203 Y C -1.954 174.030 175.900 0.141 0.000 1.008 203 Y CA -2.566 55.622 58.100 0.147 0.000 1.129 203 Y CB 1.402 39.980 38.460 0.198 0.000 1.185 203 Y HN 0.562 nan 8.280 nan 0.000 0.476 204 P HA 0.319 nan 4.420 nan 0.000 0.280 204 P C -0.663 176.746 177.300 0.183 0.000 1.272 204 P CA -0.554 62.714 63.100 0.280 0.000 0.819 204 P CB 1.157 33.000 31.700 0.239 0.000 1.122 205 A N 1.901 124.822 122.820 0.168 0.000 2.448 205 A HA 0.184 4.504 4.320 0.001 0.000 0.239 205 A C -1.304 176.337 177.584 0.095 0.000 1.080 205 A CA -0.667 51.433 52.037 0.105 0.000 0.779 205 A CB -1.479 17.580 19.000 0.098 0.000 1.026 205 A HN 0.391 nan 8.150 nan 0.000 0.499 206 P HA -0.237 nan 4.420 nan 0.000 0.216 206 P C 1.653 179.005 177.300 0.087 0.000 1.154 206 P CA 2.623 65.772 63.100 0.082 0.000 0.865 206 P CB 0.082 31.819 31.700 0.063 0.000 0.789 207 A N -1.011 121.849 122.820 0.067 0.000 1.933 207 A HA -0.164 4.156 4.320 0.001 0.000 0.218 207 A C 2.156 179.777 177.584 0.061 0.000 1.175 207 A CA 1.436 53.506 52.037 0.055 0.000 0.628 207 A CB -1.602 17.420 19.000 0.036 0.000 0.814 207 A HN 0.145 nan 8.150 nan 0.000 0.444 208 L N -0.804 120.464 121.223 0.075 0.000 2.291 208 L HA -0.055 4.286 4.340 0.001 0.000 0.214 208 L C 2.330 179.265 176.870 0.107 0.000 1.120 208 L CA 0.425 55.308 54.840 0.072 0.000 0.799 208 L CB -0.308 41.805 42.059 0.090 0.000 0.925 208 L HN 0.369 nan 8.230 nan 0.000 0.446 209 L N -0.629 120.678 121.223 0.141 0.000 2.109 209 L HA -0.150 4.190 4.340 0.001 0.000 0.207 209 L C 2.775 179.820 176.870 0.292 0.000 1.086 209 L CA 0.913 55.888 54.840 0.225 0.000 0.760 209 L CB -0.405 41.775 42.059 0.201 0.000 0.910 209 L HN 0.243 nan 8.230 nan 0.000 0.437 210 R N 0.458 121.060 120.500 0.171 0.000 2.073 210 R HA -0.227 4.113 4.340 0.001 0.000 0.234 210 R C 2.463 178.787 176.300 0.041 0.000 1.134 210 R CA 1.619 57.771 56.100 0.086 0.000 0.952 210 R CB -0.084 30.247 30.300 0.051 0.000 0.850 210 R HN 0.060 nan 8.270 nan 0.000 0.433 211 R N 0.597 121.126 120.500 0.048 0.000 2.075 211 R HA 0.007 4.348 4.340 0.001 0.000 0.232 211 R C 1.996 178.316 176.300 0.032 0.000 1.126 211 R CA 1.801 57.913 56.100 0.019 0.000 0.963 211 R CB -0.745 29.559 30.300 0.007 0.000 0.858 211 R HN 0.343 nan 8.270 nan 0.000 0.435 212 A N 0.617 123.492 122.820 0.091 0.000 1.917 212 A HA -0.236 4.084 4.320 0.001 0.000 0.219 212 A C 2.269 179.920 177.584 0.111 0.000 1.182 212 A CA 1.880 53.990 52.037 0.121 0.000 0.633 212 A CB -0.650 18.474 19.000 0.205 0.000 0.819 212 A HN 0.433 nan 8.150 nan 0.000 0.448 213 R N -0.128 120.425 120.500 0.088 0.000 2.096 213 R HA -0.155 4.185 4.340 0.001 0.000 0.235 213 R C 2.019 178.235 176.300 -0.140 0.000 1.127 213 R CA 1.771 57.755 56.100 -0.193 0.000 0.968 213 R CB -0.274 29.641 30.300 -0.642 0.000 0.861 213 R HN 0.711 nan 8.270 nan 0.000 0.440 214 E N 0.144 120.291 120.200 -0.089 0.000 2.110 214 E HA -0.173 4.178 4.350 0.001 0.000 0.193 214 E C 1.633 178.202 176.600 -0.052 0.000 0.988 214 E CA 1.072 57.429 56.400 -0.070 0.000 0.804 214 E CB -0.010 29.660 29.700 -0.049 0.000 0.745 214 E HN 0.395 nan 8.360 nan 0.000 0.458 215 L N -0.104 121.097 121.223 -0.036 0.000 2.591 215 L HA 0.157 4.497 4.340 0.001 0.000 0.228 215 L C 1.198 178.041 176.870 -0.044 0.000 1.133 215 L CA 0.204 55.023 54.840 -0.035 0.000 0.880 215 L CB -0.098 41.944 42.059 -0.028 0.000 1.033 215 L HN 0.225 nan 8.230 nan 0.000 0.450 216 G N 1.181 109.954 108.800 -0.044 0.000 2.198 216 G HA2 -0.291 3.669 3.960 0.001 0.000 0.260 216 G HA3 -0.291 3.669 3.960 0.001 0.000 0.260 216 G C 0.202 175.060 174.900 -0.070 0.000 1.025 216 G CA -0.124 44.947 45.100 -0.048 0.000 0.769 216 G HN 0.333 nan 8.290 nan 0.000 0.507 217 I N 1.273 121.820 120.570 -0.037 0.000 2.441 217 I HA 0.424 4.594 4.170 0.001 0.000 0.287 217 I C 1.407 177.487 176.117 -0.062 0.000 1.049 217 I CA 0.138 61.374 61.300 -0.106 0.000 1.381 217 I CB 1.047 39.026 38.000 -0.036 0.000 1.409 217 I HN 0.171 nan 8.210 nan 0.000 0.523 218 G N 6.816 115.380 108.800 -0.392 0.000 2.476 218 G HA2 0.590 4.550 3.960 0.001 0.000 0.269 218 G HA3 0.590 4.550 3.960 0.001 0.000 0.269 218 G C -0.612 174.408 174.900 0.200 0.000 1.195 218 G CA -0.600 44.398 45.100 -0.171 0.000 0.843 218 G HN 0.473 nan 8.290 nan 0.000 0.545 219 L N 0.646 122.091 121.223 0.370 0.000 2.329 219 L HA 0.540 4.880 4.340 0.001 0.000 0.279 219 L C -0.593 176.479 176.870 0.336 0.000 1.014 219 L CA -1.097 53.891 54.840 0.247 0.000 0.814 219 L CB 2.289 44.289 42.059 -0.098 0.000 1.257 219 L HN 0.147 nan 8.230 nan 0.000 0.424 220 V N 3.829 123.912 119.914 0.282 0.000 2.376 220 V HA 0.314 4.435 4.120 0.001 0.000 0.287 220 V C -0.049 176.156 176.094 0.185 0.000 1.015 220 V CA -0.540 61.907 62.300 0.245 0.000 0.834 220 V CB 1.667 33.630 31.823 0.233 0.000 1.001 220 V HN 0.419 nan 8.190 nan 0.000 0.428 221 L N 4.180 125.473 121.223 0.117 0.000 2.426 221 L HA 0.749 5.089 4.340 0.001 0.000 0.271 221 L C 0.844 177.818 176.870 0.173 0.000 1.169 221 L CA 1.024 55.857 54.840 -0.012 0.000 0.836 221 L CB 0.993 42.822 42.059 -0.384 0.000 1.112 221 L HN 0.812 nan 8.230 nan 0.000 0.465 222 G N -0.168 108.786 108.800 0.255 0.000 2.718 222 G HA2 0.460 4.420 3.960 0.001 0.000 0.295 222 G HA3 0.460 4.420 3.960 0.001 0.000 0.295 222 G C -0.004 175.215 174.900 0.531 0.000 1.421 222 G CA 0.203 45.594 45.100 0.486 0.000 0.902 222 G HN 0.583 nan 8.290 nan 0.000 0.501 223 S N -0.204 115.789 115.700 0.489 0.000 2.483 223 S HA 0.129 4.599 4.470 0.001 0.000 0.221 223 S C 0.862 175.585 174.600 0.204 0.000 1.030 223 S CA 1.145 59.576 58.200 0.384 0.000 0.925 223 S CB 0.135 63.475 63.200 0.233 0.000 0.795 223 S HN 0.816 nan 8.310 nan 0.000 0.511 224 D N 1.358 121.798 120.400 0.066 0.000 2.835 224 D HA -0.132 4.508 4.640 0.001 0.000 0.230 224 D C 0.069 176.550 176.300 0.301 0.000 1.130 224 D CA 0.840 54.798 54.000 -0.070 0.000 0.738 224 D CB -1.590 39.148 40.800 -0.104 0.000 1.090 224 D HN 0.763 nan 8.370 nan 0.000 0.433 225 A N 0.099 123.078 122.820 0.266 0.000 2.488 225 A HA 0.291 4.612 4.320 0.001 0.000 0.249 225 A C 0.715 178.557 177.584 0.430 0.000 1.083 225 A CA 0.378 52.607 52.037 0.320 0.000 0.768 225 A CB 0.244 19.393 19.000 0.249 0.000 1.017 225 A HN 0.425 nan 8.150 nan 0.000 0.496 226 H N 0.920 120.151 119.070 0.268 0.000 2.672 226 H HA 0.276 4.832 4.556 0.001 0.000 0.277 226 H C -0.026 175.455 175.328 0.254 0.000 1.074 226 H CA 0.256 56.472 56.048 0.279 0.000 1.173 226 H CB 0.361 30.210 29.762 0.145 0.000 1.558 226 H HN 0.683 nan 8.280 nan 0.000 0.539 227 R N -0.618 120.021 120.500 0.232 0.000 2.668 227 R HA 0.224 4.565 4.340 0.001 0.000 0.272 227 R C -2.280 173.750 176.300 -0.450 0.000 1.019 227 R CA -1.886 54.193 56.100 -0.035 0.000 0.894 227 R CB 1.712 32.008 30.300 -0.006 0.000 1.228 227 R HN -0.119 nan 8.270 nan 0.000 0.460 228 P HA -0.255 nan 4.420 nan 0.000 0.215 228 P C 0.866 177.954 177.300 -0.353 0.000 1.153 228 P CA 1.253 63.808 63.100 -0.909 0.000 0.853 228 P CB 0.201 31.553 31.700 -0.581 0.000 0.788 229 E N 0.658 120.740 120.200 -0.196 0.000 2.401 229 E HA -0.214 4.136 4.350 0.001 0.000 0.199 229 E C 1.286 177.877 176.600 -0.015 0.000 1.023 229 E CA 1.189 57.541 56.400 -0.080 0.000 0.859 229 E CB -0.807 28.870 29.700 -0.037 0.000 0.780 229 E HN 0.387 nan 8.360 nan 0.000 0.523 230 E N 0.621 120.803 120.200 -0.029 0.000 2.371 230 E HA 0.061 4.412 4.350 0.001 0.000 0.194 230 E C 0.180 176.824 176.600 0.073 0.000 1.012 230 E CA -0.071 56.368 56.400 0.065 0.000 0.860 230 E CB 0.566 30.297 29.700 0.053 0.000 0.811 230 E HN 0.013 nan 8.360 nan 0.000 0.502 231 V N 1.151 121.052 119.914 -0.021 0.000 2.694 231 V HA 0.014 4.134 4.120 0.001 0.000 0.306 231 V C 1.410 177.348 176.094 -0.259 0.000 1.054 231 V CA 1.347 63.592 62.300 -0.091 0.000 1.161 231 V CB 0.516 32.295 31.823 -0.074 0.000 0.916 231 V HN 0.570 nan 8.190 nan 0.000 0.490 232 G N 4.333 112.758 108.800 -0.625 0.000 2.166 232 G HA2 -0.326 3.634 3.960 0.001 0.000 0.260 232 G HA3 -0.326 3.634 3.960 0.001 0.000 0.260 232 G C 0.104 174.596 174.900 -0.680 0.000 0.986 232 G CA 0.311 44.617 45.100 -1.324 0.000 0.683 232 G HN 0.888 nan 8.290 nan 0.000 0.527 233 F N 1.047 120.829 119.950 -0.279 0.000 2.580 233 F HA 0.290 4.817 4.527 0.001 0.000 0.398 233 F C 1.459 177.380 175.800 0.202 0.000 1.023 233 F CA 0.937 58.937 58.000 0.000 0.000 1.188 233 F CB 0.185 39.215 39.000 0.050 0.000 1.005 233 F HN 1.512 nan 8.300 nan 0.000 0.546 234 A N 4.639 127.054 122.820 -0.675 0.000 2.790 234 A HA -0.317 4.003 4.320 0.001 0.000 0.277 234 A C 1.346 178.982 177.584 0.087 0.000 1.435 234 A CA 1.247 53.069 52.037 -0.359 0.000 0.877 234 A CB -2.681 16.097 19.000 -0.371 0.000 1.007 234 A HN 0.759 nan 8.150 nan 0.000 0.613 235 F N -0.443 119.445 119.950 -0.104 0.000 2.161 235 F HA -0.046 4.481 4.527 0.001 0.000 0.300 235 F C 0.232 176.019 175.800 -0.022 0.000 1.089 235 F CA 1.915 59.903 58.000 -0.021 0.000 1.282 235 F CB -1.644 37.355 39.000 0.000 0.000 1.010 235 F HN 0.272 nan 8.300 nan 0.000 0.485 236 P HA -0.138 nan 4.420 nan 0.000 0.216 236 P C 1.321 178.637 177.300 0.027 0.000 1.153 236 P CA 1.588 64.723 63.100 0.058 0.000 0.848 236 P CB 0.031 31.744 31.700 0.023 0.000 0.787 237 E N -0.645 119.559 120.200 0.007 0.000 2.051 237 E HA -0.123 4.227 4.350 0.001 0.000 0.192 237 E C 2.010 178.614 176.600 0.006 0.000 0.991 237 E CA 1.070 57.470 56.400 0.000 0.000 0.799 237 E CB -1.394 28.296 29.700 -0.016 0.000 0.748 237 E HN 0.017 nan 8.360 nan 0.000 0.449 238 V N 0.883 120.798 119.914 0.001 0.000 2.427 238 V HA -0.273 3.847 4.120 0.001 0.000 0.248 238 V C 2.466 178.538 176.094 -0.038 0.000 1.051 238 V CA 1.914 64.201 62.300 -0.022 0.000 1.048 238 V CB -0.527 31.263 31.823 -0.055 0.000 0.666 238 V HN 0.277 nan 8.190 nan 0.000 0.456 239 Q N -0.018 119.761 119.800 -0.035 0.000 2.096 239 Q HA -0.240 4.100 4.340 0.001 0.000 0.204 239 Q C 2.279 178.287 176.000 0.014 0.000 0.982 239 Q CA 2.110 57.904 55.803 -0.015 0.000 0.850 239 Q CB -0.276 28.473 28.738 0.019 0.000 0.901 239 Q HN 0.647 nan 8.270 nan 0.000 0.422 240 A N 0.760 123.591 122.820 0.019 0.000 1.858 240 A HA -0.203 4.117 4.320 0.001 0.000 0.216 240 A C 2.019 179.625 177.584 0.036 0.000 1.190 240 A CA 1.478 53.532 52.037 0.028 0.000 0.617 240 A CB -0.995 18.019 19.000 0.022 0.000 0.827 240 A HN 0.516 nan 8.150 nan 0.000 0.443 241 L N 0.014 121.255 121.223 0.030 0.000 1.990 241 L HA -0.203 4.138 4.340 0.001 0.000 0.213 241 L C 2.335 179.248 176.870 0.071 0.000 1.072 241 L CA 2.072 56.938 54.840 0.042 0.000 0.755 241 L CB -0.496 41.581 42.059 0.031 0.000 0.889 241 L HN 0.428 nan 8.230 nan 0.000 0.432 242 L N -0.486 120.768 121.223 0.052 0.000 2.042 242 L HA -0.232 4.108 4.340 0.001 0.000 0.210 242 L C 2.742 179.737 176.870 0.208 0.000 1.076 242 L CA 1.326 56.226 54.840 0.100 0.000 0.749 242 L CB -1.094 40.927 42.059 -0.064 0.000 0.893 242 L HN 0.469 nan 8.230 nan 0.000 0.432 243 A N 0.361 123.254 122.820 0.121 0.000 1.902 243 A HA -0.110 4.211 4.320 0.001 0.000 0.217 243 A C 2.408 180.052 177.584 0.099 0.000 1.181 243 A CA 1.631 53.736 52.037 0.114 0.000 0.623 243 A CB -1.202 17.839 19.000 0.068 0.000 0.818 243 A HN 0.447 nan 8.150 nan 0.000 0.443 244 G N -0.360 108.491 108.800 0.084 0.000 2.448 244 G HA2 -0.112 3.848 3.960 0.001 0.000 0.219 244 G HA3 -0.112 3.848 3.960 0.001 0.000 0.219 244 G C 1.324 176.267 174.900 0.071 0.000 1.127 244 G CA 0.911 46.049 45.100 0.064 0.000 0.766 244 G HN 0.455 nan 8.290 nan 0.000 0.552 245 L N 0.137 121.434 121.223 0.125 0.000 2.599 245 L HA 0.242 4.583 4.340 0.001 0.000 0.230 245 L C 2.052 178.942 176.870 0.034 0.000 1.141 245 L CA 0.504 55.417 54.840 0.122 0.000 0.877 245 L CB -0.005 42.209 42.059 0.259 0.000 1.009 245 L HN 0.400 nan 8.230 nan 0.000 0.447 246 G N -0.515 108.316 108.800 0.051 0.000 2.176 246 G HA2 -0.275 3.685 3.960 0.001 0.000 0.232 246 G HA3 -0.275 3.685 3.960 0.001 0.000 0.232 246 G C 0.175 175.037 174.900 -0.063 0.000 0.986 246 G CA -0.512 44.563 45.100 -0.042 0.000 0.643 246 G HN 0.169 nan 8.290 nan 0.000 0.522 247 F N 0.158 120.109 119.950 0.003 0.000 2.444 247 F HA 0.629 5.156 4.527 0.001 0.000 0.331 247 F C 1.794 177.585 175.800 -0.015 0.000 1.167 247 F CA -0.150 57.850 58.000 0.000 0.000 1.262 247 F CB 0.684 39.688 39.000 0.007 0.000 1.196 247 F HN -0.150 nan 8.300 nan 0.000 0.583 248 R N 0.353 120.951 120.500 0.163 0.000 2.513 248 R HA 0.231 4.571 4.340 0.001 0.000 0.245 248 R C -0.552 175.744 176.300 -0.006 0.000 0.908 248 R CA 0.205 56.342 56.100 0.061 0.000 1.023 248 R CB 0.511 30.826 30.300 0.025 0.000 1.338 248 R HN 0.705 nan 8.270 nan 0.000 0.575 249 E N -0.328 119.849 120.200 -0.037 0.000 2.416 249 E HA 0.741 5.092 4.350 0.001 0.000 0.273 249 E C -1.203 175.193 176.600 -0.339 0.000 0.935 249 E CA -0.838 55.408 56.400 -0.257 0.000 0.784 249 E CB 2.419 31.914 29.700 -0.342 0.000 1.301 249 E HN 0.029 nan 8.360 nan 0.000 0.454 250 A N 0.831 123.186 122.820 -0.775 0.000 2.483 250 A HA 0.834 5.154 4.320 0.001 0.000 0.286 250 A C -1.784 175.280 177.584 -0.868 0.000 1.207 250 A CA -0.520 51.150 52.037 -0.612 0.000 0.764 250 A CB 0.989 19.663 19.000 -0.543 0.000 1.341 250 A HN 0.568 nan 8.150 nan 0.000 0.428 251 Y N -1.807 118.376 120.300 -0.195 0.000 2.638 251 Y HA 0.652 5.202 4.550 0.001 0.000 0.339 251 Y C -0.758 175.228 175.900 0.143 0.000 1.084 251 Y CA -0.536 57.509 58.100 -0.091 0.000 1.068 251 Y CB 2.196 40.548 38.460 -0.180 0.000 1.294 251 Y HN 0.830 nan 8.280 nan 0.000 0.480 252 Y N -1.667 118.707 120.300 0.124 0.000 2.558 252 Y HA 0.690 5.240 4.550 0.001 0.000 0.333 252 Y C -2.146 173.707 175.900 -0.079 0.000 1.125 252 Y CA -2.244 55.883 58.100 0.045 0.000 1.039 252 Y CB 0.943 39.480 38.460 0.129 0.000 1.331 252 Y HN 0.439 nan 8.280 nan 0.000 0.456 253 F N 2.031 121.840 119.950 -0.235 0.000 2.421 253 F HA 0.695 5.222 4.527 0.001 0.000 0.337 253 F C -0.441 175.366 175.800 0.011 0.000 1.105 253 F CA -1.158 56.703 58.000 -0.232 0.000 1.049 253 F CB 1.959 40.793 39.000 -0.276 0.000 1.139 253 F HN 0.350 nan 8.300 nan 0.000 0.479 254 V N 2.520 122.437 119.914 0.004 0.000 2.483 254 V HA 0.206 4.327 4.120 0.001 0.000 0.297 254 V C -0.293 175.837 176.094 0.060 0.000 1.027 254 V CA -1.118 61.207 62.300 0.042 0.000 0.855 254 V CB 1.355 33.049 31.823 -0.215 0.000 0.995 254 V HN 0.857 nan 8.190 nan 0.000 0.424 255 E N 3.581 123.879 120.200 0.164 0.000 2.360 255 E HA -0.277 4.074 4.350 0.001 0.000 0.238 255 E C 1.242 177.912 176.600 0.117 0.000 1.186 255 E CA 0.683 57.157 56.400 0.122 0.000 0.719 255 E CB -1.104 28.626 29.700 0.050 0.000 1.236 255 E HN 1.515 nan 8.360 nan 0.000 0.386 256 G N -0.965 107.937 108.800 0.170 0.000 2.162 256 G HA2 -0.362 3.598 3.960 0.001 0.000 0.260 256 G HA3 -0.362 3.598 3.960 0.001 0.000 0.260 256 G C 0.162 175.083 174.900 0.035 0.000 0.976 256 G CA 0.472 45.634 45.100 0.104 0.000 0.655 256 G HN 0.402 nan 8.290 nan 0.000 0.533 257 S N 1.820 117.466 115.700 -0.089 0.000 2.500 257 S HA 0.705 5.176 4.470 0.001 0.000 0.301 257 S C -2.435 171.654 174.600 -0.852 0.000 1.092 257 S CA -0.981 57.022 58.200 -0.329 0.000 1.030 257 S CB 3.163 66.246 63.200 -0.194 0.000 1.031 257 S HN 0.267 nan 8.310 nan 0.000 0.483 258 P HA 0.287 nan 4.420 nan 0.000 0.275 258 P C -1.155 175.761 177.300 -0.641 0.000 1.227 258 P CA -0.347 61.891 63.100 -1.436 0.000 0.781 258 P CB 0.720 31.558 31.700 -1.436 0.000 0.906 259 V N 2.714 122.265 119.914 -0.605 0.000 2.407 259 V HA 0.480 4.601 4.120 0.001 0.000 0.291 259 V C 0.551 176.396 176.094 -0.414 0.000 1.018 259 V CA -0.836 61.148 62.300 -0.526 0.000 0.842 259 V CB 1.219 32.512 31.823 -0.884 0.000 0.996 259 V HN 0.745 nan 8.190 nan 0.000 0.426 260 A N 5.456 128.097 122.820 -0.298 0.000 2.322 260 A HA 0.842 5.163 4.320 0.001 0.000 0.269 260 A C -0.760 176.676 177.584 -0.246 0.000 1.094 260 A CA -0.104 51.606 52.037 -0.545 0.000 0.807 260 A CB 0.453 19.165 19.000 -0.480 0.000 1.047 260 A HN 1.319 nan 8.150 nan 0.000 0.487 261 Y N -0.412 119.697 120.300 -0.318 0.000 2.581 261 Y HA 0.729 5.280 4.550 0.001 0.000 0.337 261 Y C -3.251 172.575 175.900 -0.124 0.000 1.108 261 Y CA -2.940 55.084 58.100 -0.128 0.000 1.033 261 Y CB 1.186 39.656 38.460 0.017 0.000 1.318 261 Y HN 0.468 nan 8.280 nan 0.000 0.459 262 P HA 0.291 nan 4.420 nan 0.000 0.284 262 P C -0.668 176.704 177.300 0.119 0.000 1.253 262 P CA -0.199 62.915 63.100 0.025 0.000 0.800 262 P CB 1.990 33.717 31.700 0.045 0.000 0.961 263 L N 1.617 122.861 121.223 0.036 0.000 2.417 263 L HA 0.199 4.539 4.340 0.001 0.000 0.268 263 L C 1.364 178.284 176.870 0.085 0.000 1.158 263 L CA -0.194 54.695 54.840 0.081 0.000 0.819 263 L CB 0.666 42.749 42.059 0.040 0.000 1.112 263 L HN 0.476 nan 8.230 nan 0.000 0.458 264 S N 3.628 119.384 115.700 0.093 0.000 2.562 264 S HA 0.399 4.870 4.470 0.001 0.000 0.275 264 S C 0.008 174.638 174.600 0.051 0.000 1.281 264 S CA -0.729 57.512 58.200 0.067 0.000 1.045 264 S CB 1.016 64.256 63.200 0.065 0.000 0.962 264 S HN 0.535 nan 8.310 nan 0.000 0.503 265 R N 0.000 120.524 120.500 0.039 0.000 2.786 265 R HA 0.000 4.340 4.340 0.001 0.000 0.208 265 R CA 0.000 56.120 56.100 0.033 0.000 0.921 265 R CB 0.000 30.317 30.300 0.029 0.000 0.687 265 R HN 0.000 nan 8.270 nan 0.000 0.535