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 1s08_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTTDDLAFDQ RHILHPYTSM TSPLPVYPVV SAEGCELILS DGRRLVDGMS DATA SEQUENCE SWWAAIHGYN HPQLNAAMKS QIDAMSHVMF GGITHAPAIE LCRKLVAMTP DATA SEQUENCE QPLECVFLAD SGSVAVEVAM KMALQYWQAK GEARQRFLTF RNGYHGNTFG DATA SEQUENCE AMSVCDPXXX XXXXXXXXXX ENLFAPAPQS RMXGEWDERD MVGFARLMAA DATA SEQUENCE HRHEIAAVII EPIVQGAGGM RMYHPEWLKR IRKICDREGI LLIADEIATG DATA SEQUENCE FGRTGKLFAC EHAEIAPDIL CLGXALTGGT MTLSATLTTR EVAETISNGX DATA SEQUENCE XXXFMHGPTF MGNPLACAAA NASLAILESG DWQQQVADIE VQLREQLAPA DATA SEQUENCE RDAEMVADVR VLGAIGVVET THPVNMAALQ KFFVEQGVWI RPFGKLIYLM DATA SEQUENCE PPYIILPQQL QRLTAAVNRA VQDETFFCQ 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 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.009 0.000 1.302 2 T N -1.924 112.627 114.554 -0.005 0.000 2.680 2 T HA 0.141 4.489 4.350 -0.004 0.000 0.314 2 T C 1.412 176.116 174.700 0.007 0.000 1.045 2 T CA 0.588 62.687 62.100 -0.001 0.000 1.025 2 T CB 0.675 69.542 68.868 -0.002 0.000 1.000 2 T HN 0.772 nan 8.240 nan 0.000 0.535 3 T N -1.934 112.625 114.554 0.008 0.000 2.812 3 T HA -0.137 4.211 4.350 -0.004 0.000 0.264 3 T C 1.620 176.339 174.700 0.032 0.000 1.042 3 T CA 1.565 63.673 62.100 0.013 0.000 1.140 3 T CB -0.897 67.975 68.868 0.008 0.000 0.870 3 T HN 0.829 nan 8.240 nan 0.000 0.445 4 D N 1.633 122.054 120.400 0.035 0.000 2.123 4 D HA -0.188 4.449 4.640 -0.004 0.000 0.196 4 D C 1.710 178.067 176.300 0.094 0.000 0.992 4 D CA 1.513 55.549 54.000 0.060 0.000 0.833 4 D CB -0.447 40.376 40.800 0.038 0.000 0.954 4 D HN 0.281 nan 8.370 nan 0.000 0.455 5 D N -0.046 120.391 120.400 0.061 0.000 2.097 5 D HA -0.125 4.512 4.640 -0.004 0.000 0.195 5 D C 2.279 178.658 176.300 0.131 0.000 0.989 5 D CA 0.787 54.833 54.000 0.076 0.000 0.827 5 D CB -0.337 40.481 40.800 0.030 0.000 0.966 5 D HN 0.351 nan 8.370 nan 0.000 0.456 6 L N 0.491 121.761 121.223 0.077 0.000 2.093 6 L HA -0.105 4.232 4.340 -0.004 0.000 0.208 6 L C 2.492 179.403 176.870 0.067 0.000 1.085 6 L CA 0.956 55.829 54.840 0.056 0.000 0.755 6 L CB -0.382 41.681 42.059 0.006 0.000 0.904 6 L HN -0.025 nan 8.230 nan 0.000 0.435 7 A N -0.181 122.689 122.820 0.083 0.000 1.930 7 A HA -0.239 4.078 4.320 -0.004 0.000 0.217 7 A C 2.162 179.820 177.584 0.123 0.000 1.175 7 A CA 1.206 53.287 52.037 0.073 0.000 0.627 7 A CB -0.718 18.325 19.000 0.072 0.000 0.815 7 A HN 0.401 nan 8.150 nan 0.000 0.443 8 F N 1.152 121.150 119.950 0.079 0.000 2.186 8 F HA -0.162 4.362 4.527 -0.005 0.000 0.299 8 F C 1.851 177.747 175.800 0.161 0.000 1.090 8 F CA 1.997 60.102 58.000 0.175 0.000 1.307 8 F CB -0.287 38.793 39.000 0.134 0.000 1.019 8 F HN 0.420 nan 8.300 nan 0.000 0.489 9 D N -0.315 120.243 120.400 0.263 0.000 2.092 9 D HA -0.304 4.334 4.640 -0.004 0.000 0.193 9 D C 2.250 178.565 176.300 0.025 0.000 0.994 9 D CA 1.812 55.917 54.000 0.174 0.000 0.828 9 D CB -0.374 40.538 40.800 0.187 0.000 0.963 9 D HN 0.500 nan 8.370 nan 0.000 0.450 10 Q N -0.377 119.410 119.800 -0.022 0.000 2.084 10 Q HA -0.143 4.194 4.340 -0.004 0.000 0.202 10 Q C 2.197 178.098 176.000 -0.164 0.000 0.978 10 Q CA 1.059 56.815 55.803 -0.078 0.000 0.844 10 Q CB 0.052 28.745 28.738 -0.075 0.000 0.898 10 Q HN 0.195 nan 8.270 nan 0.000 0.426 11 R N -1.481 118.845 120.500 -0.290 0.000 2.276 11 R HA -0.005 4.332 4.340 -0.004 0.000 0.196 11 R C 0.815 176.618 176.300 -0.828 0.000 0.961 11 R CA 0.568 56.345 56.100 -0.538 0.000 1.024 11 R CB 0.403 30.328 30.300 -0.626 0.000 0.940 11 R HN 0.425 nan 8.270 nan 0.000 0.480 12 H N -1.718 117.113 119.070 -0.399 0.000 3.440 12 H HA 0.256 4.810 4.556 -0.005 0.000 0.259 12 H C -0.018 175.167 175.328 -0.240 0.000 1.120 12 H CA 0.022 55.800 56.048 -0.450 0.000 1.191 12 H CB 1.297 30.416 29.762 -1.070 0.000 1.537 12 H HN -0.032 nan 8.280 nan 0.000 0.547 13 I N 2.438 122.979 120.570 -0.049 0.000 2.355 13 I HA 0.151 4.318 4.170 -0.004 0.000 0.288 13 I C -0.561 175.604 176.117 0.079 0.000 0.999 13 I CA -0.866 60.454 61.300 0.034 0.000 1.163 13 I CB 2.008 40.066 38.000 0.097 0.000 1.316 13 I HN -0.221 nan 8.210 nan 0.000 0.454 14 L N 6.846 128.078 121.223 0.014 0.000 2.426 14 L HA 0.256 4.594 4.340 -0.004 0.000 0.271 14 L C 0.331 177.187 176.870 -0.024 0.000 1.169 14 L CA 0.508 55.370 54.840 0.037 0.000 0.836 14 L CB -0.014 42.042 42.059 -0.005 0.000 1.112 14 L HN 0.475 nan 8.230 nan 0.000 0.465 15 H N 1.935 121.033 119.070 0.047 0.000 2.771 15 H HA 0.413 4.966 4.556 -0.005 0.000 0.367 15 H C -2.133 173.266 175.328 0.118 0.000 1.172 15 H CA -1.881 54.223 56.048 0.093 0.000 1.186 15 H CB 1.664 31.487 29.762 0.103 0.000 1.790 15 H HN 0.379 nan 8.280 nan 0.000 0.556 16 P HA -0.067 nan 4.420 nan 0.000 0.266 16 P C -0.557 176.953 177.300 0.351 0.000 1.193 16 P CA 0.345 63.630 63.100 0.309 0.000 0.770 16 P CB -0.101 31.859 31.700 0.434 0.000 0.836 17 Y N -0.874 119.468 120.300 0.069 0.000 2.952 17 Y HA -0.230 4.317 4.550 -0.004 0.000 0.219 17 Y C 0.694 176.639 175.900 0.075 0.000 1.085 17 Y CA 0.222 58.352 58.100 0.050 0.000 0.872 17 Y CB -1.975 36.486 38.460 0.001 0.000 1.114 17 Y HN 0.296 nan 8.280 nan 0.000 0.482 18 T N -0.010 114.651 114.554 0.179 0.000 3.041 18 T HA 0.367 4.714 4.350 -0.004 0.000 0.321 18 T C -0.531 174.219 174.700 0.084 0.000 1.184 18 T CA -0.294 61.889 62.100 0.139 0.000 1.050 18 T CB 1.460 70.422 68.868 0.155 0.000 1.159 18 T HN 0.353 nan 8.240 nan 0.000 0.469 19 S N 4.016 119.754 115.700 0.063 0.000 2.558 19 S HA 0.168 4.635 4.470 -0.004 0.000 0.288 19 S C 1.414 176.025 174.600 0.020 0.000 1.318 19 S CA -0.398 57.823 58.200 0.035 0.000 1.056 19 S CB 0.266 63.484 63.200 0.030 0.000 0.853 19 S HN 0.690 nan 8.310 nan 0.000 0.505 20 M N 3.501 123.103 119.600 0.004 0.000 2.509 20 M HA 0.034 4.511 4.480 -0.004 0.000 0.250 20 M C 1.881 178.165 176.300 -0.028 0.000 1.132 20 M CA 0.777 56.067 55.300 -0.016 0.000 1.080 20 M CB -1.162 31.422 32.600 -0.025 0.000 1.408 20 M HN 0.929 nan 8.290 nan 0.000 0.484 21 T N -3.622 110.923 114.554 -0.016 0.000 3.031 21 T HA 0.127 4.474 4.350 -0.004 0.000 0.254 21 T C 1.044 175.735 174.700 -0.014 0.000 1.060 21 T CA 0.286 62.376 62.100 -0.018 0.000 1.135 21 T CB 0.062 68.924 68.868 -0.010 0.000 0.896 21 T HN 0.109 nan 8.240 nan 0.000 0.472 22 S N 3.109 118.806 115.700 -0.005 0.000 2.204 22 S HA 0.378 4.845 4.470 -0.004 0.000 0.178 22 S C -2.699 171.901 174.600 0.001 0.000 1.493 22 S CA -1.085 57.114 58.200 -0.002 0.000 1.266 22 S CB 0.774 63.979 63.200 0.008 0.000 1.232 22 S HN 0.423 nan 8.310 nan 0.000 0.406 23 P HA 0.223 nan 4.420 nan 0.000 0.269 23 P C -0.623 176.665 177.300 -0.019 0.000 1.209 23 P CA -0.304 62.788 63.100 -0.015 0.000 0.776 23 P CB 0.812 32.490 31.700 -0.037 0.000 0.876 24 L N 3.919 125.134 121.223 -0.014 0.000 2.334 24 L HA 0.492 4.830 4.340 -0.004 0.000 0.270 24 L C -1.889 174.950 176.870 -0.053 0.000 1.018 24 L CA -2.186 52.648 54.840 -0.011 0.000 0.811 24 L CB 0.556 42.632 42.059 0.028 0.000 1.271 24 L HN 0.280 nan 8.230 nan 0.000 0.443 25 P HA 0.117 nan 4.420 nan 0.000 0.267 25 P C -1.295 175.886 177.300 -0.199 0.000 1.200 25 P CA -0.188 62.812 63.100 -0.166 0.000 0.772 25 P CB 0.513 32.105 31.700 -0.180 0.000 0.855 26 V N 0.242 119.959 119.914 -0.328 0.000 2.823 26 V HA 0.567 4.684 4.120 -0.004 0.000 0.312 26 V C -1.432 174.404 176.094 -0.430 0.000 1.072 26 V CA -0.988 61.160 62.300 -0.253 0.000 0.937 26 V CB 1.735 33.395 31.823 -0.273 0.000 1.013 26 V HN 0.285 nan 8.190 nan 0.000 0.430 27 Y N 3.582 123.858 120.300 -0.040 0.000 2.331 27 Y HA 0.679 5.227 4.550 -0.004 0.000 0.338 27 Y C -2.019 173.796 175.900 -0.142 0.000 0.992 27 Y CA -2.364 55.687 58.100 -0.081 0.000 1.121 27 Y CB 1.543 39.957 38.460 -0.077 0.000 1.184 27 Y HN 0.553 nan 8.280 nan 0.000 0.469 28 P HA 0.171 nan 4.420 nan 0.000 0.281 28 P C -0.850 176.408 177.300 -0.070 0.000 1.286 28 P CA -0.084 62.992 63.100 -0.040 0.000 0.772 28 P CB 1.084 32.766 31.700 -0.030 0.000 0.862 29 V N 4.665 124.511 119.914 -0.113 0.000 2.427 29 V HA 0.103 4.220 4.120 -0.004 0.000 0.286 29 V C 1.623 177.650 176.094 -0.112 0.000 1.034 29 V CA -0.284 61.924 62.300 -0.154 0.000 0.893 29 V CB 1.670 33.345 31.823 -0.246 0.000 0.982 29 V HN 0.476 nan 8.190 nan 0.000 0.452 30 V N 1.667 121.520 119.914 -0.102 0.000 3.263 30 V HA 0.379 4.497 4.120 -0.004 0.000 0.248 30 V C 0.645 176.690 176.094 -0.081 0.000 1.145 30 V CA 1.005 63.260 62.300 -0.076 0.000 1.107 30 V CB 0.280 32.068 31.823 -0.058 0.000 0.797 30 V HN 0.892 nan 8.190 nan 0.000 0.467 31 S N -0.930 114.706 115.700 -0.107 0.000 2.661 31 S HA 0.879 5.346 4.470 -0.004 0.000 0.268 31 S C -0.885 173.620 174.600 -0.158 0.000 1.162 31 S CA -0.158 57.980 58.200 -0.103 0.000 0.817 31 S CB 1.411 64.570 63.200 -0.068 0.000 1.141 31 S HN 1.856 nan 8.310 nan 0.000 0.477 32 A N 0.579 123.317 122.820 -0.138 0.000 2.547 32 A HA 0.846 5.164 4.320 -0.004 0.000 0.297 32 A C -1.280 176.279 177.584 -0.042 0.000 1.056 32 A CA -0.483 51.433 52.037 -0.202 0.000 0.688 32 A CB 1.446 20.162 19.000 -0.474 0.000 1.282 32 A HN 1.264 nan 8.150 nan 0.000 0.400 33 E N 1.404 121.597 120.200 -0.012 0.000 2.335 33 E HA 0.588 4.936 4.350 -0.004 0.000 0.280 33 E C 0.417 177.071 176.600 0.089 0.000 0.918 33 E CA -0.558 55.877 56.400 0.058 0.000 0.765 33 E CB 1.240 30.948 29.700 0.012 0.000 1.218 33 E HN 2.280 nan 8.360 nan 0.000 0.425 34 G N 1.588 110.458 108.800 0.116 0.000 2.596 34 G HA2 -0.407 3.550 3.960 -0.004 0.000 0.304 34 G HA3 -0.407 3.550 3.960 -0.004 0.000 0.304 34 G C 0.571 175.585 174.900 0.190 0.000 1.189 34 G CA 0.296 45.463 45.100 0.112 0.000 0.986 34 G HN 0.925 nan 8.290 nan 0.000 0.548 35 C N 2.462 121.846 119.300 0.141 0.000 2.563 35 C HA 0.616 5.073 4.460 -0.004 0.000 0.307 35 C C 0.442 175.496 174.990 0.106 0.000 1.371 35 C CA 0.017 59.135 59.018 0.167 0.000 1.772 35 C CB -1.942 25.859 27.740 0.101 0.000 2.283 35 C HN 0.420 nan 8.230 nan 0.000 0.570 36 E N 0.665 120.893 120.200 0.047 0.000 2.222 36 E HA 0.482 4.829 4.350 -0.004 0.000 0.267 36 E C -1.087 175.390 176.600 -0.204 0.000 0.884 36 E CA -0.430 55.933 56.400 -0.061 0.000 0.764 36 E CB 1.828 31.501 29.700 -0.045 0.000 1.169 36 E HN 0.332 nan 8.360 nan 0.000 0.413 37 L N 3.396 124.465 121.223 -0.256 0.000 2.307 37 L HA 0.517 4.854 4.340 -0.004 0.000 0.282 37 L C -0.213 176.522 176.870 -0.225 0.000 1.051 37 L CA -0.712 53.919 54.840 -0.349 0.000 0.804 37 L CB 0.786 42.584 42.059 -0.434 0.000 1.197 37 L HN 0.422 nan 8.230 nan 0.000 0.431 38 I N 4.109 124.557 120.570 -0.204 0.000 2.354 38 I HA 0.304 4.471 4.170 -0.004 0.000 0.286 38 I C 0.050 176.090 176.117 -0.129 0.000 1.007 38 I CA -0.455 60.763 61.300 -0.137 0.000 1.167 38 I CB 1.413 39.350 38.000 -0.105 0.000 1.320 38 I HN 0.414 nan 8.210 nan 0.000 0.458 39 L N 4.104 125.265 121.223 -0.103 0.000 2.466 39 L HA 0.217 4.555 4.340 -0.004 0.000 0.257 39 L C 1.680 178.520 176.870 -0.051 0.000 1.189 39 L CA -0.062 54.733 54.840 -0.075 0.000 0.813 39 L CB 0.703 42.740 42.059 -0.035 0.000 1.118 39 L HN 0.598 nan 8.230 nan 0.000 0.471 40 S N 0.349 116.027 115.700 -0.037 0.000 2.419 40 S HA -0.168 4.299 4.470 -0.004 0.000 0.235 40 S C 1.173 175.762 174.600 -0.019 0.000 1.019 40 S CA 1.615 59.798 58.200 -0.028 0.000 0.982 40 S CB -0.344 62.843 63.200 -0.021 0.000 0.789 40 S HN 0.881 nan 8.310 nan 0.000 0.490 41 D N -0.376 120.018 120.400 -0.011 0.000 2.340 41 D HA 0.201 4.838 4.640 -0.004 0.000 0.220 41 D C 1.210 177.503 176.300 -0.012 0.000 1.039 41 D CA 0.811 54.808 54.000 -0.006 0.000 0.866 41 D CB -0.507 40.297 40.800 0.007 0.000 0.913 41 D HN 0.377 nan 8.370 nan 0.000 0.523 42 G N 0.209 108.996 108.800 -0.022 0.000 2.195 42 G HA2 -0.311 3.647 3.960 -0.004 0.000 0.246 42 G HA3 -0.311 3.647 3.960 -0.004 0.000 0.246 42 G C 0.326 175.208 174.900 -0.030 0.000 0.984 42 G CA -0.127 44.957 45.100 -0.026 0.000 0.633 42 G HN 0.451 nan 8.290 nan 0.000 0.525 43 R N 0.621 121.104 120.500 -0.028 0.000 2.590 43 R HA 0.466 4.803 4.340 -0.004 0.000 0.274 43 R C 0.423 176.692 176.300 -0.051 0.000 1.061 43 R CA 0.096 56.176 56.100 -0.033 0.000 1.081 43 R CB 0.391 30.676 30.300 -0.025 0.000 0.984 43 R HN 0.323 nan 8.270 nan 0.000 0.448 44 R N 3.031 123.500 120.500 -0.051 0.000 2.393 44 R HA 0.410 4.747 4.340 -0.004 0.000 0.310 44 R C -0.623 175.640 176.300 -0.062 0.000 0.968 44 R CA -0.599 55.463 56.100 -0.062 0.000 0.867 44 R CB 1.159 31.429 30.300 -0.050 0.000 1.124 44 R HN 0.332 nan 8.270 nan 0.000 0.450 45 L N 2.741 123.918 121.223 -0.077 0.000 2.341 45 L HA 0.464 4.801 4.340 -0.004 0.000 0.278 45 L C -0.189 176.653 176.870 -0.047 0.000 1.005 45 L CA -1.348 53.459 54.840 -0.056 0.000 0.818 45 L CB 2.013 44.049 42.059 -0.037 0.000 1.259 45 L HN 0.282 nan 8.230 nan 0.000 0.418 46 V N 1.383 121.277 119.914 -0.032 0.000 2.521 46 V HA -0.007 4.110 4.120 -0.004 0.000 0.286 46 V C 0.030 176.124 176.094 -0.000 0.000 1.034 46 V CA 0.027 62.316 62.300 -0.018 0.000 1.045 46 V CB 1.224 33.031 31.823 -0.027 0.000 0.974 46 V HN 0.678 nan 8.190 nan 0.000 0.480 47 D N 3.978 124.397 120.400 0.032 0.000 2.295 47 D HA 0.373 5.010 4.640 -0.004 0.000 0.248 47 D C 0.941 177.259 176.300 0.029 0.000 1.154 47 D CA 0.247 54.293 54.000 0.077 0.000 0.857 47 D CB 1.562 42.453 40.800 0.152 0.000 1.117 47 D HN 0.584 nan 8.370 nan 0.000 0.468 48 G N 3.097 111.870 108.800 -0.045 0.000 3.088 48 G HA2 -0.016 3.942 3.960 -0.004 0.000 0.217 48 G HA3 -0.016 3.942 3.960 -0.004 0.000 0.217 48 G C 0.918 175.736 174.900 -0.137 0.000 1.159 48 G CA -0.024 45.001 45.100 -0.125 0.000 0.760 48 G HN 0.430 nan 8.290 nan 0.000 0.550 49 M N -0.213 119.344 119.600 -0.072 0.000 2.379 49 M HA 0.254 4.731 4.480 -0.004 0.000 0.265 49 M C 1.377 177.667 176.300 -0.017 0.000 1.095 49 M CA 0.039 55.281 55.300 -0.098 0.000 1.075 49 M CB -0.196 32.324 32.600 -0.133 0.000 1.443 49 M HN 0.090 nan 8.290 nan 0.000 0.519 50 S N 1.403 117.126 115.700 0.039 0.000 3.587 50 S HA -0.150 4.318 4.470 -0.004 0.000 0.337 50 S C 0.479 175.126 174.600 0.079 0.000 1.119 50 S CA 0.695 58.912 58.200 0.029 0.000 0.976 50 S CB -1.747 61.439 63.200 -0.023 0.000 0.922 50 S HN 0.565 nan 8.310 nan 0.000 0.503 51 S N -0.613 115.147 115.700 0.100 0.000 3.631 51 S HA -0.202 4.265 4.470 -0.004 0.000 0.366 51 S C 0.072 174.783 174.600 0.185 0.000 0.993 51 S CA 0.983 59.214 58.200 0.052 0.000 1.167 51 S CB -1.491 61.788 63.200 0.133 0.000 0.909 51 S HN 0.930 nan 8.310 nan 0.000 0.478 52 W N -1.565 119.814 121.300 0.132 0.000 4.918 52 W HA -0.227 4.429 4.660 -0.006 0.000 0.433 52 W C 0.543 177.249 176.519 0.312 0.000 1.739 52 W CA 0.652 58.086 57.345 0.150 0.000 0.835 52 W CB -2.643 26.966 29.460 0.249 0.000 2.928 52 W HN 0.866 nan 8.180 nan 0.000 1.090 53 W N -3.082 118.385 121.300 0.278 0.000 0.609 53 W HA -0.395 4.261 4.660 -0.007 0.000 0.217 53 W C 1.913 178.460 176.519 0.047 0.000 0.921 53 W CA 2.771 60.215 57.345 0.165 0.000 0.337 53 W CB -2.282 27.282 29.460 0.173 0.000 1.916 53 W HN 0.364 nan 8.180 nan 0.000 1.242 54 A N 0.419 123.398 122.820 0.266 0.000 1.898 54 A HA 0.378 4.696 4.320 -0.004 0.000 0.216 54 A C 1.634 179.150 177.584 -0.113 0.000 1.181 54 A CA 1.814 53.902 52.037 0.084 0.000 0.620 54 A CB -0.907 18.160 19.000 0.111 0.000 0.819 54 A HN 0.847 nan 8.150 nan 0.000 0.442 55 A N 0.687 123.409 122.820 -0.163 0.000 3.118 55 A HA 0.451 4.769 4.320 -0.004 0.000 0.256 55 A C 1.202 178.519 177.584 -0.446 0.000 1.667 55 A CA 0.061 51.884 52.037 -0.358 0.000 1.338 55 A CB -1.267 17.396 19.000 -0.560 0.000 1.127 55 A HN 0.784 nan 8.150 nan 0.000 0.634 56 I N -2.916 117.297 120.570 -0.596 0.000 2.700 56 I HA -0.131 4.037 4.170 -0.004 0.000 0.261 56 I C 0.905 176.510 176.117 -0.855 0.000 1.219 56 I CA 1.175 61.901 61.300 -0.957 0.000 1.463 56 I CB -0.376 36.819 38.000 -1.341 0.000 1.092 56 I HN 0.466 nan 8.210 nan 0.000 0.452 57 H N 1.613 120.477 119.070 -0.344 0.000 2.505 57 H HA 0.452 5.004 4.556 -0.006 0.000 0.286 57 H C 1.380 176.637 175.328 -0.119 0.000 1.072 57 H CA 0.328 56.261 56.048 -0.193 0.000 1.141 57 H CB -0.083 29.511 29.762 -0.281 0.000 1.550 57 H HN 0.525 nan 8.280 nan 0.000 0.547 58 G N 0.833 109.518 108.800 -0.193 0.000 2.598 58 G HA2 -0.278 3.679 3.960 -0.004 0.000 0.244 58 G HA3 -0.278 3.679 3.960 -0.004 0.000 0.244 58 G C -1.000 173.634 174.900 -0.442 0.000 1.302 58 G CA -0.326 44.625 45.100 -0.249 0.000 0.903 58 G HN 0.327 nan 8.290 nan 0.000 0.575 59 Y N -0.274 120.057 120.300 0.052 0.000 2.587 59 Y HA 0.663 5.212 4.550 -0.003 0.000 0.337 59 Y C 1.174 177.104 175.900 0.049 0.000 1.065 59 Y CA -0.415 57.706 58.100 0.036 0.000 1.126 59 Y CB 1.290 39.746 38.460 -0.006 0.000 1.279 59 Y HN 0.709 nan 8.280 nan 0.000 0.489 60 N N 1.456 120.275 118.700 0.199 0.000 2.707 60 N HA -0.266 4.471 4.740 -0.004 0.000 0.253 60 N C -0.724 174.843 175.510 0.095 0.000 0.998 60 N CA 0.522 53.641 53.050 0.114 0.000 0.751 60 N CB -0.993 37.539 38.487 0.074 0.000 0.920 60 N HN 0.702 nan 8.380 nan 0.000 0.539 61 H N 1.042 120.124 119.070 0.020 0.000 2.819 61 H HA 0.101 4.655 4.556 -0.004 0.000 0.303 61 H C -1.305 174.014 175.328 -0.014 0.000 1.058 61 H CA -1.112 54.934 56.048 -0.003 0.000 1.471 61 H CB 1.235 30.982 29.762 -0.024 0.000 1.480 61 H HN 0.153 nan 8.280 nan 0.000 0.517 62 P HA -0.162 nan 4.420 nan 0.000 0.218 62 P C 0.931 178.266 177.300 0.058 0.000 1.148 62 P CA 1.267 64.346 63.100 -0.034 0.000 0.822 62 P CB 0.489 32.125 31.700 -0.106 0.000 0.784 63 Q N -0.579 119.334 119.800 0.187 0.000 2.083 63 Q HA -0.008 4.329 4.340 -0.004 0.000 0.198 63 Q C 2.490 178.551 176.000 0.101 0.000 0.969 63 Q CA 0.994 56.894 55.803 0.160 0.000 0.838 63 Q CB -0.690 28.166 28.738 0.198 0.000 0.900 63 Q HN 0.215 nan 8.270 nan 0.000 0.436 64 L N 0.695 121.996 121.223 0.130 0.000 2.017 64 L HA -0.220 4.117 4.340 -0.004 0.000 0.208 64 L C 1.851 178.738 176.870 0.028 0.000 1.073 64 L CA 0.913 55.761 54.840 0.012 0.000 0.745 64 L CB -0.517 41.533 42.059 -0.016 0.000 0.894 64 L HN 0.300 nan 8.230 nan 0.000 0.432 65 N N 0.402 119.135 118.700 0.055 0.000 2.084 65 N HA -0.160 4.578 4.740 -0.004 0.000 0.190 65 N C 1.862 177.384 175.510 0.020 0.000 1.030 65 N CA 1.662 54.732 53.050 0.033 0.000 0.849 65 N CB -0.452 38.055 38.487 0.034 0.000 1.012 65 N HN 0.304 nan 8.380 nan 0.000 0.423 66 A N 0.667 123.500 122.820 0.022 0.000 1.933 66 A HA 0.046 4.364 4.320 -0.004 0.000 0.218 66 A C 2.310 179.899 177.584 0.009 0.000 1.175 66 A CA 1.891 53.936 52.037 0.013 0.000 0.628 66 A CB -0.863 18.145 19.000 0.013 0.000 0.814 66 A HN 0.325 nan 8.150 nan 0.000 0.444 67 A N -0.457 122.368 122.820 0.008 0.000 1.877 67 A HA -0.122 4.195 4.320 -0.004 0.000 0.216 67 A C 2.274 179.857 177.584 -0.002 0.000 1.186 67 A CA 1.824 53.862 52.037 0.001 0.000 0.620 67 A CB -0.535 18.461 19.000 -0.008 0.000 0.822 67 A HN 0.525 nan 8.150 nan 0.000 0.443 68 M N -0.753 118.846 119.600 -0.002 0.000 2.086 68 M HA -0.157 4.320 4.480 -0.004 0.000 0.261 68 M C 2.159 178.458 176.300 -0.002 0.000 1.067 68 M CA 1.703 57.000 55.300 -0.004 0.000 1.116 68 M CB -0.362 32.236 32.600 -0.003 0.000 1.348 68 M HN 0.323 nan 8.290 nan 0.000 0.407 69 K N -0.288 120.112 120.400 0.001 0.000 2.097 69 K HA -0.079 4.238 4.320 -0.004 0.000 0.206 69 K C 2.122 178.723 176.600 0.001 0.000 1.049 69 K CA 1.499 57.787 56.287 0.001 0.000 0.933 69 K CB -0.156 32.346 32.500 0.003 0.000 0.717 69 K HN 0.209 nan 8.250 nan 0.000 0.442 70 S N 1.159 116.860 115.700 0.001 0.000 2.355 70 S HA -0.186 4.282 4.470 -0.004 0.000 0.222 70 S C 1.974 176.574 174.600 -0.001 0.000 1.031 70 S CA 1.269 59.469 58.200 0.001 0.000 0.993 70 S CB -0.176 63.026 63.200 0.003 0.000 0.859 70 S HN 0.250 nan 8.310 nan 0.000 0.453 71 Q N 1.264 121.062 119.800 -0.004 0.000 2.119 71 Q HA 0.071 4.408 4.340 -0.004 0.000 0.201 71 Q C 1.801 177.795 176.000 -0.010 0.000 0.972 71 Q CA 1.314 57.111 55.803 -0.010 0.000 0.847 71 Q CB -0.535 28.194 28.738 -0.015 0.000 0.903 71 Q HN 0.577 nan 8.270 nan 0.000 0.433 72 I N 0.516 121.084 120.570 -0.005 0.000 2.286 72 I HA -0.274 3.894 4.170 -0.004 0.000 0.248 72 I C 1.412 177.529 176.117 -0.000 0.000 1.115 72 I CA 1.278 62.578 61.300 -0.001 0.000 1.392 72 I CB -0.226 37.774 38.000 0.001 0.000 1.065 72 I HN 0.186 nan 8.210 nan 0.000 0.418 73 D N 0.712 121.112 120.400 -0.001 0.000 2.178 73 D HA -0.131 4.506 4.640 -0.004 0.000 0.201 73 D C 2.140 178.440 176.300 -0.001 0.000 0.980 73 D CA 1.490 55.490 54.000 0.000 0.000 0.842 73 D CB -0.009 40.791 40.800 0.001 0.000 0.948 73 D HN 0.389 nan 8.370 nan 0.000 0.472 74 A N 0.045 122.863 122.820 -0.004 0.000 1.850 74 A HA 0.268 4.585 4.320 -0.004 0.000 0.212 74 A C 0.956 178.533 177.584 -0.012 0.000 1.208 74 A CA 1.133 53.166 52.037 -0.006 0.000 0.609 74 A CB 0.003 18.998 19.000 -0.008 0.000 0.860 74 A HN 0.329 nan 8.150 nan 0.000 0.448 75 M N -2.610 116.978 119.600 -0.019 0.000 2.394 75 M HA 0.232 4.710 4.480 -0.004 0.000 0.246 75 M C 0.090 176.377 176.300 -0.022 0.000 0.967 75 M CA 0.176 55.464 55.300 -0.021 0.000 0.835 75 M CB 0.736 33.313 32.600 -0.039 0.000 2.169 75 M HN 0.200 nan 8.290 nan 0.000 0.479 76 S N 0.362 116.072 115.700 0.015 0.000 2.387 76 S HA 0.052 4.519 4.470 -0.004 0.000 0.226 76 S C 0.401 175.064 174.600 0.105 0.000 1.026 76 S CA 1.476 59.699 58.200 0.039 0.000 0.972 76 S CB -0.229 62.998 63.200 0.046 0.000 0.814 76 S HN 0.944 nan 8.310 nan 0.000 0.477 77 H N -1.050 118.022 119.070 0.004 0.000 2.996 77 H HA 0.739 5.292 4.556 -0.005 0.000 0.368 77 H C -1.651 173.690 175.328 0.022 0.000 1.185 77 H CA -0.433 55.636 56.048 0.034 0.000 1.160 77 H CB 2.135 31.994 29.762 0.161 0.000 1.820 77 H HN 0.146 nan 8.280 nan 0.000 0.547 78 V N 6.155 125.564 119.914 -0.842 0.000 2.932 78 V HA 0.340 4.457 4.120 -0.004 0.000 0.307 78 V C -0.241 175.467 176.094 -0.642 0.000 1.147 78 V CA -0.933 61.041 62.300 -0.545 0.000 0.951 78 V CB 1.760 33.474 31.823 -0.182 0.000 1.031 78 V HN 1.024 nan 8.190 nan 0.000 0.426 79 M N 4.042 123.470 119.600 -0.286 0.000 2.247 79 M HA 0.235 4.712 4.480 -0.004 0.000 0.318 79 M C -0.230 176.150 176.300 0.133 0.000 1.054 79 M CA 0.826 56.100 55.300 -0.043 0.000 1.117 79 M CB 0.050 32.649 32.600 -0.002 0.000 1.515 79 M HN 0.620 nan 8.290 nan 0.000 0.442 80 F N 1.113 121.055 119.950 -0.013 0.000 2.727 80 F HA 0.419 4.943 4.527 -0.005 0.000 0.302 80 F C 1.066 176.849 175.800 -0.027 0.000 1.097 80 F CA -0.688 57.306 58.000 -0.011 0.000 1.330 80 F CB 0.086 39.083 39.000 -0.005 0.000 1.084 80 F HN 0.770 nan 8.300 nan 0.000 0.578 81 G N -0.375 108.461 108.800 0.061 0.000 2.394 81 G HA2 0.417 4.375 3.960 -0.004 0.000 0.298 81 G HA3 0.417 4.375 3.960 -0.004 0.000 0.298 81 G C 1.026 175.892 174.900 -0.058 0.000 1.087 81 G CA 0.132 45.224 45.100 -0.013 0.000 1.035 81 G HN 0.647 nan 8.290 nan 0.000 0.420 82 G N 1.634 110.368 108.800 -0.110 0.000 2.179 82 G HA2 -0.263 3.694 3.960 -0.004 0.000 0.260 82 G HA3 -0.263 3.694 3.960 -0.004 0.000 0.260 82 G C 0.259 175.087 174.900 -0.120 0.000 0.977 82 G CA 0.525 45.564 45.100 -0.102 0.000 0.641 82 G HN 0.769 nan 8.290 nan 0.000 0.533 83 I N -0.238 120.232 120.570 -0.167 0.000 2.730 83 I HA 0.686 4.853 4.170 -0.004 0.000 0.298 83 I C 0.020 175.967 176.117 -0.282 0.000 1.089 83 I CA -0.734 60.486 61.300 -0.133 0.000 1.041 83 I CB 2.588 40.577 38.000 -0.018 0.000 1.235 83 I HN 0.106 nan 8.210 nan 0.000 0.423 84 T N 3.483 117.924 114.554 -0.188 0.000 2.865 84 T HA 0.634 4.981 4.350 -0.004 0.000 0.294 84 T C -1.593 173.082 174.700 -0.041 0.000 1.119 84 T CA -0.439 61.505 62.100 -0.259 0.000 1.007 84 T CB 1.337 70.037 68.868 -0.280 0.000 1.225 84 T HN 0.817 nan 8.240 nan 0.000 0.515 85 H N -0.535 118.603 119.070 0.113 0.000 3.014 85 H HA 0.631 5.184 4.556 -0.005 0.000 0.337 85 H C 0.768 176.143 175.328 0.078 0.000 1.320 85 H CA -0.478 55.619 56.048 0.082 0.000 1.128 85 H CB 1.083 30.896 29.762 0.086 0.000 1.862 85 H HN 0.679 nan 8.280 nan 0.000 0.536 86 A N 0.990 123.946 122.820 0.226 0.000 1.892 86 A HA -0.070 4.248 4.320 -0.004 0.000 0.218 86 A C -0.568 177.119 177.584 0.171 0.000 1.188 86 A CA 2.036 54.160 52.037 0.145 0.000 0.631 86 A CB -1.832 17.225 19.000 0.095 0.000 0.822 86 A HN 0.591 nan 8.150 nan 0.000 0.447 87 P HA -0.138 nan 4.420 nan 0.000 0.215 87 P C 1.711 179.124 177.300 0.188 0.000 1.153 87 P CA 2.016 65.231 63.100 0.192 0.000 0.853 87 P CB -0.132 31.658 31.700 0.150 0.000 0.788 88 A N -0.970 122.000 122.820 0.250 0.000 1.898 88 A HA -0.140 4.177 4.320 -0.004 0.000 0.216 88 A C 2.218 179.842 177.584 0.067 0.000 1.181 88 A CA 1.289 53.377 52.037 0.085 0.000 0.620 88 A CB -1.543 17.420 19.000 -0.062 0.000 0.819 88 A HN 0.103 nan 8.150 nan 0.000 0.442 89 I N -0.647 119.959 120.570 0.060 0.000 2.202 89 I HA -0.242 3.925 4.170 -0.004 0.000 0.242 89 I C 2.565 178.711 176.117 0.050 0.000 1.091 89 I CA 1.732 63.060 61.300 0.046 0.000 1.368 89 I CB -0.262 37.756 38.000 0.031 0.000 1.058 89 I HN 0.515 nan 8.210 nan 0.000 0.410 90 E N 0.955 121.190 120.200 0.058 0.000 2.077 90 E HA -0.273 4.074 4.350 -0.004 0.000 0.193 90 E C 2.219 178.850 176.600 0.050 0.000 0.989 90 E CA 1.229 57.660 56.400 0.051 0.000 0.800 90 E CB 0.009 29.739 29.700 0.050 0.000 0.746 90 E HN 0.294 nan 8.360 nan 0.000 0.452 91 L N 0.709 121.963 121.223 0.053 0.000 2.017 91 L HA -0.158 4.179 4.340 -0.004 0.000 0.208 91 L C 2.291 179.195 176.870 0.056 0.000 1.073 91 L CA 1.716 56.585 54.840 0.049 0.000 0.745 91 L CB -0.769 41.314 42.059 0.040 0.000 0.894 91 L HN 0.289 nan 8.230 nan 0.000 0.432 92 C N -0.412 118.920 119.300 0.053 0.000 2.435 92 C HA -0.081 4.376 4.460 -0.004 0.000 0.279 92 C C 2.758 177.778 174.990 0.049 0.000 1.321 92 C CA 0.540 59.590 59.018 0.052 0.000 1.752 92 C CB -1.122 26.649 27.740 0.051 0.000 1.959 92 C HN 0.501 nan 8.230 nan 0.000 0.500 93 R N 1.136 121.664 120.500 0.047 0.000 2.083 93 R HA -0.144 4.193 4.340 -0.004 0.000 0.237 93 R C 2.264 178.597 176.300 0.055 0.000 1.137 93 R CA 1.490 57.616 56.100 0.044 0.000 0.951 93 R CB -0.232 30.092 30.300 0.041 0.000 0.851 93 R HN 0.582 nan 8.270 nan 0.000 0.434 94 K N 0.528 120.967 120.400 0.066 0.000 2.026 94 K HA -0.110 4.207 4.320 -0.004 0.000 0.208 94 K C 2.172 178.840 176.600 0.112 0.000 1.048 94 K CA 1.236 57.576 56.287 0.087 0.000 0.929 94 K CB -0.194 32.359 32.500 0.088 0.000 0.713 94 K HN 0.111 nan 8.250 nan 0.000 0.439 95 L N 0.609 121.898 121.223 0.110 0.000 2.012 95 L HA -0.224 4.114 4.340 -0.004 0.000 0.210 95 L C 2.386 179.291 176.870 0.060 0.000 1.073 95 L CA 1.083 55.994 54.840 0.117 0.000 0.748 95 L CB -0.642 41.477 42.059 0.101 0.000 0.891 95 L HN 0.021 nan 8.230 nan 0.000 0.431 96 V N 0.169 120.107 119.914 0.040 0.000 2.287 96 V HA -0.312 3.805 4.120 -0.004 0.000 0.248 96 V C 2.736 178.845 176.094 0.024 0.000 1.053 96 V CA 1.949 64.259 62.300 0.016 0.000 1.027 96 V CB -0.885 30.947 31.823 0.016 0.000 0.646 96 V HN 0.503 nan 8.190 nan 0.000 0.447 97 A N 0.480 123.329 122.820 0.048 0.000 1.969 97 A HA -0.180 4.137 4.320 -0.004 0.000 0.218 97 A C 2.215 179.846 177.584 0.079 0.000 1.169 97 A CA 2.042 54.113 52.037 0.056 0.000 0.635 97 A CB -0.429 18.608 19.000 0.061 0.000 0.810 97 A HN 0.686 nan 8.150 nan 0.000 0.445 98 M N -0.716 118.954 119.600 0.116 0.000 2.541 98 M HA 0.108 4.585 4.480 -0.004 0.000 0.252 98 M C 0.648 177.065 176.300 0.195 0.000 1.125 98 M CA 0.945 56.356 55.300 0.185 0.000 1.091 98 M CB -0.582 32.178 32.600 0.267 0.000 1.420 98 M HN 0.273 nan 8.290 nan 0.000 0.486 99 T N -0.447 114.129 114.554 0.036 0.000 2.912 99 T HA 0.633 4.980 4.350 -0.004 0.000 0.280 99 T C -2.692 171.963 174.700 -0.076 0.000 0.989 99 T CA -1.732 60.282 62.100 -0.143 0.000 0.995 99 T CB 0.600 69.286 68.868 -0.303 0.000 1.077 99 T HN -0.003 nan 8.240 nan 0.000 0.531 100 P HA 0.050 nan 4.420 nan 0.000 0.267 100 P C 1.080 178.349 177.300 -0.052 0.000 1.200 100 P CA -0.286 62.779 63.100 -0.058 0.000 0.772 100 P CB 0.436 32.093 31.700 -0.071 0.000 0.855 101 Q N 3.741 123.524 119.800 -0.029 0.000 2.082 101 Q HA -0.201 4.136 4.340 -0.004 0.000 0.211 101 Q C -0.888 175.092 176.000 -0.034 0.000 1.002 101 Q CA 2.743 58.532 55.803 -0.024 0.000 0.868 101 Q CB -2.028 26.701 28.738 -0.013 0.000 0.931 101 Q HN 0.381 nan 8.270 nan 0.000 0.414 102 P HA -0.035 nan 4.420 nan 0.000 0.222 102 P C -0.089 177.174 177.300 -0.062 0.000 1.147 102 P CA 0.746 63.817 63.100 -0.048 0.000 0.790 102 P CB -0.155 31.515 31.700 -0.051 0.000 0.780 103 L N 1.148 122.326 121.223 -0.075 0.000 2.385 103 L HA 0.137 4.475 4.340 -0.004 0.000 0.285 103 L C 1.243 178.073 176.870 -0.066 0.000 1.125 103 L CA 0.226 55.013 54.840 -0.089 0.000 0.890 103 L CB -0.144 41.837 42.059 -0.129 0.000 1.251 103 L HN 0.110 nan 8.230 nan 0.000 0.445 104 E N 0.326 120.495 120.200 -0.052 0.000 2.676 104 E HA 0.163 4.510 4.350 -0.004 0.000 0.225 104 E C -0.330 176.259 176.600 -0.018 0.000 0.944 104 E CA -0.329 56.053 56.400 -0.030 0.000 1.156 104 E CB 0.485 30.172 29.700 -0.023 0.000 1.117 104 E HN 0.405 nan 8.360 nan 0.000 0.523 105 C N 1.867 121.152 119.300 -0.024 0.000 2.298 105 C HA 0.631 5.088 4.460 -0.004 0.000 0.323 105 C C 0.029 175.025 174.990 0.011 0.000 1.284 105 C CA -0.733 58.283 59.018 -0.004 0.000 1.577 105 C CB 0.932 28.665 27.740 -0.013 0.000 2.249 105 C HN 0.197 nan 8.230 nan 0.000 0.497 106 V N 3.511 123.451 119.914 0.045 0.000 2.417 106 V HA 0.429 4.546 4.120 -0.004 0.000 0.291 106 V C -0.563 175.611 176.094 0.133 0.000 1.024 106 V CA -0.380 61.961 62.300 0.068 0.000 0.861 106 V CB 1.376 33.230 31.823 0.052 0.000 0.985 106 V HN 0.756 nan 8.190 nan 0.000 0.436 107 F N 5.681 125.634 119.950 0.005 0.000 2.366 107 F HA 0.594 5.118 4.527 -0.006 0.000 0.366 107 F C -0.202 175.620 175.800 0.037 0.000 1.096 107 F CA -0.549 57.478 58.000 0.044 0.000 1.060 107 F CB 0.768 39.777 39.000 0.015 0.000 1.282 107 F HN 0.336 nan 8.300 nan 0.000 0.450 108 L N 5.961 127.063 121.223 -0.202 0.000 2.397 108 L HA 0.652 4.990 4.340 -0.004 0.000 0.271 108 L C 0.263 177.052 176.870 -0.135 0.000 1.148 108 L CA -0.181 54.579 54.840 -0.133 0.000 0.825 108 L CB 0.901 42.833 42.059 -0.211 0.000 1.117 108 L HN 0.778 nan 8.230 nan 0.000 0.456 109 A N 1.819 124.664 122.820 0.041 0.000 2.525 109 A HA 0.564 4.882 4.320 -0.004 0.000 0.291 109 A C -0.484 177.149 177.584 0.083 0.000 1.268 109 A CA -0.369 51.740 52.037 0.120 0.000 0.712 109 A CB 0.997 20.155 19.000 0.263 0.000 1.320 109 A HN 0.707 nan 8.150 nan 0.000 0.456 110 D N -0.164 120.300 120.400 0.107 0.000 2.414 110 D HA 0.185 4.823 4.640 -0.004 0.000 0.237 110 D C 0.966 177.301 176.300 0.058 0.000 0.975 110 D CA 1.247 55.289 54.000 0.070 0.000 0.917 110 D CB -0.229 40.617 40.800 0.077 0.000 1.061 110 D HN 0.615 nan 8.370 nan 0.000 0.480 111 S N -1.201 114.542 115.700 0.072 0.000 2.600 111 S HA 0.604 5.072 4.470 -0.004 0.000 0.300 111 S C 1.364 175.997 174.600 0.055 0.000 1.087 111 S CA -0.448 57.788 58.200 0.060 0.000 0.965 111 S CB 1.728 64.963 63.200 0.058 0.000 1.089 111 S HN 0.139 nan 8.310 nan 0.000 0.496 112 G N 1.552 110.379 108.800 0.044 0.000 2.476 112 G HA2 -0.193 3.764 3.960 -0.004 0.000 0.218 112 G HA3 -0.193 3.764 3.960 -0.004 0.000 0.218 112 G C 1.376 176.275 174.900 -0.001 0.000 1.164 112 G CA 1.198 46.312 45.100 0.023 0.000 0.768 112 G HN 0.755 nan 8.290 nan 0.000 0.560 113 S N -0.139 115.560 115.700 -0.002 0.000 2.374 113 S HA -0.141 4.326 4.470 -0.004 0.000 0.227 113 S C 2.479 177.077 174.600 -0.003 0.000 1.037 113 S CA 1.314 59.499 58.200 -0.025 0.000 1.024 113 S CB -0.309 62.883 63.200 -0.012 0.000 0.861 113 S HN 0.199 nan 8.310 nan 0.000 0.456 114 V N 1.774 121.710 119.914 0.036 0.000 2.427 114 V HA -0.151 3.966 4.120 -0.004 0.000 0.248 114 V C 2.603 178.693 176.094 -0.007 0.000 1.051 114 V CA 1.502 63.840 62.300 0.063 0.000 1.048 114 V CB -1.190 30.716 31.823 0.138 0.000 0.666 114 V HN 0.538 nan 8.190 nan 0.000 0.456 115 A N -0.190 122.633 122.820 0.005 0.000 1.940 115 A HA -0.173 4.144 4.320 -0.004 0.000 0.219 115 A C 2.391 179.926 177.584 -0.081 0.000 1.176 115 A CA 2.166 54.191 52.037 -0.018 0.000 0.631 115 A CB -0.633 18.376 19.000 0.015 0.000 0.814 115 A HN 0.346 nan 8.150 nan 0.000 0.446 116 V N 0.174 120.041 119.914 -0.078 0.000 2.379 116 V HA -0.192 3.925 4.120 -0.004 0.000 0.245 116 V C 2.462 178.477 176.094 -0.131 0.000 1.044 116 V CA 1.953 64.183 62.300 -0.117 0.000 1.036 116 V CB -0.678 31.076 31.823 -0.115 0.000 0.664 116 V HN 0.559 nan 8.190 nan 0.000 0.453 117 E N -0.025 120.124 120.200 -0.085 0.000 2.110 117 E HA -0.173 4.174 4.350 -0.004 0.000 0.193 117 E C 2.307 178.885 176.600 -0.037 0.000 0.988 117 E CA 1.354 57.730 56.400 -0.039 0.000 0.804 117 E CB -0.259 29.474 29.700 0.054 0.000 0.745 117 E HN 0.476 nan 8.360 nan 0.000 0.458 118 V N 1.524 121.347 119.914 -0.152 0.000 2.358 118 V HA -0.246 3.871 4.120 -0.004 0.000 0.246 118 V C 2.448 178.442 176.094 -0.167 0.000 1.047 118 V CA 1.783 63.953 62.300 -0.218 0.000 1.035 118 V CB -0.734 30.779 31.823 -0.517 0.000 0.658 118 V HN 0.257 nan 8.190 nan 0.000 0.452 119 A N -0.638 122.071 122.820 -0.184 0.000 1.902 119 A HA -0.246 4.071 4.320 -0.004 0.000 0.217 119 A C 2.235 179.777 177.584 -0.069 0.000 1.181 119 A CA 2.256 54.191 52.037 -0.171 0.000 0.623 119 A CB -0.476 18.429 19.000 -0.159 0.000 0.818 119 A HN 0.496 nan 8.150 nan 0.000 0.443 120 M N -0.767 118.799 119.600 -0.057 0.000 2.117 120 M HA -0.167 4.311 4.480 -0.004 0.000 0.262 120 M C 2.142 178.578 176.300 0.227 0.000 1.065 120 M CA 1.794 57.118 55.300 0.042 0.000 1.114 120 M CB -0.342 32.101 32.600 -0.261 0.000 1.361 120 M HN 0.319 nan 8.290 nan 0.000 0.408 121 K N 0.080 120.587 120.400 0.178 0.000 2.063 121 K HA -0.124 4.194 4.320 -0.004 0.000 0.208 121 K C 1.918 178.704 176.600 0.309 0.000 1.048 121 K CA 1.467 57.921 56.287 0.278 0.000 0.928 121 K CB -0.214 32.495 32.500 0.350 0.000 0.713 121 K HN 0.331 nan 8.250 nan 0.000 0.442 122 M N 0.330 120.009 119.600 0.132 0.000 2.080 122 M HA -0.203 4.274 4.480 -0.004 0.000 0.260 122 M C 2.447 178.754 176.300 0.012 0.000 1.068 122 M CA 1.778 57.022 55.300 -0.094 0.000 1.109 122 M CB -0.395 31.967 32.600 -0.396 0.000 1.342 122 M HN 0.250 nan 8.290 nan 0.000 0.405 123 A N 0.344 123.194 122.820 0.051 0.000 1.902 123 A HA -0.130 4.188 4.320 -0.004 0.000 0.217 123 A C 2.075 179.783 177.584 0.207 0.000 1.181 123 A CA 1.429 53.516 52.037 0.083 0.000 0.623 123 A CB -0.896 18.212 19.000 0.181 0.000 0.818 123 A HN 0.462 nan 8.150 nan 0.000 0.443 124 L N -1.255 120.111 121.223 0.239 0.000 2.027 124 L HA -0.204 4.134 4.340 -0.004 0.000 0.206 124 L C 2.886 179.876 176.870 0.199 0.000 1.074 124 L CA 1.487 56.463 54.840 0.227 0.000 0.745 124 L CB -0.650 41.537 42.059 0.214 0.000 0.898 124 L HN 0.448 nan 8.230 nan 0.000 0.433 125 Q N -0.949 118.962 119.800 0.185 0.000 2.170 125 Q HA -0.257 4.081 4.340 -0.004 0.000 0.203 125 Q C 2.120 178.180 176.000 0.101 0.000 0.976 125 Q CA 1.849 57.742 55.803 0.151 0.000 0.858 125 Q CB -0.181 28.683 28.738 0.209 0.000 0.907 125 Q HN 0.466 nan 8.270 nan 0.000 0.433 126 Y N -0.578 119.675 120.300 -0.079 0.000 2.114 126 Y HA -0.278 4.271 4.550 -0.002 0.000 0.284 126 Y C 1.553 177.292 175.900 -0.268 0.000 1.143 126 Y CA 1.872 59.821 58.100 -0.252 0.000 1.135 126 Y CB -0.509 37.686 38.460 -0.442 0.000 0.980 126 Y HN 0.124 nan 8.280 nan 0.000 0.499 127 W N 0.597 121.927 121.300 0.049 0.000 2.388 127 W HA -0.135 4.521 4.660 -0.006 0.000 0.294 127 W C 2.602 179.067 176.519 -0.090 0.000 1.212 127 W CA 1.205 58.511 57.345 -0.065 0.000 1.271 127 W CB -0.470 28.994 29.460 0.007 0.000 1.126 127 W HN 0.110 nan 8.180 nan 0.000 0.535 128 Q N 0.228 120.126 119.800 0.164 0.000 2.077 128 Q HA -0.236 4.101 4.340 -0.004 0.000 0.206 128 Q C 2.436 178.444 176.000 0.014 0.000 0.989 128 Q CA 2.244 58.097 55.803 0.083 0.000 0.853 128 Q CB -0.561 28.222 28.738 0.075 0.000 0.907 128 Q HN 0.306 nan 8.270 nan 0.000 0.418 129 A N 0.816 123.603 122.820 -0.054 0.000 1.933 129 A HA -0.187 4.131 4.320 -0.004 0.000 0.218 129 A C 1.683 179.188 177.584 -0.132 0.000 1.175 129 A CA 1.433 53.408 52.037 -0.103 0.000 0.628 129 A CB -0.227 18.682 19.000 -0.152 0.000 0.814 129 A HN 0.189 nan 8.150 nan 0.000 0.444 130 K N -1.153 119.137 120.400 -0.184 0.000 2.487 130 K HA 0.207 4.525 4.320 -0.004 0.000 0.192 130 K C 0.891 177.494 176.600 0.005 0.000 1.027 130 K CA 0.413 56.627 56.287 -0.122 0.000 1.054 130 K CB -0.138 32.258 32.500 -0.172 0.000 0.824 130 K HN 0.636 nan 8.250 nan 0.000 0.510 131 G N 2.238 111.051 108.800 0.021 0.000 2.221 131 G HA2 -0.291 3.666 3.960 -0.004 0.000 0.265 131 G HA3 -0.291 3.666 3.960 -0.004 0.000 0.265 131 G C -0.496 174.438 174.900 0.058 0.000 1.041 131 G CA 0.109 45.230 45.100 0.035 0.000 0.807 131 G HN 0.384 nan 8.290 nan 0.000 0.502 132 E N -0.054 120.210 120.200 0.107 0.000 2.151 132 E HA 0.633 4.980 4.350 -0.004 0.000 0.275 132 E C 0.602 177.211 176.600 0.015 0.000 0.936 132 E CA -0.095 56.346 56.400 0.068 0.000 0.777 132 E CB 1.093 30.855 29.700 0.103 0.000 1.108 132 E HN 0.641 nan 8.360 nan 0.000 0.401 133 A N 5.378 128.180 122.820 -0.030 0.000 2.785 133 A HA 0.153 4.471 4.320 -0.004 0.000 0.294 133 A C -0.241 177.255 177.584 -0.147 0.000 1.597 133 A CA 0.145 52.152 52.037 -0.051 0.000 1.283 133 A CB -0.246 18.736 19.000 -0.029 0.000 1.088 133 A HN 0.563 nan 8.150 nan 0.000 0.568 134 R N 2.041 122.438 120.500 -0.170 0.000 2.412 134 R HA 0.336 4.673 4.340 -0.004 0.000 0.304 134 R C -0.421 175.740 176.300 -0.231 0.000 1.066 134 R CA -0.123 55.779 56.100 -0.330 0.000 0.923 134 R CB 1.194 31.055 30.300 -0.732 0.000 1.156 134 R HN 0.798 nan 8.270 nan 0.000 0.513 135 Q N 1.134 120.792 119.800 -0.236 0.000 2.127 135 Q HA 0.212 4.549 4.340 -0.004 0.000 0.222 135 Q C -0.164 175.693 176.000 -0.238 0.000 0.794 135 Q CA -0.259 55.435 55.803 -0.181 0.000 1.010 135 Q CB 1.145 29.841 28.738 -0.070 0.000 1.170 135 Q HN 0.154 nan 8.270 nan 0.000 0.479 136 R N 0.234 120.526 120.500 -0.347 0.000 2.474 136 R HA 0.441 4.779 4.340 -0.004 0.000 0.295 136 R C -0.795 175.219 176.300 -0.477 0.000 0.980 136 R CA -0.350 55.566 56.100 -0.307 0.000 0.934 136 R CB 0.586 30.704 30.300 -0.302 0.000 1.101 136 R HN -0.069 nan 8.270 nan 0.000 0.469 137 F N 1.618 121.446 119.950 -0.202 0.000 2.443 137 F HA 0.379 4.903 4.527 -0.006 0.000 0.335 137 F C 0.231 175.847 175.800 -0.307 0.000 1.104 137 F CA -1.117 56.752 58.000 -0.219 0.000 1.013 137 F CB 1.297 40.175 39.000 -0.204 0.000 1.136 137 F HN 0.164 nan 8.300 nan 0.000 0.470 138 L N 2.859 124.002 121.223 -0.133 0.000 2.296 138 L HA 0.709 5.046 4.340 -0.004 0.000 0.286 138 L C -0.281 176.463 176.870 -0.210 0.000 1.023 138 L CA 0.250 54.947 54.840 -0.237 0.000 0.812 138 L CB 1.293 43.188 42.059 -0.274 0.000 1.223 138 L HN 0.683 nan 8.230 nan 0.000 0.421 139 T N 3.352 117.745 114.554 -0.268 0.000 2.804 139 T HA 0.606 4.954 4.350 -0.004 0.000 0.290 139 T C -1.084 173.611 174.700 -0.009 0.000 1.099 139 T CA -0.407 61.579 62.100 -0.190 0.000 1.011 139 T CB 0.582 69.349 68.868 -0.168 0.000 1.291 139 T HN 0.203 nan 8.240 nan 0.000 0.523 140 F N 2.125 122.118 119.950 0.073 0.000 2.379 140 F HA 0.591 5.113 4.527 -0.008 0.000 0.332 140 F C 1.368 177.264 175.800 0.161 0.000 1.096 140 F CA -1.204 56.827 58.000 0.051 0.000 1.105 140 F CB 0.776 39.724 39.000 -0.087 0.000 1.189 140 F HN 0.424 nan 8.300 nan 0.000 0.515 141 R N 1.689 122.393 120.500 0.341 0.000 2.738 141 R HA 0.081 4.419 4.340 -0.004 0.000 0.268 141 R C 0.460 176.840 176.300 0.133 0.000 1.062 141 R CA -0.004 56.226 56.100 0.217 0.000 1.158 141 R CB 0.147 30.509 30.300 0.104 0.000 1.046 141 R HN 0.697 nan 8.270 nan 0.000 0.493 142 N N -1.255 117.504 118.700 0.098 0.000 2.850 142 N HA -0.130 4.607 4.740 -0.004 0.000 0.249 142 N C -0.098 175.472 175.510 0.100 0.000 1.060 142 N CA 1.185 54.277 53.050 0.071 0.000 0.825 142 N CB -0.916 37.587 38.487 0.025 0.000 1.132 142 N HN 0.836 nan 8.380 nan 0.000 0.564 143 G N -0.372 108.513 108.800 0.142 0.000 2.448 143 G HA2 0.465 4.422 3.960 -0.004 0.000 0.285 143 G HA3 0.465 4.422 3.960 -0.004 0.000 0.285 143 G C -1.157 173.740 174.900 -0.004 0.000 1.176 143 G CA -0.155 44.987 45.100 0.071 0.000 0.852 143 G HN 0.210 nan 8.290 nan 0.000 0.530 144 Y N 0.585 120.647 120.300 -0.396 0.000 2.386 144 Y HA 0.469 5.016 4.550 -0.006 0.000 0.334 144 Y C 0.013 175.523 175.900 -0.650 0.000 1.002 144 Y CA -1.092 56.794 58.100 -0.356 0.000 1.068 144 Y CB 1.669 40.004 38.460 -0.209 0.000 1.203 144 Y HN 0.602 nan 8.280 nan 0.000 0.443 145 H N 3.859 122.489 119.070 -0.734 0.000 3.052 145 H HA 0.490 5.043 4.556 -0.006 0.000 0.257 145 H C 0.549 175.472 175.328 -0.674 0.000 1.193 145 H CA 0.336 56.051 56.048 -0.554 0.000 1.072 145 H CB 0.940 30.524 29.762 -0.297 0.000 1.685 145 H HN 0.889 nan 8.280 nan 0.000 0.630 146 G N 0.882 108.962 108.800 -1.200 0.000 2.343 146 G HA2 -0.211 3.746 3.960 -0.004 0.000 0.465 146 G HA3 -0.211 3.746 3.960 -0.004 0.000 0.465 146 G C -0.227 174.509 174.900 -0.273 0.000 1.282 146 G CA -0.599 44.161 45.100 -0.566 0.000 0.996 146 G HN 0.139 nan 8.290 nan 0.000 0.521 147 N N -0.299 118.378 118.700 -0.038 0.000 2.250 147 N HA 0.177 4.914 4.740 -0.004 0.000 0.190 147 N C 1.319 176.778 175.510 -0.085 0.000 1.116 147 N CA 1.054 54.119 53.050 0.024 0.000 0.881 147 N CB 0.527 39.065 38.487 0.086 0.000 1.006 147 N HN 0.995 nan 8.380 nan 0.000 0.491 148 T N -2.512 111.994 114.554 -0.081 0.000 2.828 148 T HA 0.225 4.572 4.350 -0.004 0.000 0.290 148 T C 1.374 176.024 174.700 -0.084 0.000 1.019 148 T CA -0.492 61.549 62.100 -0.099 0.000 1.031 148 T CB 0.406 69.271 68.868 -0.005 0.000 1.001 148 T HN -0.052 nan 8.240 nan 0.000 0.531 149 F N 0.888 120.847 119.950 0.015 0.000 2.161 149 F HA 0.025 4.549 4.527 -0.005 0.000 0.300 149 F C 2.763 178.562 175.800 -0.002 0.000 1.089 149 F CA 1.579 59.587 58.000 0.014 0.000 1.282 149 F CB -0.655 38.355 39.000 0.017 0.000 1.010 149 F HN 0.827 nan 8.300 nan 0.000 0.485 150 G N -0.737 108.159 108.800 0.161 0.000 2.394 150 G HA2 -0.159 3.799 3.960 -0.004 0.000 0.214 150 G HA3 -0.159 3.799 3.960 -0.004 0.000 0.214 150 G C 1.850 176.724 174.900 -0.043 0.000 1.176 150 G CA 0.683 45.807 45.100 0.039 0.000 0.786 150 G HN 0.433 nan 8.290 nan 0.000 0.533 151 A N 0.885 123.675 122.820 -0.050 0.000 1.883 151 A HA -0.065 4.252 4.320 -0.004 0.000 0.217 151 A C 2.445 180.003 177.584 -0.044 0.000 1.186 151 A CA 1.960 53.942 52.037 -0.091 0.000 0.624 151 A CB -0.438 18.489 19.000 -0.121 0.000 0.822 151 A HN 0.380 nan 8.150 nan 0.000 0.444 152 M N 0.640 120.241 119.600 0.002 0.000 2.267 152 M HA -0.144 4.333 4.480 -0.004 0.000 0.263 152 M C 2.180 178.553 176.300 0.121 0.000 1.063 152 M CA 1.586 56.924 55.300 0.063 0.000 1.090 152 M CB -0.388 32.255 32.600 0.072 0.000 1.392 152 M HN 0.649 nan 8.290 nan 0.000 0.422 153 S N -0.214 115.548 115.700 0.104 0.000 2.555 153 S HA -0.013 4.455 4.470 -0.004 0.000 0.230 153 S C 1.235 175.936 174.600 0.169 0.000 0.978 153 S CA 0.751 59.033 58.200 0.138 0.000 0.934 153 S CB -0.647 62.600 63.200 0.079 0.000 0.766 153 S HN 0.460 nan 8.310 nan 0.000 0.533 154 V N -1.942 118.043 119.914 0.119 0.000 3.253 154 V HA 0.454 4.571 4.120 -0.004 0.000 0.320 154 V C 0.656 176.960 176.094 0.351 0.000 1.442 154 V CA -0.742 61.642 62.300 0.140 0.000 1.097 154 V CB -1.150 30.617 31.823 -0.092 0.000 1.008 154 V HN 0.578 nan 8.190 nan 0.000 0.463 155 C N 1.583 121.059 119.300 0.292 0.000 2.466 155 C HA 0.576 5.033 4.460 -0.004 0.000 0.379 155 C C 0.654 175.780 174.990 0.226 0.000 1.251 155 C CA -0.313 58.844 59.018 0.233 0.000 2.263 155 C CB 0.467 28.299 27.740 0.153 0.000 2.511 155 C HN 0.747 nan 8.230 nan 0.000 0.573 156 D N 4.740 125.219 120.400 0.132 0.000 2.531 156 D HA 0.233 4.871 4.640 -0.004 0.000 0.239 156 D C -1.635 174.560 176.300 -0.175 0.000 1.144 156 D CA -0.077 53.879 54.000 -0.073 0.000 0.869 156 D CB 0.733 41.535 40.800 0.003 0.000 1.160 156 D HN 0.536 nan 8.370 nan 0.000 0.484 172 N N 1.688 120.424 118.700 0.061 0.000 2.671 172 N HA 0.567 5.304 4.740 -0.004 0.000 0.303 172 N C -0.646 174.730 175.510 -0.223 0.000 1.277 172 N CA -0.526 52.452 53.050 -0.120 0.000 0.933 172 N CB 1.032 39.399 38.487 -0.201 0.000 1.190 172 N HN 0.276 nan 8.380 nan 0.000 0.600 173 L N 0.976 121.958 121.223 -0.401 0.000 2.295 173 L HA 0.469 4.807 4.340 -0.004 0.000 0.285 173 L C -0.911 175.671 176.870 -0.481 0.000 1.035 173 L CA -0.506 54.136 54.840 -0.331 0.000 0.806 173 L CB 0.491 42.346 42.059 -0.339 0.000 1.214 173 L HN 0.303 nan 8.230 nan 0.000 0.426 174 F N 2.123 122.060 119.950 -0.023 0.000 2.403 174 F HA 0.581 5.105 4.527 -0.005 0.000 0.355 174 F C 0.618 176.450 175.800 0.053 0.000 1.119 174 F CA -0.564 57.454 58.000 0.029 0.000 1.007 174 F CB 1.492 40.517 39.000 0.041 0.000 1.194 174 F HN 0.466 nan 8.300 nan 0.000 0.443 175 A N 4.814 127.769 122.820 0.226 0.000 2.322 175 A HA 0.709 5.027 4.320 -0.004 0.000 0.269 175 A C -2.494 175.256 177.584 0.276 0.000 1.094 175 A CA -1.722 50.473 52.037 0.264 0.000 0.807 175 A CB 0.075 19.311 19.000 0.394 0.000 1.047 175 A HN 0.419 nan 8.150 nan 0.000 0.487 176 P HA 0.201 nan 4.420 nan 0.000 0.267 176 P C -0.218 177.030 177.300 -0.088 0.000 1.200 176 P CA 0.355 63.501 63.100 0.076 0.000 0.772 176 P CB 0.405 32.154 31.700 0.080 0.000 0.855 177 A N 5.001 127.732 122.820 -0.148 0.000 2.520 177 A HA 0.278 4.595 4.320 -0.004 0.000 0.245 177 A C -1.966 175.299 177.584 -0.533 0.000 1.072 177 A CA -1.012 50.811 52.037 -0.357 0.000 0.761 177 A CB -1.258 17.629 19.000 -0.187 0.000 1.004 177 A HN 0.398 nan 8.150 nan 0.000 0.499 178 P HA 0.017 nan 4.420 nan 0.000 0.262 178 P C 0.184 177.323 177.300 -0.268 0.000 1.199 178 P CA 0.265 62.800 63.100 -0.942 0.000 0.763 178 P CB 0.654 31.315 31.700 -1.731 0.000 0.790 179 Q N 0.973 120.769 119.800 -0.007 0.000 2.165 179 Q HA 0.038 4.375 4.340 -0.004 0.000 0.197 179 Q C 0.482 176.551 176.000 0.116 0.000 0.952 179 Q CA 0.890 56.715 55.803 0.037 0.000 0.848 179 Q CB -0.480 28.268 28.738 0.017 0.000 0.931 179 Q HN 0.412 nan 8.270 nan 0.000 0.470 180 S N 2.157 117.985 115.700 0.214 0.000 2.525 180 S HA 0.127 4.595 4.470 -0.004 0.000 0.285 180 S C 0.210 175.033 174.600 0.371 0.000 1.283 180 S CA 0.052 58.409 58.200 0.261 0.000 1.072 180 S CB 0.455 63.833 63.200 0.297 0.000 0.867 180 S HN 0.131 nan 8.310 nan 0.000 0.492 181 R N 1.503 122.173 120.500 0.283 0.000 2.500 181 R HA 0.386 4.723 4.340 -0.004 0.000 0.277 181 R C 0.490 176.912 176.300 0.203 0.000 1.026 181 R CA -0.934 55.300 56.100 0.224 0.000 1.058 181 R CB 0.436 30.816 30.300 0.132 0.000 1.078 181 R HN 0.499 nan 8.270 nan 0.000 0.509 185 E N -0.051 120.286 120.200 0.229 0.000 2.280 185 E HA 0.353 4.700 4.350 -0.004 0.000 0.261 185 E C -0.557 176.169 176.600 0.210 0.000 1.088 185 E CA -0.812 55.728 56.400 0.233 0.000 0.915 185 E CB 1.934 31.713 29.700 0.132 0.000 1.141 185 E HN 0.521 nan 8.360 nan 0.000 0.433 186 W N 1.884 123.101 121.300 -0.138 0.000 2.438 186 W HA 0.239 4.902 4.660 0.005 0.000 0.324 186 W C -1.072 175.350 176.519 -0.161 0.000 1.119 186 W CA -0.424 56.744 57.345 -0.295 0.000 1.221 186 W CB 1.378 30.536 29.460 -0.504 0.000 1.253 186 W HN 0.421 nan 8.180 nan 0.000 0.555 187 D N 4.087 123.922 120.400 -0.941 0.000 2.462 187 D HA 0.064 4.702 4.640 -0.004 0.000 0.245 187 D C 0.746 176.391 176.300 -1.092 0.000 1.122 187 D CA -0.202 53.352 54.000 -0.744 0.000 0.864 187 D CB 1.474 42.025 40.800 -0.415 0.000 1.098 187 D HN 0.479 nan 8.370 nan 0.000 0.541 188 E N 2.700 122.451 120.200 -0.748 0.000 2.273 188 E HA -0.202 4.145 4.350 -0.004 0.000 0.198 188 E C 1.705 178.090 176.600 -0.358 0.000 1.002 188 E CA 1.083 57.205 56.400 -0.462 0.000 0.828 188 E CB 0.077 29.707 29.700 -0.118 0.000 0.747 188 E HN 0.465 nan 8.360 nan 0.000 0.491 189 R N 0.100 120.415 120.500 -0.307 0.000 2.148 189 R HA -0.144 4.193 4.340 -0.004 0.000 0.227 189 R C 1.554 177.760 176.300 -0.156 0.000 1.103 189 R CA 1.395 57.390 56.100 -0.175 0.000 0.983 189 R CB -0.189 30.034 30.300 -0.129 0.000 0.874 189 R HN 0.125 nan 8.270 nan 0.000 0.451 190 D N 0.280 120.509 120.400 -0.284 0.000 2.190 190 D HA -0.190 4.448 4.640 -0.004 0.000 0.200 190 D C 1.437 177.782 176.300 0.075 0.000 0.992 190 D CA 1.110 55.034 54.000 -0.127 0.000 0.854 190 D CB 0.094 40.711 40.800 -0.306 0.000 0.936 190 D HN 0.217 nan 8.370 nan 0.000 0.462 191 M N -0.270 119.261 119.600 -0.115 0.000 2.619 191 M HA -0.034 4.444 4.480 -0.004 0.000 0.251 191 M C 1.950 178.373 176.300 0.205 0.000 1.106 191 M CA 0.173 55.506 55.300 0.054 0.000 1.086 191 M CB -0.166 32.392 32.600 -0.070 0.000 1.465 191 M HN -0.049 nan 8.290 nan 0.000 0.506 192 V N 0.452 120.444 119.914 0.130 0.000 2.233 192 V HA -0.219 3.898 4.120 -0.004 0.000 0.247 192 V C 2.640 178.837 176.094 0.171 0.000 1.050 192 V CA 2.348 64.721 62.300 0.121 0.000 1.010 192 V CB -1.764 30.099 31.823 0.066 0.000 0.637 192 V HN 0.522 nan 8.190 nan 0.000 0.444 193 G N -1.209 107.705 108.800 0.191 0.000 2.469 193 G HA2 -0.342 3.615 3.960 -0.004 0.000 0.219 193 G HA3 -0.342 3.615 3.960 -0.004 0.000 0.219 193 G C 1.604 176.659 174.900 0.258 0.000 1.150 193 G CA 1.235 46.454 45.100 0.197 0.000 0.763 193 G HN 0.489 nan 8.290 nan 0.000 0.561 194 F N 1.996 122.093 119.950 0.245 0.000 2.128 194 F HA 0.183 4.710 4.527 -0.001 0.000 0.295 194 F C 2.842 178.758 175.800 0.193 0.000 1.100 194 F CA 1.387 59.552 58.000 0.275 0.000 1.260 194 F CB -0.096 39.201 39.000 0.496 0.000 1.009 194 F HN 0.220 nan 8.300 nan 0.000 0.476 195 A N 0.497 123.556 122.820 0.398 0.000 1.933 195 A HA -0.206 4.111 4.320 -0.004 0.000 0.218 195 A C 2.259 179.909 177.584 0.110 0.000 1.175 195 A CA 1.719 53.902 52.037 0.243 0.000 0.628 195 A CB -0.863 18.263 19.000 0.210 0.000 0.814 195 A HN 0.475 nan 8.150 nan 0.000 0.444 196 R N -0.280 120.280 120.500 0.101 0.000 2.080 196 R HA -0.110 4.227 4.340 -0.004 0.000 0.236 196 R C 2.003 178.329 176.300 0.044 0.000 1.137 196 R CA 1.822 57.960 56.100 0.064 0.000 0.943 196 R CB -0.498 29.844 30.300 0.070 0.000 0.846 196 R HN 0.498 nan 8.270 nan 0.000 0.431 197 L N 0.120 121.361 121.223 0.028 0.000 2.012 197 L HA -0.233 4.104 4.340 -0.004 0.000 0.210 197 L C 2.702 179.577 176.870 0.009 0.000 1.073 197 L CA 1.395 56.256 54.840 0.035 0.000 0.748 197 L CB -0.424 41.592 42.059 -0.072 0.000 0.891 197 L HN 0.342 nan 8.230 nan 0.000 0.431 198 M N 0.140 119.681 119.600 -0.098 0.000 2.080 198 M HA -0.204 4.273 4.480 -0.004 0.000 0.260 198 M C 2.301 178.602 176.300 0.002 0.000 1.068 198 M CA 2.222 57.479 55.300 -0.072 0.000 1.109 198 M CB -0.595 31.980 32.600 -0.043 0.000 1.342 198 M HN 0.203 nan 8.290 nan 0.000 0.405 199 A N -0.537 122.292 122.820 0.015 0.000 1.902 199 A HA 0.028 4.345 4.320 -0.004 0.000 0.217 199 A C 2.344 179.918 177.584 -0.016 0.000 1.181 199 A CA 2.214 54.257 52.037 0.010 0.000 0.623 199 A CB -1.414 17.594 19.000 0.013 0.000 0.818 199 A HN 0.665 nan 8.150 nan 0.000 0.443 200 A N -2.075 120.713 122.820 -0.052 0.000 1.968 200 A HA -0.060 4.257 4.320 -0.004 0.000 0.217 200 A C 1.731 179.146 177.584 -0.281 0.000 1.169 200 A CA 1.323 53.243 52.037 -0.194 0.000 0.638 200 A CB -0.443 18.391 19.000 -0.277 0.000 0.812 200 A HN 0.663 nan 8.150 nan 0.000 0.446 201 H N -1.320 117.761 119.070 0.018 0.000 2.785 201 H HA 0.094 4.647 4.556 -0.005 0.000 0.268 201 H C 1.691 176.921 175.328 -0.164 0.000 1.153 201 H CA 0.403 56.401 56.048 -0.082 0.000 1.111 201 H CB 0.153 29.813 29.762 -0.170 0.000 1.633 201 H HN 0.670 nan 8.280 nan 0.000 0.576 202 R N 1.722 122.251 120.500 0.047 0.000 2.170 202 R HA -0.175 4.163 4.340 -0.004 0.000 0.242 202 R C 1.514 177.767 176.300 -0.078 0.000 1.145 202 R CA 1.763 57.850 56.100 -0.022 0.000 0.984 202 R CB -0.893 29.416 30.300 0.014 0.000 0.869 202 R HN 0.461 nan 8.270 nan 0.000 0.455 203 H N -0.355 118.647 119.070 -0.114 0.000 2.529 203 H HA 0.121 4.674 4.556 -0.004 0.000 0.277 203 H C 0.790 175.997 175.328 -0.201 0.000 0.999 203 H CA 0.906 56.864 56.048 -0.149 0.000 1.256 203 H CB -0.009 29.688 29.762 -0.108 0.000 1.402 203 H HN 0.450 nan 8.280 nan 0.000 0.566 204 E N 0.454 120.219 120.200 -0.726 0.000 2.511 204 E HA 0.247 4.594 4.350 -0.004 0.000 0.209 204 E C -0.035 176.281 176.600 -0.473 0.000 0.986 204 E CA -0.251 55.783 56.400 -0.610 0.000 0.974 204 E CB 0.644 29.948 29.700 -0.659 0.000 1.030 204 E HN 0.334 nan 8.360 nan 0.000 0.490 205 I N 1.224 121.530 120.570 -0.440 0.000 2.337 205 I HA 0.082 4.249 4.170 -0.004 0.000 0.291 205 I C 1.165 176.977 176.117 -0.508 0.000 1.046 205 I CA -0.259 60.794 61.300 -0.411 0.000 1.324 205 I CB 1.555 39.382 38.000 -0.289 0.000 1.409 205 I HN 0.034 nan 8.210 nan 0.000 0.494 206 A N 5.668 128.168 122.820 -0.533 0.000 1.898 206 A HA 0.476 4.793 4.320 -0.004 0.000 0.214 206 A C 1.024 178.601 177.584 -0.012 0.000 1.183 206 A CA 1.241 53.057 52.037 -0.369 0.000 0.622 206 A CB 0.053 18.805 19.000 -0.413 0.000 0.824 206 A HN 0.777 nan 8.150 nan 0.000 0.444 207 A N -2.124 120.565 122.820 -0.218 0.000 2.612 207 A HA 0.573 4.890 4.320 -0.004 0.000 0.293 207 A C -1.260 176.326 177.584 0.003 0.000 1.075 207 A CA -0.364 51.669 52.037 -0.008 0.000 0.680 207 A CB 0.791 19.857 19.000 0.110 0.000 1.279 207 A HN 0.440 nan 8.150 nan 0.000 0.411 208 V N 1.710 121.637 119.914 0.022 0.000 2.427 208 V HA 0.566 4.683 4.120 -0.004 0.000 0.286 208 V C -0.317 175.759 176.094 -0.031 0.000 1.034 208 V CA -0.280 62.019 62.300 -0.002 0.000 0.893 208 V CB 1.359 33.211 31.823 0.048 0.000 0.982 208 V HN 0.735 nan 8.190 nan 0.000 0.452 209 I N 7.377 127.889 120.570 -0.096 0.000 2.447 209 I HA 0.695 4.862 4.170 -0.004 0.000 0.287 209 I C -0.831 175.168 176.117 -0.196 0.000 1.023 209 I CA -0.490 60.696 61.300 -0.191 0.000 1.083 209 I CB 1.021 38.820 38.000 -0.334 0.000 1.245 209 I HN 0.738 nan 8.210 nan 0.000 0.434 210 I N 2.753 123.269 120.570 -0.089 0.000 3.006 210 I HA 0.554 4.721 4.170 -0.004 0.000 0.306 210 I C -1.364 174.891 176.117 0.231 0.000 1.250 210 I CA -0.899 60.448 61.300 0.079 0.000 0.996 210 I CB 2.325 40.283 38.000 -0.071 0.000 1.261 210 I HN 0.476 nan 8.210 nan 0.000 0.442 211 E N 4.198 124.589 120.200 0.319 0.000 2.194 211 E HA 0.356 4.704 4.350 -0.004 0.000 0.284 211 E C -2.449 174.311 176.600 0.267 0.000 1.035 211 E CA -1.722 54.813 56.400 0.225 0.000 0.836 211 E CB 0.846 30.634 29.700 0.146 0.000 1.070 211 E HN 0.388 nan 8.360 nan 0.000 0.401 212 P HA 0.020 nan 4.420 nan 0.000 0.276 212 P C 0.611 177.885 177.300 -0.044 0.000 1.243 212 P CA -0.031 63.155 63.100 0.144 0.000 0.768 212 P CB 0.645 32.406 31.700 0.103 0.000 0.856 213 I N 0.346 120.660 120.570 -0.426 0.000 4.270 213 I HA -0.272 3.896 4.170 -0.004 0.000 0.084 213 I C 0.367 176.143 176.117 -0.569 0.000 0.554 213 I CA 1.470 62.315 61.300 -0.759 0.000 1.128 213 I CB -2.069 35.739 38.000 -0.319 0.000 1.004 213 I HN 0.172 nan 8.210 nan 0.000 0.177 214 V N 3.683 123.493 119.914 -0.174 0.000 2.357 214 V HA 0.335 4.452 4.120 -0.004 0.000 0.284 214 V C 0.399 176.548 176.094 0.092 0.000 1.018 214 V CA -0.467 61.828 62.300 -0.009 0.000 0.841 214 V CB 1.565 33.425 31.823 0.062 0.000 0.991 214 V HN 0.230 nan 8.190 nan 0.000 0.437 215 Q N 3.141 123.035 119.800 0.156 0.000 2.377 215 Q HA 0.363 4.700 4.340 -0.004 0.000 0.249 215 Q C 1.035 177.109 176.000 0.123 0.000 1.005 215 Q CA 0.057 55.952 55.803 0.153 0.000 0.912 215 Q CB 1.840 30.679 28.738 0.169 0.000 1.223 215 Q HN 0.936 nan 8.270 nan 0.000 0.459 216 G N 1.794 110.663 108.800 0.115 0.000 2.629 216 G HA2 -0.121 3.836 3.960 -0.004 0.000 0.213 216 G HA3 -0.121 3.836 3.960 -0.004 0.000 0.213 216 G C 1.138 176.132 174.900 0.157 0.000 1.425 216 G CA 0.662 45.887 45.100 0.208 0.000 0.929 216 G HN 0.655 nan 8.290 nan 0.000 0.527 217 A N 0.273 123.133 122.820 0.067 0.000 2.076 217 A HA 0.146 4.463 4.320 -0.004 0.000 0.220 217 A C 2.426 179.997 177.584 -0.021 0.000 1.160 217 A CA 2.032 53.993 52.037 -0.128 0.000 0.653 217 A CB -0.788 17.784 19.000 -0.715 0.000 0.801 217 A HN 0.732 nan 8.150 nan 0.000 0.455 218 G N -2.119 106.708 108.800 0.045 0.000 2.920 218 G HA2 0.364 4.321 3.960 -0.004 0.000 0.208 218 G HA3 0.364 4.321 3.960 -0.004 0.000 0.208 218 G C 0.843 175.785 174.900 0.070 0.000 1.159 218 G CA 0.793 45.931 45.100 0.064 0.000 0.784 218 G HN 1.502 nan 8.290 nan 0.000 0.535 219 G N -0.864 107.983 108.800 0.077 0.000 3.784 219 G HA2 -0.071 3.886 3.960 -0.004 0.000 0.220 219 G HA3 -0.071 3.886 3.960 -0.004 0.000 0.220 219 G C 0.594 175.487 174.900 -0.012 0.000 0.895 219 G CA -0.040 45.074 45.100 0.022 0.000 0.939 219 G HN 0.227 nan 8.290 nan 0.000 0.708 220 M N 0.279 119.885 119.600 0.011 0.000 2.206 220 M HA -0.156 4.322 4.480 -0.004 0.000 0.197 220 M C 0.537 176.851 176.300 0.024 0.000 0.375 220 M CA 0.930 56.227 55.300 -0.004 0.000 0.410 220 M CB -1.915 30.596 32.600 -0.150 0.000 1.204 220 M HN 0.586 nan 8.290 nan 0.000 0.932 221 R N -0.070 120.464 120.500 0.057 0.000 2.459 221 R HA 0.699 5.037 4.340 -0.004 0.000 0.281 221 R C 0.239 176.594 176.300 0.091 0.000 1.050 221 R CA -0.248 55.895 56.100 0.071 0.000 1.055 221 R CB 0.863 31.211 30.300 0.080 0.000 1.045 221 R HN 0.356 nan 8.270 nan 0.000 0.495 222 M N 3.486 123.132 119.600 0.077 0.000 2.067 222 M HA 0.284 4.762 4.480 -0.004 0.000 0.286 222 M C -1.307 175.036 176.300 0.072 0.000 0.922 222 M CA -0.763 54.545 55.300 0.015 0.000 0.937 222 M CB 1.298 33.892 32.600 -0.009 0.000 1.550 222 M HN 0.548 nan 8.290 nan 0.000 0.433 223 Y N -1.011 119.317 120.300 0.046 0.000 2.631 223 Y HA 0.614 5.164 4.550 0.001 0.000 0.328 223 Y C -0.166 175.848 175.900 0.191 0.000 1.118 223 Y CA -1.287 56.882 58.100 0.116 0.000 1.206 223 Y CB 0.594 39.087 38.460 0.054 0.000 1.337 223 Y HN 0.479 nan 8.280 nan 0.000 0.515 224 H N 2.527 121.900 119.070 0.505 0.000 2.803 224 H HA 0.175 4.730 4.556 -0.002 0.000 0.330 224 H C -1.959 173.604 175.328 0.392 0.000 1.057 224 H CA -2.062 54.219 56.048 0.389 0.000 1.458 224 H CB 1.782 31.843 29.762 0.498 0.000 1.470 224 H HN 0.503 nan 8.280 nan 0.000 0.560 225 P HA -0.117 nan 4.420 nan 0.000 0.225 225 P C 1.199 178.652 177.300 0.255 0.000 1.148 225 P CA 0.812 64.040 63.100 0.214 0.000 0.779 225 P CB 0.384 32.119 31.700 0.058 0.000 0.780 226 E N -0.953 119.445 120.200 0.330 0.000 2.160 226 E HA -0.197 4.150 4.350 -0.004 0.000 0.195 226 E C 1.618 178.037 176.600 -0.302 0.000 0.991 226 E CA 1.298 57.534 56.400 -0.272 0.000 0.810 226 E CB -0.971 28.076 29.700 -1.088 0.000 0.742 226 E HN 0.258 nan 8.360 nan 0.000 0.466 227 W N 0.321 121.639 121.300 0.029 0.000 2.321 227 W HA -0.173 4.481 4.660 -0.010 0.000 0.306 227 W C 2.004 178.588 176.519 0.108 0.000 1.217 227 W CA 1.248 58.699 57.345 0.176 0.000 1.257 227 W CB -0.194 29.497 29.460 0.384 0.000 1.145 227 W HN 0.135 nan 8.180 nan 0.000 0.509 228 L N -0.212 121.251 121.223 0.401 0.000 2.056 228 L HA -0.190 4.147 4.340 -0.004 0.000 0.207 228 L C 2.331 179.269 176.870 0.113 0.000 1.078 228 L CA 1.297 56.288 54.840 0.253 0.000 0.749 228 L CB -0.902 41.295 42.059 0.229 0.000 0.901 228 L HN -0.071 nan 8.230 nan 0.000 0.433 229 K N -0.276 120.151 120.400 0.044 0.000 2.032 229 K HA -0.165 4.152 4.320 -0.004 0.000 0.209 229 K C 2.350 178.924 176.600 -0.044 0.000 1.048 229 K CA 1.238 57.511 56.287 -0.024 0.000 0.927 229 K CB -0.105 32.343 32.500 -0.086 0.000 0.712 229 K HN 0.189 nan 8.250 nan 0.000 0.441 230 R N 0.677 121.121 120.500 -0.094 0.000 2.073 230 R HA -0.069 4.268 4.340 -0.004 0.000 0.234 230 R C 2.365 178.657 176.300 -0.013 0.000 1.134 230 R CA 1.239 57.287 56.100 -0.087 0.000 0.952 230 R CB -0.655 29.539 30.300 -0.177 0.000 0.850 230 R HN 0.254 nan 8.270 nan 0.000 0.433 231 I N 0.555 121.138 120.570 0.023 0.000 2.208 231 I HA -0.289 3.879 4.170 -0.004 0.000 0.245 231 I C 2.711 178.868 176.117 0.067 0.000 1.097 231 I CA 1.251 62.571 61.300 0.034 0.000 1.363 231 I CB -0.233 37.788 38.000 0.035 0.000 1.051 231 I HN 0.033 nan 8.210 nan 0.000 0.413 232 R N 1.433 121.965 120.500 0.052 0.000 2.081 232 R HA -0.174 4.163 4.340 -0.004 0.000 0.235 232 R C 2.059 178.383 176.300 0.040 0.000 1.131 232 R CA 1.668 57.793 56.100 0.042 0.000 0.960 232 R CB -0.212 30.106 30.300 0.029 0.000 0.856 232 R HN 0.019 nan 8.270 nan 0.000 0.436 233 K N 0.102 120.521 120.400 0.030 0.000 2.057 233 K HA 0.026 4.344 4.320 -0.004 0.000 0.206 233 K C 1.930 178.563 176.600 0.054 0.000 1.050 233 K CA 1.529 57.834 56.287 0.030 0.000 0.935 233 K CB -0.284 32.221 32.500 0.008 0.000 0.715 233 K HN 0.228 nan 8.250 nan 0.000 0.439 234 I N -0.224 120.394 120.570 0.080 0.000 2.252 234 I HA -0.332 3.836 4.170 -0.004 0.000 0.245 234 I C 1.992 178.181 176.117 0.120 0.000 1.102 234 I CA 0.862 62.235 61.300 0.122 0.000 1.385 234 I CB -0.163 37.963 38.000 0.210 0.000 1.064 234 I HN 0.132 nan 8.210 nan 0.000 0.414 235 C N 0.543 119.913 119.300 0.117 0.000 2.429 235 C HA -0.170 4.287 4.460 -0.004 0.000 0.277 235 C C 2.460 177.501 174.990 0.086 0.000 1.262 235 C CA 0.741 59.821 59.018 0.103 0.000 1.733 235 C CB -1.006 26.787 27.740 0.089 0.000 2.010 235 C HN 0.519 nan 8.230 nan 0.000 0.483 236 D N 0.208 120.648 120.400 0.067 0.000 2.116 236 D HA -0.168 4.470 4.640 -0.004 0.000 0.193 236 D C 2.266 178.604 176.300 0.063 0.000 0.998 236 D CA 1.230 55.264 54.000 0.056 0.000 0.836 236 D CB -0.524 40.299 40.800 0.039 0.000 0.951 236 D HN 0.505 nan 8.370 nan 0.000 0.449 237 R N 0.501 121.038 120.500 0.062 0.000 2.092 237 R HA -0.091 4.246 4.340 -0.004 0.000 0.231 237 R C 1.393 177.731 176.300 0.064 0.000 1.119 237 R CA 1.071 57.206 56.100 0.058 0.000 0.970 237 R CB 0.242 30.576 30.300 0.057 0.000 0.864 237 R HN 0.055 nan 8.270 nan 0.000 0.440 238 E N -1.076 119.168 120.200 0.073 0.000 2.472 238 E HA 0.090 4.437 4.350 -0.004 0.000 0.196 238 E C 0.825 177.482 176.600 0.095 0.000 1.033 238 E CA 0.733 57.172 56.400 0.065 0.000 0.886 238 E CB 0.971 30.700 29.700 0.048 0.000 0.944 238 E HN 0.570 nan 8.360 nan 0.000 0.492 239 G N 2.079 110.958 108.800 0.132 0.000 2.147 239 G HA2 -0.286 3.672 3.960 -0.004 0.000 0.244 239 G HA3 -0.286 3.672 3.960 -0.004 0.000 0.244 239 G C 0.261 175.367 174.900 0.342 0.000 1.005 239 G CA 0.199 45.432 45.100 0.221 0.000 0.713 239 G HN 0.242 nan 8.290 nan 0.000 0.515 240 I N 0.672 121.376 120.570 0.223 0.000 2.472 240 I HA 0.349 4.517 4.170 -0.004 0.000 0.290 240 I C 1.227 177.453 176.117 0.182 0.000 1.016 240 I CA -0.899 60.547 61.300 0.244 0.000 1.348 240 I CB 1.045 39.099 38.000 0.090 0.000 1.417 240 I HN -0.028 nan 8.210 nan 0.000 0.521 241 L N 5.932 127.268 121.223 0.188 0.000 2.416 241 L HA 0.178 4.515 4.340 -0.004 0.000 0.272 241 L C -0.366 176.510 176.870 0.010 0.000 1.161 241 L CA -0.332 54.514 54.840 0.010 0.000 0.845 241 L CB 0.662 42.666 42.059 -0.092 0.000 1.119 241 L HN 0.392 nan 8.230 nan 0.000 0.464 242 L N 5.331 126.539 121.223 -0.026 0.000 2.280 242 L HA 0.488 4.825 4.340 -0.004 0.000 0.287 242 L C -0.419 176.419 176.870 -0.053 0.000 1.023 242 L CA 0.117 54.945 54.840 -0.020 0.000 0.819 242 L CB 1.003 43.059 42.059 -0.005 0.000 1.212 242 L HN 0.340 nan 8.230 nan 0.000 0.420 243 I N 5.530 126.068 120.570 -0.054 0.000 2.312 243 I HA 0.503 4.671 4.170 -0.004 0.000 0.290 243 I C 0.148 176.218 176.117 -0.078 0.000 1.008 243 I CA -0.487 60.763 61.300 -0.083 0.000 1.226 243 I CB 1.521 39.461 38.000 -0.100 0.000 1.371 243 I HN 0.775 nan 8.210 nan 0.000 0.468 244 A N 5.024 127.802 122.820 -0.070 0.000 2.249 244 A HA 0.301 4.619 4.320 -0.004 0.000 0.314 244 A C -0.446 177.112 177.584 -0.043 0.000 1.290 244 A CA -0.490 51.525 52.037 -0.038 0.000 0.893 244 A CB 0.385 19.362 19.000 -0.038 0.000 1.165 244 A HN 0.659 nan 8.150 nan 0.000 0.530 245 D N 2.736 123.139 120.400 0.005 0.000 2.441 245 D HA 0.139 4.777 4.640 -0.004 0.000 0.221 245 D C 0.153 176.453 176.300 0.001 0.000 1.156 245 D CA 0.118 54.131 54.000 0.021 0.000 0.896 245 D CB 0.517 41.414 40.800 0.162 0.000 1.028 245 D HN 0.580 nan 8.370 nan 0.000 0.509 246 E N 3.533 123.711 120.200 -0.037 0.000 2.499 246 E HA 0.108 4.455 4.350 -0.004 0.000 0.207 246 E C 1.500 178.061 176.600 -0.066 0.000 1.034 246 E CA -0.208 56.163 56.400 -0.048 0.000 1.098 246 E CB 0.602 30.287 29.700 -0.025 0.000 1.148 246 E HN 0.607 nan 8.360 nan 0.000 0.447 247 I N 0.823 121.347 120.570 -0.076 0.000 2.361 247 I HA -0.245 3.922 4.170 -0.004 0.000 0.251 247 I C 2.319 178.321 176.117 -0.193 0.000 1.133 247 I CA 1.165 62.422 61.300 -0.072 0.000 1.413 247 I CB 0.029 37.995 38.000 -0.057 0.000 1.073 247 I HN 0.134 nan 8.210 nan 0.000 0.424 248 A N 0.225 122.804 122.820 -0.401 0.000 1.924 248 A HA -0.082 4.235 4.320 -0.004 0.000 0.211 248 A C 2.310 179.537 177.584 -0.595 0.000 1.198 248 A CA 1.337 52.828 52.037 -0.911 0.000 0.657 248 A CB -0.825 17.243 19.000 -1.552 0.000 0.852 248 A HN 0.421 nan 8.150 nan 0.000 0.454 249 T N -2.013 112.352 114.554 -0.315 0.000 3.088 249 T HA 0.281 4.628 4.350 -0.004 0.000 0.259 249 T C 1.094 175.761 174.700 -0.055 0.000 1.122 249 T CA 0.447 62.482 62.100 -0.109 0.000 1.095 249 T CB -0.517 68.323 68.868 -0.046 0.000 0.930 249 T HN 0.437 nan 8.240 nan 0.000 0.508 250 G N 0.356 109.109 108.800 -0.079 0.000 2.594 250 G HA2 0.404 4.361 3.960 -0.004 0.000 0.243 250 G HA3 0.404 4.361 3.960 -0.004 0.000 0.243 250 G C -0.253 174.484 174.900 -0.272 0.000 1.229 250 G CA -0.831 44.116 45.100 -0.255 0.000 0.843 250 G HN 0.434 nan 8.290 nan 0.000 0.578 251 F N -0.579 119.062 119.950 -0.515 0.000 3.058 251 F HA -0.216 4.313 4.527 0.002 0.000 0.295 251 F C 1.754 177.231 175.800 -0.538 0.000 0.875 251 F CA 1.123 58.790 58.000 -0.556 0.000 1.150 251 F CB -1.402 37.425 39.000 -0.288 0.000 1.175 251 F HN 1.552 nan 8.300 nan 0.000 0.599 252 G N -0.968 107.475 108.800 -0.595 0.000 2.213 252 G HA2 -0.395 3.563 3.960 -0.004 0.000 0.226 252 G HA3 -0.395 3.563 3.960 -0.004 0.000 0.226 252 G C 0.833 175.663 174.900 -0.117 0.000 0.992 252 G CA 0.468 45.158 45.100 -0.684 0.000 0.632 252 G HN 0.513 nan 8.290 nan 0.000 0.511 253 R N 1.484 122.038 120.500 0.091 0.000 2.103 253 R HA -0.082 4.255 4.340 -0.004 0.000 0.242 253 R C 2.740 179.155 176.300 0.192 0.000 1.142 253 R CA 3.058 59.306 56.100 0.247 0.000 0.960 253 R CB -0.963 29.560 30.300 0.371 0.000 0.858 253 R HN 0.772 nan 8.270 nan 0.000 0.439 254 T N -4.182 110.470 114.554 0.164 0.000 3.129 254 T HA 0.285 4.633 4.350 -0.004 0.000 0.251 254 T C 1.265 176.104 174.700 0.231 0.000 1.117 254 T CA 0.500 62.721 62.100 0.202 0.000 1.034 254 T CB 0.417 69.432 68.868 0.245 0.000 0.968 254 T HN 0.421 nan 8.240 nan 0.000 0.526 255 G N 0.828 109.750 108.800 0.204 0.000 2.218 255 G HA2 -0.146 3.811 3.960 -0.004 0.000 0.216 255 G HA3 -0.146 3.811 3.960 -0.004 0.000 0.216 255 G C -0.051 175.013 174.900 0.273 0.000 0.994 255 G CA -0.211 45.024 45.100 0.225 0.000 0.637 255 G HN 0.631 nan 8.290 nan 0.000 0.505 256 K N -0.449 120.052 120.400 0.169 0.000 2.350 256 K HA 0.654 4.971 4.320 -0.004 0.000 0.241 256 K C 0.872 177.451 176.600 -0.034 0.000 0.994 256 K CA -0.867 55.484 56.287 0.108 0.000 0.839 256 K CB 2.236 34.604 32.500 -0.220 0.000 1.244 256 K HN 0.044 nan 8.250 nan 0.000 0.443 257 L N 0.843 122.013 121.223 -0.088 0.000 2.012 257 L HA -0.010 4.327 4.340 -0.004 0.000 0.210 257 L C -0.136 176.138 176.870 -0.994 0.000 1.073 257 L CA 1.966 56.424 54.840 -0.638 0.000 0.748 257 L CB -0.033 41.779 42.059 -0.410 0.000 0.891 257 L HN 0.443 nan 8.230 nan 0.000 0.431 258 F N -2.588 117.255 119.950 -0.179 0.000 2.565 258 F HA 0.521 5.034 4.527 -0.023 0.000 0.313 258 F C 0.995 176.722 175.800 -0.122 0.000 1.091 258 F CA -0.422 57.464 58.000 -0.190 0.000 0.915 258 F CB 1.169 40.047 39.000 -0.203 0.000 1.208 258 F HN -0.191 nan 8.300 nan 0.000 0.453 259 A N 0.311 123.194 122.820 0.105 0.000 2.067 259 A HA -0.114 4.203 4.320 -0.004 0.000 0.219 259 A C 1.902 179.574 177.584 0.146 0.000 1.158 259 A CA 1.489 53.618 52.037 0.154 0.000 0.661 259 A CB -1.141 17.948 19.000 0.148 0.000 0.801 259 A HN 0.900 nan 8.150 nan 0.000 0.452 260 C N -0.431 118.929 119.300 0.100 0.000 2.409 260 C HA -0.095 4.362 4.460 -0.004 0.000 0.284 260 C C 2.452 177.472 174.990 0.049 0.000 1.354 260 C CA 1.117 60.180 59.018 0.074 0.000 1.787 260 C CB -1.339 26.419 27.740 0.030 0.000 1.900 260 C HN 0.671 nan 8.230 nan 0.000 0.520 261 E N -0.503 119.699 120.200 0.003 0.000 2.204 261 E HA -0.194 4.154 4.350 -0.004 0.000 0.195 261 E C 1.801 178.345 176.600 -0.094 0.000 0.990 261 E CA 0.816 57.183 56.400 -0.056 0.000 0.821 261 E CB -0.171 29.475 29.700 -0.090 0.000 0.750 261 E HN 0.733 nan 8.360 nan 0.000 0.477 262 H N -0.568 118.519 119.070 0.028 0.000 2.460 262 H HA -0.091 4.486 4.556 0.034 0.000 0.297 262 H C 1.522 176.854 175.328 0.007 0.000 1.103 262 H CA 1.479 57.531 56.048 0.008 0.000 1.292 262 H CB 0.109 29.863 29.762 -0.013 0.000 1.376 262 H HN 0.176 nan 8.280 nan 0.000 0.531 263 A N 0.043 122.936 122.820 0.122 0.000 2.431 263 A HA 0.120 4.437 4.320 -0.004 0.000 0.239 263 A C 0.478 178.088 177.584 0.043 0.000 1.230 263 A CA -0.154 51.932 52.037 0.081 0.000 0.928 263 A CB 0.299 19.357 19.000 0.097 0.000 1.006 263 A HN 0.331 nan 8.150 nan 0.000 0.520 264 E N -0.998 119.221 120.200 0.031 0.000 2.199 264 E HA -0.225 4.122 4.350 -0.004 0.000 0.208 264 E C -0.775 175.833 176.600 0.014 0.000 1.310 264 E CA 0.553 56.963 56.400 0.015 0.000 0.709 264 E CB -1.262 28.444 29.700 0.010 0.000 1.127 264 E HN 0.550 nan 8.360 nan 0.000 0.354 265 I N 0.043 120.624 120.570 0.018 0.000 2.785 265 I HA 0.566 4.733 4.170 -0.004 0.000 0.302 265 I C -0.539 175.576 176.117 -0.003 0.000 1.069 265 I CA -0.458 60.850 61.300 0.012 0.000 1.045 265 I CB 1.928 39.945 38.000 0.029 0.000 1.236 265 I HN 0.150 nan 8.210 nan 0.000 0.429 266 A N 7.098 129.908 122.820 -0.017 0.000 2.331 266 A HA 0.895 5.212 4.320 -0.004 0.000 0.320 266 A C -2.681 174.876 177.584 -0.045 0.000 1.138 266 A CA -1.376 50.636 52.037 -0.042 0.000 0.790 266 A CB 0.624 19.596 19.000 -0.047 0.000 1.206 266 A HN 0.416 nan 8.150 nan 0.000 0.470 267 P HA 0.290 nan 4.420 nan 0.000 0.279 267 P C -0.377 176.869 177.300 -0.090 0.000 1.276 267 P CA -0.262 62.798 63.100 -0.066 0.000 0.801 267 P CB 1.079 32.733 31.700 -0.076 0.000 1.127 268 D N -0.502 119.837 120.400 -0.100 0.000 2.249 268 D HA 0.119 4.756 4.640 -0.004 0.000 0.205 268 D C 0.586 176.790 176.300 -0.161 0.000 0.962 268 D CA 1.216 55.133 54.000 -0.138 0.000 0.860 268 D CB 0.454 41.151 40.800 -0.172 0.000 0.955 268 D HN 0.314 nan 8.370 nan 0.000 0.505 269 I N 0.986 121.468 120.570 -0.147 0.000 2.619 269 I HA 0.237 4.404 4.170 -0.004 0.000 0.292 269 I C -1.332 174.701 176.117 -0.140 0.000 1.100 269 I CA -0.920 60.287 61.300 -0.155 0.000 1.043 269 I CB 3.005 40.905 38.000 -0.167 0.000 1.239 269 I HN -0.240 nan 8.210 nan 0.000 0.420 270 L N 6.630 127.765 121.223 -0.148 0.000 2.381 270 L HA 0.630 4.967 4.340 -0.004 0.000 0.274 270 L C -1.086 175.707 176.870 -0.129 0.000 0.988 270 L CA -0.027 54.720 54.840 -0.156 0.000 0.824 270 L CB 1.373 43.300 42.059 -0.220 0.000 1.263 270 L HN 0.658 nan 8.230 nan 0.000 0.410 271 C N 5.447 124.684 119.300 -0.105 0.000 2.355 271 C HA 0.767 5.225 4.460 -0.004 0.000 0.332 271 C C -0.180 174.785 174.990 -0.041 0.000 1.255 271 C CA -0.903 58.076 59.018 -0.065 0.000 1.792 271 C CB 0.566 28.270 27.740 -0.060 0.000 2.300 271 C HN 0.729 nan 8.230 nan 0.000 0.515 272 L N 2.462 123.692 121.223 0.012 0.000 2.393 272 L HA 0.939 5.277 4.340 -0.004 0.000 0.260 272 L C 0.316 177.263 176.870 0.127 0.000 1.002 272 L CA -0.074 54.821 54.840 0.092 0.000 0.818 272 L CB 2.187 44.352 42.059 0.177 0.000 1.369 272 L HN 0.900 nan 8.230 nan 0.000 0.412 276 L N 1.544 122.575 121.223 -0.320 0.000 2.043 276 L HA -0.103 4.235 4.340 -0.004 0.000 0.212 276 L C 2.120 178.774 176.870 -0.359 0.000 1.075 276 L CA 3.374 57.893 54.840 -0.535 0.000 0.752 276 L CB -0.577 41.412 42.059 -0.116 0.000 0.891 276 L HN 0.632 nan 8.230 nan 0.000 0.432 277 T N -3.959 110.478 114.554 -0.196 0.000 3.122 277 T HA 0.394 4.741 4.350 -0.004 0.000 0.250 277 T C 1.298 175.926 174.700 -0.121 0.000 1.067 277 T CA 0.176 62.197 62.100 -0.132 0.000 0.966 277 T CB -0.372 68.452 68.868 -0.074 0.000 1.002 277 T HN 0.660 nan 8.240 nan 0.000 0.542 278 G N 1.143 109.840 108.800 -0.172 0.000 2.203 278 G HA2 0.050 4.008 3.960 -0.004 0.000 0.263 278 G HA3 0.050 4.008 3.960 -0.004 0.000 0.263 278 G C 1.016 175.822 174.900 -0.156 0.000 1.012 278 G CA 0.213 45.217 45.100 -0.161 0.000 0.749 278 G HN 1.825 nan 8.290 nan 0.000 0.512 279 G N -1.712 107.020 108.800 -0.113 0.000 2.198 279 G HA2 -0.031 3.926 3.960 -0.004 0.000 0.257 279 G HA3 -0.031 3.926 3.960 -0.004 0.000 0.257 279 G C 1.273 176.148 174.900 -0.043 0.000 1.042 279 G CA 1.732 46.790 45.100 -0.069 0.000 0.791 279 G HN 2.162 nan 8.290 nan 0.000 0.502 280 T N -3.033 111.499 114.554 -0.036 0.000 3.031 280 T HA 0.530 4.878 4.350 -0.004 0.000 0.254 280 T C 1.118 175.815 174.700 -0.004 0.000 1.060 280 T CA 1.495 63.587 62.100 -0.013 0.000 1.135 280 T CB 0.014 68.870 68.868 -0.020 0.000 0.896 280 T HN 1.540 nan 8.240 nan 0.000 0.472 281 M N -0.623 118.970 119.600 -0.012 0.000 2.790 281 M HA 0.472 4.949 4.480 -0.004 0.000 0.272 281 M C -1.089 175.205 176.300 -0.011 0.000 1.168 281 M CA -0.927 54.365 55.300 -0.014 0.000 0.829 281 M CB 1.531 34.110 32.600 -0.034 0.000 1.675 281 M HN -0.151 nan 8.290 nan 0.000 0.505 282 T N 1.423 115.970 114.554 -0.011 0.000 2.919 282 T HA 0.647 4.994 4.350 -0.004 0.000 0.302 282 T C -1.095 173.600 174.700 -0.008 0.000 1.031 282 T CA -0.013 62.089 62.100 0.002 0.000 1.127 282 T CB 0.317 69.189 68.868 0.007 0.000 0.952 282 T HN 0.627 nan 8.240 nan 0.000 0.540 283 L N 3.676 124.905 121.223 0.009 0.000 2.731 283 L HA 0.626 4.964 4.340 -0.004 0.000 0.256 283 L C -1.069 175.822 176.870 0.035 0.000 0.947 283 L CA -0.141 54.706 54.840 0.011 0.000 0.914 283 L CB 1.862 43.917 42.059 -0.007 0.000 1.470 283 L HN 0.848 nan 8.230 nan 0.000 0.421 284 S N 2.046 117.774 115.700 0.047 0.000 2.671 284 S HA 1.065 5.532 4.470 -0.004 0.000 0.277 284 S C -1.157 173.489 174.600 0.078 0.000 1.165 284 S CA -0.170 58.071 58.200 0.070 0.000 0.822 284 S CB 1.903 65.145 63.200 0.069 0.000 1.150 284 S HN 1.845 nan 8.310 nan 0.000 0.479 285 A N 0.570 123.444 122.820 0.089 0.000 2.540 285 A HA 0.736 5.054 4.320 -0.004 0.000 0.297 285 A C -0.811 176.815 177.584 0.069 0.000 1.056 285 A CA -0.666 51.427 52.037 0.093 0.000 0.700 285 A CB 1.488 20.539 19.000 0.086 0.000 1.280 285 A HN 0.823 nan 8.150 nan 0.000 0.398 286 T N 2.607 117.214 114.554 0.088 0.000 2.786 286 T HA 0.578 4.925 4.350 -0.004 0.000 0.283 286 T C -0.638 174.057 174.700 -0.008 0.000 0.992 286 T CA -0.095 62.009 62.100 0.006 0.000 0.954 286 T CB 0.376 69.217 68.868 -0.045 0.000 0.934 286 T HN 0.416 nan 8.240 nan 0.000 0.440 287 L N 2.684 123.869 121.223 -0.062 0.000 2.325 287 L HA 0.807 5.144 4.340 -0.004 0.000 0.278 287 L C 0.644 177.443 176.870 -0.117 0.000 1.023 287 L CA -0.203 54.591 54.840 -0.075 0.000 0.811 287 L CB 2.005 44.008 42.059 -0.094 0.000 1.249 287 L HN 0.613 nan 8.230 nan 0.000 0.431 288 T N -0.715 113.770 114.554 -0.115 0.000 2.696 288 T HA 0.620 4.968 4.350 -0.004 0.000 0.291 288 T C -0.441 174.189 174.700 -0.117 0.000 1.095 288 T CA -0.087 61.927 62.100 -0.143 0.000 1.026 288 T CB 1.369 70.122 68.868 -0.192 0.000 1.390 288 T HN 0.764 nan 8.240 nan 0.000 0.513 289 T N -0.163 114.314 114.554 -0.128 0.000 2.847 289 T HA 0.433 4.781 4.350 -0.004 0.000 0.279 289 T C 1.227 175.881 174.700 -0.077 0.000 0.984 289 T CA -0.473 61.569 62.100 -0.097 0.000 0.988 289 T CB 0.977 69.784 68.868 -0.102 0.000 1.040 289 T HN 0.601 nan 8.240 nan 0.000 0.528 290 R N 0.109 120.578 120.500 -0.052 0.000 2.081 290 R HA -0.077 4.260 4.340 -0.004 0.000 0.235 290 R C 2.493 178.777 176.300 -0.027 0.000 1.131 290 R CA 1.384 57.465 56.100 -0.033 0.000 0.960 290 R CB -0.479 29.808 30.300 -0.022 0.000 0.856 290 R HN 0.808 nan 8.270 nan 0.000 0.436 291 E N -0.042 120.141 120.200 -0.029 0.000 2.070 291 E HA -0.185 4.162 4.350 -0.004 0.000 0.197 291 E C 1.833 178.452 176.600 0.032 0.000 1.004 291 E CA 1.810 58.210 56.400 0.000 0.000 0.805 291 E CB -0.090 29.607 29.700 -0.003 0.000 0.744 291 E HN 0.201 nan 8.360 nan 0.000 0.451 292 V N 1.136 121.017 119.914 -0.055 0.000 2.270 292 V HA -0.238 3.879 4.120 -0.004 0.000 0.245 292 V C 2.583 178.664 176.094 -0.022 0.000 1.043 292 V CA 1.861 64.114 62.300 -0.078 0.000 1.014 292 V CB -0.977 30.674 31.823 -0.286 0.000 0.645 292 V HN 0.341 nan 8.190 nan 0.000 0.447 293 A N -0.539 122.245 122.820 -0.059 0.000 1.940 293 A HA -0.257 4.061 4.320 -0.004 0.000 0.219 293 A C 2.163 179.750 177.584 0.006 0.000 1.176 293 A CA 1.966 53.982 52.037 -0.036 0.000 0.631 293 A CB -0.489 18.491 19.000 -0.033 0.000 0.814 293 A HN 0.638 nan 8.150 nan 0.000 0.446 294 E N -1.231 118.973 120.200 0.006 0.000 2.208 294 E HA -0.088 4.259 4.350 -0.004 0.000 0.193 294 E C 1.790 178.393 176.600 0.005 0.000 0.988 294 E CA 1.364 57.769 56.400 0.008 0.000 0.828 294 E CB -0.107 29.593 29.700 0.001 0.000 0.763 294 E HN 0.594 nan 8.360 nan 0.000 0.478 295 T N 1.200 115.761 114.554 0.013 0.000 2.976 295 T HA -0.009 4.339 4.350 -0.004 0.000 0.257 295 T C 2.034 176.716 174.700 -0.029 0.000 1.051 295 T CA 0.564 62.645 62.100 -0.032 0.000 1.141 295 T CB -0.019 68.828 68.868 -0.035 0.000 0.881 295 T HN 0.279 nan 8.240 nan 0.000 0.461 296 I N -0.803 119.789 120.570 0.036 0.000 2.761 296 I HA 0.094 4.261 4.170 -0.004 0.000 0.261 296 I C 2.229 178.387 176.117 0.070 0.000 1.198 296 I CA 0.762 62.102 61.300 0.066 0.000 1.482 296 I CB -0.279 37.788 38.000 0.110 0.000 1.100 296 I HN -0.023 nan 8.210 nan 0.000 0.445 297 S N 1.593 117.323 115.700 0.050 0.000 2.388 297 S HA 0.029 4.497 4.470 -0.004 0.000 0.223 297 S C 1.490 176.105 174.600 0.025 0.000 1.034 297 S CA 0.843 59.073 58.200 0.049 0.000 0.963 297 S CB -0.252 62.974 63.200 0.043 0.000 0.827 297 S HN 0.504 nan 8.310 nan 0.000 0.481 298 N N 1.556 120.259 118.700 0.005 0.000 2.434 298 N HA 0.151 4.888 4.740 -0.004 0.000 0.196 298 N C 0.511 176.013 175.510 -0.013 0.000 1.183 298 N CA 0.046 53.093 53.050 -0.006 0.000 0.849 298 N CB 0.050 38.526 38.487 -0.017 0.000 0.992 298 N HN 0.332 nan 8.380 nan 0.000 0.460 305 M N 6.374 125.611 119.600 -0.606 0.000 3.436 305 M HA 0.203 4.680 4.480 -0.004 0.000 0.240 305 M C -1.009 174.909 176.300 -0.637 0.000 1.469 305 M CA 0.569 55.590 55.300 -0.465 0.000 1.622 305 M CB -1.503 30.942 32.600 -0.260 0.000 1.098 305 M HN 0.719 nan 8.290 nan 0.000 0.568 306 H N -0.638 118.107 119.070 -0.542 0.000 3.029 306 H HA 0.593 5.147 4.556 -0.003 0.000 0.358 306 H C -0.587 174.889 175.328 0.247 0.000 1.129 306 H CA -0.386 55.527 56.048 -0.225 0.000 1.230 306 H CB 1.804 31.244 29.762 -0.537 0.000 1.827 306 H HN 0.623 nan 8.280 nan 0.000 0.530 307 G N 4.521 113.505 108.800 0.307 0.000 2.718 307 G HA2 0.231 4.188 3.960 -0.004 0.000 0.302 307 G HA3 0.231 4.188 3.960 -0.004 0.000 0.302 307 G C -3.094 171.936 174.900 0.216 0.000 2.393 307 G CA -0.910 44.388 45.100 0.329 0.000 0.854 307 G HN 0.367 nan 8.290 nan 0.000 0.388 308 P HA 0.306 nan 4.420 nan 0.000 0.271 308 P C 1.361 178.738 177.300 0.128 0.000 1.216 308 P CA -0.239 62.983 63.100 0.203 0.000 0.776 308 P CB 1.149 33.002 31.700 0.255 0.000 0.881 309 T N 0.924 115.524 114.554 0.076 0.000 2.653 309 T HA -0.176 4.171 4.350 -0.004 0.000 0.268 309 T C 0.837 175.450 174.700 -0.146 0.000 1.035 309 T CA 1.680 63.739 62.100 -0.068 0.000 1.154 309 T CB -0.691 68.078 68.868 -0.165 0.000 0.862 309 T HN 0.376 nan 8.240 nan 0.000 0.441 310 F N 0.593 120.559 119.950 0.026 0.000 2.660 310 F HA 0.422 4.946 4.527 -0.005 0.000 0.297 310 F C 0.779 176.597 175.800 0.029 0.000 1.132 310 F CA -0.639 57.342 58.000 -0.033 0.000 1.372 310 F CB -0.533 38.343 39.000 -0.207 0.000 1.003 310 F HN 0.104 nan 8.300 nan 0.000 0.524 311 M N 0.480 120.159 119.600 0.132 0.000 2.255 311 M HA 0.135 4.613 4.480 -0.004 0.000 0.356 311 M C 1.366 177.505 176.300 -0.267 0.000 1.338 311 M CA 1.458 56.732 55.300 -0.044 0.000 0.962 311 M CB 0.133 32.708 32.600 -0.040 0.000 1.877 311 M HN 0.527 nan 8.290 nan 0.000 0.463 312 G N 3.370 111.892 108.800 -0.464 0.000 2.155 312 G HA2 -0.344 3.613 3.960 -0.004 0.000 0.257 312 G HA3 -0.344 3.613 3.960 -0.004 0.000 0.257 312 G C 0.006 174.822 174.900 -0.140 0.000 0.983 312 G CA 0.570 45.237 45.100 -0.722 0.000 0.676 312 G HN 0.994 nan 8.290 nan 0.000 0.528 313 N N 1.054 119.792 118.700 0.064 0.000 2.142 313 N HA 0.160 4.897 4.740 -0.004 0.000 0.282 313 N C -0.240 175.321 175.510 0.085 0.000 1.342 313 N CA -0.117 53.074 53.050 0.234 0.000 0.831 313 N CB 0.674 39.258 38.487 0.162 0.000 1.083 313 N HN 0.153 nan 8.380 nan 0.000 0.492 314 P HA -0.185 nan 4.420 nan 0.000 0.216 314 P C 1.435 178.702 177.300 -0.054 0.000 1.153 314 P CA 0.676 63.656 63.100 -0.200 0.000 0.858 314 P CB 0.114 31.562 31.700 -0.421 0.000 0.789 315 L N -0.174 121.041 121.223 -0.013 0.000 1.994 315 L HA -0.098 4.239 4.340 -0.004 0.000 0.208 315 L C 2.279 179.142 176.870 -0.012 0.000 1.071 315 L CA 2.234 57.068 54.840 -0.010 0.000 0.745 315 L CB -1.605 40.452 42.059 -0.003 0.000 0.892 315 L HN -0.108 nan 8.230 nan 0.000 0.431 316 A N -1.516 121.298 122.820 -0.010 0.000 1.933 316 A HA -0.223 4.094 4.320 -0.004 0.000 0.218 316 A C 2.369 179.944 177.584 -0.015 0.000 1.175 316 A CA 1.766 53.792 52.037 -0.019 0.000 0.628 316 A CB -1.459 17.527 19.000 -0.024 0.000 0.814 316 A HN 0.645 nan 8.150 nan 0.000 0.444 317 C N -1.137 118.165 119.300 0.003 0.000 2.440 317 C HA 0.115 4.572 4.460 -0.004 0.000 0.278 317 C C 3.277 178.273 174.990 0.010 0.000 1.295 317 C CA 0.641 59.669 59.018 0.016 0.000 1.738 317 C CB -1.256 26.525 27.740 0.067 0.000 1.987 317 C HN 0.707 nan 8.230 nan 0.000 0.492 318 A N 0.506 123.329 122.820 0.004 0.000 1.930 318 A HA 0.123 4.440 4.320 -0.004 0.000 0.217 318 A C 2.349 179.923 177.584 -0.018 0.000 1.175 318 A CA 1.873 53.910 52.037 -0.001 0.000 0.627 318 A CB -0.772 18.226 19.000 -0.004 0.000 0.815 318 A HN 0.542 nan 8.150 nan 0.000 0.443 319 A N -0.049 122.755 122.820 -0.026 0.000 1.898 319 A HA 0.185 4.503 4.320 -0.004 0.000 0.216 319 A C 2.489 180.036 177.584 -0.061 0.000 1.181 319 A CA 1.968 53.980 52.037 -0.041 0.000 0.620 319 A CB -0.980 17.997 19.000 -0.038 0.000 0.819 319 A HN 1.024 nan 8.150 nan 0.000 0.442 320 A N 0.182 122.966 122.820 -0.060 0.000 1.933 320 A HA -0.185 4.132 4.320 -0.004 0.000 0.218 320 A C 1.940 179.480 177.584 -0.073 0.000 1.175 320 A CA 1.732 53.716 52.037 -0.088 0.000 0.628 320 A CB -0.595 18.359 19.000 -0.077 0.000 0.814 320 A HN 0.543 nan 8.150 nan 0.000 0.444 321 N N 0.517 119.194 118.700 -0.038 0.000 2.084 321 N HA -0.108 4.629 4.740 -0.004 0.000 0.190 321 N C 1.911 177.398 175.510 -0.038 0.000 1.030 321 N CA 1.648 54.685 53.050 -0.020 0.000 0.849 321 N CB -0.577 37.911 38.487 0.002 0.000 1.012 321 N HN 0.457 nan 8.380 nan 0.000 0.423 322 A N 0.155 122.943 122.820 -0.053 0.000 1.930 322 A HA -0.095 4.222 4.320 -0.004 0.000 0.217 322 A C 2.467 179.960 177.584 -0.151 0.000 1.175 322 A CA 1.831 53.819 52.037 -0.081 0.000 0.627 322 A CB -0.753 18.204 19.000 -0.072 0.000 0.815 322 A HN 0.331 nan 8.150 nan 0.000 0.443 323 S N -0.297 115.316 115.700 -0.145 0.000 2.355 323 S HA -0.089 4.379 4.470 -0.004 0.000 0.222 323 S C 1.943 176.496 174.600 -0.078 0.000 1.031 323 S CA 1.399 59.514 58.200 -0.141 0.000 0.993 323 S CB -0.493 62.677 63.200 -0.050 0.000 0.859 323 S HN 0.491 nan 8.310 nan 0.000 0.453 324 L N 1.160 122.336 121.223 -0.077 0.000 2.131 324 L HA -0.068 4.270 4.340 -0.004 0.000 0.210 324 L C 2.939 179.814 176.870 0.007 0.000 1.092 324 L CA 1.127 55.951 54.840 -0.027 0.000 0.759 324 L CB -0.697 41.359 42.059 -0.004 0.000 0.903 324 L HN 0.435 nan 8.230 nan 0.000 0.435 325 A N 0.384 123.191 122.820 -0.022 0.000 1.933 325 A HA -0.159 4.159 4.320 -0.004 0.000 0.218 325 A C 2.202 179.780 177.584 -0.009 0.000 1.175 325 A CA 1.374 53.407 52.037 -0.006 0.000 0.628 325 A CB -0.562 18.427 19.000 -0.018 0.000 0.814 325 A HN 0.352 nan 8.150 nan 0.000 0.444 326 I N -0.300 120.218 120.570 -0.087 0.000 2.179 326 I HA -0.263 3.904 4.170 -0.004 0.000 0.242 326 I C 2.306 178.475 176.117 0.086 0.000 1.088 326 I CA 1.137 62.384 61.300 -0.088 0.000 1.357 326 I CB -0.345 37.397 38.000 -0.430 0.000 1.051 326 I HN 0.278 nan 8.210 nan 0.000 0.409 327 L N 0.259 121.565 121.223 0.138 0.000 2.131 327 L HA -0.205 4.132 4.340 -0.004 0.000 0.210 327 L C 2.432 179.472 176.870 0.283 0.000 1.092 327 L CA 1.303 56.299 54.840 0.260 0.000 0.759 327 L CB -0.641 41.485 42.059 0.112 0.000 0.903 327 L HN 0.276 nan 8.230 nan 0.000 0.435 328 E N 0.010 120.312 120.200 0.170 0.000 2.171 328 E HA -0.262 4.085 4.350 -0.004 0.000 0.197 328 E C 2.267 178.953 176.600 0.143 0.000 0.997 328 E CA 1.613 58.103 56.400 0.150 0.000 0.810 328 E CB -0.109 29.648 29.700 0.095 0.000 0.738 328 E HN 0.536 nan 8.360 nan 0.000 0.467 329 S N -0.588 115.191 115.700 0.132 0.000 2.419 329 S HA -0.126 4.341 4.470 -0.004 0.000 0.235 329 S C 1.816 176.468 174.600 0.087 0.000 1.019 329 S CA 1.202 59.461 58.200 0.099 0.000 0.982 329 S CB -0.295 62.961 63.200 0.093 0.000 0.789 329 S HN 0.466 nan 8.310 nan 0.000 0.490 330 G N 0.837 109.724 108.800 0.146 0.000 2.176 330 G HA2 -0.258 3.699 3.960 -0.004 0.000 0.253 330 G HA3 -0.258 3.699 3.960 -0.004 0.000 0.253 330 G C 0.389 175.167 174.900 -0.204 0.000 0.979 330 G CA 0.479 45.566 45.100 -0.022 0.000 0.641 330 G HN 0.546 nan 8.290 nan 0.000 0.530 331 D N 0.065 120.457 120.400 -0.013 0.000 2.263 331 D HA -0.063 4.575 4.640 -0.004 0.000 0.208 331 D C 2.279 178.558 176.300 -0.034 0.000 0.971 331 D CA 1.278 55.266 54.000 -0.020 0.000 0.867 331 D CB -0.394 40.456 40.800 0.082 0.000 0.929 331 D HN 0.860 nan 8.370 nan 0.000 0.492 332 W N 1.471 122.793 121.300 0.038 0.000 2.374 332 W HA -0.145 4.494 4.660 -0.035 0.000 0.288 332 W C 1.375 177.809 176.519 -0.142 0.000 1.218 332 W CA 0.446 57.767 57.345 -0.040 0.000 1.245 332 W CB -0.947 28.519 29.460 0.009 0.000 1.126 332 W HN 0.056 nan 8.180 nan 0.000 0.545 333 Q N 0.871 119.947 119.800 -1.206 0.000 2.061 333 Q HA -0.293 4.045 4.340 -0.004 0.000 0.204 333 Q C 2.259 177.982 176.000 -0.461 0.000 0.984 333 Q CA 2.332 57.433 55.803 -1.170 0.000 0.846 333 Q CB -0.496 27.564 28.738 -1.130 0.000 0.902 333 Q HN 0.258 nan 8.270 nan 0.000 0.421 334 Q N 0.541 120.150 119.800 -0.318 0.000 2.302 334 Q HA -0.055 4.282 4.340 -0.004 0.000 0.202 334 Q C 1.732 177.673 176.000 -0.098 0.000 0.936 334 Q CA 1.029 56.730 55.803 -0.170 0.000 0.886 334 Q CB 0.293 28.954 28.738 -0.128 0.000 0.986 334 Q HN 0.337 nan 8.270 nan 0.000 0.487 335 Q N -1.078 118.677 119.800 -0.074 0.000 2.124 335 Q HA -0.102 4.235 4.340 -0.004 0.000 0.202 335 Q C 1.880 177.859 176.000 -0.034 0.000 0.977 335 Q CA 1.612 57.411 55.803 -0.008 0.000 0.850 335 Q CB 0.172 28.952 28.738 0.071 0.000 0.901 335 Q HN 0.249 nan 8.270 nan 0.000 0.429 336 V N 0.451 120.309 119.914 -0.094 0.000 2.379 336 V HA -0.199 3.919 4.120 -0.004 0.000 0.245 336 V C 2.193 178.264 176.094 -0.037 0.000 1.044 336 V CA 1.582 63.829 62.300 -0.089 0.000 1.036 336 V CB -0.816 30.944 31.823 -0.106 0.000 0.664 336 V HN 0.374 nan 8.190 nan 0.000 0.453 337 A N 0.087 122.872 122.820 -0.058 0.000 1.908 337 A HA -0.277 4.040 4.320 -0.004 0.000 0.218 337 A C 1.951 179.521 177.584 -0.022 0.000 1.181 337 A CA 2.242 54.255 52.037 -0.040 0.000 0.627 337 A CB -0.618 18.342 19.000 -0.067 0.000 0.818 337 A HN 0.541 nan 8.150 nan 0.000 0.445 338 D N -0.277 120.109 120.400 -0.023 0.000 2.149 338 D HA -0.049 4.588 4.640 -0.004 0.000 0.201 338 D C 1.809 178.113 176.300 0.006 0.000 0.972 338 D CA 0.846 54.842 54.000 -0.007 0.000 0.835 338 D CB -0.296 40.500 40.800 -0.006 0.000 0.966 338 D HN 0.525 nan 8.370 nan 0.000 0.476 339 I N 0.861 121.439 120.570 0.013 0.000 2.226 339 I HA -0.214 3.953 4.170 -0.004 0.000 0.245 339 I C 2.429 178.561 176.117 0.026 0.000 1.100 339 I CA 1.001 62.317 61.300 0.028 0.000 1.374 339 I CB -0.081 37.946 38.000 0.045 0.000 1.057 339 I HN 0.006 nan 8.210 nan 0.000 0.413 340 E N 0.804 121.017 120.200 0.021 0.000 2.051 340 E HA -0.196 4.151 4.350 -0.004 0.000 0.192 340 E C 2.330 178.941 176.600 0.018 0.000 0.991 340 E CA 1.612 58.026 56.400 0.024 0.000 0.799 340 E CB 0.136 29.850 29.700 0.024 0.000 0.748 340 E HN 0.241 nan 8.360 nan 0.000 0.449 341 V N 1.183 121.103 119.914 0.011 0.000 2.255 341 V HA -0.317 3.800 4.120 -0.004 0.000 0.247 341 V C 2.629 178.730 176.094 0.012 0.000 1.051 341 V CA 2.371 64.677 62.300 0.009 0.000 1.018 341 V CB -0.739 31.087 31.823 0.004 0.000 0.641 341 V HN 0.398 nan 8.190 nan 0.000 0.445 342 Q N -0.513 119.295 119.800 0.013 0.000 2.061 342 Q HA -0.215 4.123 4.340 -0.004 0.000 0.204 342 Q C 2.275 178.284 176.000 0.016 0.000 0.984 342 Q CA 1.959 57.770 55.803 0.014 0.000 0.846 342 Q CB -0.194 28.553 28.738 0.015 0.000 0.902 342 Q HN 0.615 nan 8.270 nan 0.000 0.421 343 L N -0.028 121.206 121.223 0.019 0.000 2.012 343 L HA -0.241 4.096 4.340 -0.004 0.000 0.210 343 L C 2.750 179.632 176.870 0.020 0.000 1.073 343 L CA 1.511 56.363 54.840 0.020 0.000 0.748 343 L CB -0.448 41.627 42.059 0.025 0.000 0.891 343 L HN 0.237 nan 8.230 nan 0.000 0.431 344 R N -0.227 120.284 120.500 0.019 0.000 2.083 344 R HA -0.219 4.119 4.340 -0.004 0.000 0.237 344 R C 2.246 178.557 176.300 0.017 0.000 1.137 344 R CA 1.779 57.890 56.100 0.018 0.000 0.951 344 R CB -0.308 30.002 30.300 0.016 0.000 0.851 344 R HN 0.410 nan 8.270 nan 0.000 0.434 345 E N 0.575 120.784 120.200 0.015 0.000 2.051 345 E HA -0.205 4.142 4.350 -0.004 0.000 0.192 345 E C 1.980 178.590 176.600 0.017 0.000 0.991 345 E CA 1.275 57.684 56.400 0.015 0.000 0.799 345 E CB 0.173 29.881 29.700 0.013 0.000 0.748 345 E HN 0.355 nan 8.360 nan 0.000 0.449 346 Q N -0.404 119.407 119.800 0.017 0.000 2.389 346 Q HA 0.015 4.353 4.340 -0.004 0.000 0.204 346 Q C 1.898 177.913 176.000 0.024 0.000 0.944 346 Q CA 0.421 56.236 55.803 0.020 0.000 0.908 346 Q CB 0.341 29.089 28.738 0.017 0.000 1.002 346 Q HN 0.313 nan 8.270 nan 0.000 0.493 347 L N -0.383 120.855 121.223 0.024 0.000 2.529 347 L HA 0.144 4.481 4.340 -0.004 0.000 0.223 347 L C 2.239 179.126 176.870 0.027 0.000 1.113 347 L CA 0.076 54.933 54.840 0.028 0.000 0.861 347 L CB -0.247 41.829 42.059 0.029 0.000 1.012 347 L HN 0.151 nan 8.230 nan 0.000 0.461 348 A N 1.506 124.340 122.820 0.023 0.000 1.927 348 A HA -0.164 4.154 4.320 -0.004 0.000 0.220 348 A C -0.197 177.400 177.584 0.021 0.000 1.185 348 A CA 1.794 53.843 52.037 0.020 0.000 0.639 348 A CB -1.731 17.279 19.000 0.017 0.000 0.820 348 A HN 0.282 nan 8.150 nan 0.000 0.451 349 P HA -0.038 nan 4.420 nan 0.000 0.225 349 P C 1.360 178.676 177.300 0.026 0.000 1.148 349 P CA 1.375 64.489 63.100 0.024 0.000 0.779 349 P CB -0.089 31.628 31.700 0.028 0.000 0.780 350 A N 0.010 122.848 122.820 0.031 0.000 2.121 350 A HA -0.137 4.180 4.320 -0.004 0.000 0.218 350 A C 2.086 179.682 177.584 0.021 0.000 1.154 350 A CA 0.900 52.957 52.037 0.033 0.000 0.679 350 A CB -0.885 18.141 19.000 0.044 0.000 0.795 350 A HN 0.108 nan 8.150 nan 0.000 0.458 351 R N -0.161 120.349 120.500 0.017 0.000 2.316 351 R HA -0.050 4.287 4.340 -0.004 0.000 0.202 351 R C 0.097 176.400 176.300 0.005 0.000 1.029 351 R CA 1.015 57.121 56.100 0.010 0.000 1.018 351 R CB -0.026 30.281 30.300 0.011 0.000 0.888 351 R HN 0.429 nan 8.270 nan 0.000 0.471 352 D N -0.223 120.180 120.400 0.006 0.000 2.369 352 D HA 0.105 4.742 4.640 -0.004 0.000 0.211 352 D C 0.047 176.345 176.300 -0.004 0.000 1.077 352 D CA 0.129 54.130 54.000 0.001 0.000 0.842 352 D CB 0.549 41.352 40.800 0.005 0.000 0.947 352 D HN 0.112 nan 8.370 nan 0.000 0.509 353 A N 1.108 123.926 122.820 -0.005 0.000 2.310 353 A HA 0.292 4.609 4.320 -0.004 0.000 0.299 353 A C 1.300 178.861 177.584 -0.040 0.000 1.147 353 A CA -0.481 51.547 52.037 -0.015 0.000 0.818 353 A CB 0.657 19.656 19.000 -0.001 0.000 1.096 353 A HN 0.092 nan 8.150 nan 0.000 0.495 354 E N 1.832 121.996 120.200 -0.059 0.000 2.204 354 E HA -0.157 4.191 4.350 -0.004 0.000 0.194 354 E C 0.614 177.136 176.600 -0.129 0.000 0.989 354 E CA 0.932 57.282 56.400 -0.083 0.000 0.824 354 E CB -0.243 29.404 29.700 -0.088 0.000 0.756 354 E HN 0.562 nan 8.360 nan 0.000 0.477 355 M N 1.343 120.831 119.600 -0.187 0.000 2.561 355 M HA 0.182 4.660 4.480 -0.004 0.000 0.238 355 M C 0.046 176.223 176.300 -0.205 0.000 1.131 355 M CA -0.024 55.077 55.300 -0.331 0.000 1.046 355 M CB 0.402 32.591 32.600 -0.685 0.000 1.532 355 M HN -0.098 nan 8.290 nan 0.000 0.497 356 V N 0.406 120.263 119.914 -0.095 0.000 2.481 356 V HA 0.499 4.616 4.120 -0.004 0.000 0.286 356 V C 1.089 177.165 176.094 -0.029 0.000 1.042 356 V CA -0.160 62.116 62.300 -0.041 0.000 0.928 356 V CB 1.363 33.180 31.823 -0.010 0.000 0.986 356 V HN 0.357 nan 8.190 nan 0.000 0.462 357 A N 3.198 126.008 122.820 -0.017 0.000 2.035 357 A HA 0.363 4.680 4.320 -0.004 0.000 0.208 357 A C 0.480 178.061 177.584 -0.006 0.000 1.206 357 A CA 0.677 52.705 52.037 -0.015 0.000 0.773 357 A CB 0.163 19.151 19.000 -0.019 0.000 0.878 357 A HN 0.789 nan 8.150 nan 0.000 0.469 358 D N -2.410 117.991 120.400 0.001 0.000 2.706 358 D HA 0.460 5.098 4.640 -0.004 0.000 0.227 358 D C -1.788 174.521 176.300 0.014 0.000 1.233 358 D CA -0.128 53.876 54.000 0.007 0.000 0.768 358 D CB 1.900 42.703 40.800 0.005 0.000 1.490 358 D HN 0.002 nan 8.370 nan 0.000 0.458 359 V N 3.025 122.950 119.914 0.017 0.000 2.638 359 V HA 0.766 4.883 4.120 -0.004 0.000 0.306 359 V C -0.562 175.545 176.094 0.022 0.000 1.052 359 V CA -0.718 61.595 62.300 0.023 0.000 0.885 359 V CB 1.839 33.677 31.823 0.024 0.000 0.999 359 V HN 0.672 nan 8.190 nan 0.000 0.424 360 R N 2.954 123.469 120.500 0.025 0.000 2.604 360 R HA 0.912 5.249 4.340 -0.004 0.000 0.270 360 R C -2.252 174.064 176.300 0.027 0.000 1.052 360 R CA -0.783 55.331 56.100 0.023 0.000 0.902 360 R CB 2.212 32.525 30.300 0.022 0.000 1.233 360 R HN 0.338 nan 8.270 nan 0.000 0.455 361 V N 2.571 122.499 119.914 0.023 0.000 2.841 361 V HA 0.608 4.726 4.120 -0.004 0.000 0.310 361 V C -1.376 174.732 176.094 0.022 0.000 1.090 361 V CA -0.863 61.454 62.300 0.028 0.000 0.930 361 V CB 2.055 33.894 31.823 0.027 0.000 1.014 361 V HN 0.709 nan 8.190 nan 0.000 0.425 362 L N 3.919 125.162 121.223 0.035 0.000 2.580 362 L HA 0.827 5.164 4.340 -0.004 0.000 0.266 362 L C 0.299 177.210 176.870 0.068 0.000 0.955 362 L CA 1.321 56.179 54.840 0.030 0.000 0.886 362 L CB 1.382 43.443 42.059 0.003 0.000 1.263 362 L HN 1.134 nan 8.230 nan 0.000 0.406 363 G N 3.836 112.678 108.800 0.071 0.000 2.596 363 G HA2 -0.153 3.805 3.960 -0.004 0.000 0.295 363 G HA3 -0.153 3.805 3.960 -0.004 0.000 0.295 363 G C 0.511 175.458 174.900 0.080 0.000 1.240 363 G CA 0.353 45.505 45.100 0.087 0.000 0.985 363 G HN 1.842 nan 8.290 nan 0.000 0.555 364 A N -0.004 122.879 122.820 0.104 0.000 2.929 364 A HA 0.652 4.970 4.320 -0.004 0.000 0.279 364 A C 0.432 178.089 177.584 0.123 0.000 1.418 364 A CA 0.254 52.362 52.037 0.117 0.000 1.035 364 A CB -0.635 18.468 19.000 0.172 0.000 1.047 364 A HN 0.776 nan 8.150 nan 0.000 0.609 365 I N 0.002 120.634 120.570 0.104 0.000 2.447 365 I HA 0.527 4.694 4.170 -0.004 0.000 0.287 365 I C 0.310 176.466 176.117 0.066 0.000 1.023 365 I CA -0.591 60.759 61.300 0.083 0.000 1.083 365 I CB 2.288 40.359 38.000 0.117 0.000 1.245 365 I HN 0.229 nan 8.210 nan 0.000 0.434 366 G N 5.520 114.356 108.800 0.060 0.000 2.609 366 G HA2 0.661 4.618 3.960 -0.004 0.000 0.308 366 G HA3 0.661 4.618 3.960 -0.004 0.000 0.308 366 G C -1.187 173.760 174.900 0.078 0.000 1.369 366 G CA -0.438 44.694 45.100 0.053 0.000 0.958 366 G HN 0.314 nan 8.290 nan 0.000 0.499 367 V N 2.390 122.344 119.914 0.066 0.000 2.487 367 V HA 0.466 4.583 4.120 -0.004 0.000 0.298 367 V C -0.334 175.793 176.094 0.056 0.000 1.028 367 V CA -0.782 61.564 62.300 0.076 0.000 0.860 367 V CB 1.852 33.693 31.823 0.031 0.000 0.991 367 V HN 0.531 nan 8.190 nan 0.000 0.427 368 V N 4.166 124.121 119.914 0.069 0.000 2.304 368 V HA 0.344 4.461 4.120 -0.004 0.000 0.278 368 V C 0.168 176.297 176.094 0.057 0.000 1.018 368 V CA -0.480 61.856 62.300 0.061 0.000 0.814 368 V CB 1.306 33.176 31.823 0.079 0.000 1.021 368 V HN 0.962 nan 8.190 nan 0.000 0.440 369 E N 3.517 123.736 120.200 0.030 0.000 2.289 369 E HA 0.429 4.776 4.350 -0.004 0.000 0.278 369 E C 0.133 176.749 176.600 0.026 0.000 1.032 369 E CA -0.330 56.079 56.400 0.015 0.000 0.854 369 E CB 1.117 30.812 29.700 -0.008 0.000 1.046 369 E HN 0.797 nan 8.360 nan 0.000 0.409 370 T N 0.367 114.948 114.554 0.045 0.000 2.948 370 T HA 0.214 4.561 4.350 -0.004 0.000 0.285 370 T C 1.186 175.889 174.700 0.004 0.000 1.019 370 T CA -0.151 61.965 62.100 0.026 0.000 1.013 370 T CB 1.493 70.434 68.868 0.122 0.000 1.117 370 T HN 0.510 nan 8.240 nan 0.000 0.533 371 T N -1.999 112.547 114.554 -0.013 0.000 3.043 371 T HA 0.118 4.466 4.350 -0.004 0.000 0.263 371 T C 0.212 174.855 174.700 -0.095 0.000 1.094 371 T CA 0.615 62.709 62.100 -0.009 0.000 1.127 371 T CB -0.516 68.394 68.868 0.070 0.000 0.905 371 T HN 0.782 nan 8.240 nan 0.000 0.490 372 H N 0.864 119.890 119.070 -0.073 0.000 2.747 372 H HA 0.575 5.129 4.556 -0.005 0.000 0.371 372 H C -2.921 172.518 175.328 0.185 0.000 1.161 372 H CA -2.481 53.587 56.048 0.034 0.000 1.167 372 H CB 1.081 30.856 29.762 0.023 0.000 1.732 372 H HN -0.026 nan 8.280 nan 0.000 0.544 373 P HA -0.002 nan 4.420 nan 0.000 0.269 373 P C -0.248 177.229 177.300 0.295 0.000 1.209 373 P CA -0.352 62.884 63.100 0.226 0.000 0.776 373 P CB 0.457 32.245 31.700 0.146 0.000 0.876 374 V N -0.162 119.850 119.914 0.163 0.000 3.003 374 V HA 0.328 4.445 4.120 -0.004 0.000 0.305 374 V C 0.476 176.538 176.094 -0.052 0.000 1.078 374 V CA -0.642 61.613 62.300 -0.076 0.000 1.083 374 V CB 0.579 32.305 31.823 -0.161 0.000 1.039 374 V HN 0.461 nan 8.190 nan 0.000 0.481 375 N N 3.919 122.538 118.700 -0.134 0.000 2.469 375 N HA 0.207 4.944 4.740 -0.004 0.000 0.239 375 N C 0.765 176.239 175.510 -0.060 0.000 1.053 375 N CA -0.425 52.596 53.050 -0.048 0.000 0.937 375 N CB 1.065 39.537 38.487 -0.024 0.000 1.163 375 N HN 0.772 nan 8.380 nan 0.000 0.509 376 M N 2.128 121.720 119.600 -0.015 0.000 2.080 376 M HA -0.148 4.330 4.480 -0.004 0.000 0.260 376 M C 1.882 178.179 176.300 -0.004 0.000 1.068 376 M CA 1.333 56.631 55.300 -0.003 0.000 1.109 376 M CB -1.491 31.140 32.600 0.051 0.000 1.342 376 M HN 0.628 nan 8.290 nan 0.000 0.405 377 A N 0.093 122.926 122.820 0.022 0.000 1.877 377 A HA -0.005 4.313 4.320 -0.004 0.000 0.216 377 A C 2.431 180.034 177.584 0.032 0.000 1.186 377 A CA 2.341 54.404 52.037 0.043 0.000 0.620 377 A CB -0.992 18.033 19.000 0.041 0.000 0.822 377 A HN 0.492 nan 8.150 nan 0.000 0.443 378 A N -0.908 121.927 122.820 0.024 0.000 1.898 378 A HA 0.049 4.366 4.320 -0.004 0.000 0.216 378 A C 2.124 179.615 177.584 -0.154 0.000 1.181 378 A CA 1.657 53.731 52.037 0.063 0.000 0.620 378 A CB -0.584 18.537 19.000 0.201 0.000 0.819 378 A HN 0.564 nan 8.150 nan 0.000 0.442 379 L N -0.543 120.491 121.223 -0.316 0.000 2.056 379 L HA -0.143 4.194 4.340 -0.004 0.000 0.207 379 L C 2.461 178.983 176.870 -0.579 0.000 1.078 379 L CA 2.526 56.918 54.840 -0.746 0.000 0.749 379 L CB -0.831 40.875 42.059 -0.589 0.000 0.901 379 L HN 0.456 nan 8.230 nan 0.000 0.433 380 Q N -0.081 119.567 119.800 -0.252 0.000 2.096 380 Q HA -0.255 4.082 4.340 -0.004 0.000 0.204 380 Q C 2.344 178.256 176.000 -0.147 0.000 0.982 380 Q CA 1.945 57.654 55.803 -0.156 0.000 0.850 380 Q CB -0.254 28.471 28.738 -0.022 0.000 0.901 380 Q HN 0.448 nan 8.270 nan 0.000 0.422 381 K N -1.029 119.343 120.400 -0.046 0.000 2.057 381 K HA -0.143 4.175 4.320 -0.004 0.000 0.206 381 K C 1.989 178.538 176.600 -0.085 0.000 1.050 381 K CA 1.202 57.505 56.287 0.027 0.000 0.935 381 K CB -0.359 32.218 32.500 0.128 0.000 0.715 381 K HN 0.295 nan 8.250 nan 0.000 0.439 382 F N 1.038 120.765 119.950 -0.372 0.000 2.095 382 F HA -0.225 4.299 4.527 -0.005 0.000 0.298 382 F C 1.685 177.293 175.800 -0.320 0.000 1.104 382 F CA 1.584 59.313 58.000 -0.451 0.000 1.232 382 F CB -0.603 37.759 39.000 -1.063 0.000 0.987 382 F HN -0.013 nan 8.300 nan 0.000 0.475 383 F N -0.405 119.260 119.950 -0.476 0.000 2.102 383 F HA -0.241 4.284 4.527 -0.003 0.000 0.298 383 F C 2.400 177.949 175.800 -0.419 0.000 1.105 383 F CA 1.111 58.802 58.000 -0.516 0.000 1.239 383 F CB -0.750 38.004 39.000 -0.410 0.000 0.991 383 F HN -0.201 nan 8.300 nan 0.000 0.474 384 V N 0.163 119.980 119.914 -0.160 0.000 2.392 384 V HA -0.293 3.824 4.120 -0.004 0.000 0.249 384 V C 1.932 177.939 176.094 -0.146 0.000 1.059 384 V CA 1.978 64.176 62.300 -0.170 0.000 1.051 384 V CB -0.591 31.035 31.823 -0.329 0.000 0.658 384 V HN 0.356 nan 8.190 nan 0.000 0.455 385 E N -0.448 119.649 120.200 -0.172 0.000 2.204 385 E HA -0.191 4.156 4.350 -0.004 0.000 0.194 385 E C 2.000 178.488 176.600 -0.187 0.000 0.989 385 E CA 0.724 57.038 56.400 -0.143 0.000 0.824 385 E CB -0.076 29.556 29.700 -0.113 0.000 0.756 385 E HN 0.551 nan 8.360 nan 0.000 0.477 386 Q N -0.512 119.112 119.800 -0.293 0.000 2.403 386 Q HA 0.056 4.394 4.340 -0.004 0.000 0.203 386 Q C 0.958 176.871 176.000 -0.145 0.000 0.932 386 Q CA 0.669 56.321 55.803 -0.251 0.000 0.945 386 Q CB 0.873 29.394 28.738 -0.361 0.000 1.045 386 Q HN 0.393 nan 8.270 nan 0.000 0.511 387 G N 0.993 109.721 108.800 -0.120 0.000 2.176 387 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.252 387 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.252 387 G C 0.172 175.026 174.900 -0.075 0.000 1.024 387 G CA 0.501 45.553 45.100 -0.082 0.000 0.755 387 G HN 0.377 nan 8.290 nan 0.000 0.507 388 V N -4.119 115.741 119.914 -0.090 0.000 2.876 388 V HA 0.867 4.985 4.120 -0.004 0.000 0.312 388 V C -0.128 175.925 176.094 -0.069 0.000 1.085 388 V CA -1.675 60.564 62.300 -0.101 0.000 0.945 388 V CB 2.229 33.940 31.823 -0.186 0.000 1.017 388 V HN 0.667 nan 8.190 nan 0.000 0.428 389 W N 5.739 126.880 121.300 -0.264 0.000 2.296 389 W HA 0.772 5.429 4.660 -0.006 0.000 0.316 389 W C -1.933 174.370 176.519 -0.360 0.000 1.022 389 W CA -0.819 56.354 57.345 -0.287 0.000 1.324 389 W CB 1.431 30.741 29.460 -0.251 0.000 1.227 389 W HN 0.648 nan 8.180 nan 0.000 0.409 390 I N 6.222 126.161 120.570 -1.050 0.000 2.534 390 I HA 0.255 4.422 4.170 -0.004 0.000 0.288 390 I C -0.430 175.090 176.117 -0.996 0.000 1.077 390 I CA -0.872 59.799 61.300 -1.047 0.000 1.051 390 I CB 2.476 39.635 38.000 -1.402 0.000 1.234 390 I HN 0.209 nan 8.210 nan 0.000 0.425 391 R N 8.225 128.256 120.500 -0.781 0.000 2.352 391 R HA 0.525 4.862 4.340 -0.004 0.000 0.304 391 R C -2.730 173.450 176.300 -0.200 0.000 1.104 391 R CA -1.801 54.006 56.100 -0.488 0.000 0.991 391 R CB 0.934 31.006 30.300 -0.379 0.000 1.140 391 R HN 0.204 nan 8.270 nan 0.000 0.540 392 P HA 0.383 nan 4.420 nan 0.000 0.282 392 P C -1.158 176.325 177.300 0.305 0.000 1.287 392 P CA -0.388 62.750 63.100 0.064 0.000 0.792 392 P CB 0.526 32.254 31.700 0.047 0.000 1.163 393 F N -3.947 116.092 119.950 0.148 0.000 2.639 393 F HA 0.567 5.091 4.527 -0.006 0.000 0.320 393 F C 0.368 176.226 175.800 0.096 0.000 1.128 393 F CA 0.050 58.120 58.000 0.117 0.000 1.037 393 F CB 0.609 39.679 39.000 0.117 0.000 1.288 393 F HN 0.769 nan 8.300 nan 0.000 0.463 394 G N 3.774 112.698 108.800 0.206 0.000 2.596 394 G HA2 -0.336 3.622 3.960 -0.004 0.000 0.304 394 G HA3 -0.336 3.622 3.960 -0.004 0.000 0.304 394 G C 0.282 175.204 174.900 0.036 0.000 1.189 394 G CA 0.535 45.699 45.100 0.106 0.000 0.986 394 G HN 0.935 nan 8.290 nan 0.000 0.548 395 K N 0.473 120.857 120.400 -0.027 0.000 2.576 395 K HA 0.484 4.802 4.320 -0.004 0.000 0.209 395 K C -0.196 176.380 176.600 -0.041 0.000 1.049 395 K CA -0.079 56.220 56.287 0.020 0.000 1.140 395 K CB 0.142 32.653 32.500 0.019 0.000 0.871 395 K HN 0.316 nan 8.250 nan 0.000 0.479 396 L N 1.459 122.586 121.223 -0.161 0.000 2.381 396 L HA 0.534 4.872 4.340 -0.004 0.000 0.274 396 L C -0.538 176.335 176.870 0.006 0.000 0.988 396 L CA -0.778 53.971 54.840 -0.151 0.000 0.824 396 L CB 1.829 43.633 42.059 -0.426 0.000 1.263 396 L HN -0.003 nan 8.230 nan 0.000 0.410 397 I N 4.194 124.820 120.570 0.093 0.000 2.382 397 I HA 0.390 4.558 4.170 -0.004 0.000 0.285 397 I C -0.905 175.265 176.117 0.088 0.000 1.007 397 I CA -0.613 60.731 61.300 0.074 0.000 1.142 397 I CB 0.961 39.035 38.000 0.123 0.000 1.289 397 I HN 0.510 nan 8.210 nan 0.000 0.453 398 Y N 5.219 125.464 120.300 -0.092 0.000 2.609 398 Y HA 0.865 5.412 4.550 -0.005 0.000 0.342 398 Y C -1.755 174.062 175.900 -0.139 0.000 1.058 398 Y CA -1.414 56.626 58.100 -0.100 0.000 1.055 398 Y CB 1.466 39.868 38.460 -0.096 0.000 1.292 398 Y HN 0.237 nan 8.280 nan 0.000 0.476 399 L N 3.593 124.800 121.223 -0.027 0.000 2.408 399 L HA 0.600 4.937 4.340 -0.004 0.000 0.268 399 L C -0.791 176.062 176.870 -0.027 0.000 0.986 399 L CA -1.172 53.596 54.840 -0.120 0.000 0.820 399 L CB 2.256 44.255 42.059 -0.100 0.000 1.303 399 L HN 0.880 nan 8.230 nan 0.000 0.411 400 M N 2.172 121.727 119.600 -0.075 0.000 2.400 400 M HA 0.381 4.858 4.480 -0.004 0.000 0.241 400 M C -2.943 173.352 176.300 -0.008 0.000 1.158 400 M CA -1.423 53.850 55.300 -0.044 0.000 0.613 400 M CB 1.138 33.628 32.600 -0.184 0.000 1.615 400 M HN 0.104 nan 8.290 nan 0.000 0.371 401 P HA 0.487 nan 4.420 nan 0.000 0.278 401 P C -2.761 174.584 177.300 0.076 0.000 1.258 401 P CA -1.301 61.823 63.100 0.039 0.000 0.811 401 P CB 0.014 31.738 31.700 0.040 0.000 1.063 402 P HA 0.001 nan 4.420 nan 0.000 0.266 402 P C 0.746 178.136 177.300 0.149 0.000 1.195 402 P CA 0.330 63.412 63.100 -0.030 0.000 0.768 402 P CB -0.159 31.518 31.700 -0.039 0.000 0.838 403 Y N 2.270 122.591 120.300 0.034 0.000 2.384 403 Y HA -0.126 4.424 4.550 0.000 0.000 0.289 403 Y C 1.835 177.790 175.900 0.092 0.000 1.152 403 Y CA 0.801 58.950 58.100 0.082 0.000 1.258 403 Y CB -1.436 37.097 38.460 0.122 0.000 0.979 403 Y HN 0.346 nan 8.280 nan 0.000 0.549 404 I N -2.349 118.362 120.570 0.235 0.000 3.735 404 I HA 0.157 4.325 4.170 -0.004 0.000 0.310 404 I C 0.776 176.965 176.117 0.121 0.000 1.270 404 I CA -0.093 61.310 61.300 0.172 0.000 1.207 404 I CB -0.300 37.800 38.000 0.167 0.000 1.013 404 I HN -0.087 nan 8.210 nan 0.000 0.452 405 I N 2.848 123.487 120.570 0.115 0.000 2.752 405 I HA 0.010 4.177 4.170 -0.004 0.000 0.289 405 I C 0.127 176.283 176.117 0.064 0.000 1.197 405 I CA 0.037 61.386 61.300 0.081 0.000 1.432 405 I CB 0.512 38.555 38.000 0.072 0.000 1.359 405 I HN 0.207 nan 8.210 nan 0.000 0.571 406 L N 9.519 130.771 121.223 0.048 0.000 2.426 406 L HA 0.142 4.479 4.340 -0.004 0.000 0.271 406 L C -1.423 175.464 176.870 0.028 0.000 1.169 406 L CA -1.250 53.611 54.840 0.036 0.000 0.836 406 L CB -0.039 42.036 42.059 0.027 0.000 1.112 406 L HN 0.521 nan 8.230 nan 0.000 0.465 407 P HA -0.261 nan 4.420 nan 0.000 0.216 407 P C 1.259 178.566 177.300 0.013 0.000 1.154 407 P CA 1.463 64.573 63.100 0.018 0.000 0.865 407 P CB 0.034 31.743 31.700 0.015 0.000 0.789 408 Q N -0.607 119.199 119.800 0.011 0.000 2.167 408 Q HA -0.193 4.145 4.340 -0.004 0.000 0.202 408 Q C 2.085 178.086 176.000 0.002 0.000 0.970 408 Q CA 1.171 56.977 55.803 0.006 0.000 0.855 408 Q CB -0.909 27.832 28.738 0.005 0.000 0.911 408 Q HN 0.357 nan 8.270 nan 0.000 0.438 409 Q N 0.726 120.529 119.800 0.005 0.000 2.079 409 Q HA -0.002 4.335 4.340 -0.004 0.000 0.200 409 Q C 2.200 178.197 176.000 -0.006 0.000 0.974 409 Q CA 1.031 56.834 55.803 0.000 0.000 0.840 409 Q CB -0.023 28.721 28.738 0.011 0.000 0.898 409 Q HN 0.397 nan 8.270 nan 0.000 0.430 410 L N 0.622 121.847 121.223 0.003 0.000 2.093 410 L HA -0.235 4.102 4.340 -0.004 0.000 0.208 410 L C 2.240 179.105 176.870 -0.009 0.000 1.085 410 L CA 1.293 56.132 54.840 -0.002 0.000 0.755 410 L CB -0.113 41.952 42.059 0.011 0.000 0.904 410 L HN 0.378 nan 8.230 nan 0.000 0.435 411 Q N -0.637 119.162 119.800 -0.002 0.000 2.124 411 Q HA -0.231 4.106 4.340 -0.004 0.000 0.202 411 Q C 2.233 178.230 176.000 -0.005 0.000 0.977 411 Q CA 1.427 57.230 55.803 0.000 0.000 0.850 411 Q CB 0.038 28.779 28.738 0.005 0.000 0.901 411 Q HN 0.471 nan 8.270 nan 0.000 0.429 412 R N 0.006 120.498 120.500 -0.014 0.000 2.092 412 R HA -0.085 4.252 4.340 -0.004 0.000 0.231 412 R C 2.254 178.529 176.300 -0.042 0.000 1.119 412 R CA 0.899 56.984 56.100 -0.024 0.000 0.970 412 R CB -0.152 30.128 30.300 -0.032 0.000 0.864 412 R HN 0.230 nan 8.270 nan 0.000 0.440 413 L N -0.046 121.140 121.223 -0.061 0.000 2.027 413 L HA -0.161 4.176 4.340 -0.004 0.000 0.206 413 L C 2.662 179.490 176.870 -0.071 0.000 1.074 413 L CA 1.810 56.587 54.840 -0.107 0.000 0.745 413 L CB -0.929 41.059 42.059 -0.119 0.000 0.898 413 L HN 0.356 nan 8.230 nan 0.000 0.433 414 T N -2.484 112.051 114.554 -0.031 0.000 2.867 414 T HA -0.078 4.270 4.350 -0.004 0.000 0.268 414 T C 1.900 176.620 174.700 0.034 0.000 1.057 414 T CA 0.879 62.979 62.100 -0.001 0.000 1.136 414 T CB -0.324 68.547 68.868 0.006 0.000 0.874 414 T HN 0.308 nan 8.240 nan 0.000 0.466 415 A N 1.777 124.619 122.820 0.036 0.000 1.898 415 A HA 0.439 4.757 4.320 -0.004 0.000 0.216 415 A C 2.804 180.460 177.584 0.120 0.000 1.181 415 A CA 1.543 53.618 52.037 0.065 0.000 0.620 415 A CB -1.309 17.718 19.000 0.047 0.000 0.819 415 A HN 0.698 nan 8.150 nan 0.000 0.442 416 A N -0.464 122.426 122.820 0.117 0.000 1.902 416 A HA 0.013 4.330 4.320 -0.004 0.000 0.217 416 A C 2.219 180.056 177.584 0.422 0.000 1.181 416 A CA 1.743 53.933 52.037 0.255 0.000 0.623 416 A CB -0.907 18.197 19.000 0.172 0.000 0.818 416 A HN 0.358 nan 8.150 nan 0.000 0.443 417 V N 1.009 121.072 119.914 0.249 0.000 2.295 417 V HA -0.274 3.843 4.120 -0.004 0.000 0.246 417 V C 2.363 178.589 176.094 0.220 0.000 1.049 417 V CA 2.129 64.581 62.300 0.253 0.000 1.024 417 V CB -0.926 30.953 31.823 0.094 0.000 0.648 417 V HN 0.570 nan 8.190 nan 0.000 0.447 418 N N -0.047 118.747 118.700 0.157 0.000 2.149 418 N HA -0.198 4.540 4.740 -0.004 0.000 0.188 418 N C 2.053 177.647 175.510 0.140 0.000 1.019 418 N CA 1.572 54.697 53.050 0.125 0.000 0.857 418 N CB -0.307 38.234 38.487 0.090 0.000 0.997 418 N HN 0.440 nan 8.380 nan 0.000 0.426 419 R N 0.819 121.432 120.500 0.187 0.000 2.081 419 R HA -0.015 4.323 4.340 -0.004 0.000 0.235 419 R C 2.042 178.417 176.300 0.125 0.000 1.131 419 R CA 1.315 57.528 56.100 0.189 0.000 0.960 419 R CB -0.150 30.348 30.300 0.329 0.000 0.856 419 R HN 0.138 nan 8.270 nan 0.000 0.436 420 A N 0.332 123.245 122.820 0.155 0.000 2.019 420 A HA -0.089 4.229 4.320 -0.004 0.000 0.219 420 A C 1.871 179.582 177.584 0.211 0.000 1.164 420 A CA 1.501 53.561 52.037 0.038 0.000 0.644 420 A CB -0.214 18.787 19.000 0.002 0.000 0.805 420 A HN 0.329 nan 8.150 nan 0.000 0.449 421 V N -3.627 116.412 119.914 0.208 0.000 3.596 421 V HA 0.092 4.210 4.120 -0.004 0.000 0.289 421 V C 1.420 177.560 176.094 0.076 0.000 1.336 421 V CA 0.354 62.779 62.300 0.208 0.000 1.137 421 V CB -0.201 31.717 31.823 0.157 0.000 0.966 421 V HN 0.339 nan 8.190 nan 0.000 0.428 422 Q N 2.639 122.475 119.800 0.061 0.000 2.167 422 Q HA 0.050 4.387 4.340 -0.004 0.000 0.202 422 Q C 0.568 176.548 176.000 -0.033 0.000 0.970 422 Q CA 1.712 57.520 55.803 0.007 0.000 0.855 422 Q CB -0.023 28.720 28.738 0.008 0.000 0.911 422 Q HN 1.059 nan 8.270 nan 0.000 0.438 423 D N -2.788 117.593 120.400 -0.032 0.000 2.759 423 D HA 0.098 4.736 4.640 -0.004 0.000 0.321 423 D C 0.091 176.361 176.300 -0.049 0.000 1.267 423 D CA -0.661 53.291 54.000 -0.081 0.000 0.933 423 D CB 0.125 40.866 40.800 -0.099 0.000 1.431 423 D HN -0.229 nan 8.370 nan 0.000 0.504 424 E N -0.926 119.214 120.200 -0.100 0.000 2.396 424 E HA -0.133 4.214 4.350 -0.004 0.000 0.200 424 E C 1.038 177.652 176.600 0.024 0.000 1.023 424 E CA 1.210 57.578 56.400 -0.054 0.000 0.857 424 E CB -0.154 29.471 29.700 -0.125 0.000 0.775 424 E HN 0.460 nan 8.360 nan 0.000 0.525 425 T N 0.385 114.845 114.554 -0.157 0.000 2.597 425 T HA -0.207 4.140 4.350 -0.004 0.000 0.267 425 T C 1.025 175.437 174.700 -0.481 0.000 1.053 425 T CA 1.337 63.166 62.100 -0.450 0.000 1.165 425 T CB -0.310 68.040 68.868 -0.863 0.000 0.863 425 T HN 0.222 nan 8.240 nan 0.000 0.427 426 F N 0.311 120.150 119.950 -0.185 0.000 2.701 426 F HA 0.390 4.914 4.527 -0.004 0.000 0.295 426 F C -0.164 175.207 175.800 -0.716 0.000 1.165 426 F CA -0.799 56.926 58.000 -0.458 0.000 1.399 426 F CB -0.191 38.425 39.000 -0.640 0.000 0.996 426 F HN 0.036 nan 8.300 nan 0.000 0.513 427 F N -2.168 117.780 119.950 -0.004 0.000 2.561 427 F HA 0.505 5.029 4.527 -0.005 0.000 0.321 427 F C 0.976 176.777 175.800 0.000 0.000 1.065 427 F CA -0.936 57.065 58.000 0.001 0.000 0.934 427 F CB 1.158 40.131 39.000 -0.046 0.000 1.215 427 F HN -0.006 nan 8.300 nan 0.000 0.471 428 C N 0.019 119.460 119.300 0.235 0.000 5.885 428 C HA -0.230 4.227 4.460 -0.004 0.000 0.328 428 C C 0.029 175.073 174.990 0.090 0.000 2.433 428 C CA 0.640 59.752 59.018 0.158 0.000 2.197 428 C CB -1.470 26.350 27.740 0.133 0.000 3.236 428 C HN 0.972 nan 8.230 nan 0.000 0.260 429 Q N 0.000 119.835 119.800 0.058 0.000 2.315 429 Q HA 0.000 4.337 4.340 -0.004 0.000 0.214 429 Q CA 0.000 55.826 55.803 0.038 0.000 1.022 429 Q CB 0.000 28.765 28.738 0.045 0.000 1.108 429 Q HN 0.000 nan 8.270 nan 0.000 0.481