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 1e8c_1_A DATA FIRST_RESID 3 DATA SEQUENCE RNLRDLLAPW VPDAPSRALR EXTLDSRVAA AGDLFVAVVG HQADGRRYIP DATA SEQUENCE QAIAQGVAAI IAEAKDEATD GEIREXHGVP VIYLSQLNER LSALAGRFYH DATA SEQUENCE EPSDNLRLVG VTGTNGKTTT TQLLAQWSQL LGEISAVXGT VGNGLLGKVI DATA SEQUENCE PTENTTGSAV DVQHELAGLV DQGATFCAXE VSSHGLVQHR VAALKFAASV DATA SEQUENCE FTNLSRDHLD YHGDXEHYEA AXWLLYSEHH CGQAIINADD EVGRRWLAKL DATA SEQUENCE PDAVAVSXED HINPNCHGRW LKATEVNYHD SGATIRFSSS WGDGEIESHL DATA SEQUENCE XGAFNVSNLL LALATLLALG YPLADLLKTA ARLQPVCGRX EVFTAPGKPT DATA SEQUENCE VVVDYAHTPD ALEKALQAAR LHCAGKLWCV FGCGGDRDKG KRPLXGAIAE DATA SEQUENCE EFADVAVVTD DNPRTEEPRA IINDILAGXL DAGHAKVXEG RAEAVTCAVX DATA SEQUENCE QAKENDVVLV AGKGHEDYQI VGNQRLDYSD RVTVARLLGV IARSHH 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.200 176.300 -0.167 0.000 0.893 3 R CA 0.000 55.916 56.100 -0.306 0.000 0.921 3 R CB 0.000 29.870 30.300 -0.716 0.000 0.687 4 N N 2.377 121.006 118.700 -0.118 0.000 2.421 4 N HA 0.141 4.881 4.740 -0.000 0.000 0.285 4 N C 0.671 176.166 175.510 -0.026 0.000 1.027 4 N CA -0.393 52.626 53.050 -0.052 0.000 0.918 4 N CB 1.748 40.211 38.487 -0.040 0.000 1.152 4 N HN 0.588 nan 8.380 nan 0.000 0.485 5 L N 4.933 126.163 121.223 0.013 0.000 2.013 5 L HA -0.109 4.230 4.340 -0.000 0.000 0.212 5 L C 2.377 179.261 176.870 0.024 0.000 1.073 5 L CA 1.849 56.711 54.840 0.037 0.000 0.753 5 L CB -0.472 41.609 42.059 0.038 0.000 0.890 5 L HN 0.686 nan 8.230 nan 0.000 0.432 6 R N -0.647 119.857 120.500 0.007 0.000 2.094 6 R HA -0.239 4.101 4.340 -0.000 0.000 0.239 6 R C 2.174 178.464 176.300 -0.016 0.000 1.137 6 R CA 2.152 58.251 56.100 -0.001 0.000 0.943 6 R CB -0.676 29.619 30.300 -0.008 0.000 0.850 6 R HN 0.540 nan 8.270 nan 0.000 0.433 7 D N 0.205 120.585 120.400 -0.033 0.000 2.178 7 D HA -0.154 4.486 4.640 -0.000 0.000 0.202 7 D C 1.953 178.214 176.300 -0.065 0.000 0.974 7 D CA 0.691 54.656 54.000 -0.058 0.000 0.841 7 D CB -0.072 40.689 40.800 -0.066 0.000 0.953 7 D HN 0.245 nan 8.370 nan 0.000 0.478 8 L N 0.177 121.381 121.223 -0.032 0.000 2.012 8 L HA -0.057 4.282 4.340 -0.000 0.000 0.210 8 L C 1.948 178.869 176.870 0.084 0.000 1.073 8 L CA 1.638 56.488 54.840 0.017 0.000 0.748 8 L CB -0.365 41.742 42.059 0.080 0.000 0.891 8 L HN 0.112 nan 8.230 nan 0.000 0.431 9 L N -0.945 120.333 121.223 0.092 0.000 2.607 9 L HA 0.216 4.556 4.340 -0.000 0.000 0.228 9 L C 2.431 179.314 176.870 0.022 0.000 1.123 9 L CA 0.378 55.323 54.840 0.175 0.000 0.890 9 L CB -0.699 41.467 42.059 0.177 0.000 1.103 9 L HN 0.281 nan 8.230 nan 0.000 0.468 10 A N 1.560 124.330 122.820 -0.083 0.000 1.940 10 A HA -0.185 4.135 4.320 -0.000 0.000 0.221 10 A C -0.166 177.261 177.584 -0.263 0.000 1.190 10 A CA 1.955 53.909 52.037 -0.139 0.000 0.647 10 A CB -1.688 17.228 19.000 -0.140 0.000 0.821 10 A HN 0.304 nan 8.150 nan 0.000 0.457 11 P HA -0.067 nan 4.420 nan 0.000 0.234 11 P C 0.660 177.395 177.300 -0.941 0.000 1.167 11 P CA 0.806 63.369 63.100 -0.895 0.000 0.763 11 P CB 0.085 30.897 31.700 -1.481 0.000 0.835 12 W N -3.027 118.264 121.300 -0.015 0.000 3.864 12 W HA 0.274 4.934 4.660 -0.000 0.000 0.197 12 W C -0.322 176.192 176.519 -0.008 0.000 1.100 12 W CA 0.202 57.539 57.345 -0.012 0.000 1.557 12 W CB 0.655 30.106 29.460 -0.014 0.000 0.673 12 W HN -0.434 nan 8.180 nan 0.000 0.888 13 V N 3.742 123.772 119.914 0.193 0.000 2.313 13 V HA 0.141 4.261 4.120 -0.000 0.000 0.262 13 V C -1.053 175.073 176.094 0.053 0.000 1.011 13 V CA -0.953 61.416 62.300 0.115 0.000 0.858 13 V CB 1.161 33.056 31.823 0.120 0.000 1.104 13 V HN -0.232 nan 8.190 nan 0.000 0.456 14 P HA -0.164 nan 4.420 nan 0.000 0.223 14 P C 0.641 177.944 177.300 0.005 0.000 1.144 14 P CA 1.366 64.463 63.100 -0.004 0.000 0.783 14 P CB 0.336 32.028 31.700 -0.013 0.000 0.771 15 D N -0.682 119.729 120.400 0.019 0.000 2.339 15 D HA 0.116 4.756 4.640 -0.000 0.000 0.217 15 D C 0.644 176.957 176.300 0.022 0.000 1.050 15 D CA -0.267 53.744 54.000 0.018 0.000 0.856 15 D CB -0.470 40.343 40.800 0.022 0.000 0.922 15 D HN 0.031 nan 8.370 nan 0.000 0.518 16 A N 2.792 125.627 122.820 0.026 0.000 2.546 16 A HA 0.270 4.590 4.320 -0.000 0.000 0.243 16 A C -1.887 175.708 177.584 0.018 0.000 1.063 16 A CA -0.775 51.278 52.037 0.027 0.000 0.757 16 A CB -0.178 18.843 19.000 0.035 0.000 0.991 16 A HN 0.123 nan 8.150 nan 0.000 0.503 17 P HA 0.093 nan 4.420 nan 0.000 0.272 17 P C -0.023 177.284 177.300 0.012 0.000 1.223 17 P CA -0.164 62.945 63.100 0.015 0.000 0.784 17 P CB 0.890 32.600 31.700 0.017 0.000 0.923 18 S N 2.537 118.242 115.700 0.008 0.000 2.531 18 S HA 0.284 4.754 4.470 -0.000 0.000 0.279 18 S C -0.112 174.493 174.600 0.010 0.000 1.305 18 S CA -0.234 57.969 58.200 0.005 0.000 1.058 18 S CB -0.529 62.671 63.200 0.001 0.000 0.899 18 S HN 0.405 nan 8.310 nan 0.000 0.493 19 R N 1.923 122.430 120.500 0.010 0.000 2.647 19 R HA 0.363 4.703 4.340 -0.000 0.000 0.260 19 R C -1.171 175.138 176.300 0.016 0.000 1.154 19 R CA -0.482 55.628 56.100 0.016 0.000 1.029 19 R CB 1.342 31.657 30.300 0.024 0.000 1.262 19 R HN 0.740 nan 8.270 nan 0.000 0.437 20 A N 4.581 127.409 122.820 0.014 0.000 2.440 20 A HA 0.542 4.862 4.320 -0.000 0.000 0.251 20 A C -0.395 177.209 177.584 0.033 0.000 1.089 20 A CA 0.025 52.067 52.037 0.010 0.000 0.779 20 A CB 0.286 19.289 19.000 0.006 0.000 1.022 20 A HN 0.542 nan 8.150 nan 0.000 0.492 21 L N 2.446 123.694 121.223 0.042 0.000 2.362 21 L HA 0.514 4.854 4.340 -0.000 0.000 0.271 21 L C 1.074 178.020 176.870 0.126 0.000 1.002 21 L CA -0.706 54.203 54.840 0.115 0.000 0.818 21 L CB 2.064 44.262 42.059 0.232 0.000 1.298 21 L HN 0.920 nan 8.230 nan 0.000 0.420 22 R N 0.174 120.765 120.500 0.151 0.000 2.051 22 R HA 0.216 4.556 4.340 -0.000 0.000 0.218 22 R C -0.013 176.433 176.300 0.242 0.000 1.188 22 R CA 0.327 56.514 56.100 0.144 0.000 0.992 22 R CB 0.353 30.711 30.300 0.096 0.000 0.883 22 R HN 0.540 nan 8.270 nan 0.000 0.444 26 L N 1.595 122.868 121.223 0.082 0.000 2.585 26 L HA 0.401 4.741 4.340 -0.000 0.000 0.226 26 L C 0.469 177.495 176.870 0.261 0.000 1.113 26 L CA 0.160 55.056 54.840 0.094 0.000 0.876 26 L CB 0.357 42.436 42.059 0.035 0.000 1.072 26 L HN 0.548 nan 8.230 nan 0.000 0.468 27 D N -0.618 119.911 120.400 0.215 0.000 2.381 27 D HA 0.095 4.734 4.640 -0.000 0.000 0.235 27 D C 1.090 177.373 176.300 -0.028 0.000 1.068 27 D CA 0.054 54.117 54.000 0.105 0.000 0.832 27 D CB 1.839 42.645 40.800 0.009 0.000 1.101 27 D HN -0.005 nan 8.370 nan 0.000 0.515 28 S N 4.023 119.559 115.700 -0.273 0.000 2.399 28 S HA -0.180 4.290 4.470 -0.000 0.000 0.231 28 S C 1.615 176.022 174.600 -0.322 0.000 1.022 28 S CA 0.649 58.479 58.200 -0.616 0.000 0.983 28 S CB -0.085 62.664 63.200 -0.753 0.000 0.803 28 S HN 0.524 nan 8.310 nan 0.000 0.480 29 R N 0.829 121.185 120.500 -0.239 0.000 2.193 29 R HA 0.004 4.344 4.340 -0.000 0.000 0.229 29 R C 1.510 177.749 176.300 -0.103 0.000 1.110 29 R CA 1.409 57.414 56.100 -0.158 0.000 0.988 29 R CB -0.417 29.798 30.300 -0.142 0.000 0.871 29 R HN 0.624 nan 8.270 nan 0.000 0.458 30 V N -3.829 116.033 119.914 -0.087 0.000 3.070 30 V HA 0.496 4.616 4.120 -0.000 0.000 0.345 30 V C 0.058 176.132 176.094 -0.034 0.000 1.403 30 V CA -0.530 61.744 62.300 -0.043 0.000 1.155 30 V CB 0.675 32.489 31.823 -0.014 0.000 1.140 30 V HN 0.043 nan 8.190 nan 0.000 0.505 31 A N 1.145 123.922 122.820 -0.072 0.000 2.279 31 A HA 0.905 5.225 4.320 -0.000 0.000 0.306 31 A C 0.557 178.116 177.584 -0.041 0.000 1.300 31 A CA 0.425 52.432 52.037 -0.050 0.000 0.925 31 A CB 0.326 19.261 19.000 -0.108 0.000 1.152 31 A HN 1.175 nan 8.150 nan 0.000 0.544 32 A N 2.304 125.119 122.820 -0.008 0.000 2.239 32 A HA 0.804 5.124 4.320 -0.000 0.000 0.303 32 A C 0.826 178.415 177.584 0.009 0.000 1.114 32 A CA -0.059 51.977 52.037 -0.001 0.000 0.871 32 A CB 0.083 19.090 19.000 0.012 0.000 1.201 32 A HN 2.102 nan 8.150 nan 0.000 0.506 33 A N -1.164 121.663 122.820 0.012 0.000 2.548 33 A HA 0.462 4.782 4.320 -0.000 0.000 0.247 33 A C 1.472 179.074 177.584 0.030 0.000 1.067 33 A CA 0.882 52.931 52.037 0.019 0.000 0.757 33 A CB -1.117 17.892 19.000 0.016 0.000 0.996 33 A HN 2.704 nan 8.150 nan 0.000 0.504 34 G N 2.309 111.130 108.800 0.036 0.000 2.176 34 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.253 34 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.253 34 G C -0.012 174.925 174.900 0.060 0.000 0.979 34 G CA 0.403 45.530 45.100 0.046 0.000 0.641 34 G HN 0.799 nan 8.290 nan 0.000 0.530 35 D N -0.512 119.921 120.400 0.055 0.000 2.411 35 D HA 0.573 5.213 4.640 -0.000 0.000 0.251 35 D C 0.351 176.689 176.300 0.062 0.000 1.201 35 D CA -0.312 53.723 54.000 0.058 0.000 0.996 35 D CB 1.266 42.088 40.800 0.038 0.000 1.101 35 D HN 0.309 nan 8.370 nan 0.000 0.504 36 L N 1.347 122.587 121.223 0.027 0.000 2.298 36 L HA 0.387 4.727 4.340 -0.000 0.000 0.284 36 L C -1.382 175.510 176.870 0.037 0.000 1.013 36 L CA -0.656 54.191 54.840 0.012 0.000 0.824 36 L CB 0.686 42.709 42.059 -0.060 0.000 1.221 36 L HN 0.115 nan 8.230 nan 0.000 0.418 37 F N 6.243 126.150 119.950 -0.071 0.000 2.410 37 F HA 0.625 5.152 4.527 -0.000 0.000 0.349 37 F C -0.804 174.951 175.800 -0.074 0.000 1.117 37 F CA -0.830 57.131 58.000 -0.066 0.000 1.104 37 F CB 1.243 40.223 39.000 -0.033 0.000 1.122 37 F HN 0.214 nan 8.300 nan 0.000 0.483 38 V N 6.506 126.031 119.914 -0.648 0.000 2.347 38 V HA 0.640 4.760 4.120 -0.000 0.000 0.280 38 V C 0.013 175.535 176.094 -0.954 0.000 1.021 38 V CA -0.724 61.188 62.300 -0.646 0.000 0.847 38 V CB 0.771 32.401 31.823 -0.321 0.000 0.990 38 V HN 0.989 nan 8.190 nan 0.000 0.444 39 A N 5.883 128.193 122.820 -0.850 0.000 2.280 39 A HA 0.792 5.112 4.320 -0.000 0.000 0.320 39 A C -0.235 177.215 177.584 -0.222 0.000 1.366 39 A CA -0.433 51.269 52.037 -0.559 0.000 0.938 39 A CB 0.792 19.549 19.000 -0.405 0.000 1.157 39 A HN 1.131 nan 8.150 nan 0.000 0.536 40 V N 0.717 120.563 119.914 -0.113 0.000 3.103 40 V HA 0.799 4.919 4.120 -0.000 0.000 0.318 40 V C -0.140 175.963 176.094 0.016 0.000 1.114 40 V CA -0.909 61.363 62.300 -0.047 0.000 1.020 40 V CB 1.581 33.379 31.823 -0.042 0.000 1.085 40 V HN 0.452 nan 8.190 nan 0.000 0.446 41 V N 2.267 122.188 119.914 0.012 0.000 2.432 41 V HA 0.688 4.808 4.120 -0.000 0.000 0.271 41 V C 1.048 177.157 176.094 0.025 0.000 1.046 41 V CA 0.866 63.181 62.300 0.025 0.000 0.945 41 V CB 0.323 32.148 31.823 0.004 0.000 0.992 41 V HN 1.285 nan 8.190 nan 0.000 0.471 42 G N 2.085 110.922 108.800 0.061 0.000 2.671 42 G HA2 0.355 4.315 3.960 -0.000 0.000 0.275 42 G HA3 0.355 4.315 3.960 -0.000 0.000 0.275 42 G C 0.298 175.227 174.900 0.048 0.000 1.368 42 G CA -0.292 44.865 45.100 0.094 0.000 1.044 42 G HN 0.747 nan 8.290 nan 0.000 0.543 43 H N -1.174 117.946 119.070 0.083 0.000 2.502 43 H HA 0.108 4.664 4.556 -0.000 0.000 0.283 43 H C 2.228 177.600 175.328 0.073 0.000 1.015 43 H CA 1.135 57.233 56.048 0.084 0.000 1.298 43 H CB 0.604 30.426 29.762 0.100 0.000 1.411 43 H HN 0.233 nan 8.280 nan 0.000 0.556 44 Q N -0.913 119.005 119.800 0.195 0.000 2.477 44 Q HA 0.465 4.805 4.340 -0.000 0.000 0.252 44 Q C 0.525 176.595 176.000 0.117 0.000 0.869 44 Q CA 0.627 56.512 55.803 0.137 0.000 0.969 44 Q CB 1.231 30.042 28.738 0.122 0.000 1.144 44 Q HN 0.310 nan 8.270 nan 0.000 0.577 45 A N 0.413 123.313 122.820 0.134 0.000 2.524 45 A HA 0.545 4.865 4.320 -0.000 0.000 0.286 45 A C -1.543 176.123 177.584 0.136 0.000 1.203 45 A CA -0.496 51.627 52.037 0.142 0.000 0.736 45 A CB 1.548 20.679 19.000 0.218 0.000 1.322 45 A HN -0.040 nan 8.150 nan 0.000 0.424 46 D N -0.057 120.418 120.400 0.124 0.000 2.414 46 D HA 0.436 5.076 4.640 -0.000 0.000 0.232 46 D C 1.267 177.670 176.300 0.172 0.000 1.070 46 D CA 0.382 54.443 54.000 0.102 0.000 0.839 46 D CB 1.436 42.262 40.800 0.043 0.000 1.079 46 D HN 0.585 nan 8.370 nan 0.000 0.521 47 G N 3.557 112.490 108.800 0.221 0.000 2.462 47 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 47 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 47 G C 1.477 176.588 174.900 0.352 0.000 1.121 47 G CA 0.395 45.717 45.100 0.370 0.000 0.758 47 G HN 0.498 nan 8.290 nan 0.000 0.559 48 R N -0.104 120.492 120.500 0.160 0.000 2.152 48 R HA -0.000 4.340 4.340 -0.000 0.000 0.232 48 R C 2.522 178.880 176.300 0.095 0.000 1.117 48 R CA 0.814 56.991 56.100 0.128 0.000 0.981 48 R CB -0.187 30.163 30.300 0.083 0.000 0.870 48 R HN 0.302 nan 8.270 nan 0.000 0.451 49 R N -0.611 119.875 120.500 -0.023 0.000 2.316 49 R HA -0.088 4.251 4.340 -0.000 0.000 0.202 49 R C 0.618 176.719 176.300 -0.331 0.000 1.029 49 R CA 0.826 56.801 56.100 -0.209 0.000 1.018 49 R CB 0.120 30.214 30.300 -0.344 0.000 0.888 49 R HN 0.306 nan 8.270 nan 0.000 0.471 50 Y N -0.591 119.784 120.300 0.125 0.000 2.458 50 Y HA 0.202 4.752 4.550 -0.000 0.000 0.256 50 Y C 1.663 177.588 175.900 0.042 0.000 1.159 50 Y CA -0.508 57.625 58.100 0.055 0.000 1.261 50 Y CB 0.066 38.536 38.460 0.016 0.000 1.119 50 Y HN -0.053 nan 8.280 nan 0.000 0.524 51 I N 0.990 121.722 120.570 0.270 0.000 2.208 51 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 51 I C -0.587 175.602 176.117 0.120 0.000 1.097 51 I CA 1.296 62.749 61.300 0.256 0.000 1.363 51 I CB -1.192 36.930 38.000 0.204 0.000 1.051 51 I HN 0.139 nan 8.210 nan 0.000 0.413 52 P HA -0.194 nan 4.420 nan 0.000 0.215 52 P C 1.496 178.838 177.300 0.070 0.000 1.153 52 P CA 1.488 64.638 63.100 0.083 0.000 0.853 52 P CB -0.016 31.724 31.700 0.066 0.000 0.788 53 Q N -0.909 118.920 119.800 0.048 0.000 2.079 53 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 53 Q C 2.251 178.223 176.000 -0.047 0.000 0.974 53 Q CA 1.577 57.389 55.803 0.015 0.000 0.840 53 Q CB -0.720 28.043 28.738 0.041 0.000 0.898 53 Q HN 0.161 nan 8.270 nan 0.000 0.430 54 A N 0.989 123.739 122.820 -0.118 0.000 1.877 54 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 54 A C 2.040 179.602 177.584 -0.036 0.000 1.186 54 A CA 1.223 53.146 52.037 -0.190 0.000 0.620 54 A CB -0.665 18.110 19.000 -0.375 0.000 0.822 54 A HN 0.311 nan 8.150 nan 0.000 0.443 55 I N -0.289 120.302 120.570 0.035 0.000 2.226 55 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 55 I C 2.912 179.066 176.117 0.063 0.000 1.100 55 I CA 1.023 62.370 61.300 0.079 0.000 1.374 55 I CB -0.330 37.757 38.000 0.144 0.000 1.057 55 I HN 0.363 nan 8.210 nan 0.000 0.413 56 A N -0.031 122.819 122.820 0.050 0.000 2.019 56 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 56 A C 2.159 179.745 177.584 0.003 0.000 1.164 56 A CA 1.414 53.464 52.037 0.023 0.000 0.644 56 A CB -0.487 18.523 19.000 0.017 0.000 0.805 56 A HN 0.500 nan 8.150 nan 0.000 0.449 57 Q N -1.885 117.909 119.800 -0.009 0.000 2.451 57 Q HA 0.240 4.580 4.340 -0.000 0.000 0.206 57 Q C 1.046 177.042 176.000 -0.007 0.000 0.947 57 Q CA 0.437 56.228 55.803 -0.020 0.000 0.937 57 Q CB 0.127 28.834 28.738 -0.051 0.000 1.025 57 Q HN 0.881 nan 8.270 nan 0.000 0.511 58 G N 0.982 109.787 108.800 0.008 0.000 2.130 58 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 58 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 58 G C 0.270 175.186 174.900 0.027 0.000 0.999 58 G CA 0.056 45.167 45.100 0.019 0.000 0.686 58 G HN 0.349 nan 8.290 nan 0.000 0.515 59 V N -1.919 118.013 119.914 0.030 0.000 3.139 59 V HA 0.634 4.754 4.120 -0.000 0.000 0.307 59 V C 1.600 177.727 176.094 0.054 0.000 1.095 59 V CA 0.989 63.317 62.300 0.047 0.000 1.160 59 V CB 0.966 32.834 31.823 0.075 0.000 1.003 59 V HN 1.458 nan 8.190 nan 0.000 0.489 60 A N 2.779 125.633 122.820 0.057 0.000 1.975 60 A HA 0.726 5.046 4.320 -0.000 0.000 0.215 60 A C 1.207 178.821 177.584 0.050 0.000 1.170 60 A CA 1.016 53.085 52.037 0.052 0.000 0.656 60 A CB -0.304 18.728 19.000 0.053 0.000 0.821 60 A HN 2.138 nan 8.150 nan 0.000 0.449 61 A N -1.445 121.408 122.820 0.055 0.000 2.599 61 A HA 0.715 5.035 4.320 -0.000 0.000 0.290 61 A C -1.383 176.222 177.584 0.035 0.000 1.101 61 A CA -0.435 51.624 52.037 0.037 0.000 0.674 61 A CB 0.684 19.701 19.000 0.029 0.000 1.277 61 A HN 0.262 nan 8.150 nan 0.000 0.419 62 I N 0.530 121.092 120.570 -0.015 0.000 2.619 62 I HA 0.448 4.618 4.170 -0.000 0.000 0.292 62 I C -1.239 174.774 176.117 -0.173 0.000 1.100 62 I CA -0.327 60.931 61.300 -0.069 0.000 1.043 62 I CB 2.147 40.128 38.000 -0.031 0.000 1.239 62 I HN 0.503 nan 8.210 nan 0.000 0.420 63 I N 4.878 125.307 120.570 -0.236 0.000 2.389 63 I HA 0.664 4.834 4.170 -0.000 0.000 0.288 63 I C -0.139 175.779 176.117 -0.332 0.000 0.999 63 I CA -0.337 60.810 61.300 -0.254 0.000 1.129 63 I CB 1.848 39.736 38.000 -0.188 0.000 1.288 63 I HN 0.626 nan 8.210 nan 0.000 0.444 64 A N 4.655 127.247 122.820 -0.381 0.000 2.413 64 A HA 0.661 4.981 4.320 -0.000 0.000 0.307 64 A C -0.620 176.886 177.584 -0.131 0.000 1.087 64 A CA -0.610 51.237 52.037 -0.316 0.000 0.750 64 A CB 1.603 20.354 19.000 -0.415 0.000 1.296 64 A HN 0.641 nan 8.150 nan 0.000 0.423 65 E N 0.963 121.137 120.200 -0.043 0.000 2.414 65 E HA 0.381 4.731 4.350 -0.000 0.000 0.263 65 E C 0.841 177.538 176.600 0.162 0.000 1.000 65 E CA 0.748 57.161 56.400 0.022 0.000 0.914 65 E CB 1.080 30.780 29.700 -0.000 0.000 0.948 65 E HN 0.710 nan 8.360 nan 0.000 0.444 66 A N 5.241 128.137 122.820 0.128 0.000 2.072 66 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 66 A C 0.997 178.589 177.584 0.012 0.000 1.156 66 A CA 0.343 52.450 52.037 0.117 0.000 0.701 66 A CB -0.329 18.712 19.000 0.069 0.000 0.816 66 A HN 0.613 nan 8.150 nan 0.000 0.458 67 K N 1.087 121.493 120.400 0.010 0.000 2.511 67 K HA -0.118 4.202 4.320 -0.000 0.000 0.277 67 K C -0.510 176.077 176.600 -0.022 0.000 1.025 67 K CA 0.892 57.173 56.287 -0.011 0.000 1.112 67 K CB -0.050 32.445 32.500 -0.007 0.000 0.859 67 K HN 0.386 nan 8.250 nan 0.000 0.485 68 D N 1.900 122.279 120.400 -0.035 0.000 3.006 68 D HA -0.219 4.421 4.640 -0.000 0.000 0.208 68 D C 0.541 176.800 176.300 -0.068 0.000 1.116 68 D CA 1.883 55.857 54.000 -0.042 0.000 0.998 68 D CB -0.340 40.444 40.800 -0.027 0.000 1.124 68 D HN 0.782 nan 8.370 nan 0.000 0.413 69 E N -0.516 119.620 120.200 -0.106 0.000 2.444 69 E HA 0.490 4.840 4.350 -0.000 0.000 0.209 69 E C -0.011 176.398 176.600 -0.319 0.000 0.806 69 E CA 0.984 57.270 56.400 -0.189 0.000 1.240 69 E CB 0.969 30.557 29.700 -0.187 0.000 1.238 69 E HN 0.325 nan 8.360 nan 0.000 0.591 70 A N -0.528 122.102 122.820 -0.316 0.000 2.581 70 A HA 0.590 4.910 4.320 -0.000 0.000 0.290 70 A C -0.585 176.906 177.584 -0.154 0.000 1.119 70 A CA -0.296 51.544 52.037 -0.329 0.000 0.670 70 A CB 0.587 19.163 19.000 -0.706 0.000 1.280 70 A HN 0.152 nan 8.150 nan 0.000 0.425 71 T N -1.080 113.415 114.554 -0.099 0.000 2.904 71 T HA 0.478 4.828 4.350 -0.000 0.000 0.290 71 T C -0.059 174.643 174.700 0.004 0.000 1.018 71 T CA 0.005 62.083 62.100 -0.037 0.000 1.075 71 T CB 0.734 69.588 68.868 -0.023 0.000 0.986 71 T HN 0.680 nan 8.240 nan 0.000 0.523 72 D N 0.887 121.294 120.400 0.012 0.000 2.487 72 D HA 0.347 4.987 4.640 -0.000 0.000 0.243 72 D C 1.543 177.873 176.300 0.050 0.000 1.154 72 D CA 1.639 55.656 54.000 0.029 0.000 0.876 72 D CB -0.446 40.361 40.800 0.011 0.000 1.161 72 D HN 1.079 nan 8.370 nan 0.000 0.478 73 G N 3.087 111.930 108.800 0.072 0.000 2.157 73 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.248 73 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.248 73 G C 0.333 175.288 174.900 0.092 0.000 0.979 73 G CA 0.210 45.359 45.100 0.082 0.000 0.650 73 G HN 0.662 nan 8.290 nan 0.000 0.529 74 E N 0.112 120.382 120.200 0.117 0.000 2.384 74 E HA 0.447 4.797 4.350 -0.000 0.000 0.266 74 E C 0.288 176.995 176.600 0.179 0.000 1.012 74 E CA -0.300 56.173 56.400 0.123 0.000 0.901 74 E CB 0.252 30.001 29.700 0.082 0.000 0.967 74 E HN 0.382 nan 8.360 nan 0.000 0.435 75 I N 4.996 125.639 120.570 0.121 0.000 2.362 75 I HA 0.394 4.564 4.170 -0.000 0.000 0.289 75 I C 0.254 176.434 176.117 0.106 0.000 0.994 75 I CA -0.534 60.828 61.300 0.103 0.000 1.158 75 I CB 1.415 39.452 38.000 0.061 0.000 1.315 75 I HN 0.457 nan 8.210 nan 0.000 0.451 76 R N 4.325 124.898 120.500 0.122 0.000 2.905 76 R HA 0.682 5.022 4.340 -0.000 0.000 0.260 76 R C -0.951 175.385 176.300 0.059 0.000 1.086 76 R CA -0.987 55.177 56.100 0.106 0.000 0.978 76 R CB 2.224 32.636 30.300 0.187 0.000 1.215 76 R HN 0.435 nan 8.270 nan 0.000 0.480 80 G N 0.587 109.456 108.800 0.114 0.000 2.212 80 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.266 80 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.266 80 G C 0.178 175.113 174.900 0.058 0.000 0.978 80 G CA 0.401 45.546 45.100 0.074 0.000 0.632 80 G HN 0.282 nan 8.290 nan 0.000 0.537 81 V N 2.342 122.292 119.914 0.060 0.000 2.383 81 V HA 0.453 4.573 4.120 -0.000 0.000 0.275 81 V C -1.746 174.362 176.094 0.023 0.000 1.036 81 V CA -1.635 60.692 62.300 0.045 0.000 0.889 81 V CB 1.633 33.490 31.823 0.056 0.000 0.985 81 V HN 0.079 nan 8.190 nan 0.000 0.459 82 P HA 0.168 nan 4.420 nan 0.000 0.267 82 P C -0.850 176.436 177.300 -0.023 0.000 1.205 82 P CA 0.109 63.212 63.100 0.006 0.000 0.765 82 P CB 0.615 32.321 31.700 0.011 0.000 0.828 83 V N 5.736 125.622 119.914 -0.046 0.000 2.409 83 V HA 0.316 4.436 4.120 -0.000 0.000 0.290 83 V C -0.131 175.845 176.094 -0.196 0.000 1.017 83 V CA -0.502 61.707 62.300 -0.152 0.000 0.841 83 V CB 1.458 33.184 31.823 -0.161 0.000 1.003 83 V HN 0.374 nan 8.190 nan 0.000 0.426 84 I N 4.926 125.352 120.570 -0.240 0.000 2.354 84 I HA 0.444 4.614 4.170 -0.000 0.000 0.292 84 I C -0.541 175.405 176.117 -0.285 0.000 0.989 84 I CA -0.788 60.420 61.300 -0.153 0.000 1.188 84 I CB 1.256 39.220 38.000 -0.061 0.000 1.342 84 I HN 0.488 nan 8.210 nan 0.000 0.457 85 Y N 6.256 126.539 120.300 -0.027 0.000 2.320 85 Y HA 0.581 5.131 4.550 -0.000 0.000 0.334 85 Y C 0.125 175.996 175.900 -0.049 0.000 1.055 85 Y CA -0.399 57.676 58.100 -0.042 0.000 1.143 85 Y CB 1.453 39.893 38.460 -0.034 0.000 1.193 85 Y HN 0.331 nan 8.280 nan 0.000 0.477 86 L N 2.956 124.206 121.223 0.045 0.000 2.401 86 L HA 0.532 4.872 4.340 -0.000 0.000 0.266 86 L C -0.323 176.527 176.870 -0.034 0.000 0.991 86 L CA -1.013 53.813 54.840 -0.025 0.000 0.818 86 L CB 2.317 44.306 42.059 -0.117 0.000 1.321 86 L HN 0.638 nan 8.230 nan 0.000 0.413 87 S N 0.746 116.417 115.700 -0.047 0.000 2.601 87 S HA 0.299 4.769 4.470 -0.000 0.000 0.271 87 S C 0.047 174.591 174.600 -0.094 0.000 1.305 87 S CA -0.544 57.625 58.200 -0.051 0.000 1.022 87 S CB 1.333 64.510 63.200 -0.039 0.000 0.940 87 S HN 0.717 nan 8.310 nan 0.000 0.525 88 Q N -0.298 119.451 119.800 -0.085 0.000 2.453 88 Q HA -0.180 4.160 4.340 -0.000 0.000 0.294 88 Q C 0.446 176.352 176.000 -0.156 0.000 1.295 88 Q CA 0.422 56.157 55.803 -0.113 0.000 0.853 88 Q CB -1.584 27.081 28.738 -0.122 0.000 1.193 88 Q HN 0.734 nan 8.270 nan 0.000 0.461 89 L N 0.608 121.750 121.223 -0.134 0.000 2.042 89 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 89 L C 1.810 178.587 176.870 -0.155 0.000 1.076 89 L CA 2.235 56.981 54.840 -0.158 0.000 0.749 89 L CB -0.374 41.606 42.059 -0.131 0.000 0.893 89 L HN 0.383 nan 8.230 nan 0.000 0.432 90 N N 0.096 118.726 118.700 -0.118 0.000 2.137 90 N HA -0.225 4.515 4.740 -0.000 0.000 0.190 90 N C 1.569 176.973 175.510 -0.177 0.000 1.017 90 N CA 1.802 54.802 53.050 -0.084 0.000 0.859 90 N CB -0.183 38.300 38.487 -0.007 0.000 1.002 90 N HN 0.602 nan 8.380 nan 0.000 0.428 91 E N 0.270 120.258 120.200 -0.353 0.000 2.418 91 E HA -0.062 4.288 4.350 -0.000 0.000 0.197 91 E C 1.109 177.522 176.600 -0.311 0.000 1.026 91 E CA 0.437 56.476 56.400 -0.600 0.000 0.862 91 E CB 0.125 29.450 29.700 -0.626 0.000 0.799 91 E HN 0.477 nan 8.360 nan 0.000 0.518 92 R N -0.128 120.220 120.500 -0.253 0.000 2.472 92 R HA 0.241 4.581 4.340 -0.000 0.000 0.279 92 R C 1.731 177.905 176.300 -0.210 0.000 0.953 92 R CA -0.181 55.758 56.100 -0.269 0.000 1.088 92 R CB 0.117 30.165 30.300 -0.421 0.000 1.197 92 R HN 0.065 nan 8.270 nan 0.000 0.536 93 L N 0.724 121.867 121.223 -0.134 0.000 1.976 93 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 93 L C 2.481 179.340 176.870 -0.018 0.000 1.071 93 L CA 1.688 56.482 54.840 -0.075 0.000 0.746 93 L CB -0.447 41.590 42.059 -0.037 0.000 0.890 93 L HN 0.266 nan 8.230 nan 0.000 0.432 94 S N -0.516 115.194 115.700 0.017 0.000 2.359 94 S HA -0.219 4.251 4.470 -0.000 0.000 0.224 94 S C 2.064 176.700 174.600 0.061 0.000 1.035 94 S CA 1.430 59.664 58.200 0.058 0.000 1.018 94 S CB -0.118 63.135 63.200 0.087 0.000 0.876 94 S HN 0.464 nan 8.310 nan 0.000 0.448 95 A N 1.228 124.071 122.820 0.038 0.000 1.902 95 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 95 A C 2.236 179.895 177.584 0.124 0.000 1.181 95 A CA 1.473 53.561 52.037 0.085 0.000 0.623 95 A CB -0.834 18.215 19.000 0.083 0.000 0.818 95 A HN 0.566 nan 8.150 nan 0.000 0.443 96 L N -0.796 120.451 121.223 0.041 0.000 2.017 96 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 96 L C 3.112 180.056 176.870 0.124 0.000 1.073 96 L CA 1.215 56.102 54.840 0.079 0.000 0.745 96 L CB -0.506 41.523 42.059 -0.050 0.000 0.894 96 L HN 0.442 nan 8.230 nan 0.000 0.432 97 A N 0.001 122.883 122.820 0.104 0.000 1.972 97 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 97 A C 2.365 180.122 177.584 0.288 0.000 1.169 97 A CA 1.627 53.781 52.037 0.194 0.000 0.635 97 A CB -1.167 17.946 19.000 0.189 0.000 0.810 97 A HN 0.471 nan 8.150 nan 0.000 0.446 98 G N -0.420 108.494 108.800 0.190 0.000 2.418 98 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 98 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 98 G C 1.775 176.743 174.900 0.113 0.000 1.158 98 G CA 0.849 46.044 45.100 0.158 0.000 0.771 98 G HN 0.573 nan 8.290 nan 0.000 0.545 99 R N -0.918 119.635 120.500 0.088 0.000 2.092 99 R HA 0.034 4.374 4.340 -0.000 0.000 0.231 99 R C 2.291 178.503 176.300 -0.146 0.000 1.119 99 R CA 1.012 57.093 56.100 -0.031 0.000 0.970 99 R CB -0.523 29.797 30.300 0.033 0.000 0.864 99 R HN 0.397 nan 8.270 nan 0.000 0.440 100 F N 0.305 120.152 119.950 -0.172 0.000 2.095 100 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 100 F C 1.143 176.721 175.800 -0.371 0.000 1.104 100 F CA 1.532 59.340 58.000 -0.320 0.000 1.232 100 F CB -0.011 38.739 39.000 -0.417 0.000 0.987 100 F HN -0.043 nan 8.300 nan 0.000 0.475 101 Y N -0.529 119.923 120.300 0.253 0.000 2.532 101 Y HA 0.184 4.734 4.550 0.000 0.000 0.283 101 Y C -0.087 175.960 175.900 0.244 0.000 1.181 101 Y CA -0.091 58.170 58.100 0.269 0.000 1.256 101 Y CB -1.311 37.318 38.460 0.282 0.000 1.112 101 Y HN 0.145 nan 8.280 nan 0.000 0.521 102 H N 0.039 119.169 119.070 0.100 0.000 2.750 102 H HA -0.157 4.399 4.556 -0.000 0.000 0.327 102 H C -0.376 174.987 175.328 0.059 0.000 1.199 102 H CA 0.292 56.370 56.048 0.049 0.000 1.149 102 H CB -1.812 27.960 29.762 0.016 0.000 1.543 102 H HN 0.213 nan 8.280 nan 0.000 0.427 103 E N -2.978 117.285 120.200 0.106 0.000 2.202 103 E HA -0.199 4.151 4.350 -0.000 0.000 0.169 103 E C -1.613 175.021 176.600 0.056 0.000 1.536 103 E CA 0.869 57.306 56.400 0.061 0.000 0.664 103 E CB -0.719 28.991 29.700 0.016 0.000 1.064 103 E HN 0.505 nan 8.360 nan 0.000 0.327 104 P HA -0.180 nan 4.420 nan 0.000 0.216 104 P C 1.512 178.801 177.300 -0.017 0.000 1.150 104 P CA 1.859 64.983 63.100 0.041 0.000 0.837 104 P CB 0.013 31.738 31.700 0.042 0.000 0.786 105 S N -1.809 113.857 115.700 -0.056 0.000 2.595 105 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 105 S C 1.315 175.864 174.600 -0.086 0.000 0.974 105 S CA 0.879 59.013 58.200 -0.110 0.000 0.942 105 S CB -0.872 62.207 63.200 -0.201 0.000 0.766 105 S HN 0.119 nan 8.310 nan 0.000 0.536 106 D N 1.674 122.044 120.400 -0.050 0.000 2.350 106 D HA 0.108 4.748 4.640 -0.000 0.000 0.213 106 D C 0.422 176.712 176.300 -0.017 0.000 1.031 106 D CA 0.240 54.219 54.000 -0.036 0.000 0.861 106 D CB -0.094 40.691 40.800 -0.026 0.000 0.926 106 D HN 0.380 nan 8.370 nan 0.000 0.520 107 N N 0.627 119.320 118.700 -0.012 0.000 2.273 107 N HA 0.151 4.891 4.740 -0.000 0.000 0.231 107 N C -0.256 175.255 175.510 0.002 0.000 1.134 107 N CA 0.051 53.101 53.050 0.001 0.000 0.856 107 N CB 1.108 39.601 38.487 0.011 0.000 1.068 107 N HN 0.159 nan 8.380 nan 0.000 0.510 108 L N -3.260 117.956 121.223 -0.012 0.000 2.794 108 L HA 0.501 4.841 4.340 -0.000 0.000 0.261 108 L C -0.939 175.908 176.870 -0.039 0.000 0.989 108 L CA -1.168 53.668 54.840 -0.006 0.000 0.900 108 L CB 1.232 43.282 42.059 -0.014 0.000 1.473 108 L HN -0.224 nan 8.230 nan 0.000 0.414 109 R N 1.366 121.845 120.500 -0.034 0.000 2.216 109 R HA 0.663 5.003 4.340 -0.000 0.000 0.332 109 R C -1.007 175.106 176.300 -0.311 0.000 1.056 109 R CA -0.616 55.431 56.100 -0.088 0.000 0.901 109 R CB 1.116 31.450 30.300 0.058 0.000 1.039 109 R HN 0.611 nan 8.270 nan 0.000 0.456 110 L N 4.218 125.312 121.223 -0.216 0.000 2.282 110 L HA 0.355 4.695 4.340 -0.000 0.000 0.288 110 L C -0.932 175.903 176.870 -0.058 0.000 1.033 110 L CA -0.501 54.211 54.840 -0.214 0.000 0.807 110 L CB 1.810 43.749 42.059 -0.200 0.000 1.209 110 L HN 0.300 nan 8.230 nan 0.000 0.423 111 V N 4.873 124.718 119.914 -0.116 0.000 2.448 111 V HA 0.732 4.852 4.120 -0.000 0.000 0.295 111 V C 0.554 176.705 176.094 0.094 0.000 1.025 111 V CA -0.413 61.899 62.300 0.019 0.000 0.859 111 V CB 1.332 33.120 31.823 -0.059 0.000 0.988 111 V HN 0.904 nan 8.190 nan 0.000 0.431 112 G N 3.237 112.047 108.800 0.017 0.000 2.371 112 G HA2 0.628 4.588 3.960 -0.000 0.000 0.326 112 G HA3 0.628 4.588 3.960 -0.000 0.000 0.326 112 G C -1.116 173.684 174.900 -0.166 0.000 1.127 112 G CA -0.454 44.537 45.100 -0.182 0.000 0.885 112 G HN 0.558 nan 8.290 nan 0.000 0.477 113 V N 1.092 120.960 119.914 -0.077 0.000 2.531 113 V HA 0.673 4.793 4.120 -0.000 0.000 0.301 113 V C 0.127 176.223 176.094 0.003 0.000 1.034 113 V CA -0.607 61.683 62.300 -0.016 0.000 0.865 113 V CB 1.594 33.430 31.823 0.022 0.000 0.995 113 V HN 0.850 nan 8.190 nan 0.000 0.424 114 T N 2.581 117.164 114.554 0.048 0.000 2.916 114 T HA 0.933 5.283 4.350 -0.000 0.000 0.292 114 T C -0.292 174.468 174.700 0.099 0.000 1.064 114 T CA 0.286 62.445 62.100 0.099 0.000 1.011 114 T CB 1.834 70.777 68.868 0.125 0.000 1.152 114 T HN 1.566 nan 8.240 nan 0.000 0.510 115 G N 0.936 109.791 108.800 0.092 0.000 2.337 115 G HA2 0.203 4.163 3.960 -0.000 0.000 0.310 115 G HA3 0.203 4.163 3.960 -0.000 0.000 0.310 115 G C 0.457 175.402 174.900 0.075 0.000 1.534 115 G CA 0.177 45.237 45.100 -0.066 0.000 0.982 115 G HN 0.669 nan 8.290 nan 0.000 0.672 116 T N 0.247 114.840 114.554 0.066 0.000 2.708 116 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 116 T C 1.029 175.822 174.700 0.155 0.000 1.037 116 T CA 1.853 64.079 62.100 0.210 0.000 1.146 116 T CB -0.268 68.713 68.868 0.189 0.000 0.865 116 T HN 0.540 nan 8.240 nan 0.000 0.435 117 N N -1.124 117.631 118.700 0.092 0.000 2.272 117 N HA 0.503 5.243 4.740 -0.000 0.000 0.305 117 N C 0.498 176.221 175.510 0.354 0.000 1.103 117 N CA -0.038 53.105 53.050 0.155 0.000 0.791 117 N CB 2.042 40.484 38.487 -0.076 0.000 1.356 117 N HN 0.232 nan 8.380 nan 0.000 0.486 118 G N 0.145 109.232 108.800 0.479 0.000 2.157 118 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.248 118 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.248 118 G C 0.757 175.739 174.900 0.136 0.000 0.979 118 G CA 0.359 45.666 45.100 0.346 0.000 0.650 118 G HN 0.561 nan 8.290 nan 0.000 0.529 119 K N -0.304 120.186 120.400 0.150 0.000 2.057 119 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 119 K C 2.538 179.179 176.600 0.069 0.000 1.049 119 K CA 1.715 58.058 56.287 0.094 0.000 0.931 119 K CB -0.338 32.228 32.500 0.111 0.000 0.714 119 K HN 0.345 nan 8.250 nan 0.000 0.440 120 T N 0.880 115.482 114.554 0.081 0.000 2.701 120 T HA -0.121 4.229 4.350 -0.000 0.000 0.263 120 T C 2.038 176.744 174.700 0.010 0.000 1.040 120 T CA 1.802 63.917 62.100 0.025 0.000 1.147 120 T CB -0.388 68.468 68.868 -0.019 0.000 0.865 120 T HN 0.250 nan 8.240 nan 0.000 0.426 121 T N 1.858 116.425 114.554 0.022 0.000 2.746 121 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 121 T C 2.274 176.951 174.700 -0.038 0.000 1.039 121 T CA 1.694 63.781 62.100 -0.021 0.000 1.142 121 T CB -0.682 68.157 68.868 -0.048 0.000 0.866 121 T HN 0.410 nan 8.240 nan 0.000 0.444 122 T N 2.013 116.546 114.554 -0.034 0.000 2.746 122 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 122 T C 2.472 177.186 174.700 0.023 0.000 1.039 122 T CA 1.828 63.916 62.100 -0.019 0.000 1.142 122 T CB -0.717 68.139 68.868 -0.020 0.000 0.866 122 T HN 0.693 nan 8.240 nan 0.000 0.444 123 T N 0.889 115.463 114.554 0.033 0.000 2.821 123 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 123 T C 1.967 176.703 174.700 0.061 0.000 1.046 123 T CA 0.668 62.804 62.100 0.059 0.000 1.139 123 T CB -0.276 68.621 68.868 0.048 0.000 0.871 123 T HN 0.192 nan 8.240 nan 0.000 0.454 124 Q N 1.049 120.861 119.800 0.021 0.000 2.079 124 Q HA 0.118 4.458 4.340 -0.000 0.000 0.200 124 Q C 2.557 178.554 176.000 -0.004 0.000 0.974 124 Q CA 0.968 56.773 55.803 0.003 0.000 0.840 124 Q CB -0.542 28.180 28.738 -0.027 0.000 0.898 124 Q HN 0.540 nan 8.270 nan 0.000 0.430 125 L N 0.197 121.415 121.223 -0.009 0.000 2.046 125 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 125 L C 2.464 179.379 176.870 0.074 0.000 1.077 125 L CA 0.797 55.629 54.840 -0.013 0.000 0.747 125 L CB -0.495 41.554 42.059 -0.017 0.000 0.896 125 L HN 0.184 nan 8.230 nan 0.000 0.432 126 L N -0.426 120.855 121.223 0.096 0.000 2.046 126 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 126 L C 2.867 179.731 176.870 -0.011 0.000 1.077 126 L CA 1.270 56.168 54.840 0.096 0.000 0.747 126 L CB -0.653 41.540 42.059 0.223 0.000 0.896 126 L HN 0.240 nan 8.230 nan 0.000 0.432 127 A N -0.672 122.203 122.820 0.092 0.000 1.873 127 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 127 A C 2.210 179.759 177.584 -0.058 0.000 1.186 127 A CA 1.448 53.518 52.037 0.056 0.000 0.616 127 A CB -0.454 18.616 19.000 0.117 0.000 0.823 127 A HN 0.451 nan 8.150 nan 0.000 0.442 128 Q N -1.685 118.093 119.800 -0.036 0.000 1.993 128 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 128 Q C 2.100 178.077 176.000 -0.038 0.000 0.984 128 Q CA 1.563 57.330 55.803 -0.059 0.000 0.837 128 Q CB -0.283 28.395 28.738 -0.101 0.000 0.902 128 Q HN 0.844 nan 8.270 nan 0.000 0.423 129 W N 1.490 122.658 121.300 -0.219 0.000 2.317 129 W HA -0.225 4.435 4.660 -0.000 0.000 0.318 129 W C 2.755 179.062 176.519 -0.352 0.000 1.227 129 W CA 2.107 59.296 57.345 -0.260 0.000 1.269 129 W CB -1.039 28.250 29.460 -0.284 0.000 1.155 129 W HN 0.268 nan 8.180 nan 0.000 0.484 130 S N -0.198 115.307 115.700 -0.324 0.000 2.387 130 S HA -0.344 4.126 4.470 -0.000 0.000 0.230 130 S C 1.810 176.247 174.600 -0.273 0.000 1.035 130 S CA 1.829 59.657 58.200 -0.619 0.000 1.014 130 S CB -1.009 61.359 63.200 -1.386 0.000 0.836 130 S HN 0.519 nan 8.310 nan 0.000 0.466 131 Q N 0.955 120.649 119.800 -0.177 0.000 2.084 131 Q HA 0.047 4.387 4.340 -0.000 0.000 0.202 131 Q C 2.083 178.069 176.000 -0.023 0.000 0.978 131 Q CA 1.362 57.124 55.803 -0.069 0.000 0.844 131 Q CB -0.356 28.354 28.738 -0.045 0.000 0.898 131 Q HN 0.669 nan 8.270 nan 0.000 0.426 132 L N 0.259 121.480 121.223 -0.004 0.000 2.362 132 L HA -0.087 4.253 4.340 -0.000 0.000 0.219 132 L C 1.246 178.146 176.870 0.051 0.000 1.134 132 L CA 0.176 55.035 54.840 0.032 0.000 0.807 132 L CB -0.027 42.071 42.059 0.064 0.000 0.927 132 L HN 0.318 nan 8.230 nan 0.000 0.447 133 L N -0.166 121.079 121.223 0.036 0.000 2.791 133 L HA 0.268 4.608 4.340 -0.000 0.000 0.239 133 L C 1.276 178.194 176.870 0.080 0.000 1.203 133 L CA 0.783 55.664 54.840 0.068 0.000 1.002 133 L CB -0.561 41.550 42.059 0.087 0.000 1.295 133 L HN 0.451 nan 8.230 nan 0.000 0.504 134 G N -0.286 108.542 108.800 0.046 0.000 2.157 134 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.239 134 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.239 134 G C 0.282 175.212 174.900 0.049 0.000 0.982 134 G CA -0.237 44.888 45.100 0.043 0.000 0.650 134 G HN 0.346 nan 8.290 nan 0.000 0.527 135 E N -0.420 119.807 120.200 0.045 0.000 2.232 135 E HA 0.637 4.987 4.350 -0.000 0.000 0.265 135 E C 0.228 176.854 176.600 0.043 0.000 1.001 135 E CA -0.719 55.717 56.400 0.061 0.000 0.870 135 E CB 1.450 31.185 29.700 0.058 0.000 1.175 135 E HN 0.299 nan 8.360 nan 0.000 0.407 136 I N 1.686 122.299 120.570 0.071 0.000 2.371 136 I HA 0.135 4.305 4.170 -0.000 0.000 0.282 136 I C -0.157 176.018 176.117 0.097 0.000 1.031 136 I CA -0.211 61.124 61.300 0.059 0.000 1.180 136 I CB 0.989 39.020 38.000 0.051 0.000 1.336 136 I HN 0.109 nan 8.210 nan 0.000 0.467 137 S N 4.347 120.098 115.700 0.086 0.000 2.654 137 S HA 0.867 5.337 4.470 -0.000 0.000 0.283 137 S C -0.071 174.600 174.600 0.119 0.000 1.180 137 S CA -0.618 57.674 58.200 0.153 0.000 1.021 137 S CB 2.107 65.375 63.200 0.113 0.000 1.018 137 S HN 0.710 nan 8.310 nan 0.000 0.532 138 A N 0.864 123.776 122.820 0.155 0.000 2.527 138 A HA 0.908 5.228 4.320 -0.000 0.000 0.293 138 A C -0.612 177.025 177.584 0.089 0.000 1.117 138 A CA -0.783 51.304 52.037 0.084 0.000 0.723 138 A CB 1.041 20.069 19.000 0.046 0.000 1.313 138 A HN 1.110 nan 8.150 nan 0.000 0.411 142 T N 0.645 115.168 114.554 -0.051 0.000 2.759 142 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 142 T C 2.433 176.996 174.700 -0.228 0.000 1.042 142 T CA 2.380 64.430 62.100 -0.084 0.000 1.140 142 T CB -0.400 68.417 68.868 -0.086 0.000 0.864 142 T HN 1.282 nan 8.240 nan 0.000 0.455 143 V N -1.260 118.462 119.914 -0.321 0.000 3.573 143 V HA 0.595 4.715 4.120 -0.000 0.000 0.270 143 V C 0.895 176.907 176.094 -0.138 0.000 1.221 143 V CA 0.192 62.282 62.300 -0.350 0.000 1.163 143 V CB -1.255 30.378 31.823 -0.317 0.000 0.847 143 V HN 0.640 nan 8.190 nan 0.000 0.468 144 G N 0.157 108.905 108.800 -0.086 0.000 2.355 144 G HA2 0.031 3.991 3.960 -0.000 0.000 0.619 144 G HA3 0.031 3.991 3.960 -0.000 0.000 0.619 144 G C -1.542 173.336 174.900 -0.037 0.000 1.337 144 G CA -0.491 44.581 45.100 -0.045 0.000 0.993 144 G HN 0.412 nan 8.290 nan 0.000 0.599 145 N N 0.004 118.686 118.700 -0.031 0.000 2.269 145 N HA 0.881 5.621 4.740 -0.000 0.000 0.304 145 N C 0.407 175.899 175.510 -0.031 0.000 1.072 145 N CA 0.604 53.636 53.050 -0.030 0.000 0.802 145 N CB 1.875 40.340 38.487 -0.037 0.000 1.348 145 N HN 2.082 nan 8.380 nan 0.000 0.484 146 G N -0.224 108.561 108.800 -0.025 0.000 2.369 146 G HA2 0.077 4.037 3.960 -0.000 0.000 0.307 146 G HA3 0.077 4.037 3.960 -0.000 0.000 0.307 146 G C -1.432 173.464 174.900 -0.007 0.000 1.327 146 G CA -1.034 44.053 45.100 -0.022 0.000 0.963 146 G HN 0.383 nan 8.290 nan 0.000 0.590 147 L N 0.400 121.620 121.223 -0.004 0.000 2.467 147 L HA 0.332 4.672 4.340 -0.000 0.000 0.270 147 L C 1.173 178.046 176.870 0.006 0.000 1.205 147 L CA -0.547 54.298 54.840 0.009 0.000 0.828 147 L CB 0.396 42.459 42.059 0.007 0.000 1.101 147 L HN 0.471 nan 8.230 nan 0.000 0.479 148 L N 2.323 123.554 121.223 0.013 0.000 2.578 148 L HA -0.010 4.330 4.340 -0.000 0.000 0.279 148 L C 1.305 178.172 176.870 -0.005 0.000 1.227 148 L CA 1.087 55.928 54.840 0.003 0.000 0.900 148 L CB 0.121 42.181 42.059 0.001 0.000 1.144 148 L HN 1.003 nan 8.230 nan 0.000 0.496 149 G N 2.690 111.484 108.800 -0.010 0.000 2.179 149 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 149 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 149 G C 0.538 175.433 174.900 -0.009 0.000 0.977 149 G CA 0.350 45.444 45.100 -0.010 0.000 0.641 149 G HN 0.652 nan 8.290 nan 0.000 0.533 150 K N 0.250 120.646 120.400 -0.008 0.000 3.165 150 K HA 0.440 4.760 4.320 -0.000 0.000 0.206 150 K C 0.333 176.925 176.600 -0.012 0.000 1.123 150 K CA 0.100 56.382 56.287 -0.009 0.000 0.978 150 K CB 1.705 34.200 32.500 -0.008 0.000 0.749 150 K HN 0.630 nan 8.250 nan 0.000 0.454 151 V N -1.259 118.647 119.914 -0.013 0.000 2.649 151 V HA 0.475 4.595 4.120 -0.000 0.000 0.292 151 V C 0.087 176.171 176.094 -0.016 0.000 1.055 151 V CA -0.587 61.703 62.300 -0.017 0.000 1.023 151 V CB 0.785 32.595 31.823 -0.021 0.000 0.992 151 V HN 0.189 nan 8.190 nan 0.000 0.480 152 I N 6.538 127.096 120.570 -0.020 0.000 2.339 152 I HA 0.408 4.578 4.170 -0.000 0.000 0.290 152 I C -2.031 174.076 176.117 -0.017 0.000 0.994 152 I CA -2.187 59.102 61.300 -0.018 0.000 1.191 152 I CB 2.046 40.032 38.000 -0.025 0.000 1.343 152 I HN 0.547 nan 8.210 nan 0.000 0.458 153 P HA -0.001 nan 4.420 nan 0.000 0.265 153 P C -0.414 176.882 177.300 -0.007 0.000 1.187 153 P CA 0.149 63.250 63.100 0.003 0.000 0.766 153 P CB 0.422 32.135 31.700 0.021 0.000 0.820 154 T N -1.676 112.877 114.554 -0.002 0.000 2.924 154 T HA 0.336 4.686 4.350 -0.000 0.000 0.291 154 T C 0.794 175.488 174.700 -0.009 0.000 1.045 154 T CA -0.720 61.373 62.100 -0.011 0.000 1.015 154 T CB 1.856 70.717 68.868 -0.011 0.000 1.103 154 T HN 0.223 nan 8.240 nan 0.000 0.496 155 E N 0.804 120.986 120.200 -0.030 0.000 2.250 155 E HA 0.131 4.481 4.350 -0.000 0.000 0.192 155 E C 0.245 176.833 176.600 -0.021 0.000 0.986 155 E CA 0.508 56.878 56.400 -0.050 0.000 0.849 155 E CB 0.181 29.839 29.700 -0.069 0.000 0.797 155 E HN 0.552 nan 8.360 nan 0.000 0.482 156 N N -0.248 118.444 118.700 -0.013 0.000 2.362 156 N HA 0.172 4.912 4.740 -0.000 0.000 0.299 156 N C 0.553 176.068 175.510 0.007 0.000 1.170 156 N CA -0.174 52.868 53.050 -0.013 0.000 0.825 156 N CB 1.930 40.400 38.487 -0.027 0.000 1.299 156 N HN -0.223 nan 8.380 nan 0.000 0.502 157 T N 0.066 114.627 114.554 0.011 0.000 2.770 157 T HA 0.002 4.352 4.350 -0.000 0.000 0.263 157 T C 0.414 175.130 174.700 0.026 0.000 1.039 157 T CA 1.202 63.321 62.100 0.032 0.000 1.142 157 T CB 0.074 68.977 68.868 0.059 0.000 0.868 157 T HN 0.442 nan 8.240 nan 0.000 0.435 158 T N 1.571 116.136 114.554 0.020 0.000 2.809 158 T HA 0.584 4.934 4.350 -0.000 0.000 0.284 158 T C 0.391 175.106 174.700 0.025 0.000 0.992 158 T CA -0.762 61.357 62.100 0.032 0.000 0.957 158 T CB 1.669 70.567 68.868 0.050 0.000 0.942 158 T HN 0.278 nan 8.240 nan 0.000 0.439 159 G N 2.061 110.876 108.800 0.025 0.000 2.651 159 G HA2 0.429 4.389 3.960 -0.000 0.000 0.260 159 G HA3 0.429 4.389 3.960 -0.000 0.000 0.260 159 G C 0.474 175.398 174.900 0.039 0.000 1.216 159 G CA -0.597 44.517 45.100 0.022 0.000 0.913 159 G HN 0.847 nan 8.290 nan 0.000 0.535 160 S N -0.782 114.941 115.700 0.040 0.000 2.576 160 S HA 0.348 4.818 4.470 -0.000 0.000 0.272 160 S C 1.792 176.428 174.600 0.061 0.000 1.352 160 S CA 0.322 58.555 58.200 0.054 0.000 1.021 160 S CB 1.171 64.400 63.200 0.049 0.000 0.887 160 S HN 1.403 nan 8.310 nan 0.000 0.542 161 A N 1.742 124.606 122.820 0.073 0.000 1.948 161 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 161 A C 2.094 179.718 177.584 0.066 0.000 1.177 161 A CA 1.915 53.998 52.037 0.077 0.000 0.636 161 A CB -1.227 17.820 19.000 0.079 0.000 0.815 161 A HN 0.844 nan 8.150 nan 0.000 0.449 162 V N -0.118 119.829 119.914 0.055 0.000 2.407 162 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 162 V C 2.092 178.232 176.094 0.077 0.000 1.041 162 V CA 2.010 64.351 62.300 0.068 0.000 1.040 162 V CB -0.781 31.058 31.823 0.028 0.000 0.671 162 V HN 0.436 nan 8.190 nan 0.000 0.455 163 D N 0.243 120.679 120.400 0.061 0.000 2.144 163 D HA -0.131 4.508 4.640 -0.000 0.000 0.199 163 D C 2.119 178.425 176.300 0.011 0.000 0.984 163 D CA 1.078 55.112 54.000 0.057 0.000 0.834 163 D CB -0.234 40.591 40.800 0.041 0.000 0.955 163 D HN 0.251 nan 8.370 nan 0.000 0.465 164 V N 0.822 120.746 119.914 0.015 0.000 2.261 164 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 164 V C 2.472 178.546 176.094 -0.033 0.000 1.047 164 V CA 1.461 63.759 62.300 -0.004 0.000 1.015 164 V CB -0.414 31.424 31.823 0.024 0.000 0.642 164 V HN 0.231 nan 8.190 nan 0.000 0.446 165 Q N -0.602 119.196 119.800 -0.003 0.000 2.084 165 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 165 Q C 2.225 178.102 176.000 -0.204 0.000 0.978 165 Q CA 2.049 57.849 55.803 -0.005 0.000 0.844 165 Q CB -0.597 28.233 28.738 0.154 0.000 0.898 165 Q HN 0.816 nan 8.270 nan 0.000 0.426 166 H N 0.393 119.147 119.070 -0.525 0.000 2.387 166 H HA -0.111 4.444 4.556 -0.000 0.000 0.299 166 H C 2.008 177.070 175.328 -0.443 0.000 1.090 166 H CA 1.344 56.824 56.048 -0.946 0.000 1.332 166 H CB 0.366 29.774 29.762 -0.590 0.000 1.386 166 H HN 0.328 nan 8.280 nan 0.000 0.516 167 E N 0.401 120.418 120.200 -0.304 0.000 2.152 167 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 167 E C 2.366 178.858 176.600 -0.180 0.000 0.983 167 E CA 0.386 56.621 56.400 -0.274 0.000 0.818 167 E CB 0.166 29.765 29.700 -0.167 0.000 0.758 167 E HN 0.514 nan 8.360 nan 0.000 0.467 168 L N 0.286 121.427 121.223 -0.137 0.000 2.072 168 L HA -0.076 4.264 4.340 -0.000 0.000 0.205 168 L C 2.650 179.478 176.870 -0.070 0.000 1.079 168 L CA 0.923 55.710 54.840 -0.088 0.000 0.752 168 L CB -0.398 41.618 42.059 -0.071 0.000 0.906 168 L HN 0.188 nan 8.230 nan 0.000 0.436 169 A N 0.346 123.118 122.820 -0.080 0.000 1.933 169 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 169 A C 2.379 179.952 177.584 -0.018 0.000 1.175 169 A CA 1.752 53.788 52.037 -0.002 0.000 0.628 169 A CB -1.192 17.846 19.000 0.064 0.000 0.814 169 A HN 0.442 nan 8.150 nan 0.000 0.444 170 G N -0.176 108.565 108.800 -0.100 0.000 2.402 170 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.216 170 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.216 170 G C 1.545 176.410 174.900 -0.059 0.000 1.162 170 G CA 1.004 46.047 45.100 -0.094 0.000 0.777 170 G HN 0.437 nan 8.290 nan 0.000 0.539 171 L N 0.245 121.429 121.223 -0.065 0.000 2.046 171 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 171 L C 2.973 179.836 176.870 -0.013 0.000 1.077 171 L CA 0.380 55.199 54.840 -0.036 0.000 0.747 171 L CB -0.553 41.484 42.059 -0.036 0.000 0.896 171 L HN 0.073 nan 8.230 nan 0.000 0.432 172 V N -0.115 119.793 119.914 -0.010 0.000 2.343 172 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 172 V C 2.111 178.211 176.094 0.010 0.000 1.051 172 V CA 1.915 64.219 62.300 0.005 0.000 1.036 172 V CB -0.517 31.313 31.823 0.012 0.000 0.654 172 V HN 0.457 nan 8.190 nan 0.000 0.451 173 D N -0.356 120.049 120.400 0.010 0.000 2.178 173 D HA -0.170 4.470 4.640 -0.000 0.000 0.201 173 D C 2.161 178.465 176.300 0.008 0.000 0.980 173 D CA 1.052 55.059 54.000 0.013 0.000 0.842 173 D CB -0.178 40.634 40.800 0.021 0.000 0.948 173 D HN 0.542 nan 8.370 nan 0.000 0.472 174 Q N -0.587 119.215 119.800 0.002 0.000 2.482 174 Q HA 0.179 4.519 4.340 -0.000 0.000 0.209 174 Q C 1.052 177.057 176.000 0.008 0.000 0.961 174 Q CA 0.521 56.326 55.803 0.003 0.000 0.945 174 Q CB 0.594 29.330 28.738 -0.004 0.000 1.012 174 Q HN 0.326 nan 8.270 nan 0.000 0.515 175 G N 0.233 109.040 108.800 0.012 0.000 2.176 175 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.232 175 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.232 175 G C 0.223 175.140 174.900 0.029 0.000 0.986 175 G CA -0.179 44.932 45.100 0.018 0.000 0.643 175 G HN 0.506 nan 8.290 nan 0.000 0.522 176 A N 0.452 123.290 122.820 0.029 0.000 2.511 176 A HA 0.630 4.950 4.320 -0.000 0.000 0.242 176 A C 1.458 179.079 177.584 0.061 0.000 1.069 176 A CA 1.739 53.805 52.037 0.048 0.000 0.763 176 A CB 0.286 19.309 19.000 0.038 0.000 1.001 176 A HN 1.565 nan 8.150 nan 0.000 0.498 177 T N -0.973 113.643 114.554 0.103 0.000 3.004 177 T HA 0.409 4.759 4.350 -0.000 0.000 0.266 177 T C -0.241 174.577 174.700 0.196 0.000 0.986 177 T CA 0.084 62.254 62.100 0.118 0.000 0.902 177 T CB -0.194 68.743 68.868 0.116 0.000 1.118 177 T HN 0.662 nan 8.240 nan 0.000 0.522 178 F N 0.972 120.943 119.950 0.034 0.000 2.608 178 F HA 0.671 5.198 4.527 -0.000 0.000 0.309 178 F C -1.790 174.024 175.800 0.025 0.000 1.103 178 F CA -1.570 56.454 58.000 0.041 0.000 0.954 178 F CB 1.923 40.954 39.000 0.053 0.000 1.267 178 F HN 0.170 nan 8.300 nan 0.000 0.444 179 C N 5.473 124.525 119.300 -0.414 0.000 2.642 179 C HA 0.930 5.390 4.460 -0.000 0.000 0.344 179 C C -0.614 174.192 174.990 -0.308 0.000 1.110 179 C CA 0.171 59.085 59.018 -0.173 0.000 1.298 179 C CB 0.003 27.681 27.740 -0.102 0.000 1.827 179 C HN 1.211 nan 8.230 nan 0.000 0.467 183 V N 2.577 122.507 119.914 0.026 0.000 2.326 183 V HA 0.281 4.401 4.120 -0.000 0.000 0.281 183 V C 0.233 176.355 176.094 0.047 0.000 1.015 183 V CA -0.571 61.736 62.300 0.011 0.000 0.823 183 V CB 1.122 32.883 31.823 -0.103 0.000 1.009 183 V HN 0.717 nan 8.190 nan 0.000 0.436 184 S N 3.082 118.829 115.700 0.079 0.000 2.617 184 S HA 0.221 4.691 4.470 -0.000 0.000 0.269 184 S C 1.497 176.193 174.600 0.160 0.000 1.292 184 S CA 0.091 58.368 58.200 0.128 0.000 1.010 184 S CB 1.515 64.781 63.200 0.111 0.000 0.944 184 S HN 0.929 nan 8.310 nan 0.000 0.536 185 S N 0.893 116.737 115.700 0.240 0.000 2.382 185 S HA -0.211 4.259 4.470 -0.000 0.000 0.228 185 S C 1.441 176.206 174.600 0.275 0.000 1.027 185 S CA 1.457 59.835 58.200 0.297 0.000 0.991 185 S CB -1.128 62.371 63.200 0.498 0.000 0.823 185 S HN 0.876 nan 8.310 nan 0.000 0.469 186 H N 1.948 121.059 119.070 0.069 0.000 2.321 186 H HA 0.140 4.696 4.556 -0.000 0.000 0.300 186 H C 2.605 177.945 175.328 0.020 0.000 1.087 186 H CA 1.483 57.474 56.048 -0.095 0.000 1.319 186 H CB -1.084 28.447 29.762 -0.385 0.000 1.379 186 H HN 0.514 nan 8.280 nan 0.000 0.501 187 G N 0.424 109.318 108.800 0.158 0.000 2.440 187 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 187 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 187 G C 1.678 176.644 174.900 0.110 0.000 1.154 187 G CA 1.025 46.194 45.100 0.116 0.000 0.767 187 G HN 0.278 nan 8.290 nan 0.000 0.552 188 L N 0.008 121.287 121.223 0.094 0.000 2.017 188 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 188 L C 3.014 179.917 176.870 0.056 0.000 1.073 188 L CA 0.589 55.468 54.840 0.066 0.000 0.745 188 L CB -0.563 41.511 42.059 0.024 0.000 0.894 188 L HN 0.091 nan 8.230 nan 0.000 0.432 189 V N -0.579 119.393 119.914 0.097 0.000 2.407 189 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 189 V C 2.024 178.044 176.094 -0.122 0.000 1.055 189 V CA 1.640 63.967 62.300 0.045 0.000 1.049 189 V CB -0.471 31.495 31.823 0.238 0.000 0.662 189 V HN 0.513 nan 8.190 nan 0.000 0.455 190 Q N -1.283 118.532 119.800 0.025 0.000 2.322 190 Q HA 0.078 4.418 4.340 -0.000 0.000 0.203 190 Q C 0.187 176.282 176.000 0.159 0.000 0.923 190 Q CA -0.026 55.840 55.803 0.105 0.000 0.949 190 Q CB 0.071 28.938 28.738 0.215 0.000 1.039 190 Q HN 0.749 nan 8.270 nan 0.000 0.496 191 H N -1.909 117.256 119.070 0.159 0.000 2.899 191 H HA -0.203 4.353 4.556 -0.000 0.000 0.282 191 H C 0.837 176.250 175.328 0.142 0.000 1.198 191 H CA 0.950 57.085 56.048 0.145 0.000 1.140 191 H CB -1.199 28.610 29.762 0.079 0.000 1.317 191 H HN 0.408 nan 8.280 nan 0.000 0.375 192 R N 0.798 121.429 120.500 0.218 0.000 2.152 192 R HA -0.016 4.324 4.340 -0.000 0.000 0.232 192 R C 1.990 178.394 176.300 0.173 0.000 1.117 192 R CA 1.749 57.950 56.100 0.168 0.000 0.981 192 R CB 0.268 30.645 30.300 0.128 0.000 0.870 192 R HN 0.300 nan 8.270 nan 0.000 0.451 193 V N -4.314 115.740 119.914 0.233 0.000 3.070 193 V HA 0.449 4.569 4.120 -0.000 0.000 0.345 193 V C 1.394 177.717 176.094 0.381 0.000 1.403 193 V CA 0.215 62.670 62.300 0.259 0.000 1.155 193 V CB 0.552 32.563 31.823 0.313 0.000 1.140 193 V HN 0.092 nan 8.190 nan 0.000 0.505 194 A N 1.461 124.483 122.820 0.336 0.000 1.927 194 A HA -0.047 4.273 4.320 -0.000 0.000 0.220 194 A C 2.135 179.810 177.584 0.153 0.000 1.185 194 A CA 2.639 54.798 52.037 0.204 0.000 0.639 194 A CB -0.501 18.580 19.000 0.135 0.000 0.820 194 A HN 1.425 nan 8.150 nan 0.000 0.451 195 A N -1.336 121.569 122.820 0.142 0.000 2.423 195 A HA 0.554 4.874 4.320 -0.000 0.000 0.246 195 A C 0.587 178.201 177.584 0.050 0.000 1.278 195 A CA -0.456 51.650 52.037 0.115 0.000 0.903 195 A CB -0.194 18.854 19.000 0.080 0.000 0.997 195 A HN 0.391 nan 8.150 nan 0.000 0.510 196 L N 0.319 121.547 121.223 0.009 0.000 2.439 196 L HA 0.201 4.541 4.340 -0.000 0.000 0.269 196 L C 0.151 176.846 176.870 -0.291 0.000 1.179 196 L CA 0.021 54.712 54.840 -0.249 0.000 0.828 196 L CB 0.716 42.435 42.059 -0.567 0.000 1.106 196 L HN 0.162 nan 8.230 nan 0.000 0.467 197 K N 3.222 123.415 120.400 -0.345 0.000 2.347 197 K HA 0.378 4.698 4.320 -0.000 0.000 0.262 197 K C -1.129 175.320 176.600 -0.251 0.000 1.052 197 K CA -0.320 55.841 56.287 -0.209 0.000 0.946 197 K CB 0.692 33.089 32.500 -0.172 0.000 1.220 197 K HN 0.189 nan 8.250 nan 0.000 0.450 198 F N 0.845 120.810 119.950 0.026 0.000 2.412 198 F HA 0.160 4.687 4.527 -0.000 0.000 0.348 198 F C 1.439 177.238 175.800 -0.001 0.000 1.102 198 F CA -0.260 57.734 58.000 -0.011 0.000 1.196 198 F CB 1.237 40.221 39.000 -0.026 0.000 1.144 198 F HN 0.576 nan 8.300 nan 0.000 0.541 199 A N 2.678 125.593 122.820 0.157 0.000 1.970 199 A HA 0.551 4.870 4.320 -0.000 0.000 0.216 199 A C 0.800 178.463 177.584 0.132 0.000 1.170 199 A CA 1.111 53.213 52.037 0.108 0.000 0.645 199 A CB -0.259 18.780 19.000 0.065 0.000 0.816 199 A HN 0.807 nan 8.150 nan 0.000 0.447 200 A N -1.647 121.259 122.820 0.143 0.000 2.604 200 A HA 0.642 4.962 4.320 -0.000 0.000 0.295 200 A C -0.802 176.804 177.584 0.037 0.000 1.067 200 A CA -0.246 51.856 52.037 0.108 0.000 0.683 200 A CB 0.833 19.893 19.000 0.101 0.000 1.281 200 A HN 0.284 nan 8.150 nan 0.000 0.407 201 S N 0.346 116.054 115.700 0.014 0.000 2.707 201 S HA 0.579 5.049 4.470 -0.000 0.000 0.303 201 S C -0.702 173.976 174.600 0.129 0.000 1.132 201 S CA -0.454 57.673 58.200 -0.122 0.000 1.046 201 S CB 1.394 64.339 63.200 -0.424 0.000 1.004 201 S HN 0.798 nan 8.310 nan 0.000 0.483 202 V N 4.000 123.976 119.914 0.103 0.000 2.472 202 V HA 0.540 4.660 4.120 -0.000 0.000 0.290 202 V C -0.724 175.557 176.094 0.312 0.000 1.037 202 V CA -0.735 61.689 62.300 0.207 0.000 0.908 202 V CB 1.137 33.023 31.823 0.105 0.000 0.985 202 V HN 0.818 nan 8.190 nan 0.000 0.454 203 F N 4.053 124.144 119.950 0.236 0.000 2.427 203 F HA 0.470 4.997 4.527 -0.000 0.000 0.348 203 F C 1.212 177.079 175.800 0.112 0.000 1.125 203 F CA -0.219 57.920 58.000 0.231 0.000 0.989 203 F CB 2.001 41.209 39.000 0.345 0.000 1.165 203 F HN 0.660 nan 8.300 nan 0.000 0.442 204 T N 1.376 115.618 114.554 -0.520 0.000 2.901 204 T HA 0.246 4.596 4.350 -0.000 0.000 0.252 204 T C -0.001 174.327 174.700 -0.620 0.000 1.035 204 T CA 1.072 62.929 62.100 -0.405 0.000 1.142 204 T CB -0.442 68.320 68.868 -0.176 0.000 0.869 204 T HN 0.719 nan 8.240 nan 0.000 0.442 205 N N -0.754 117.312 118.700 -1.057 0.000 3.836 205 N HA 0.462 5.202 4.740 -0.000 0.000 0.229 205 N C -2.359 172.847 175.510 -0.508 0.000 1.375 205 N CA -1.016 51.612 53.050 -0.702 0.000 0.838 205 N CB 0.784 39.133 38.487 -0.230 0.000 1.447 205 N HN 0.259 nan 8.380 nan 0.000 0.458 206 L N 0.342 121.476 121.223 -0.148 0.000 2.476 206 L HA 0.873 5.213 4.340 -0.000 0.000 0.269 206 L C -1.123 175.756 176.870 0.014 0.000 0.965 206 L CA 0.172 54.989 54.840 -0.038 0.000 0.845 206 L CB 1.660 43.713 42.059 -0.011 0.000 1.259 206 L HN 1.084 nan 8.230 nan 0.000 0.403 207 S N 2.859 118.620 115.700 0.102 0.000 2.720 207 S HA 0.709 5.179 4.470 -0.000 0.000 0.287 207 S C -0.600 174.121 174.600 0.201 0.000 1.168 207 S CA -1.058 57.200 58.200 0.096 0.000 0.832 207 S CB 1.280 64.486 63.200 0.009 0.000 1.166 207 S HN 0.682 nan 8.310 nan 0.000 0.493 208 R N 0.843 121.410 120.500 0.111 0.000 2.502 208 R HA 0.463 4.803 4.340 -0.000 0.000 0.292 208 R C -0.951 175.371 176.300 0.037 0.000 0.998 208 R CA 1.159 57.314 56.100 0.091 0.000 1.056 208 R CB -0.626 29.699 30.300 0.042 0.000 0.939 208 R HN 0.822 nan 8.270 nan 0.000 0.411 209 D N 0.983 121.374 120.400 -0.016 0.000 3.058 209 D HA 0.087 4.727 4.640 -0.000 0.000 0.275 209 D C -1.080 175.073 176.300 -0.245 0.000 1.089 209 D CA -0.130 53.778 54.000 -0.154 0.000 0.722 209 D CB 0.262 40.973 40.800 -0.148 0.000 1.454 209 D HN 0.751 nan 8.370 nan 0.000 0.453 210 H N 1.171 120.188 119.070 -0.088 0.000 3.010 210 H HA -0.163 4.393 4.556 -0.000 0.000 0.272 210 H C 1.134 176.438 175.328 -0.040 0.000 1.151 210 H CA 1.069 57.089 56.048 -0.046 0.000 1.159 210 H CB -1.429 28.295 29.762 -0.064 0.000 1.295 210 H HN 0.388 nan 8.280 nan 0.000 0.344 211 L N 0.977 122.214 121.223 0.024 0.000 2.551 211 L HA -0.089 4.251 4.340 -0.000 0.000 0.228 211 L C 2.212 179.114 176.870 0.054 0.000 1.153 211 L CA 1.383 56.251 54.840 0.046 0.000 0.851 211 L CB -0.220 41.854 42.059 0.026 0.000 0.959 211 L HN 0.324 nan 8.230 nan 0.000 0.451 212 D N -0.795 119.651 120.400 0.077 0.000 2.269 212 D HA -0.253 4.387 4.640 -0.000 0.000 0.208 212 D C 1.837 178.200 176.300 0.106 0.000 0.963 212 D CA 1.013 55.059 54.000 0.078 0.000 0.864 212 D CB -0.043 40.810 40.800 0.088 0.000 0.936 212 D HN 0.383 nan 8.370 nan 0.000 0.505 213 Y N 0.718 121.000 120.300 -0.029 0.000 2.314 213 Y HA 0.051 4.601 4.550 -0.000 0.000 0.294 213 Y C 2.235 178.004 175.900 -0.219 0.000 1.139 213 Y CA 1.030 59.042 58.100 -0.148 0.000 1.162 213 Y CB -0.087 38.204 38.460 -0.281 0.000 1.121 213 Y HN -0.087 nan 8.280 nan 0.000 0.529 214 H N -0.708 118.332 119.070 -0.050 0.000 2.512 214 H HA 0.209 4.765 4.556 -0.000 0.000 0.279 214 H C 1.959 177.219 175.328 -0.113 0.000 0.999 214 H CA 1.100 57.098 56.048 -0.083 0.000 1.283 214 H CB 0.240 30.059 29.762 0.096 0.000 1.421 214 H HN 0.629 nan 8.280 nan 0.000 0.554 215 G N 1.173 109.972 108.800 -0.002 0.000 3.206 215 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 215 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 215 G C -0.037 174.837 174.900 -0.043 0.000 1.350 215 G CA 0.581 45.632 45.100 -0.083 0.000 0.836 215 G HN 0.591 nan 8.290 nan 0.000 0.548 219 H N -0.237 118.898 119.070 0.109 0.000 2.428 219 H HA 0.009 4.565 4.556 -0.000 0.000 0.296 219 H C 1.602 176.972 175.328 0.071 0.000 1.062 219 H CA 1.680 57.795 56.048 0.112 0.000 1.350 219 H CB -0.294 29.550 29.762 0.136 0.000 1.403 219 H HN 0.225 nan 8.280 nan 0.000 0.533 220 Y N 1.782 122.086 120.300 0.005 0.000 2.181 220 Y HA -0.185 4.365 4.550 -0.000 0.000 0.288 220 Y C 2.389 178.237 175.900 -0.087 0.000 1.146 220 Y CA 1.826 59.745 58.100 -0.302 0.000 1.164 220 Y CB -0.332 38.090 38.460 -0.064 0.000 0.982 220 Y HN 0.306 nan 8.280 nan 0.000 0.515 221 E N -0.180 120.035 120.200 0.024 0.000 2.077 221 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 221 E C 2.280 179.016 176.600 0.227 0.000 0.989 221 E CA 1.126 57.565 56.400 0.064 0.000 0.800 221 E CB -0.279 29.469 29.700 0.080 0.000 0.746 221 E HN 0.492 nan 8.360 nan 0.000 0.452 222 A N 1.447 124.360 122.820 0.155 0.000 1.978 222 A HA 0.005 4.325 4.320 -0.000 0.000 0.220 222 A C 1.516 179.214 177.584 0.191 0.000 1.170 222 A CA 1.221 53.361 52.037 0.172 0.000 0.636 222 A CB -0.680 18.356 19.000 0.060 0.000 0.810 222 A HN 0.408 nan 8.150 nan 0.000 0.448 226 L N 1.695 122.825 121.223 -0.155 0.000 2.129 226 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 226 L C 2.400 179.145 176.870 -0.209 0.000 1.087 226 L CA 1.510 56.254 54.840 -0.160 0.000 0.757 226 L CB -0.864 41.217 42.059 0.036 0.000 0.896 226 L HN 0.056 nan 8.230 nan 0.000 0.434 227 L N -1.025 119.962 121.223 -0.395 0.000 2.079 227 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 227 L C 2.129 178.567 176.870 -0.721 0.000 1.081 227 L CA 1.952 56.399 54.840 -0.656 0.000 0.752 227 L CB -0.499 41.078 42.059 -0.803 0.000 0.896 227 L HN 0.147 nan 8.230 nan 0.000 0.433 228 Y N -1.503 118.398 120.300 -0.664 0.000 2.503 228 Y HA 0.058 4.608 4.550 -0.000 0.000 0.278 228 Y C 2.649 178.059 175.900 -0.818 0.000 1.111 228 Y CA 0.738 58.371 58.100 -0.777 0.000 1.270 228 Y CB -0.370 37.412 38.460 -1.129 0.000 1.063 228 Y HN 0.368 nan 8.280 nan 0.000 0.548 229 S N -1.181 114.028 115.700 -0.819 0.000 2.499 229 S HA 0.040 4.510 4.470 -0.000 0.000 0.225 229 S C 1.257 175.688 174.600 -0.283 0.000 1.050 229 S CA 0.456 58.322 58.200 -0.556 0.000 0.928 229 S CB 0.099 62.922 63.200 -0.628 0.000 0.803 229 S HN 0.179 nan 8.310 nan 0.000 0.506 230 E N 0.172 120.243 120.200 -0.216 0.000 2.526 230 E HA 0.357 4.707 4.350 -0.000 0.000 0.208 230 E C -0.724 175.677 176.600 -0.331 0.000 0.997 230 E CA -0.004 56.274 56.400 -0.203 0.000 0.961 230 E CB 0.537 30.134 29.700 -0.171 0.000 1.030 230 E HN 0.652 nan 8.360 nan 0.000 0.483 231 H N -1.724 117.218 119.070 -0.212 0.000 2.771 231 H HA 0.378 4.934 4.556 -0.000 0.000 0.367 231 H C -0.813 174.415 175.328 -0.166 0.000 1.172 231 H CA -0.869 55.102 56.048 -0.129 0.000 1.186 231 H CB 0.762 30.521 29.762 -0.006 0.000 1.790 231 H HN -0.014 nan 8.280 nan 0.000 0.556 232 H N 0.606 119.793 119.070 0.195 0.000 3.092 232 H HA 0.089 4.645 4.556 -0.000 0.000 0.263 232 H C 0.732 176.201 175.328 0.234 0.000 1.611 232 H CA -0.218 55.915 56.048 0.142 0.000 1.457 232 H CB -0.163 29.656 29.762 0.096 0.000 1.731 232 H HN 0.652 nan 8.280 nan 0.000 0.532 233 C N 0.308 119.713 119.300 0.175 0.000 2.481 233 C HA 0.414 4.874 4.460 -0.000 0.000 0.275 233 C C 1.698 176.764 174.990 0.126 0.000 1.419 233 C CA 0.127 59.186 59.018 0.067 0.000 1.773 233 C CB -1.002 26.635 27.740 -0.172 0.000 1.862 233 C HN 0.982 nan 8.230 nan 0.000 0.530 234 G N 0.594 109.487 108.800 0.154 0.000 2.547 234 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.271 234 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.271 234 G C -0.640 174.340 174.900 0.133 0.000 1.209 234 G CA 0.168 45.354 45.100 0.143 0.000 0.959 234 G HN 0.770 nan 8.290 nan 0.000 0.563 235 Q N 0.779 120.659 119.800 0.134 0.000 2.304 235 Q HA 0.515 4.855 4.340 -0.000 0.000 0.260 235 Q C 0.482 176.589 176.000 0.178 0.000 0.965 235 Q CA 0.216 56.106 55.803 0.146 0.000 0.898 235 Q CB 1.264 30.084 28.738 0.138 0.000 1.196 235 Q HN 1.062 nan 8.270 nan 0.000 0.402 236 A N 4.354 127.296 122.820 0.204 0.000 2.289 236 A HA 0.463 4.783 4.320 -0.000 0.000 0.298 236 A C -0.437 177.270 177.584 0.205 0.000 1.208 236 A CA -0.496 51.703 52.037 0.269 0.000 0.845 236 A CB 0.394 19.506 19.000 0.188 0.000 1.125 236 A HN 0.593 nan 8.150 nan 0.000 0.517 237 I N 4.180 124.889 120.570 0.232 0.000 2.411 237 I HA 0.378 4.548 4.170 -0.000 0.000 0.284 237 I C -0.513 175.739 176.117 0.225 0.000 1.012 237 I CA -0.181 61.231 61.300 0.186 0.000 1.119 237 I CB 0.757 38.842 38.000 0.141 0.000 1.261 237 I HN 0.484 nan 8.210 nan 0.000 0.448 238 I N 5.067 125.750 120.570 0.188 0.000 2.465 238 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 238 I C 0.312 176.537 176.117 0.179 0.000 1.014 238 I CA -0.797 60.645 61.300 0.237 0.000 1.093 238 I CB 2.057 40.159 38.000 0.170 0.000 1.267 238 I HN 0.419 nan 8.210 nan 0.000 0.431 239 N N 4.707 123.539 118.700 0.220 0.000 2.416 239 N HA 0.161 4.900 4.740 -0.000 0.000 0.265 239 N C 0.567 176.130 175.510 0.088 0.000 1.195 239 N CA 0.076 53.192 53.050 0.111 0.000 0.943 239 N CB 1.513 40.020 38.487 0.033 0.000 1.115 239 N HN 0.767 nan 8.380 nan 0.000 0.481 240 A N 3.236 126.078 122.820 0.036 0.000 2.235 240 A HA 0.006 4.326 4.320 -0.000 0.000 0.208 240 A C 1.105 178.648 177.584 -0.069 0.000 1.172 240 A CA 0.391 52.420 52.037 -0.013 0.000 0.786 240 A CB 0.075 19.045 19.000 -0.051 0.000 0.804 240 A HN 0.660 nan 8.150 nan 0.000 0.479 241 D N 0.027 120.405 120.400 -0.035 0.000 2.347 241 D HA 0.009 4.649 4.640 -0.000 0.000 0.213 241 D C -0.075 176.107 176.300 -0.196 0.000 0.985 241 D CA 0.451 54.385 54.000 -0.110 0.000 0.879 241 D CB 0.019 40.870 40.800 0.085 0.000 0.919 241 D HN 0.562 nan 8.370 nan 0.000 0.526 242 D N 0.363 120.696 120.400 -0.111 0.000 2.225 242 D HA 0.060 4.700 4.640 -0.000 0.000 0.248 242 D C 1.119 177.338 176.300 -0.135 0.000 1.096 242 D CA -0.255 53.694 54.000 -0.085 0.000 0.863 242 D CB 1.390 42.201 40.800 0.018 0.000 1.156 242 D HN -0.183 nan 8.370 nan 0.000 0.450 243 E N 1.752 121.867 120.200 -0.143 0.000 2.130 243 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 243 E C 1.880 178.366 176.600 -0.189 0.000 0.998 243 E CA 0.878 57.189 56.400 -0.148 0.000 0.806 243 E CB 0.183 29.819 29.700 -0.108 0.000 0.738 243 E HN 0.390 nan 8.360 nan 0.000 0.459 244 V N 0.545 120.311 119.914 -0.247 0.000 2.343 244 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 244 V C 2.357 178.018 176.094 -0.721 0.000 1.051 244 V CA 1.942 63.934 62.300 -0.513 0.000 1.036 244 V CB -0.909 30.547 31.823 -0.611 0.000 0.654 244 V HN 0.403 nan 8.190 nan 0.000 0.451 245 G N -0.195 108.359 108.800 -0.410 0.000 2.442 245 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 245 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 245 G C 1.750 176.577 174.900 -0.122 0.000 1.141 245 G CA 0.723 45.668 45.100 -0.258 0.000 0.763 245 G HN 0.447 nan 8.290 nan 0.000 0.554 246 R N -0.144 120.292 120.500 -0.107 0.000 2.066 246 R HA 0.042 4.382 4.340 -0.000 0.000 0.232 246 R C 2.790 179.086 176.300 -0.006 0.000 1.131 246 R CA 1.067 57.154 56.100 -0.021 0.000 0.955 246 R CB -0.288 29.989 30.300 -0.038 0.000 0.851 246 R HN 0.245 nan 8.270 nan 0.000 0.432 247 R N -0.464 119.993 120.500 -0.071 0.000 2.096 247 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 247 R C 1.888 178.224 176.300 0.060 0.000 1.127 247 R CA 1.260 57.341 56.100 -0.031 0.000 0.968 247 R CB -0.120 30.137 30.300 -0.072 0.000 0.861 247 R HN 0.288 nan 8.270 nan 0.000 0.440 248 W N 0.777 121.926 121.300 -0.250 0.000 2.418 248 W HA -0.005 4.655 4.660 0.000 0.000 0.292 248 W C 1.849 178.287 176.519 -0.133 0.000 1.213 248 W CA 0.425 57.599 57.345 -0.284 0.000 1.283 248 W CB -0.780 28.484 29.460 -0.326 0.000 1.119 248 W HN 0.048 nan 8.180 nan 0.000 0.542 249 L N 0.180 121.494 121.223 0.152 0.000 2.191 249 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 249 L C 2.448 179.395 176.870 0.128 0.000 1.103 249 L CA 1.296 56.219 54.840 0.139 0.000 0.769 249 L CB -0.899 41.258 42.059 0.163 0.000 0.908 249 L HN -0.087 nan 8.230 nan 0.000 0.438 250 A N -0.394 122.479 122.820 0.089 0.000 2.119 250 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 250 A C 2.104 179.709 177.584 0.035 0.000 1.153 250 A CA 1.074 53.142 52.037 0.052 0.000 0.692 250 A CB -0.155 18.858 19.000 0.021 0.000 0.799 250 A HN 0.369 nan 8.150 nan 0.000 0.458 251 K N -0.969 119.451 120.400 0.033 0.000 2.354 251 K HA 0.333 4.653 4.320 -0.000 0.000 0.194 251 K C -0.555 176.104 176.600 0.098 0.000 1.038 251 K CA 0.158 56.469 56.287 0.040 0.000 1.052 251 K CB 0.401 32.884 32.500 -0.027 0.000 0.861 251 K HN 0.340 nan 8.250 nan 0.000 0.535 252 L N 1.743 123.024 121.223 0.097 0.000 2.408 252 L HA 0.271 4.611 4.340 -0.000 0.000 0.257 252 L C -2.207 174.718 176.870 0.092 0.000 1.053 252 L CA -1.686 53.208 54.840 0.090 0.000 0.922 252 L CB 1.382 43.477 42.059 0.061 0.000 1.261 252 L HN -0.193 nan 8.230 nan 0.000 0.458 253 P HA -0.144 nan 4.420 nan 0.000 0.216 253 P C 0.529 177.885 177.300 0.093 0.000 1.150 253 P CA 1.190 64.341 63.100 0.084 0.000 0.837 253 P CB 0.270 32.009 31.700 0.064 0.000 0.786 254 D N -1.182 119.272 120.400 0.089 0.000 2.328 254 D HA 0.170 4.810 4.640 -0.000 0.000 0.221 254 D C 0.787 177.156 176.300 0.115 0.000 1.072 254 D CA 0.113 54.170 54.000 0.094 0.000 0.850 254 D CB 0.004 40.855 40.800 0.084 0.000 0.922 254 D HN 0.123 nan 8.370 nan 0.000 0.516 255 A N 0.457 123.349 122.820 0.119 0.000 2.313 255 A HA 0.386 4.706 4.320 -0.000 0.000 0.261 255 A C 0.264 177.942 177.584 0.157 0.000 1.090 255 A CA -0.322 51.793 52.037 0.130 0.000 0.807 255 A CB 0.881 19.939 19.000 0.097 0.000 1.055 255 A HN -0.008 nan 8.150 nan 0.000 0.492 256 V N 1.093 121.111 119.914 0.174 0.000 2.394 256 V HA 0.540 4.660 4.120 -0.000 0.000 0.282 256 V C 0.643 176.832 176.094 0.158 0.000 1.031 256 V CA -0.162 62.265 62.300 0.211 0.000 0.881 256 V CB 0.877 32.870 31.823 0.282 0.000 0.982 256 V HN 1.078 nan 8.190 nan 0.000 0.451 257 A N 5.208 128.108 122.820 0.133 0.000 2.290 257 A HA 0.799 5.119 4.320 -0.000 0.000 0.310 257 A C -0.574 177.073 177.584 0.105 0.000 1.202 257 A CA -0.423 51.609 52.037 -0.009 0.000 0.837 257 A CB 1.007 19.738 19.000 -0.449 0.000 1.139 257 A HN 0.681 nan 8.150 nan 0.000 0.509 258 V N 1.871 121.833 119.914 0.081 0.000 2.540 258 V HA 0.743 4.863 4.120 -0.000 0.000 0.302 258 V C 0.251 176.406 176.094 0.101 0.000 1.035 258 V CA -0.256 62.115 62.300 0.119 0.000 0.873 258 V CB 1.529 33.406 31.823 0.091 0.000 0.992 258 V HN 1.045 nan 8.190 nan 0.000 0.428 262 D N 0.933 121.283 120.400 -0.085 0.000 2.705 262 D HA -0.211 4.429 4.640 -0.000 0.000 0.240 262 D C 0.071 176.223 176.300 -0.248 0.000 1.137 262 D CA 0.946 54.862 54.000 -0.141 0.000 0.677 262 D CB -0.648 40.061 40.800 -0.150 0.000 1.049 262 D HN 0.469 nan 8.370 nan 0.000 0.427 263 H N -0.407 118.683 119.070 0.034 0.000 2.672 263 H HA 0.191 4.747 4.556 -0.000 0.000 0.277 263 H C 0.837 176.225 175.328 0.099 0.000 1.074 263 H CA -0.243 55.836 56.048 0.051 0.000 1.173 263 H CB 0.464 30.256 29.762 0.050 0.000 1.558 263 H HN 0.284 nan 8.280 nan 0.000 0.539 264 I N 2.206 122.858 120.570 0.136 0.000 2.529 264 I HA -0.025 4.145 4.170 -0.000 0.000 0.284 264 I C 0.840 176.996 176.117 0.065 0.000 1.082 264 I CA 0.070 61.456 61.300 0.143 0.000 1.406 264 I CB 0.589 38.560 38.000 -0.048 0.000 1.405 264 I HN 0.104 nan 8.210 nan 0.000 0.548 265 N N 9.225 128.013 118.700 0.146 0.000 2.626 265 N HA 0.286 5.026 4.740 -0.000 0.000 0.249 265 N C -1.846 173.484 175.510 -0.300 0.000 1.021 265 N CA -2.014 50.906 53.050 -0.217 0.000 0.886 265 N CB 1.865 40.133 38.487 -0.365 0.000 1.149 265 N HN 0.228 nan 8.380 nan 0.000 0.517 266 P HA -0.108 nan 4.420 nan 0.000 0.223 266 P C 0.514 177.750 177.300 -0.105 0.000 1.144 266 P CA 0.955 63.867 63.100 -0.313 0.000 0.783 266 P CB 0.605 32.089 31.700 -0.360 0.000 0.771 267 N N -1.115 117.503 118.700 -0.137 0.000 2.416 267 N HA -0.015 4.725 4.740 -0.000 0.000 0.177 267 N C 1.344 176.796 175.510 -0.096 0.000 1.036 267 N CA 0.708 53.705 53.050 -0.088 0.000 0.901 267 N CB -0.017 38.418 38.487 -0.087 0.000 0.976 267 N HN 0.248 nan 8.380 nan 0.000 0.444 268 C N -1.279 117.907 119.300 -0.191 0.000 3.123 268 C HA 0.223 4.683 4.460 -0.000 0.000 0.399 268 C C 0.520 175.436 174.990 -0.124 0.000 1.320 268 C CA -0.376 58.526 59.018 -0.193 0.000 1.949 268 C CB -0.562 27.006 27.740 -0.286 0.000 2.692 268 C HN 0.317 nan 8.230 nan 0.000 0.623 269 H N 0.235 119.345 119.070 0.067 0.000 2.652 269 H HA 0.362 4.918 4.556 -0.000 0.000 0.298 269 H C 1.392 176.849 175.328 0.215 0.000 1.076 269 H CA 0.180 56.313 56.048 0.142 0.000 1.360 269 H CB 1.001 30.868 29.762 0.176 0.000 1.421 269 H HN 0.302 nan 8.280 nan 0.000 0.464 270 G N 3.617 112.575 108.800 0.263 0.000 2.446 270 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 270 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 270 G C 0.568 175.554 174.900 0.144 0.000 1.168 270 G CA 0.427 45.631 45.100 0.173 0.000 0.771 270 G HN 0.475 nan 8.290 nan 0.000 0.551 271 R N -0.690 119.892 120.500 0.138 0.000 2.686 271 R HA 0.510 4.850 4.340 -0.000 0.000 0.283 271 R C -1.064 175.301 176.300 0.107 0.000 0.978 271 R CA -0.824 55.204 56.100 -0.120 0.000 0.897 271 R CB 2.172 32.367 30.300 -0.176 0.000 1.192 271 R HN 0.499 nan 8.270 nan 0.000 0.457 272 W N 2.278 123.587 121.300 0.015 0.000 3.025 272 W HA 0.645 5.305 4.660 -0.000 0.000 0.343 272 W C -2.149 174.500 176.519 0.216 0.000 1.246 272 W CA -1.000 56.417 57.345 0.120 0.000 1.178 272 W CB 0.993 30.516 29.460 0.104 0.000 1.463 272 W HN 0.488 nan 8.180 nan 0.000 0.578 273 L N 2.597 124.135 121.223 0.525 0.000 2.543 273 L HA 0.543 4.883 4.340 -0.000 0.000 0.265 273 L C -1.220 175.905 176.870 0.425 0.000 0.945 273 L CA -0.422 54.673 54.840 0.426 0.000 0.869 273 L CB 1.870 44.072 42.059 0.238 0.000 1.294 273 L HN 0.567 nan 8.230 nan 0.000 0.405 274 K N 3.951 124.634 120.400 0.472 0.000 2.523 274 K HA 0.852 5.172 4.320 -0.000 0.000 0.257 274 K C -1.313 175.473 176.600 0.310 0.000 0.932 274 K CA -0.781 55.703 56.287 0.328 0.000 0.812 274 K CB 2.137 34.800 32.500 0.272 0.000 1.326 274 K HN 0.500 nan 8.250 nan 0.000 0.433 275 A N 1.420 124.369 122.820 0.216 0.000 2.366 275 A HA 0.305 4.625 4.320 -0.000 0.000 0.272 275 A C 0.870 178.540 177.584 0.143 0.000 1.135 275 A CA -0.059 52.095 52.037 0.195 0.000 0.804 275 A CB 0.210 19.286 19.000 0.125 0.000 1.064 275 A HN 0.898 nan 8.150 nan 0.000 0.499 276 T N -0.220 114.411 114.554 0.129 0.000 3.034 276 T HA 0.273 4.623 4.350 -0.000 0.000 0.248 276 T C 0.349 175.074 174.700 0.043 0.000 1.040 276 T CA 0.565 62.711 62.100 0.077 0.000 1.107 276 T CB 0.011 68.920 68.868 0.068 0.000 0.932 276 T HN 0.680 nan 8.240 nan 0.000 0.474 277 E N 0.361 120.583 120.200 0.036 0.000 2.304 277 E HA 0.603 4.953 4.350 -0.000 0.000 0.277 277 E C -1.968 174.612 176.600 -0.033 0.000 0.898 277 E CA -0.812 55.590 56.400 0.003 0.000 0.764 277 E CB 3.162 32.861 29.700 -0.001 0.000 1.216 277 E HN 0.019 nan 8.360 nan 0.000 0.419 278 V N 2.841 122.702 119.914 -0.088 0.000 2.569 278 V HA 0.362 4.482 4.120 -0.000 0.000 0.301 278 V C -0.619 175.267 176.094 -0.346 0.000 1.044 278 V CA -0.925 61.227 62.300 -0.247 0.000 0.874 278 V CB 1.876 33.509 31.823 -0.317 0.000 1.002 278 V HN 0.584 nan 8.190 nan 0.000 0.424 279 N N 3.439 121.915 118.700 -0.374 0.000 2.407 279 N HA 0.449 5.189 4.740 -0.000 0.000 0.277 279 N C -1.622 173.590 175.510 -0.497 0.000 0.995 279 N CA -0.308 52.578 53.050 -0.274 0.000 0.903 279 N CB 1.582 40.035 38.487 -0.058 0.000 1.218 279 N HN 0.537 nan 8.380 nan 0.000 0.487 280 Y N 2.493 122.688 120.300 -0.175 0.000 2.334 280 Y HA 0.314 4.864 4.550 -0.000 0.000 0.328 280 Y C 0.765 176.530 175.900 -0.224 0.000 1.130 280 Y CA -0.276 57.649 58.100 -0.292 0.000 1.163 280 Y CB 1.077 39.467 38.460 -0.118 0.000 1.207 280 Y HN 0.650 nan 8.280 nan 0.000 0.471 281 H N -2.525 116.655 119.070 0.184 0.000 4.625 281 H HA 0.279 4.835 4.556 -0.000 0.000 0.386 281 H C -1.016 174.387 175.328 0.125 0.000 1.193 281 H CA -1.020 55.111 56.048 0.138 0.000 0.476 281 H CB -0.148 29.664 29.762 0.084 0.000 1.208 281 H HN 0.278 nan 8.280 nan 0.000 0.679 282 D N 2.255 122.887 120.400 0.387 0.000 2.483 282 D HA 0.044 4.684 4.640 -0.000 0.000 0.261 282 D C 0.129 176.508 176.300 0.132 0.000 1.318 282 D CA 1.316 55.430 54.000 0.190 0.000 1.201 282 D CB -0.416 40.464 40.800 0.135 0.000 1.127 282 D HN 0.742 nan 8.370 nan 0.000 0.519 283 S N 0.007 115.729 115.700 0.037 0.000 3.364 283 S HA -0.185 4.285 4.470 -0.000 0.000 0.361 283 S C 0.648 175.289 174.600 0.068 0.000 1.107 283 S CA 0.728 58.938 58.200 0.017 0.000 1.029 283 S CB -1.686 61.492 63.200 -0.036 0.000 0.912 283 S HN 0.651 nan 8.310 nan 0.000 0.513 284 G N -0.668 108.189 108.800 0.095 0.000 2.870 284 G HA2 0.968 4.928 3.960 -0.000 0.000 0.299 284 G HA3 0.968 4.928 3.960 -0.000 0.000 0.299 284 G C -0.886 173.918 174.900 -0.158 0.000 1.324 284 G CA -0.335 44.791 45.100 0.042 0.000 0.808 284 G HN 1.648 nan 8.290 nan 0.000 0.535 285 A N -1.189 121.491 122.820 -0.234 0.000 2.594 285 A HA 0.737 5.057 4.320 -0.000 0.000 0.296 285 A C -0.734 176.701 177.584 -0.248 0.000 1.061 285 A CA -0.421 51.339 52.037 -0.461 0.000 0.689 285 A CB 1.239 19.998 19.000 -0.402 0.000 1.280 285 A HN 0.915 nan 8.150 nan 0.000 0.406 286 T N 2.019 116.444 114.554 -0.215 0.000 2.744 286 T HA 0.589 4.939 4.350 -0.000 0.000 0.291 286 T C -0.303 174.335 174.700 -0.104 0.000 0.957 286 T CA 0.228 62.297 62.100 -0.052 0.000 1.002 286 T CB -0.029 68.873 68.868 0.056 0.000 0.919 286 T HN 0.403 nan 8.240 nan 0.000 0.468 287 I N 3.551 124.103 120.570 -0.030 0.000 2.389 287 I HA 0.430 4.600 4.170 -0.000 0.000 0.288 287 I C 0.329 176.521 176.117 0.126 0.000 0.999 287 I CA -0.799 60.515 61.300 0.024 0.000 1.129 287 I CB 1.590 39.621 38.000 0.051 0.000 1.288 287 I HN 0.290 nan 8.210 nan 0.000 0.444 288 R N 6.248 126.802 120.500 0.091 0.000 2.346 288 R HA 0.680 5.020 4.340 -0.000 0.000 0.311 288 R C -1.126 175.262 176.300 0.147 0.000 0.983 288 R CA -0.531 55.602 56.100 0.055 0.000 0.880 288 R CB 1.545 31.843 30.300 -0.004 0.000 1.100 288 R HN 0.552 nan 8.270 nan 0.000 0.453 289 F N -1.181 118.806 119.950 0.061 0.000 2.629 289 F HA 0.709 5.236 4.527 -0.000 0.000 0.316 289 F C -0.789 175.085 175.800 0.123 0.000 1.081 289 F CA -1.103 56.954 58.000 0.097 0.000 0.954 289 F CB 1.897 40.957 39.000 0.100 0.000 1.337 289 F HN 0.303 nan 8.300 nan 0.000 0.474 290 S N 0.835 116.756 115.700 0.368 0.000 2.548 290 S HA 0.870 5.340 4.470 -0.000 0.000 0.286 290 S C -1.030 173.866 174.600 0.495 0.000 1.098 290 S CA 0.209 58.603 58.200 0.323 0.000 0.930 290 S CB 1.383 64.793 63.200 0.350 0.000 1.070 290 S HN 1.532 nan 8.310 nan 0.000 0.480 291 S N 1.894 117.696 115.700 0.169 0.000 2.672 291 S HA 0.472 4.942 4.470 -0.000 0.000 0.271 291 S C 0.362 174.504 174.600 -0.763 0.000 1.171 291 S CA -0.428 57.612 58.200 -0.266 0.000 0.817 291 S CB 0.758 64.118 63.200 0.267 0.000 1.150 291 S HN 0.530 nan 8.310 nan 0.000 0.478 292 S N -0.012 114.994 115.700 -1.157 0.000 2.481 292 S HA 0.046 4.516 4.470 -0.000 0.000 0.231 292 S C 0.539 174.663 174.600 -0.793 0.000 0.996 292 S CA 0.533 58.041 58.200 -1.154 0.000 0.942 292 S CB -0.416 61.902 63.200 -1.471 0.000 0.768 292 S HN 0.699 nan 8.310 nan 0.000 0.520 293 W N 1.462 122.623 121.300 -0.232 0.000 3.211 293 W HA 0.446 5.106 4.660 -0.000 0.000 0.292 293 W C 1.025 177.511 176.519 -0.054 0.000 1.268 293 W CA 0.323 57.603 57.345 -0.108 0.000 1.702 293 W CB -0.117 29.299 29.460 -0.073 0.000 1.092 293 W HN 0.372 nan 8.180 nan 0.000 0.643 294 G N 0.858 109.727 108.800 0.114 0.000 2.355 294 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.619 294 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.619 294 G C -1.525 173.426 174.900 0.085 0.000 1.337 294 G CA -1.055 44.094 45.100 0.081 0.000 0.993 294 G HN -0.143 nan 8.290 nan 0.000 0.599 295 D N -0.665 119.706 120.400 -0.048 0.000 2.442 295 D HA 0.853 5.493 4.640 -0.000 0.000 0.254 295 D C 0.816 176.827 176.300 -0.482 0.000 1.069 295 D CA 0.815 54.639 54.000 -0.292 0.000 1.017 295 D CB 1.579 42.263 40.800 -0.194 0.000 1.172 295 D HN 1.441 nan 8.370 nan 0.000 0.561 296 G N -0.890 107.369 108.800 -0.902 0.000 2.320 296 G HA2 0.399 4.359 3.960 -0.000 0.000 0.296 296 G HA3 0.399 4.359 3.960 -0.000 0.000 0.296 296 G C -1.794 172.792 174.900 -0.523 0.000 1.306 296 G CA -0.744 44.003 45.100 -0.589 0.000 0.836 296 G HN 0.418 nan 8.290 nan 0.000 0.517 297 E N -0.454 119.673 120.200 -0.123 0.000 2.248 297 E HA 0.612 4.962 4.350 -0.000 0.000 0.267 297 E C -1.108 175.578 176.600 0.143 0.000 0.877 297 E CA -0.847 55.563 56.400 0.016 0.000 0.759 297 E CB 1.521 31.215 29.700 -0.009 0.000 1.182 297 E HN 0.281 nan 8.360 nan 0.000 0.418 298 I N 3.391 124.070 120.570 0.182 0.000 2.436 298 I HA 0.261 4.431 4.170 -0.000 0.000 0.289 298 I C -0.503 175.627 176.117 0.022 0.000 1.010 298 I CA -0.786 60.597 61.300 0.139 0.000 1.098 298 I CB 1.735 39.851 38.000 0.193 0.000 1.266 298 I HN 0.574 nan 8.210 nan 0.000 0.434 299 E N 3.791 123.968 120.200 -0.038 0.000 2.046 299 E HA 0.227 4.577 4.350 -0.000 0.000 0.279 299 E C -0.277 176.163 176.600 -0.267 0.000 0.989 299 E CA -0.120 56.202 56.400 -0.129 0.000 0.798 299 E CB 1.604 31.223 29.700 -0.136 0.000 1.086 299 E HN 0.468 nan 8.360 nan 0.000 0.399 300 S N 2.319 117.868 115.700 -0.253 0.000 2.578 300 S HA 0.277 4.747 4.470 -0.000 0.000 0.283 300 S C 0.084 174.483 174.600 -0.336 0.000 1.195 300 S CA -0.442 57.592 58.200 -0.277 0.000 1.050 300 S CB 0.453 63.550 63.200 -0.172 0.000 1.012 300 S HN 0.517 nan 8.310 nan 0.000 0.511 301 H N 2.599 121.612 119.070 -0.095 0.000 2.487 301 H HA 0.414 4.970 4.556 -0.000 0.000 0.290 301 H C -0.521 174.751 175.328 -0.094 0.000 1.081 301 H CA -0.300 55.702 56.048 -0.076 0.000 1.116 301 H CB 0.203 29.904 29.762 -0.101 0.000 1.560 301 H HN 0.233 nan 8.280 nan 0.000 0.548 305 A N 0.140 122.976 122.820 0.025 0.000 1.930 305 A HA 0.145 4.465 4.320 -0.000 0.000 0.217 305 A C 2.054 179.747 177.584 0.183 0.000 1.175 305 A CA 2.303 54.459 52.037 0.198 0.000 0.627 305 A CB -0.538 18.523 19.000 0.102 0.000 0.815 305 A HN 1.297 nan 8.150 nan 0.000 0.443 306 F N 1.708 121.661 119.950 0.006 0.000 2.126 306 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 306 F C 1.831 177.642 175.800 0.018 0.000 1.096 306 F CA 1.937 59.936 58.000 -0.000 0.000 1.255 306 F CB -0.339 38.648 39.000 -0.021 0.000 0.997 306 F HN 0.219 nan 8.300 nan 0.000 0.479 307 N N 0.142 118.769 118.700 -0.122 0.000 2.459 307 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 307 N C 2.019 177.443 175.510 -0.144 0.000 1.046 307 N CA 1.041 53.954 53.050 -0.229 0.000 0.904 307 N CB -0.142 38.292 38.487 -0.087 0.000 0.964 307 N HN 0.253 nan 8.380 nan 0.000 0.444 308 V N 0.197 120.089 119.914 -0.036 0.000 2.379 308 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 308 V C 2.460 178.526 176.094 -0.048 0.000 1.044 308 V CA 1.561 63.851 62.300 -0.016 0.000 1.036 308 V CB -0.502 31.356 31.823 0.058 0.000 0.664 308 V HN 0.311 nan 8.190 nan 0.000 0.453 309 S N 0.424 116.086 115.700 -0.064 0.000 2.368 309 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 309 S C 1.907 176.426 174.600 -0.135 0.000 1.029 309 S CA 1.699 59.858 58.200 -0.068 0.000 0.988 309 S CB -0.406 62.775 63.200 -0.032 0.000 0.838 309 S HN 0.651 nan 8.310 nan 0.000 0.462 310 N N 1.545 120.086 118.700 -0.265 0.000 2.142 310 N HA -0.042 4.698 4.740 -0.000 0.000 0.186 310 N C 1.805 177.244 175.510 -0.118 0.000 1.023 310 N CA 1.184 54.086 53.050 -0.246 0.000 0.852 310 N CB -0.668 37.587 38.487 -0.386 0.000 0.998 310 N HN 0.464 nan 8.380 nan 0.000 0.424 311 L N 0.836 121.999 121.223 -0.101 0.000 2.093 311 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 311 L C 2.017 178.907 176.870 0.034 0.000 1.085 311 L CA 0.806 55.635 54.840 -0.019 0.000 0.755 311 L CB -0.148 41.871 42.059 -0.066 0.000 0.904 311 L HN 0.076 nan 8.230 nan 0.000 0.435 312 L N -0.558 120.648 121.223 -0.029 0.000 2.083 312 L HA -0.249 4.091 4.340 -0.000 0.000 0.209 312 L C 2.517 179.354 176.870 -0.056 0.000 1.083 312 L CA 1.163 55.968 54.840 -0.058 0.000 0.752 312 L CB -0.480 41.559 42.059 -0.034 0.000 0.899 312 L HN 0.341 nan 8.230 nan 0.000 0.433 313 L N -0.494 120.709 121.223 -0.033 0.000 2.056 313 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 313 L C 2.874 179.724 176.870 -0.032 0.000 1.078 313 L CA 1.122 55.950 54.840 -0.021 0.000 0.749 313 L CB -0.641 41.409 42.059 -0.014 0.000 0.901 313 L HN 0.235 nan 8.230 nan 0.000 0.433 314 A N -0.103 122.714 122.820 -0.006 0.000 1.902 314 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 314 A C 2.185 179.678 177.584 -0.151 0.000 1.181 314 A CA 1.588 53.631 52.037 0.009 0.000 0.623 314 A CB -0.652 18.443 19.000 0.158 0.000 0.818 314 A HN 0.317 nan 8.150 nan 0.000 0.443 315 L N -0.122 120.990 121.223 -0.185 0.000 2.017 315 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 315 L C 2.667 179.244 176.870 -0.488 0.000 1.073 315 L CA 2.325 56.855 54.840 -0.515 0.000 0.745 315 L CB -0.861 40.952 42.059 -0.411 0.000 0.894 315 L HN 0.333 nan 8.230 nan 0.000 0.432 316 A N -1.615 121.009 122.820 -0.326 0.000 1.933 316 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 316 A C 2.238 179.618 177.584 -0.340 0.000 1.175 316 A CA 2.292 54.134 52.037 -0.325 0.000 0.628 316 A CB -1.220 17.727 19.000 -0.089 0.000 0.814 316 A HN 0.548 nan 8.150 nan 0.000 0.444 317 T N 0.559 114.987 114.554 -0.211 0.000 2.708 317 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 317 T C 1.819 176.409 174.700 -0.184 0.000 1.037 317 T CA 1.516 63.540 62.100 -0.126 0.000 1.146 317 T CB -0.403 68.442 68.868 -0.040 0.000 0.865 317 T HN 0.381 nan 8.240 nan 0.000 0.435 318 L N 0.314 121.345 121.223 -0.321 0.000 2.046 318 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 318 L C 2.510 179.213 176.870 -0.279 0.000 1.077 318 L CA 1.026 55.640 54.840 -0.377 0.000 0.747 318 L CB -0.641 40.965 42.059 -0.755 0.000 0.896 318 L HN 0.235 nan 8.230 nan 0.000 0.432 319 L N -0.284 120.598 121.223 -0.568 0.000 2.017 319 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 319 L C 2.871 179.279 176.870 -0.770 0.000 1.073 319 L CA 1.221 55.542 54.840 -0.864 0.000 0.745 319 L CB -0.707 40.432 42.059 -1.533 0.000 0.894 319 L HN 0.233 nan 8.230 nan 0.000 0.432 320 A N -0.294 122.160 122.820 -0.611 0.000 2.019 320 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 320 A C 2.101 179.694 177.584 0.014 0.000 1.164 320 A CA 1.250 53.218 52.037 -0.116 0.000 0.644 320 A CB -0.596 18.415 19.000 0.017 0.000 0.805 320 A HN 0.413 nan 8.150 nan 0.000 0.449 321 L N -1.403 119.828 121.223 0.013 0.000 2.599 321 L HA 0.172 4.512 4.340 -0.000 0.000 0.230 321 L C 1.644 178.543 176.870 0.048 0.000 1.141 321 L CA 0.558 55.471 54.840 0.122 0.000 0.877 321 L CB -0.177 42.061 42.059 0.298 0.000 1.009 321 L HN 0.604 nan 8.230 nan 0.000 0.447 322 G N -1.441 107.350 108.800 -0.016 0.000 2.176 322 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.232 322 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.232 322 G C -0.026 174.761 174.900 -0.188 0.000 0.986 322 G CA -0.515 44.527 45.100 -0.097 0.000 0.643 322 G HN 0.221 nan 8.290 nan 0.000 0.522 323 Y N 2.206 122.399 120.300 -0.178 0.000 2.425 323 Y HA 0.424 4.974 4.550 -0.000 0.000 0.331 323 Y C -1.253 174.527 175.900 -0.199 0.000 1.157 323 Y CA -1.600 56.385 58.100 -0.191 0.000 1.372 323 Y CB 0.548 38.847 38.460 -0.270 0.000 1.253 323 Y HN 0.032 nan 8.280 nan 0.000 0.536 324 P HA -0.056 nan 4.420 nan 0.000 0.271 324 P C 0.623 177.901 177.300 -0.037 0.000 1.220 324 P CA -0.155 62.930 63.100 -0.024 0.000 0.768 324 P CB 1.324 33.019 31.700 -0.009 0.000 0.848 325 L N 5.126 126.335 121.223 -0.025 0.000 2.013 325 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 325 L C 2.468 179.361 176.870 0.038 0.000 1.073 325 L CA 2.598 57.437 54.840 -0.002 0.000 0.753 325 L CB -1.588 40.522 42.059 0.083 0.000 0.890 325 L HN 0.491 nan 8.230 nan 0.000 0.432 326 A N -0.652 122.195 122.820 0.045 0.000 1.892 326 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 326 A C 1.963 179.581 177.584 0.056 0.000 1.188 326 A CA 2.329 54.397 52.037 0.052 0.000 0.631 326 A CB -1.124 17.899 19.000 0.039 0.000 0.822 326 A HN 0.588 nan 8.150 nan 0.000 0.447 327 D N -0.421 120.003 120.400 0.039 0.000 2.183 327 D HA -0.024 4.616 4.640 -0.000 0.000 0.203 327 D C 1.808 178.154 176.300 0.078 0.000 0.969 327 D CA 0.704 54.735 54.000 0.052 0.000 0.842 327 D CB -0.184 40.640 40.800 0.039 0.000 0.957 327 D HN 0.444 nan 8.370 nan 0.000 0.484 328 L N 0.039 121.272 121.223 0.016 0.000 2.093 328 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 328 L C 2.165 179.223 176.870 0.313 0.000 1.085 328 L CA 0.709 55.549 54.840 -0.000 0.000 0.755 328 L CB -0.263 41.566 42.059 -0.384 0.000 0.904 328 L HN 0.108 nan 8.230 nan 0.000 0.435 329 L N -0.566 120.783 121.223 0.209 0.000 2.093 329 L HA -0.189 4.150 4.340 -0.000 0.000 0.208 329 L C 2.507 179.484 176.870 0.179 0.000 1.085 329 L CA 1.237 56.216 54.840 0.232 0.000 0.755 329 L CB -0.501 41.667 42.059 0.182 0.000 0.904 329 L HN 0.194 nan 8.230 nan 0.000 0.435 330 K N -0.266 120.219 120.400 0.142 0.000 2.148 330 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 330 K C 1.956 178.616 176.600 0.100 0.000 1.050 330 K CA 1.824 58.171 56.287 0.100 0.000 0.942 330 K CB -0.156 32.390 32.500 0.077 0.000 0.724 330 K HN 0.462 nan 8.250 nan 0.000 0.446 331 T N -2.579 112.070 114.554 0.159 0.000 3.022 331 T HA 0.262 4.612 4.350 -0.000 0.000 0.250 331 T C 1.953 176.637 174.700 -0.028 0.000 1.060 331 T CA 0.330 62.494 62.100 0.107 0.000 1.013 331 T CB 0.334 69.309 68.868 0.178 0.000 0.982 331 T HN 0.073 nan 8.240 nan 0.000 0.508 332 A N 2.112 124.947 122.820 0.026 0.000 1.927 332 A HA 0.107 4.427 4.320 -0.000 0.000 0.220 332 A C 2.730 180.142 177.584 -0.287 0.000 1.185 332 A CA 1.999 53.861 52.037 -0.292 0.000 0.639 332 A CB -1.427 17.564 19.000 -0.014 0.000 0.820 332 A HN 0.815 nan 8.150 nan 0.000 0.451 333 A N -0.859 121.897 122.820 -0.106 0.000 2.125 333 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 333 A C 2.110 179.721 177.584 0.044 0.000 1.156 333 A CA 1.346 53.377 52.037 -0.010 0.000 0.671 333 A CB -0.374 18.657 19.000 0.052 0.000 0.794 333 A HN 0.568 nan 8.150 nan 0.000 0.459 334 R N -0.848 119.602 120.500 -0.083 0.000 2.317 334 R HA 0.262 4.602 4.340 -0.000 0.000 0.208 334 R C -0.297 175.900 176.300 -0.172 0.000 0.914 334 R CA -0.295 55.742 56.100 -0.106 0.000 1.060 334 R CB -0.158 30.084 30.300 -0.095 0.000 1.015 334 R HN 0.413 nan 8.270 nan 0.000 0.498 335 L N 2.189 123.253 121.223 -0.264 0.000 2.490 335 L HA -0.024 4.316 4.340 -0.000 0.000 0.274 335 L C 0.443 177.187 176.870 -0.211 0.000 1.201 335 L CA 0.593 55.239 54.840 -0.322 0.000 0.869 335 L CB 0.310 42.059 42.059 -0.517 0.000 1.123 335 L HN 0.027 nan 8.230 nan 0.000 0.484 336 Q N 4.231 123.906 119.800 -0.208 0.000 2.309 336 Q HA 0.487 4.827 4.340 -0.000 0.000 0.264 336 Q C -2.284 173.567 176.000 -0.248 0.000 1.008 336 Q CA -1.842 53.832 55.803 -0.214 0.000 0.853 336 Q CB 2.175 30.799 28.738 -0.189 0.000 1.314 336 Q HN 0.357 nan 8.270 nan 0.000 0.448 337 P HA 0.155 nan 4.420 nan 0.000 0.274 337 P C -0.410 176.691 177.300 -0.331 0.000 1.246 337 P CA -0.327 62.539 63.100 -0.391 0.000 0.795 337 P CB 0.797 32.145 31.700 -0.588 0.000 1.006 338 V N 1.132 120.995 119.914 -0.085 0.000 2.567 338 V HA 0.121 4.241 4.120 -0.000 0.000 0.289 338 V C 1.109 177.363 176.094 0.268 0.000 1.049 338 V CA -0.651 61.679 62.300 0.050 0.000 0.969 338 V CB 1.001 32.833 31.823 0.015 0.000 0.995 338 V HN 0.909 nan 8.190 nan 0.000 0.471 339 C N 4.322 123.752 119.300 0.216 0.000 2.642 339 C HA 0.554 5.014 4.460 -0.000 0.000 0.420 339 C C 1.623 176.676 174.990 0.106 0.000 1.349 339 C CA 0.449 59.551 59.018 0.139 0.000 1.821 339 C CB -0.860 26.927 27.740 0.078 0.000 2.637 339 C HN 1.885 nan 8.230 nan 0.000 0.605 340 G N 4.353 113.196 108.800 0.071 0.000 2.176 340 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.253 340 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.253 340 G C 0.162 175.169 174.900 0.178 0.000 0.979 340 G CA 0.640 45.820 45.100 0.133 0.000 0.641 340 G HN 1.003 nan 8.290 nan 0.000 0.530 344 V N 4.815 124.647 119.914 -0.137 0.000 2.383 344 V HA 0.464 4.584 4.120 -0.000 0.000 0.275 344 V C -0.444 175.509 176.094 -0.235 0.000 1.036 344 V CA -0.253 62.004 62.300 -0.072 0.000 0.889 344 V CB 0.419 32.225 31.823 -0.028 0.000 0.985 344 V HN 0.457 nan 8.190 nan 0.000 0.459 345 F N 2.445 122.382 119.950 -0.022 0.000 2.411 345 F HA 0.613 5.140 4.527 -0.000 0.000 0.352 345 F C 0.625 176.419 175.800 -0.011 0.000 1.123 345 F CA -0.302 57.683 58.000 -0.025 0.000 1.044 345 F CB 1.953 40.932 39.000 -0.036 0.000 1.135 345 F HN 0.354 nan 8.300 nan 0.000 0.461 346 T N 2.877 117.504 114.554 0.122 0.000 2.881 346 T HA 0.826 5.176 4.350 -0.000 0.000 0.290 346 T C -0.983 173.760 174.700 0.072 0.000 1.000 346 T CA -0.764 61.388 62.100 0.086 0.000 0.978 346 T CB 1.621 70.519 68.868 0.050 0.000 0.997 346 T HN 0.706 nan 8.240 nan 0.000 0.443 347 A N 4.289 127.146 122.820 0.063 0.000 2.520 347 A HA 0.883 5.203 4.320 -0.000 0.000 0.298 347 A C -2.925 174.680 177.584 0.035 0.000 1.051 347 A CA -1.794 50.270 52.037 0.045 0.000 0.690 347 A CB 1.156 20.182 19.000 0.043 0.000 1.281 347 A HN 0.558 nan 8.150 nan 0.000 0.402 348 P HA 0.269 nan 4.420 nan 0.000 0.266 348 P C 0.952 178.262 177.300 0.017 0.000 1.195 348 P CA 1.694 64.808 63.100 0.024 0.000 0.768 348 P CB 0.841 32.553 31.700 0.020 0.000 0.838 349 G N 1.674 110.484 108.800 0.017 0.000 2.184 349 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.264 349 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.264 349 G C 0.030 174.932 174.900 0.003 0.000 0.975 349 G CA 0.322 45.428 45.100 0.009 0.000 0.642 349 G HN 0.637 nan 8.290 nan 0.000 0.536 350 K N 0.540 120.944 120.400 0.006 0.000 2.435 350 K HA 0.542 4.862 4.320 -0.000 0.000 0.251 350 K C -2.615 173.985 176.600 0.001 0.000 0.954 350 K CA -2.078 54.205 56.287 -0.008 0.000 0.820 350 K CB 3.018 35.511 32.500 -0.011 0.000 1.292 350 K HN -0.004 nan 8.250 nan 0.000 0.436 351 P HA 0.007 nan 4.420 nan 0.000 0.272 351 P C -0.612 176.701 177.300 0.022 0.000 1.230 351 P CA -0.162 62.931 63.100 -0.013 0.000 0.788 351 P CB 0.450 32.097 31.700 -0.088 0.000 0.949 352 T N 1.063 115.656 114.554 0.065 0.000 2.832 352 T HA 0.278 4.628 4.350 -0.000 0.000 0.296 352 T C 0.095 174.849 174.700 0.089 0.000 0.968 352 T CA -0.107 62.052 62.100 0.098 0.000 1.107 352 T CB 0.207 69.160 68.868 0.142 0.000 0.916 352 T HN 0.106 nan 8.240 nan 0.000 0.517 353 V N 4.281 124.267 119.914 0.120 0.000 2.495 353 V HA 0.464 4.584 4.120 -0.000 0.000 0.298 353 V C -0.234 175.984 176.094 0.207 0.000 1.031 353 V CA -0.782 61.584 62.300 0.111 0.000 0.871 353 V CB 1.957 33.792 31.823 0.021 0.000 0.988 353 V HN 0.668 nan 8.190 nan 0.000 0.432 354 V N 5.404 125.414 119.914 0.160 0.000 2.409 354 V HA 0.448 4.568 4.120 -0.000 0.000 0.291 354 V C -0.194 175.998 176.094 0.163 0.000 1.020 354 V CA -0.621 61.783 62.300 0.173 0.000 0.848 354 V CB 1.886 33.784 31.823 0.124 0.000 0.990 354 V HN 0.604 nan 8.190 nan 0.000 0.430 355 V N 4.310 124.348 119.914 0.206 0.000 2.370 355 V HA 0.521 4.641 4.120 -0.000 0.000 0.279 355 V C -0.431 175.760 176.094 0.161 0.000 1.029 355 V CA -0.140 62.260 62.300 0.166 0.000 0.870 355 V CB 1.643 33.580 31.823 0.190 0.000 0.984 355 V HN 1.007 nan 8.190 nan 0.000 0.451 356 D N 1.883 122.378 120.400 0.159 0.000 2.645 356 D HA 0.321 4.961 4.640 -0.000 0.000 0.228 356 D C -0.010 176.440 176.300 0.250 0.000 1.148 356 D CA -0.540 53.575 54.000 0.191 0.000 0.860 356 D CB 1.661 42.550 40.800 0.147 0.000 1.548 356 D HN 0.374 nan 8.370 nan 0.000 0.460 357 Y N 2.563 122.949 120.300 0.143 0.000 2.516 357 Y HA 0.338 4.888 4.550 -0.000 0.000 0.291 357 Y C 0.835 176.870 175.900 0.225 0.000 1.131 357 Y CA 0.588 58.800 58.100 0.186 0.000 1.281 357 Y CB -0.456 38.154 38.460 0.250 0.000 1.013 357 Y HN 0.502 nan 8.280 nan 0.000 0.554 358 A N 2.004 124.889 122.820 0.109 0.000 2.550 358 A HA -0.158 4.162 4.320 -0.000 0.000 0.273 358 A C 0.579 178.102 177.584 -0.101 0.000 1.017 358 A CA 1.306 53.291 52.037 -0.086 0.000 0.910 358 A CB -1.127 17.812 19.000 -0.102 0.000 0.891 358 A HN 0.707 nan 8.150 nan 0.000 0.507 359 H N 1.640 120.562 119.070 -0.245 0.000 2.767 359 H HA 0.252 4.808 4.556 -0.000 0.000 0.260 359 H C -0.054 175.179 175.328 -0.157 0.000 1.172 359 H CA 0.421 56.345 56.048 -0.207 0.000 1.048 359 H CB -0.694 28.879 29.762 -0.316 0.000 1.697 359 H HN 0.649 nan 8.280 nan 0.000 0.606 360 T N -2.499 111.827 114.554 -0.379 0.000 2.907 360 T HA 0.334 4.684 4.350 -0.000 0.000 0.292 360 T C -2.238 172.348 174.700 -0.190 0.000 1.043 360 T CA -1.989 59.951 62.100 -0.266 0.000 1.003 360 T CB 3.074 71.756 68.868 -0.309 0.000 1.084 360 T HN -0.296 nan 8.240 nan 0.000 0.483 361 P HA -0.158 nan 4.420 nan 0.000 0.216 361 P C 1.288 178.504 177.300 -0.139 0.000 1.157 361 P CA 1.079 64.117 63.100 -0.103 0.000 0.880 361 P CB 0.079 31.746 31.700 -0.055 0.000 0.791 362 D N -0.811 119.501 120.400 -0.148 0.000 2.117 362 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 362 D C 1.805 177.945 176.300 -0.267 0.000 0.987 362 D CA 1.544 55.437 54.000 -0.179 0.000 0.829 362 D CB -0.181 40.530 40.800 -0.149 0.000 0.961 362 D HN 0.002 nan 8.370 nan 0.000 0.460 363 A N 0.797 123.431 122.820 -0.311 0.000 1.902 363 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 363 A C 2.228 179.625 177.584 -0.311 0.000 1.181 363 A CA 1.018 52.818 52.037 -0.396 0.000 0.623 363 A CB -0.737 18.023 19.000 -0.399 0.000 0.818 363 A HN 0.350 nan 8.150 nan 0.000 0.443 364 L N 0.101 121.171 121.223 -0.255 0.000 2.046 364 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 364 L C 2.194 178.911 176.870 -0.255 0.000 1.077 364 L CA 2.321 57.022 54.840 -0.231 0.000 0.747 364 L CB -0.728 41.183 42.059 -0.246 0.000 0.896 364 L HN 0.519 nan 8.230 nan 0.000 0.432 365 E N -0.429 119.598 120.200 -0.288 0.000 2.049 365 E HA -0.284 4.065 4.350 -0.000 0.000 0.198 365 E C 2.144 178.472 176.600 -0.453 0.000 1.007 365 E CA 1.792 57.922 56.400 -0.451 0.000 0.809 365 E CB -0.073 29.367 29.700 -0.433 0.000 0.749 365 E HN 0.520 nan 8.360 nan 0.000 0.450 366 K N 0.020 120.216 120.400 -0.341 0.000 2.147 366 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 366 K C 2.078 178.558 176.600 -0.199 0.000 1.049 366 K CA 0.947 57.074 56.287 -0.267 0.000 0.936 366 K CB -0.059 32.281 32.500 -0.266 0.000 0.722 366 K HN 0.052 nan 8.250 nan 0.000 0.446 367 A N 1.373 124.079 122.820 -0.190 0.000 1.898 367 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 367 A C 2.103 179.633 177.584 -0.091 0.000 1.181 367 A CA 1.085 53.061 52.037 -0.102 0.000 0.620 367 A CB -0.535 18.416 19.000 -0.081 0.000 0.819 367 A HN 0.134 nan 8.150 nan 0.000 0.442 368 L N -0.711 120.432 121.223 -0.133 0.000 2.093 368 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 368 L C 2.869 179.681 176.870 -0.097 0.000 1.085 368 L CA 1.320 56.107 54.840 -0.088 0.000 0.755 368 L CB -0.514 41.498 42.059 -0.078 0.000 0.904 368 L HN 0.490 nan 8.230 nan 0.000 0.435 369 Q N -0.364 119.317 119.800 -0.199 0.000 2.119 369 Q HA -0.172 4.168 4.340 -0.000 0.000 0.201 369 Q C 2.423 178.346 176.000 -0.128 0.000 0.972 369 Q CA 1.551 57.246 55.803 -0.180 0.000 0.847 369 Q CB -0.207 28.373 28.738 -0.264 0.000 0.903 369 Q HN 0.565 nan 8.270 nan 0.000 0.433 370 A N 1.006 123.751 122.820 -0.126 0.000 1.929 370 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 370 A C 2.285 179.844 177.584 -0.042 0.000 1.176 370 A CA 1.284 53.252 52.037 -0.116 0.000 0.628 370 A CB -0.593 18.357 19.000 -0.083 0.000 0.816 370 A HN 0.366 nan 8.150 nan 0.000 0.444 371 A N -0.299 122.516 122.820 -0.009 0.000 1.972 371 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 371 A C 2.212 179.835 177.584 0.065 0.000 1.169 371 A CA 1.628 53.693 52.037 0.046 0.000 0.635 371 A CB -0.429 18.604 19.000 0.055 0.000 0.810 371 A HN 0.517 nan 8.150 nan 0.000 0.446 372 R N -0.431 120.089 120.500 0.035 0.000 2.236 372 R HA 0.122 4.462 4.340 -0.000 0.000 0.208 372 R C 1.598 177.920 176.300 0.036 0.000 1.036 372 R CA 0.432 56.559 56.100 0.044 0.000 1.001 372 R CB -0.312 30.012 30.300 0.039 0.000 0.896 372 R HN 0.536 nan 8.270 nan 0.000 0.464 373 L N -0.516 120.719 121.223 0.020 0.000 2.083 373 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 373 L C 2.094 179.014 176.870 0.085 0.000 1.083 373 L CA 1.126 55.979 54.840 0.022 0.000 0.752 373 L CB -0.347 41.689 42.059 -0.038 0.000 0.899 373 L HN 0.355 nan 8.230 nan 0.000 0.433 374 H N -1.316 117.768 119.070 0.024 0.000 2.487 374 H HA 0.128 4.684 4.556 -0.000 0.000 0.290 374 H C -0.680 174.679 175.328 0.051 0.000 1.081 374 H CA -0.351 55.724 56.048 0.045 0.000 1.116 374 H CB 0.422 30.216 29.762 0.054 0.000 1.560 374 H HN 0.189 nan 8.280 nan 0.000 0.548 375 C N 1.349 120.659 119.300 0.016 0.000 2.251 375 C HA 0.639 5.099 4.460 -0.000 0.000 0.323 375 C C 1.584 176.563 174.990 -0.017 0.000 1.241 375 C CA 0.090 59.119 59.018 0.018 0.000 1.601 375 C CB -0.507 27.280 27.740 0.078 0.000 2.251 375 C HN 0.626 nan 8.230 nan 0.000 0.488 376 A N 4.545 127.337 122.820 -0.046 0.000 1.984 376 A HA 0.404 4.724 4.320 -0.000 0.000 0.214 376 A C 1.352 178.943 177.584 0.013 0.000 1.173 376 A CA 1.153 53.173 52.037 -0.028 0.000 0.673 376 A CB -0.492 18.479 19.000 -0.049 0.000 0.830 376 A HN 0.978 nan 8.150 nan 0.000 0.453 377 G N -0.284 108.540 108.800 0.040 0.000 2.882 377 G HA2 0.429 4.389 3.960 -0.000 0.000 0.164 377 G HA3 0.429 4.389 3.960 -0.000 0.000 0.164 377 G C -0.216 174.737 174.900 0.089 0.000 1.429 377 G CA -0.620 44.522 45.100 0.070 0.000 1.059 377 G HN 0.311 nan 8.290 nan 0.000 0.581 378 K N -0.462 120.022 120.400 0.139 0.000 2.118 378 K HA 0.460 4.780 4.320 -0.000 0.000 0.267 378 K C -1.201 175.530 176.600 0.219 0.000 0.991 378 K CA -0.522 55.838 56.287 0.122 0.000 0.916 378 K CB 1.893 34.433 32.500 0.067 0.000 1.041 378 K HN 0.170 nan 8.250 nan 0.000 0.455 379 L N 3.274 124.575 121.223 0.131 0.000 2.272 379 L HA 0.390 4.730 4.340 -0.000 0.000 0.289 379 L C -1.664 175.316 176.870 0.182 0.000 1.032 379 L CA -0.178 54.778 54.840 0.194 0.000 0.810 379 L CB 0.331 42.458 42.059 0.113 0.000 1.205 379 L HN 0.469 nan 8.230 nan 0.000 0.422 380 W N 4.320 125.651 121.300 0.052 0.000 2.512 380 W HA 0.604 5.264 4.660 -0.000 0.000 0.335 380 W C -0.463 176.097 176.519 0.069 0.000 1.088 380 W CA -0.584 56.798 57.345 0.061 0.000 1.236 380 W CB 1.522 31.018 29.460 0.060 0.000 1.307 380 W HN 0.574 nan 8.180 nan 0.000 0.567 381 C N 3.955 123.437 119.300 0.304 0.000 2.407 381 C HA 0.704 5.164 4.460 -0.000 0.000 0.328 381 C C -0.773 174.432 174.990 0.358 0.000 1.137 381 C CA -0.566 58.599 59.018 0.245 0.000 1.390 381 C CB -0.707 27.099 27.740 0.111 0.000 1.989 381 C HN 0.389 nan 8.230 nan 0.000 0.432 382 V N 8.058 128.162 119.914 0.317 0.000 2.350 382 V HA 0.723 4.843 4.120 -0.000 0.000 0.276 382 V C -0.105 176.198 176.094 0.348 0.000 1.028 382 V CA 0.016 62.487 62.300 0.286 0.000 0.860 382 V CB 0.534 32.461 31.823 0.173 0.000 0.990 382 V HN 0.792 nan 8.190 nan 0.000 0.453 383 F N 2.558 122.533 119.950 0.041 0.000 2.779 383 F HA 1.007 5.534 4.527 -0.000 0.000 0.316 383 F C -0.119 175.684 175.800 0.005 0.000 1.164 383 F CA -0.708 57.305 58.000 0.021 0.000 0.924 383 F CB 1.387 40.400 39.000 0.021 0.000 1.348 383 F HN 0.705 nan 8.300 nan 0.000 0.467 384 G N -0.780 107.933 108.800 -0.145 0.000 2.663 384 G HA2 0.576 4.536 3.960 -0.000 0.000 0.299 384 G HA3 0.576 4.536 3.960 -0.000 0.000 0.299 384 G C -2.320 172.566 174.900 -0.023 0.000 1.372 384 G CA -0.815 44.136 45.100 -0.248 0.000 0.781 384 G HN 0.959 nan 8.290 nan 0.000 0.491 385 C N -0.754 118.519 119.300 -0.045 0.000 2.707 385 C HA 0.845 5.305 4.460 -0.000 0.000 0.313 385 C C 0.912 175.888 174.990 -0.024 0.000 1.209 385 C CA -0.147 58.873 59.018 0.004 0.000 1.635 385 C CB 1.314 29.067 27.740 0.022 0.000 2.206 385 C HN 1.094 nan 8.230 nan 0.000 0.485 386 G N 1.035 109.824 108.800 -0.020 0.000 2.403 386 G HA2 0.493 4.453 3.960 -0.000 0.000 0.259 386 G HA3 0.493 4.453 3.960 -0.000 0.000 0.259 386 G C 0.368 175.257 174.900 -0.018 0.000 1.244 386 G CA 0.117 45.200 45.100 -0.029 0.000 0.849 386 G HN 1.137 nan 8.290 nan 0.000 0.532 387 G N 0.643 109.433 108.800 -0.017 0.000 2.539 387 G HA2 0.403 4.363 3.960 -0.000 0.000 0.258 387 G HA3 0.403 4.363 3.960 -0.000 0.000 0.258 387 G C 0.029 174.930 174.900 0.001 0.000 1.202 387 G CA -0.080 45.014 45.100 -0.009 0.000 0.851 387 G HN 0.686 nan 8.290 nan 0.000 0.556 388 D N -0.921 119.483 120.400 0.007 0.000 2.723 388 D HA -0.134 4.506 4.640 -0.000 0.000 0.236 388 D C 0.706 177.020 176.300 0.024 0.000 1.138 388 D CA 1.326 55.336 54.000 0.017 0.000 0.676 388 D CB -0.638 40.174 40.800 0.020 0.000 1.069 388 D HN 0.601 nan 8.370 nan 0.000 0.430 389 R N -0.744 119.767 120.500 0.019 0.000 2.766 389 R HA 0.240 4.580 4.340 -0.000 0.000 0.270 389 R C -0.831 175.479 176.300 0.016 0.000 1.035 389 R CA -1.007 55.107 56.100 0.023 0.000 0.911 389 R CB 0.812 31.117 30.300 0.009 0.000 1.243 389 R HN -0.125 nan 8.270 nan 0.000 0.460 390 D N 1.932 122.340 120.400 0.013 0.000 3.304 390 D HA -0.112 4.528 4.640 -0.000 0.000 0.241 390 D C 0.321 176.623 176.300 0.004 0.000 1.310 390 D CA 0.943 54.946 54.000 0.006 0.000 0.884 390 D CB 0.561 41.352 40.800 -0.015 0.000 1.167 390 D HN 0.345 nan 8.370 nan 0.000 0.598 391 K N 2.241 122.646 120.400 0.008 0.000 2.217 391 K HA -0.030 4.290 4.320 -0.000 0.000 0.202 391 K C 2.056 178.662 176.600 0.009 0.000 1.051 391 K CA 0.826 57.117 56.287 0.008 0.000 0.952 391 K CB 0.090 32.594 32.500 0.007 0.000 0.736 391 K HN 0.461 nan 8.250 nan 0.000 0.453 392 G N 2.984 111.789 108.800 0.009 0.000 2.432 392 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 392 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 392 G C 1.377 176.284 174.900 0.011 0.000 1.135 392 G CA 0.921 46.028 45.100 0.010 0.000 0.767 392 G HN 0.397 nan 8.290 nan 0.000 0.550 393 K N 0.284 120.688 120.400 0.007 0.000 2.366 393 K HA 0.123 4.443 4.320 -0.000 0.000 0.198 393 K C 2.265 178.880 176.600 0.024 0.000 1.044 393 K CA 0.210 56.501 56.287 0.007 0.000 0.973 393 K CB -0.144 32.349 32.500 -0.011 0.000 0.767 393 K HN 0.177 nan 8.250 nan 0.000 0.475 394 R N 1.088 121.606 120.500 0.030 0.000 2.080 394 R HA -0.079 4.261 4.340 -0.000 0.000 0.236 394 R C -0.641 175.696 176.300 0.061 0.000 1.137 394 R CA 1.674 57.804 56.100 0.050 0.000 0.943 394 R CB -1.331 28.988 30.300 0.030 0.000 0.846 394 R HN 0.280 nan 8.270 nan 0.000 0.431 395 P HA -0.109 nan 4.420 nan 0.000 0.217 395 P C 0.120 177.443 177.300 0.040 0.000 1.150 395 P CA 0.897 64.020 63.100 0.038 0.000 0.832 395 P CB 0.046 31.760 31.700 0.022 0.000 0.787 399 A N 1.200 124.041 122.820 0.035 0.000 1.933 399 A HA 0.174 4.494 4.320 -0.000 0.000 0.218 399 A C 2.268 179.835 177.584 -0.029 0.000 1.175 399 A CA 1.739 53.772 52.037 -0.008 0.000 0.628 399 A CB -0.374 18.621 19.000 -0.007 0.000 0.814 399 A HN 0.316 nan 8.150 nan 0.000 0.444 400 I N -0.070 120.502 120.570 0.004 0.000 2.252 400 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 400 I C 2.939 179.083 176.117 0.046 0.000 1.102 400 I CA 1.400 62.752 61.300 0.086 0.000 1.385 400 I CB -1.640 36.394 38.000 0.057 0.000 1.064 400 I HN 0.360 nan 8.210 nan 0.000 0.414 401 A N 0.436 123.193 122.820 -0.106 0.000 1.877 401 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 401 A C 2.364 179.915 177.584 -0.055 0.000 1.186 401 A CA 1.842 53.794 52.037 -0.142 0.000 0.620 401 A CB -0.771 18.069 19.000 -0.266 0.000 0.822 401 A HN 0.514 nan 8.150 nan 0.000 0.443 402 E N -0.492 119.676 120.200 -0.052 0.000 2.160 402 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 402 E C 1.966 178.456 176.600 -0.183 0.000 0.991 402 E CA 1.474 57.812 56.400 -0.104 0.000 0.810 402 E CB -0.091 29.556 29.700 -0.088 0.000 0.742 402 E HN 0.792 nan 8.360 nan 0.000 0.466 403 E N -1.097 118.959 120.200 -0.240 0.000 2.140 403 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 403 E C 1.191 177.484 176.600 -0.511 0.000 0.973 403 E CA 0.411 56.547 56.400 -0.441 0.000 0.829 403 E CB 0.076 29.373 29.700 -0.671 0.000 0.781 403 E HN 0.257 nan 8.360 nan 0.000 0.466 404 F N 0.497 120.391 119.950 -0.093 0.000 2.749 404 F HA 0.375 4.902 4.527 -0.000 0.000 0.300 404 F C 0.596 176.349 175.800 -0.077 0.000 1.103 404 F CA 0.026 57.976 58.000 -0.083 0.000 1.342 404 F CB 0.756 39.703 39.000 -0.089 0.000 1.098 404 F HN -0.052 nan 8.300 nan 0.000 0.586 405 A N -0.367 122.476 122.820 0.039 0.000 2.380 405 A HA 0.504 4.824 4.320 -0.000 0.000 0.315 405 A C 0.326 177.871 177.584 -0.065 0.000 1.101 405 A CA -0.569 51.472 52.037 0.007 0.000 0.771 405 A CB 0.825 19.832 19.000 0.013 0.000 1.287 405 A HN 0.034 nan 8.150 nan 0.000 0.436 406 D N -0.185 120.162 120.400 -0.087 0.000 2.271 406 D HA 0.120 4.760 4.640 -0.000 0.000 0.206 406 D C 0.037 176.199 176.300 -0.230 0.000 0.967 406 D CA 1.401 55.311 54.000 -0.150 0.000 0.867 406 D CB 0.381 41.097 40.800 -0.141 0.000 0.960 406 D HN 0.195 nan 8.370 nan 0.000 0.509 407 V N 0.725 120.468 119.914 -0.285 0.000 2.569 407 V HA 0.613 4.733 4.120 -0.000 0.000 0.301 407 V C -0.637 175.398 176.094 -0.097 0.000 1.044 407 V CA -1.168 60.923 62.300 -0.348 0.000 0.874 407 V CB 1.855 33.086 31.823 -0.987 0.000 1.002 407 V HN 0.050 nan 8.190 nan 0.000 0.424 408 A N 4.565 127.387 122.820 0.004 0.000 2.258 408 A HA 0.799 5.119 4.320 -0.000 0.000 0.316 408 A C -0.644 177.039 177.584 0.165 0.000 1.279 408 A CA -0.484 51.644 52.037 0.152 0.000 0.876 408 A CB 1.152 20.259 19.000 0.178 0.000 1.170 408 A HN 0.729 nan 8.150 nan 0.000 0.520 409 V N 4.497 124.543 119.914 0.220 0.000 2.294 409 V HA 0.209 4.329 4.120 -0.000 0.000 0.272 409 V C -0.055 176.042 176.094 0.006 0.000 1.027 409 V CA -0.463 61.920 62.300 0.137 0.000 0.823 409 V CB 1.038 32.979 31.823 0.197 0.000 1.030 409 V HN 0.607 nan 8.190 nan 0.000 0.457 410 V N 4.724 124.567 119.914 -0.118 0.000 2.432 410 V HA 0.506 4.626 4.120 -0.000 0.000 0.271 410 V C 0.513 176.463 176.094 -0.241 0.000 1.046 410 V CA 0.413 62.495 62.300 -0.363 0.000 0.945 410 V CB 1.228 32.860 31.823 -0.319 0.000 0.992 410 V HN 0.939 nan 8.190 nan 0.000 0.471 411 T N 2.937 117.323 114.554 -0.279 0.000 2.591 411 T HA 0.423 4.773 4.350 -0.000 0.000 0.274 411 T C -1.056 173.531 174.700 -0.188 0.000 0.945 411 T CA -0.616 61.377 62.100 -0.178 0.000 1.087 411 T CB 1.638 70.431 68.868 -0.124 0.000 1.416 411 T HN 0.681 nan 8.240 nan 0.000 0.514 412 D N 1.150 121.459 120.400 -0.152 0.000 2.312 412 D HA 0.435 5.075 4.640 -0.000 0.000 0.248 412 D C 0.451 176.671 176.300 -0.133 0.000 1.086 412 D CA -0.519 53.397 54.000 -0.139 0.000 0.948 412 D CB 1.102 41.822 40.800 -0.132 0.000 1.162 412 D HN 0.517 nan 8.370 nan 0.000 0.446 413 D N -0.454 119.882 120.400 -0.108 0.000 3.221 413 D HA 0.066 4.706 4.640 -0.000 0.000 0.207 413 D C -0.591 175.655 176.300 -0.091 0.000 1.292 413 D CA -0.166 53.782 54.000 -0.087 0.000 1.410 413 D CB 0.686 41.450 40.800 -0.059 0.000 0.956 413 D HN 0.130 nan 8.370 nan 0.000 0.177 414 N N 1.653 120.311 118.700 -0.069 0.000 2.800 414 N HA 0.238 4.978 4.740 -0.000 0.000 0.240 414 N C -1.906 173.584 175.510 -0.033 0.000 1.096 414 N CA -1.107 51.915 53.050 -0.047 0.000 0.877 414 N CB 2.156 40.625 38.487 -0.031 0.000 1.138 414 N HN 0.246 nan 8.380 nan 0.000 0.509 415 P HA -0.181 nan 4.420 nan 0.000 0.219 415 P C 0.427 177.719 177.300 -0.014 0.000 1.146 415 P CA 0.929 64.010 63.100 -0.032 0.000 0.808 415 P CB 0.947 32.622 31.700 -0.041 0.000 0.779 416 R N -1.401 119.097 120.500 -0.003 0.000 3.772 416 R HA -0.205 4.135 4.340 -0.000 0.000 0.480 416 R C 1.575 177.877 176.300 0.003 0.000 0.241 416 R CA 2.524 58.629 56.100 0.008 0.000 1.508 416 R CB -2.705 27.602 30.300 0.012 0.000 0.956 416 R HN 0.312 nan 8.270 nan 0.000 0.583 417 T N -0.398 114.159 114.554 0.006 0.000 3.107 417 T HA 0.179 4.529 4.350 -0.000 0.000 0.249 417 T C 0.351 175.052 174.700 0.000 0.000 1.096 417 T CA 0.261 62.364 62.100 0.005 0.000 1.012 417 T CB 0.053 68.927 68.868 0.010 0.000 0.977 417 T HN 0.319 nan 8.240 nan 0.000 0.527 418 E N 1.445 121.642 120.200 -0.004 0.000 2.283 418 E HA 0.248 4.598 4.350 -0.000 0.000 0.271 418 E C -0.446 176.146 176.600 -0.014 0.000 1.031 418 E CA -0.599 55.796 56.400 -0.007 0.000 0.868 418 E CB 1.071 30.766 29.700 -0.008 0.000 1.094 418 E HN 0.470 nan 8.360 nan 0.000 0.401 419 E N 2.968 123.159 120.200 -0.014 0.000 2.417 419 E HA -0.039 4.311 4.350 -0.000 0.000 0.261 419 E C -1.573 175.011 176.600 -0.027 0.000 1.000 419 E CA -1.402 54.987 56.400 -0.019 0.000 0.919 419 E CB 0.590 30.280 29.700 -0.017 0.000 0.955 419 E HN 0.279 nan 8.360 nan 0.000 0.455 420 P HA -0.233 nan 4.420 nan 0.000 0.216 420 P C 1.230 178.501 177.300 -0.049 0.000 1.157 420 P CA 1.440 64.513 63.100 -0.047 0.000 0.880 420 P CB 0.195 31.864 31.700 -0.052 0.000 0.791 421 R N -0.413 120.062 120.500 -0.041 0.000 2.115 421 R HA 0.061 4.401 4.340 -0.000 0.000 0.226 421 R C 2.245 178.524 176.300 -0.035 0.000 1.100 421 R CA 1.240 57.316 56.100 -0.040 0.000 0.980 421 R CB -0.987 29.293 30.300 -0.034 0.000 0.875 421 R HN 0.045 nan 8.270 nan 0.000 0.445 422 A N 0.877 123.680 122.820 -0.028 0.000 1.908 422 A HA -0.164 4.155 4.320 -0.000 0.000 0.218 422 A C 2.122 179.691 177.584 -0.025 0.000 1.181 422 A CA 1.631 53.655 52.037 -0.022 0.000 0.627 422 A CB -0.602 18.387 19.000 -0.017 0.000 0.818 422 A HN 0.365 nan 8.150 nan 0.000 0.445 423 I N -0.433 120.118 120.570 -0.031 0.000 2.226 423 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 423 I C 2.281 178.370 176.117 -0.046 0.000 1.100 423 I CA 1.311 62.590 61.300 -0.035 0.000 1.374 423 I CB -0.356 37.618 38.000 -0.043 0.000 1.057 423 I HN 0.307 nan 8.210 nan 0.000 0.413 424 I N 0.916 121.449 120.570 -0.060 0.000 2.286 424 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 424 I C 2.148 178.236 176.117 -0.049 0.000 1.115 424 I CA 1.181 62.435 61.300 -0.076 0.000 1.392 424 I CB -0.538 37.411 38.000 -0.084 0.000 1.065 424 I HN 0.323 nan 8.210 nan 0.000 0.418 425 N N 0.881 119.561 118.700 -0.033 0.000 2.166 425 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 425 N C 1.362 176.866 175.510 -0.011 0.000 1.019 425 N CA 1.314 54.352 53.050 -0.020 0.000 0.856 425 N CB -0.405 38.072 38.487 -0.016 0.000 0.993 425 N HN 0.359 nan 8.380 nan 0.000 0.426 426 D N 0.895 121.289 120.400 -0.010 0.000 2.144 426 D HA -0.020 4.620 4.640 -0.000 0.000 0.200 426 D C 2.103 178.409 176.300 0.011 0.000 0.978 426 D CA 0.400 54.400 54.000 -0.000 0.000 0.833 426 D CB -0.097 40.703 40.800 -0.000 0.000 0.961 426 D HN 0.306 nan 8.370 nan 0.000 0.470 427 I N 0.485 121.059 120.570 0.007 0.000 2.202 427 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 427 I C 2.315 178.459 176.117 0.045 0.000 1.091 427 I CA 0.647 61.969 61.300 0.037 0.000 1.368 427 I CB -0.111 37.895 38.000 0.010 0.000 1.058 427 I HN -0.048 nan 8.210 nan 0.000 0.410 428 L N 0.598 121.832 121.223 0.018 0.000 2.131 428 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 428 L C 2.734 179.615 176.870 0.020 0.000 1.092 428 L CA 1.042 55.895 54.840 0.021 0.000 0.759 428 L CB -0.744 41.318 42.059 0.005 0.000 0.903 428 L HN 0.221 nan 8.230 nan 0.000 0.435 429 A N 0.220 123.048 122.820 0.014 0.000 2.125 429 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 429 A C 1.434 179.026 177.584 0.013 0.000 1.156 429 A CA 1.192 53.236 52.037 0.010 0.000 0.671 429 A CB -0.919 18.085 19.000 0.007 0.000 0.794 429 A HN 0.398 nan 8.150 nan 0.000 0.459 433 D N 0.837 121.236 120.400 -0.003 0.000 2.328 433 D HA 0.556 5.196 4.640 -0.000 0.000 0.243 433 D C 0.640 176.967 176.300 0.046 0.000 1.324 433 D CA 0.507 54.522 54.000 0.025 0.000 0.966 433 D CB 1.668 42.496 40.800 0.047 0.000 1.324 433 D HN 0.191 nan 8.370 nan 0.000 0.549 434 A N 2.592 125.432 122.820 0.033 0.000 1.865 434 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 434 A C 2.159 179.771 177.584 0.047 0.000 1.191 434 A CA 1.812 53.870 52.037 0.035 0.000 0.623 434 A CB -1.091 17.920 19.000 0.018 0.000 0.826 434 A HN 0.624 nan 8.150 nan 0.000 0.444 435 G N -1.942 106.879 108.800 0.035 0.000 2.568 435 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.220 435 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.220 435 G C 1.472 176.388 174.900 0.027 0.000 1.104 435 G CA 1.256 46.367 45.100 0.019 0.000 0.738 435 G HN 0.698 nan 8.290 nan 0.000 0.574 436 H N 0.593 119.649 119.070 -0.023 0.000 2.502 436 H HA 0.381 4.937 4.556 -0.000 0.000 0.283 436 H C 1.602 176.910 175.328 -0.033 0.000 1.015 436 H CA 0.712 56.740 56.048 -0.032 0.000 1.298 436 H CB -0.041 29.698 29.762 -0.038 0.000 1.411 436 H HN 0.312 nan 8.280 nan 0.000 0.556 437 A N 1.226 124.130 122.820 0.141 0.000 2.340 437 A HA 0.301 4.621 4.320 -0.000 0.000 0.268 437 A C 0.005 177.618 177.584 0.048 0.000 1.100 437 A CA -0.406 51.687 52.037 0.093 0.000 0.803 437 A CB 0.395 19.439 19.000 0.074 0.000 1.043 437 A HN 0.304 nan 8.150 nan 0.000 0.488 438 K N 2.015 122.442 120.400 0.045 0.000 2.263 438 K HA 0.431 4.751 4.320 -0.000 0.000 0.282 438 K C -0.558 176.053 176.600 0.018 0.000 1.089 438 K CA -0.314 55.993 56.287 0.033 0.000 0.907 438 K CB 1.063 33.597 32.500 0.057 0.000 1.148 438 K HN 0.456 nan 8.250 nan 0.000 0.470 442 G N 2.043 110.779 108.800 -0.105 0.000 2.929 442 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.335 442 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.335 442 G C 0.235 175.045 174.900 -0.150 0.000 1.054 442 G CA 0.385 45.411 45.100 -0.125 0.000 1.067 442 G HN 0.555 nan 8.290 nan 0.000 0.472 443 R N 1.669 122.027 120.500 -0.236 0.000 2.083 443 R HA -0.024 4.316 4.340 -0.000 0.000 0.237 443 R C 3.086 179.273 176.300 -0.188 0.000 1.137 443 R CA 2.545 58.494 56.100 -0.252 0.000 0.951 443 R CB -0.285 29.764 30.300 -0.417 0.000 0.851 443 R HN 1.130 nan 8.270 nan 0.000 0.434 444 A N 0.965 123.633 122.820 -0.253 0.000 1.892 444 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 444 A C 1.923 179.509 177.584 0.003 0.000 1.188 444 A CA 2.032 54.072 52.037 0.006 0.000 0.631 444 A CB -0.520 18.519 19.000 0.065 0.000 0.822 444 A HN 0.425 nan 8.150 nan 0.000 0.447 445 E N 0.028 120.206 120.200 -0.036 0.000 2.077 445 E HA -0.011 4.339 4.350 -0.000 0.000 0.193 445 E C 2.266 178.856 176.600 -0.018 0.000 0.989 445 E CA 1.350 57.736 56.400 -0.024 0.000 0.800 445 E CB -0.564 29.117 29.700 -0.032 0.000 0.746 445 E HN 0.587 nan 8.360 nan 0.000 0.452 446 A N 0.558 123.363 122.820 -0.025 0.000 1.865 446 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 446 A C 2.510 180.100 177.584 0.009 0.000 1.191 446 A CA 1.669 53.703 52.037 -0.004 0.000 0.623 446 A CB -0.902 18.087 19.000 -0.018 0.000 0.826 446 A HN 0.152 nan 8.150 nan 0.000 0.444 447 V N -0.214 119.706 119.914 0.009 0.000 2.332 447 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 447 V C 2.754 178.827 176.094 -0.036 0.000 1.055 447 V CA 2.517 64.820 62.300 0.004 0.000 1.038 447 V CB -1.319 30.524 31.823 0.033 0.000 0.651 447 V HN 0.626 nan 8.190 nan 0.000 0.450 448 T N -1.041 113.497 114.554 -0.028 0.000 2.708 448 T HA -0.236 4.114 4.350 -0.000 0.000 0.266 448 T C 1.982 176.643 174.700 -0.064 0.000 1.037 448 T CA 1.983 64.055 62.100 -0.047 0.000 1.146 448 T CB -0.519 68.332 68.868 -0.028 0.000 0.865 448 T HN 0.543 nan 8.240 nan 0.000 0.435 449 C N 1.596 120.871 119.300 -0.041 0.000 2.413 449 C HA 0.021 4.481 4.460 -0.000 0.000 0.276 449 C C 3.227 178.159 174.990 -0.097 0.000 1.236 449 C CA 0.447 59.443 59.018 -0.036 0.000 1.735 449 C CB -1.464 26.284 27.740 0.013 0.000 2.031 449 C HN 0.665 nan 8.230 nan 0.000 0.474 450 A N -0.020 122.734 122.820 -0.109 0.000 1.877 450 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 450 A C 1.378 178.642 177.584 -0.533 0.000 1.186 450 A CA 1.442 53.292 52.037 -0.312 0.000 0.620 450 A CB -0.826 18.126 19.000 -0.080 0.000 0.822 450 A HN 0.355 nan 8.150 nan 0.000 0.443 454 A N 2.051 124.516 122.820 -0.592 0.000 2.498 454 A HA 0.302 4.622 4.320 -0.000 0.000 0.239 454 A C -0.048 177.447 177.584 -0.149 0.000 1.068 454 A CA 0.377 52.105 52.037 -0.514 0.000 0.766 454 A CB 0.321 18.773 19.000 -0.914 0.000 1.003 454 A HN 0.107 nan 8.150 nan 0.000 0.497 455 K N 0.422 120.830 120.400 0.013 0.000 2.098 455 K HA 0.142 4.462 4.320 -0.000 0.000 0.244 455 K C 1.060 177.670 176.600 0.017 0.000 1.014 455 K CA -0.282 56.023 56.287 0.029 0.000 0.917 455 K CB 0.758 33.304 32.500 0.077 0.000 1.072 455 K HN 0.879 nan 8.250 nan 0.000 0.477 456 E N 1.261 121.473 120.200 0.020 0.000 2.171 456 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 456 E C 0.991 177.616 176.600 0.042 0.000 0.997 456 E CA 1.532 57.946 56.400 0.024 0.000 0.810 456 E CB 0.082 29.797 29.700 0.024 0.000 0.738 456 E HN 0.548 nan 8.360 nan 0.000 0.467 457 N N 0.467 119.196 118.700 0.048 0.000 2.322 457 N HA -0.029 4.711 4.740 -0.000 0.000 0.194 457 N C -0.496 175.057 175.510 0.072 0.000 1.126 457 N CA 0.116 53.196 53.050 0.049 0.000 0.845 457 N CB 0.126 38.634 38.487 0.036 0.000 0.976 457 N HN -0.010 nan 8.380 nan 0.000 0.475 458 D N 0.422 120.877 120.400 0.093 0.000 2.387 458 D HA 0.377 5.017 4.640 -0.000 0.000 0.251 458 D C -0.339 176.036 176.300 0.125 0.000 1.141 458 D CA -0.370 53.718 54.000 0.146 0.000 0.987 458 D CB 2.214 43.135 40.800 0.203 0.000 1.116 458 D HN -0.213 nan 8.370 nan 0.000 0.491 459 V N 0.876 120.897 119.914 0.179 0.000 2.638 459 V HA 0.326 4.446 4.120 -0.000 0.000 0.306 459 V C -0.426 175.774 176.094 0.177 0.000 1.052 459 V CA -0.798 61.594 62.300 0.154 0.000 0.885 459 V CB 2.122 34.046 31.823 0.167 0.000 0.999 459 V HN 0.242 nan 8.190 nan 0.000 0.424 460 V N 5.750 125.721 119.914 0.096 0.000 2.357 460 V HA 0.458 4.578 4.120 -0.000 0.000 0.284 460 V C -0.406 175.757 176.094 0.116 0.000 1.018 460 V CA -0.588 61.773 62.300 0.100 0.000 0.841 460 V CB 1.584 33.375 31.823 -0.053 0.000 0.991 460 V HN 0.669 nan 8.190 nan 0.000 0.437 461 L N 7.134 128.448 121.223 0.150 0.000 2.257 461 L HA 0.585 4.925 4.340 -0.000 0.000 0.290 461 L C -0.320 176.627 176.870 0.129 0.000 1.044 461 L CA 0.230 55.144 54.840 0.123 0.000 0.810 461 L CB 1.429 43.548 42.059 0.101 0.000 1.193 461 L HN 0.446 nan 8.230 nan 0.000 0.425 462 V N 6.250 126.231 119.914 0.111 0.000 2.294 462 V HA 0.772 4.892 4.120 -0.000 0.000 0.272 462 V C 0.488 176.655 176.094 0.122 0.000 1.027 462 V CA -0.076 62.291 62.300 0.112 0.000 0.823 462 V CB 0.378 32.242 31.823 0.068 0.000 1.030 462 V HN 0.963 nan 8.190 nan 0.000 0.457 463 A N 3.303 126.210 122.820 0.145 0.000 2.350 463 A HA 0.928 5.248 4.320 -0.000 0.000 0.318 463 A C 1.080 178.750 177.584 0.143 0.000 1.132 463 A CA 0.165 52.282 52.037 0.134 0.000 0.811 463 A CB 1.575 20.629 19.000 0.089 0.000 1.313 463 A HN 1.631 nan 8.150 nan 0.000 0.454 464 G N -0.163 108.705 108.800 0.112 0.000 2.313 464 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.215 464 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.215 464 G C 0.992 175.906 174.900 0.022 0.000 1.023 464 G CA 0.629 45.770 45.100 0.067 0.000 0.626 464 G HN 0.659 nan 8.290 nan 0.000 0.503 465 K N 0.430 120.884 120.400 0.090 0.000 2.287 465 K HA 0.372 4.692 4.320 -0.000 0.000 0.199 465 K C 2.071 178.762 176.600 0.150 0.000 1.061 465 K CA 1.090 57.414 56.287 0.061 0.000 0.976 465 K CB 0.437 32.942 32.500 0.009 0.000 0.898 465 K HN 1.096 nan 8.250 nan 0.000 0.492 466 G N 2.670 111.598 108.800 0.214 0.000 2.646 466 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.324 466 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.324 466 G C 0.760 175.686 174.900 0.045 0.000 1.195 466 G CA 0.984 46.210 45.100 0.210 0.000 0.976 466 G HN 0.585 nan 8.290 nan 0.000 0.546 467 H N 2.177 121.233 119.070 -0.025 0.000 2.535 467 H HA 0.269 4.825 4.556 -0.000 0.000 0.273 467 H C 1.018 176.328 175.328 -0.030 0.000 0.983 467 H CA 0.956 56.979 56.048 -0.041 0.000 1.238 467 H CB -0.322 29.390 29.762 -0.082 0.000 1.412 467 H HN 0.682 nan 8.280 nan 0.000 0.562 468 E N 2.245 122.036 120.200 -0.681 0.000 2.608 468 E HA -0.085 4.265 4.350 -0.000 0.000 0.259 468 E C -0.103 176.348 176.600 -0.247 0.000 0.951 468 E CA 0.733 56.844 56.400 -0.481 0.000 0.945 468 E CB 0.362 29.672 29.700 -0.652 0.000 0.916 468 E HN 0.627 nan 8.360 nan 0.000 0.477 469 D N 2.029 122.405 120.400 -0.041 0.000 2.501 469 D HA 0.064 4.704 4.640 -0.000 0.000 0.226 469 D C -0.571 175.802 176.300 0.120 0.000 1.198 469 D CA -0.284 53.722 54.000 0.011 0.000 0.830 469 D CB -0.159 40.684 40.800 0.072 0.000 1.014 469 D HN 0.368 nan 8.370 nan 0.000 0.496 470 Y N -2.406 117.903 120.300 0.015 0.000 2.644 470 Y HA 0.688 5.238 4.550 -0.000 0.000 0.338 470 Y C -1.290 174.667 175.900 0.095 0.000 1.119 470 Y CA -1.581 56.552 58.100 0.055 0.000 1.060 470 Y CB 1.105 39.581 38.460 0.026 0.000 1.294 470 Y HN -0.092 nan 8.280 nan 0.000 0.472 471 Q N 1.690 121.577 119.800 0.144 0.000 2.271 471 Q HA 0.582 4.922 4.340 -0.000 0.000 0.268 471 Q C -2.037 174.037 176.000 0.122 0.000 1.021 471 Q CA -0.623 55.206 55.803 0.043 0.000 0.802 471 Q CB 1.907 30.647 28.738 0.002 0.000 1.282 471 Q HN 0.830 nan 8.270 nan 0.000 0.431 472 I N 4.080 124.719 120.570 0.116 0.000 2.312 472 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 472 I C -0.687 175.452 176.117 0.037 0.000 1.031 472 I CA -0.742 60.620 61.300 0.104 0.000 1.293 472 I CB 1.226 39.299 38.000 0.122 0.000 1.403 472 I HN 0.316 nan 8.210 nan 0.000 0.484 473 V N 6.397 126.327 119.914 0.027 0.000 2.376 473 V HA 0.698 4.818 4.120 -0.000 0.000 0.287 473 V C 0.757 176.856 176.094 0.008 0.000 1.015 473 V CA -0.025 62.277 62.300 0.004 0.000 0.834 473 V CB 0.575 32.393 31.823 -0.009 0.000 1.001 473 V HN 1.123 nan 8.190 nan 0.000 0.428 474 G N 5.246 114.050 108.800 0.005 0.000 2.543 474 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.286 474 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.286 474 G C 0.436 175.344 174.900 0.013 0.000 1.153 474 G CA 0.536 45.641 45.100 0.007 0.000 0.968 474 G HN 0.619 nan 8.290 nan 0.000 0.544 475 N N 1.667 120.375 118.700 0.014 0.000 2.204 475 N HA 0.155 4.895 4.740 -0.000 0.000 0.219 475 N C 0.256 175.775 175.510 0.015 0.000 1.151 475 N CA 0.248 53.307 53.050 0.015 0.000 0.867 475 N CB 0.908 39.403 38.487 0.013 0.000 1.043 475 N HN 0.633 nan 8.380 nan 0.000 0.516 476 Q N 0.534 120.345 119.800 0.019 0.000 2.245 476 Q HA 0.383 4.723 4.340 -0.000 0.000 0.256 476 Q C -0.269 175.756 176.000 0.042 0.000 0.942 476 Q CA -0.412 55.404 55.803 0.023 0.000 0.896 476 Q CB 2.022 30.772 28.738 0.020 0.000 1.272 476 Q HN -0.065 nan 8.270 nan 0.000 0.442 477 R N 2.399 122.924 120.500 0.042 0.000 2.215 477 R HA 0.365 4.705 4.340 -0.000 0.000 0.337 477 R C -0.597 175.760 176.300 0.094 0.000 1.010 477 R CA -0.266 55.883 56.100 0.082 0.000 0.871 477 R CB 0.462 30.772 30.300 0.017 0.000 1.134 477 R HN 0.382 nan 8.270 nan 0.000 0.477 478 L N 1.607 122.900 121.223 0.118 0.000 2.357 478 L HA 0.243 4.583 4.340 -0.000 0.000 0.273 478 L C 0.298 177.258 176.870 0.150 0.000 1.080 478 L CA -0.750 54.152 54.840 0.103 0.000 0.803 478 L CB 1.034 43.137 42.059 0.074 0.000 1.174 478 L HN 0.447 nan 8.230 nan 0.000 0.443 479 D N 1.350 121.823 120.400 0.122 0.000 2.339 479 D HA 0.254 4.894 4.640 -0.000 0.000 0.256 479 D C -1.287 175.113 176.300 0.166 0.000 1.214 479 D CA 0.439 54.513 54.000 0.123 0.000 0.877 479 D CB 0.254 41.098 40.800 0.073 0.000 1.111 479 D HN 0.335 nan 8.370 nan 0.000 0.478 480 Y N 2.244 122.552 120.300 0.013 0.000 2.474 480 Y HA 0.390 4.940 4.550 -0.000 0.000 0.326 480 Y C -1.796 174.072 175.900 -0.054 0.000 1.160 480 Y CA -0.845 57.239 58.100 -0.026 0.000 1.056 480 Y CB 1.390 39.825 38.460 -0.042 0.000 1.330 480 Y HN 0.266 nan 8.280 nan 0.000 0.447 481 S N 4.538 119.548 115.700 -1.150 0.000 2.677 481 S HA 0.325 4.795 4.470 -0.000 0.000 0.283 481 S C -0.320 173.753 174.600 -0.879 0.000 1.159 481 S CA -0.623 57.112 58.200 -0.774 0.000 1.001 481 S CB 1.005 63.990 63.200 -0.358 0.000 1.032 481 S HN 0.820 nan 8.310 nan 0.000 0.487 482 D N 3.696 123.793 120.400 -0.505 0.000 2.117 482 D HA -0.062 4.578 4.640 -0.000 0.000 0.197 482 D C 1.891 178.039 176.300 -0.254 0.000 0.987 482 D CA 1.241 55.098 54.000 -0.238 0.000 0.829 482 D CB 0.048 40.826 40.800 -0.036 0.000 0.961 482 D HN 0.600 nan 8.370 nan 0.000 0.460 483 R N 0.339 120.720 120.500 -0.199 0.000 2.083 483 R HA -0.093 4.247 4.340 -0.000 0.000 0.237 483 R C 2.441 178.609 176.300 -0.221 0.000 1.137 483 R CA 0.918 56.925 56.100 -0.155 0.000 0.951 483 R CB -0.505 29.800 30.300 0.009 0.000 0.851 483 R HN 0.096 nan 8.270 nan 0.000 0.434 484 V N 0.520 120.313 119.914 -0.202 0.000 2.358 484 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 484 V C 2.189 178.160 176.094 -0.205 0.000 1.047 484 V CA 2.116 64.313 62.300 -0.171 0.000 1.035 484 V CB -0.596 31.133 31.823 -0.156 0.000 0.658 484 V HN 0.410 nan 8.190 nan 0.000 0.452 485 T N 0.321 114.723 114.554 -0.255 0.000 2.652 485 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 485 T C 1.966 176.537 174.700 -0.215 0.000 1.039 485 T CA 1.913 63.898 62.100 -0.192 0.000 1.153 485 T CB -0.314 68.467 68.868 -0.144 0.000 0.863 485 T HN 0.279 nan 8.240 nan 0.000 0.428 486 V N 1.705 121.422 119.914 -0.329 0.000 2.295 486 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 486 V C 2.894 178.701 176.094 -0.478 0.000 1.049 486 V CA 1.699 63.721 62.300 -0.464 0.000 1.024 486 V CB -1.291 30.070 31.823 -0.770 0.000 0.648 486 V HN 0.546 nan 8.190 nan 0.000 0.447 487 A N -0.033 122.494 122.820 -0.487 0.000 1.908 487 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 487 A C 2.379 179.906 177.584 -0.095 0.000 1.181 487 A CA 2.078 54.000 52.037 -0.192 0.000 0.627 487 A CB -0.531 18.459 19.000 -0.017 0.000 0.818 487 A HN 0.522 nan 8.150 nan 0.000 0.445 488 R N -0.737 119.697 120.500 -0.109 0.000 2.092 488 R HA 0.015 4.355 4.340 -0.000 0.000 0.231 488 R C 2.026 178.286 176.300 -0.067 0.000 1.119 488 R CA 1.275 57.334 56.100 -0.069 0.000 0.970 488 R CB -0.426 29.834 30.300 -0.067 0.000 0.864 488 R HN 0.523 nan 8.270 nan 0.000 0.440 489 L N -0.024 121.141 121.223 -0.096 0.000 2.093 489 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 489 L C 1.634 178.467 176.870 -0.063 0.000 1.085 489 L CA 0.875 55.665 54.840 -0.082 0.000 0.755 489 L CB -0.145 41.851 42.059 -0.106 0.000 0.904 489 L HN 0.141 nan 8.230 nan 0.000 0.435 490 L N -0.758 120.428 121.223 -0.062 0.000 2.529 490 L HA 0.226 4.566 4.340 -0.000 0.000 0.223 490 L C 1.537 178.413 176.870 0.009 0.000 1.113 490 L CA 0.871 55.701 54.840 -0.017 0.000 0.861 490 L CB -0.498 41.569 42.059 0.014 0.000 1.012 490 L HN 0.310 nan 8.230 nan 0.000 0.461 491 G N 0.298 109.100 108.800 0.003 0.000 2.179 491 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.257 491 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.257 491 G C 0.216 175.140 174.900 0.039 0.000 1.010 491 G CA 0.511 45.620 45.100 0.014 0.000 0.736 491 G HN 0.503 nan 8.290 nan 0.000 0.513 492 V N -2.682 117.279 119.914 0.078 0.000 3.147 492 V HA 0.859 4.979 4.120 -0.000 0.000 0.306 492 V C 0.501 176.708 176.094 0.188 0.000 1.209 492 V CA -1.131 61.228 62.300 0.100 0.000 1.023 492 V CB 1.791 33.664 31.823 0.085 0.000 1.059 492 V HN 1.054 nan 8.190 nan 0.000 0.435 493 I N 0.719 121.356 120.570 0.112 0.000 3.244 493 I HA 0.886 5.056 4.170 -0.000 0.000 0.314 493 I C 0.747 176.773 176.117 -0.152 0.000 1.043 493 I CA -0.460 60.895 61.300 0.092 0.000 1.099 493 I CB 1.023 39.031 38.000 0.013 0.000 1.449 493 I HN 1.019 nan 8.210 nan 0.000 0.625 494 A N 2.084 124.565 122.820 -0.565 0.000 2.491 494 A HA 0.192 4.512 4.320 -0.000 0.000 0.261 494 A C 1.320 178.712 177.584 -0.319 0.000 1.101 494 A CA -0.199 51.332 52.037 -0.843 0.000 0.772 494 A CB -0.042 18.305 19.000 -1.088 0.000 1.043 494 A HN 0.899 nan 8.150 nan 0.000 0.501 495 R N 1.919 122.285 120.500 -0.225 0.000 2.075 495 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 495 R C 2.413 178.669 176.300 -0.074 0.000 1.126 495 R CA 1.898 57.933 56.100 -0.108 0.000 0.963 495 R CB -0.147 30.109 30.300 -0.073 0.000 0.858 495 R HN 0.944 nan 8.270 nan 0.000 0.435 496 S N -0.531 115.142 115.700 -0.045 0.000 2.419 496 S HA -0.166 4.304 4.470 -0.000 0.000 0.235 496 S C 1.224 175.828 174.600 0.008 0.000 1.019 496 S CA 1.345 59.553 58.200 0.014 0.000 0.982 496 S CB -0.332 62.922 63.200 0.090 0.000 0.789 496 S HN 0.474 nan 8.310 nan 0.000 0.490 497 H N 0.504 119.471 119.070 -0.173 0.000 2.586 497 H HA 0.470 5.026 4.556 -0.000 0.000 0.273 497 H C 1.019 176.268 175.328 -0.132 0.000 0.997 497 H CA 0.792 56.752 56.048 -0.146 0.000 1.177 497 H CB -0.041 29.628 29.762 -0.155 0.000 1.471 497 H HN 0.831 nan 8.280 nan 0.000 0.538 498 H N 0.000 119.054 119.070 -0.027 0.000 2.539 498 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 498 H CA 0.000 nan 56.048 nan 0.000 1.023 498 H CB 0.000 nan 29.762 nan 0.000 1.292 498 H HN 0.000 nan 8.280 nan 0.000 0.496