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 1aqf_1_H DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARSS SHSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 176.105 176.117 -0.021 0.000 1.063 12 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 12 I CB 0.000 37.983 38.000 -0.029 0.000 1.214 13 Q N 0.987 120.773 119.800 -0.023 0.000 2.861 13 Q HA 0.213 4.553 4.340 0.000 0.000 0.240 13 Q C -0.686 175.323 176.000 0.014 0.000 1.162 13 Q CA 1.108 56.912 55.803 0.002 0.000 1.078 13 Q CB 0.354 29.104 28.738 0.020 0.000 1.349 13 Q HN 0.608 nan 8.270 nan 0.000 0.595 14 T N 0.207 114.776 114.554 0.024 0.000 2.903 14 T HA 0.244 4.594 4.350 0.000 0.000 0.299 14 T C -1.120 173.601 174.700 0.034 0.000 1.093 14 T CA -0.436 61.678 62.100 0.023 0.000 1.002 14 T CB 1.393 70.271 68.868 0.017 0.000 1.127 14 T HN 0.656 nan 8.240 nan 0.000 0.488 15 Q N 1.433 121.253 119.800 0.033 0.000 2.503 15 Q HA -0.211 4.129 4.340 0.000 0.000 0.267 15 Q C -0.032 176.014 176.000 0.077 0.000 1.030 15 Q CA 0.954 56.785 55.803 0.048 0.000 1.041 15 Q CB -1.002 27.758 28.738 0.036 0.000 1.406 15 Q HN 0.724 nan 8.270 nan 0.000 0.524 16 Q N -1.077 118.763 119.800 0.067 0.000 2.437 16 Q HA -0.235 4.105 4.340 0.000 0.000 0.274 16 Q C 0.523 176.592 176.000 0.114 0.000 1.165 16 Q CA 1.138 56.987 55.803 0.076 0.000 0.925 16 Q CB -0.949 27.831 28.738 0.070 0.000 1.327 16 Q HN 0.632 nan 8.270 nan 0.000 0.505 17 L N -1.056 120.228 121.223 0.101 0.000 2.201 17 L HA -0.175 4.165 4.340 0.000 0.000 0.212 17 L C 1.917 178.867 176.870 0.134 0.000 1.105 17 L CA 2.306 57.206 54.840 0.100 0.000 0.775 17 L CB -0.539 41.562 42.059 0.071 0.000 0.913 17 L HN 0.564 nan 8.230 nan 0.000 0.440 18 H N 0.077 119.160 119.070 0.021 0.000 2.317 18 H HA 0.001 4.557 4.556 -0.000 0.000 0.304 18 H C 2.101 177.436 175.328 0.013 0.000 1.067 18 H CA 1.597 57.649 56.048 0.006 0.000 1.352 18 H CB 0.176 29.929 29.762 -0.015 0.000 1.398 18 H HN 0.196 nan 8.280 nan 0.000 0.510 19 A N 1.210 123.980 122.820 -0.083 0.000 1.908 19 A HA -0.098 4.222 4.320 0.000 0.000 0.218 19 A C 2.633 180.298 177.584 0.136 0.000 1.181 19 A CA 1.931 53.898 52.037 -0.117 0.000 0.627 19 A CB -1.425 17.446 19.000 -0.215 0.000 0.818 19 A HN 0.608 nan 8.150 nan 0.000 0.445 20 A N -0.647 122.263 122.820 0.150 0.000 2.042 20 A HA -0.188 4.132 4.320 0.000 0.000 0.222 20 A C 1.980 179.616 177.584 0.087 0.000 1.167 20 A CA 1.985 54.094 52.037 0.120 0.000 0.649 20 A CB -0.527 18.553 19.000 0.134 0.000 0.809 20 A HN 0.532 nan 8.150 nan 0.000 0.457 21 M N -0.711 118.920 119.600 0.053 0.000 2.428 21 M HA 0.276 4.756 4.480 0.000 0.000 0.239 21 M C 1.051 177.385 176.300 0.056 0.000 1.121 21 M CA 0.289 55.627 55.300 0.062 0.000 1.019 21 M CB -1.007 31.632 32.600 0.065 0.000 1.485 21 M HN 0.375 nan 8.290 nan 0.000 0.484 22 A N 2.241 125.062 122.820 0.001 0.000 2.521 22 A HA 0.026 4.346 4.320 0.000 0.000 0.237 22 A C 0.886 178.565 177.584 0.157 0.000 1.087 22 A CA 0.630 52.654 52.037 -0.022 0.000 0.777 22 A CB 0.178 19.060 19.000 -0.197 0.000 1.035 22 A HN 0.550 nan 8.150 nan 0.000 0.510 23 D N -0.934 119.543 120.400 0.129 0.000 2.422 23 D HA 0.093 4.733 4.640 0.000 0.000 0.218 23 D C 0.123 176.558 176.300 0.224 0.000 1.047 23 D CA 0.625 54.723 54.000 0.164 0.000 0.885 23 D CB -0.048 40.801 40.800 0.082 0.000 1.035 23 D HN 0.327 nan 8.370 nan 0.000 0.502 24 T N 0.571 115.230 114.554 0.175 0.000 2.824 24 T HA 0.206 4.556 4.350 0.000 0.000 0.282 24 T C 0.075 174.858 174.700 0.138 0.000 0.993 24 T CA -0.696 61.512 62.100 0.180 0.000 0.967 24 T CB 1.689 70.603 68.868 0.077 0.000 0.960 24 T HN -0.099 nan 8.240 nan 0.000 0.441 25 F N 3.801 123.880 119.950 0.216 0.000 2.115 25 F HA -0.144 4.383 4.527 -0.000 0.000 0.300 25 F C 1.769 177.563 175.800 -0.011 0.000 1.092 25 F CA 1.638 59.719 58.000 0.135 0.000 1.245 25 F CB -0.140 38.995 39.000 0.225 0.000 0.995 25 F HN 0.539 nan 8.300 nan 0.000 0.481 26 L N 0.305 121.448 121.223 -0.134 0.000 2.141 26 L HA -0.117 4.223 4.340 0.000 0.000 0.209 26 L C 2.204 178.903 176.870 -0.283 0.000 1.094 26 L CA 1.723 56.428 54.840 -0.225 0.000 0.763 26 L CB -0.864 41.182 42.059 -0.021 0.000 0.908 26 L HN 0.057 nan 8.230 nan 0.000 0.437 27 E N -0.900 119.169 120.200 -0.219 0.000 2.107 27 E HA -0.237 4.113 4.350 0.000 0.000 0.191 27 E C 2.055 178.457 176.600 -0.330 0.000 0.982 27 E CA 1.043 57.314 56.400 -0.216 0.000 0.809 27 E CB -0.181 29.442 29.700 -0.128 0.000 0.756 27 E HN 0.683 nan 8.360 nan 0.000 0.459 28 H N 0.492 119.196 119.070 -0.610 0.000 2.290 28 H HA -0.046 4.510 4.556 0.000 0.000 0.298 28 H C 2.165 177.121 175.328 -0.621 0.000 1.087 28 H CA 2.249 57.829 56.048 -0.780 0.000 1.291 28 H CB -0.257 28.701 29.762 -1.340 0.000 1.369 28 H HN 0.048 nan 8.280 nan 0.000 0.492 29 M N -0.642 118.469 119.600 -0.816 0.000 2.073 29 M HA -0.235 4.245 4.480 0.000 0.000 0.258 29 M C 2.472 178.519 176.300 -0.422 0.000 1.070 29 M CA 2.014 56.921 55.300 -0.654 0.000 1.103 29 M CB -0.415 31.834 32.600 -0.585 0.000 1.321 29 M HN 0.443 nan 8.290 nan 0.000 0.405 30 C N -0.711 118.389 119.300 -0.333 0.000 2.466 30 C HA -0.040 4.420 4.460 0.000 0.000 0.283 30 C C 2.207 177.065 174.990 -0.219 0.000 1.472 30 C CA 0.351 59.234 59.018 -0.225 0.000 1.765 30 C CB -1.718 25.924 27.740 -0.163 0.000 1.724 30 C HN 0.449 nan 8.230 nan 0.000 0.560 31 R N 0.195 120.512 120.500 -0.305 0.000 2.317 31 R HA 0.261 4.601 4.340 0.000 0.000 0.208 31 R C -0.038 176.129 176.300 -0.221 0.000 0.914 31 R CA -0.104 55.821 56.100 -0.292 0.000 1.060 31 R CB 0.008 30.028 30.300 -0.466 0.000 1.015 31 R HN 0.529 nan 8.270 nan 0.000 0.498 32 L N 1.501 122.573 121.223 -0.251 0.000 2.369 32 L HA 0.124 4.464 4.340 0.000 0.000 0.279 32 L C -0.167 176.643 176.870 -0.100 0.000 1.108 32 L CA -0.068 54.654 54.840 -0.197 0.000 0.852 32 L CB 0.363 42.272 42.059 -0.250 0.000 1.169 32 L HN -0.084 nan 8.230 nan 0.000 0.452 33 D N 3.366 123.733 120.400 -0.055 0.000 2.278 33 D HA 0.246 4.886 4.640 0.000 0.000 0.245 33 D C 0.875 177.159 176.300 -0.027 0.000 1.052 33 D CA -0.558 53.426 54.000 -0.027 0.000 0.834 33 D CB 1.774 42.576 40.800 0.004 0.000 1.194 33 D HN 0.478 nan 8.370 nan 0.000 0.481 34 I N -0.461 120.092 120.570 -0.027 0.000 3.444 34 I HA 0.100 4.270 4.170 0.000 0.000 0.287 34 I C 0.133 176.240 176.117 -0.016 0.000 1.302 34 I CA 0.454 61.740 61.300 -0.023 0.000 1.368 34 I CB 0.182 38.168 38.000 -0.024 0.000 1.048 34 I HN 0.030 nan 8.210 nan 0.000 0.487 35 D N 0.772 121.165 120.400 -0.012 0.000 2.398 35 D HA 0.109 4.749 4.640 0.000 0.000 0.210 35 D C 0.459 176.757 176.300 -0.004 0.000 1.094 35 D CA 0.341 54.336 54.000 -0.008 0.000 0.839 35 D CB 0.732 41.526 40.800 -0.010 0.000 0.963 35 D HN 0.125 nan 8.370 nan 0.000 0.506 36 S N 1.027 116.727 115.700 -0.000 0.000 2.642 36 S HA 0.480 4.950 4.470 0.000 0.000 0.309 36 S C 0.167 174.771 174.600 0.006 0.000 1.125 36 S CA -0.600 57.605 58.200 0.008 0.000 1.055 36 S CB 0.020 63.232 63.200 0.020 0.000 1.157 36 S HN 0.232 nan 8.310 nan 0.000 0.513 37 A N 6.757 129.580 122.820 0.004 0.000 2.540 37 A HA 0.388 4.708 4.320 0.000 0.000 0.239 37 A C -2.041 175.546 177.584 0.005 0.000 1.061 37 A CA -0.730 51.309 52.037 0.002 0.000 0.758 37 A CB -0.226 18.775 19.000 0.003 0.000 0.991 37 A HN 0.523 nan 8.150 nan 0.000 0.502 38 P HA 0.368 nan 4.420 nan 0.000 0.276 38 P C 0.354 177.648 177.300 -0.009 0.000 1.261 38 P CA -0.486 62.612 63.100 -0.003 0.000 0.800 38 P CB 0.324 32.014 31.700 -0.016 0.000 1.066 39 I N -1.910 118.649 120.570 -0.019 0.000 3.184 39 I HA 0.135 4.305 4.170 0.000 0.000 0.216 39 I C 0.828 176.921 176.117 -0.040 0.000 1.293 39 I CA -0.076 61.201 61.300 -0.038 0.000 0.817 39 I CB -0.936 37.019 38.000 -0.075 0.000 1.690 39 I HN 0.151 nan 8.210 nan 0.000 0.944 40 T N 0.194 114.715 114.554 -0.055 0.000 3.054 40 T HA 0.445 4.795 4.350 0.000 0.000 0.255 40 T C 0.381 175.084 174.700 0.005 0.000 1.035 40 T CA 0.134 62.242 62.100 0.013 0.000 0.941 40 T CB 0.079 69.001 68.868 0.090 0.000 1.026 40 T HN 0.696 nan 8.240 nan 0.000 0.533 41 A N 1.470 124.170 122.820 -0.199 0.000 2.325 41 A HA 0.766 5.086 4.320 0.000 0.000 0.333 41 A C -0.130 177.414 177.584 -0.068 0.000 1.155 41 A CA -0.739 51.144 52.037 -0.256 0.000 0.814 41 A CB 0.998 19.523 19.000 -0.791 0.000 1.206 41 A HN 0.183 nan 8.150 nan 0.000 0.482 42 R N 1.301 121.845 120.500 0.073 0.000 2.343 42 R HA 0.278 4.618 4.340 0.000 0.000 0.320 42 R C -0.374 176.014 176.300 0.146 0.000 0.956 42 R CA -0.268 55.904 56.100 0.121 0.000 0.836 42 R CB 0.885 31.329 30.300 0.241 0.000 1.151 42 R HN 0.980 nan 8.270 nan 0.000 0.450 43 N N 0.185 118.953 118.700 0.113 0.000 2.356 43 N HA -0.004 4.736 4.740 0.000 0.000 0.178 43 N C -0.466 175.127 175.510 0.139 0.000 1.075 43 N CA 0.185 53.313 53.050 0.131 0.000 0.889 43 N CB 0.572 39.126 38.487 0.113 0.000 0.999 43 N HN 0.425 nan 8.380 nan 0.000 0.464 44 T N 0.572 115.200 114.554 0.125 0.000 2.851 44 T HA 0.320 4.670 4.350 0.000 0.000 0.298 44 T C 0.721 175.497 174.700 0.126 0.000 0.977 44 T CA -0.704 61.462 62.100 0.110 0.000 1.126 44 T CB 1.442 70.363 68.868 0.089 0.000 0.916 44 T HN 0.117 nan 8.240 nan 0.000 0.529 45 G N 2.316 111.185 108.800 0.115 0.000 2.403 45 G HA2 0.521 4.481 3.960 0.000 0.000 0.259 45 G HA3 0.521 4.481 3.960 0.000 0.000 0.259 45 G C -0.374 174.577 174.900 0.085 0.000 1.244 45 G CA -0.662 44.511 45.100 0.121 0.000 0.849 45 G HN 0.777 nan 8.290 nan 0.000 0.532 46 I N 2.071 122.687 120.570 0.076 0.000 2.359 46 I HA 0.362 4.532 4.170 0.000 0.000 0.294 46 I C -0.136 176.001 176.117 0.034 0.000 0.987 46 I CA -0.451 60.884 61.300 0.059 0.000 1.225 46 I CB 1.630 39.669 38.000 0.065 0.000 1.366 46 I HN 0.183 nan 8.210 nan 0.000 0.466 47 I N 5.918 126.515 120.570 0.046 0.000 2.436 47 I HA 0.390 4.560 4.170 0.000 0.000 0.289 47 I C -0.665 175.488 176.117 0.060 0.000 1.010 47 I CA -0.554 60.779 61.300 0.055 0.000 1.098 47 I CB 1.733 39.791 38.000 0.096 0.000 1.266 47 I HN 0.567 nan 8.210 nan 0.000 0.434 48 C N 2.451 121.781 119.300 0.049 0.000 2.529 48 C HA 0.657 5.117 4.460 0.000 0.000 0.329 48 C C 0.422 175.449 174.990 0.063 0.000 1.194 48 C CA -0.762 58.288 59.018 0.054 0.000 1.779 48 C CB 1.198 28.965 27.740 0.045 0.000 2.322 48 C HN 0.674 nan 8.230 nan 0.000 0.500 49 T N 3.617 118.212 114.554 0.069 0.000 2.753 49 T HA 0.401 4.752 4.350 0.000 0.000 0.297 49 T C 0.119 174.860 174.700 0.068 0.000 0.981 49 T CA -0.033 62.112 62.100 0.076 0.000 0.956 49 T CB -0.031 68.888 68.868 0.085 0.000 0.936 49 T HN 0.432 nan 8.240 nan 0.000 0.463 50 I N 3.459 124.066 120.570 0.062 0.000 2.395 50 I HA 0.611 4.781 4.170 0.000 0.000 0.289 50 I C 0.948 177.109 176.117 0.074 0.000 1.023 50 I CA 0.000 61.330 61.300 0.050 0.000 1.350 50 I CB 0.721 38.735 38.000 0.022 0.000 1.409 50 I HN 0.762 nan 8.210 nan 0.000 0.507 51 G N 6.633 115.475 108.800 0.070 0.000 2.753 51 G HA2 0.443 4.403 3.960 0.000 0.000 0.303 51 G HA3 0.443 4.403 3.960 0.000 0.000 0.303 51 G C -2.520 172.434 174.900 0.089 0.000 1.242 51 G CA -0.334 44.839 45.100 0.121 0.000 0.810 51 G HN 0.261 nan 8.290 nan 0.000 0.515 52 P HA -0.118 nan 4.420 nan 0.000 0.218 52 P C 1.652 178.981 177.300 0.048 0.000 1.154 52 P CA 2.536 65.697 63.100 0.101 0.000 0.872 52 P CB 0.049 31.808 31.700 0.099 0.000 0.790 53 A N -1.074 121.770 122.820 0.040 0.000 2.238 53 A HA 0.126 4.446 4.320 0.000 0.000 0.208 53 A C 1.489 179.081 177.584 0.012 0.000 1.177 53 A CA 1.165 53.212 52.037 0.015 0.000 0.804 53 A CB -0.584 18.419 19.000 0.006 0.000 0.823 53 A HN 0.329 nan 8.150 nan 0.000 0.482 54 S N -2.266 113.445 115.700 0.018 0.000 3.067 54 S HA 0.210 4.680 4.470 0.000 0.000 0.253 54 S C 0.891 175.491 174.600 -0.000 0.000 0.942 54 S CA -0.005 58.203 58.200 0.013 0.000 1.197 54 S CB -0.336 62.878 63.200 0.024 0.000 1.143 54 S HN 0.451 nan 8.310 nan 0.000 0.638 55 R N 2.605 123.098 120.500 -0.013 0.000 2.200 55 R HA 0.160 4.500 4.340 0.000 0.000 0.208 55 R C 0.680 176.954 176.300 -0.043 0.000 1.033 55 R CA 1.000 57.072 56.100 -0.047 0.000 1.000 55 R CB -0.129 30.121 30.300 -0.084 0.000 0.906 55 R HN 0.563 nan 8.270 nan 0.000 0.462 56 S N -0.794 114.892 115.700 -0.024 0.000 2.580 56 S HA -0.044 4.426 4.470 0.000 0.000 0.261 56 S C 1.363 175.950 174.600 -0.022 0.000 1.366 56 S CA -0.489 57.699 58.200 -0.021 0.000 0.996 56 S CB 1.066 64.259 63.200 -0.012 0.000 0.902 56 S HN -0.048 nan 8.310 nan 0.000 0.566 57 V N 1.275 121.175 119.914 -0.024 0.000 2.239 57 V HA -0.117 4.003 4.120 0.000 0.000 0.242 57 V C 2.709 178.789 176.094 -0.024 0.000 1.038 57 V CA 1.791 64.073 62.300 -0.030 0.000 1.002 57 V CB -1.018 30.783 31.823 -0.036 0.000 0.641 57 V HN 0.889 nan 8.190 nan 0.000 0.449 58 E N -0.041 120.148 120.200 -0.018 0.000 2.082 58 E HA -0.316 4.034 4.350 0.000 0.000 0.215 58 E C 2.187 178.793 176.600 0.010 0.000 1.048 58 E CA 2.528 58.925 56.400 -0.005 0.000 0.869 58 E CB -0.547 29.153 29.700 -0.000 0.000 0.773 58 E HN 0.583 nan 8.360 nan 0.000 0.466 59 T N 1.646 116.205 114.554 0.009 0.000 2.720 59 T HA -0.173 4.177 4.350 0.000 0.000 0.268 59 T C 1.822 176.536 174.700 0.023 0.000 1.037 59 T CA 0.867 62.977 62.100 0.017 0.000 1.144 59 T CB -0.282 68.592 68.868 0.010 0.000 0.864 59 T HN -0.012 nan 8.240 nan 0.000 0.444 60 L N 1.139 122.370 121.223 0.013 0.000 2.081 60 L HA -0.074 4.266 4.340 0.000 0.000 0.212 60 L C 2.286 179.180 176.870 0.041 0.000 1.080 60 L CA 1.669 56.519 54.840 0.017 0.000 0.754 60 L CB -0.713 41.346 42.059 0.000 0.000 0.893 60 L HN 0.210 nan 8.230 nan 0.000 0.433 61 K N -0.897 119.528 120.400 0.042 0.000 1.973 61 K HA -0.207 4.113 4.320 0.000 0.000 0.212 61 K C 1.915 178.605 176.600 0.150 0.000 1.047 61 K CA 1.369 57.712 56.287 0.093 0.000 0.937 61 K CB -0.145 32.384 32.500 0.048 0.000 0.721 61 K HN 0.045 nan 8.250 nan 0.000 0.440 62 E N 0.425 120.686 120.200 0.101 0.000 2.393 62 E HA -0.148 4.202 4.350 0.000 0.000 0.201 62 E C 1.558 178.196 176.600 0.064 0.000 1.025 62 E CA 1.197 57.648 56.400 0.084 0.000 0.856 62 E CB 0.028 29.764 29.700 0.059 0.000 0.771 62 E HN 0.272 nan 8.360 nan 0.000 0.526 63 M N -1.263 118.374 119.600 0.062 0.000 2.534 63 M HA 0.098 4.578 4.480 0.000 0.000 0.263 63 M C 1.565 177.886 176.300 0.035 0.000 1.152 63 M CA 0.232 55.557 55.300 0.041 0.000 1.145 63 M CB 0.326 32.947 32.600 0.035 0.000 1.333 63 M HN 0.072 nan 8.290 nan 0.000 0.477 64 I N -0.042 120.571 120.570 0.072 0.000 2.252 64 I HA -0.267 3.903 4.170 0.000 0.000 0.245 64 I C 2.011 178.144 176.117 0.025 0.000 1.102 64 I CA 1.396 62.740 61.300 0.073 0.000 1.385 64 I CB -0.717 37.399 38.000 0.194 0.000 1.064 64 I HN 0.298 nan 8.210 nan 0.000 0.414 65 K N 0.918 121.345 120.400 0.045 0.000 2.026 65 K HA -0.099 4.221 4.320 0.000 0.000 0.208 65 K C 2.244 178.811 176.600 -0.055 0.000 1.048 65 K CA 1.583 57.855 56.287 -0.025 0.000 0.929 65 K CB -0.083 32.429 32.500 0.020 0.000 0.713 65 K HN 0.124 nan 8.250 nan 0.000 0.439 66 S N -0.770 114.910 115.700 -0.034 0.000 2.442 66 S HA -0.077 4.393 4.470 0.000 0.000 0.236 66 S C 1.257 175.757 174.600 -0.167 0.000 1.007 66 S CA 1.211 59.367 58.200 -0.073 0.000 0.965 66 S CB 0.183 63.373 63.200 -0.017 0.000 0.773 66 S HN 0.652 nan 8.310 nan 0.000 0.504 67 G N 0.336 109.065 108.800 -0.118 0.000 2.321 67 G HA2 -0.146 3.814 3.960 0.000 0.000 0.174 67 G HA3 -0.146 3.814 3.960 0.000 0.000 0.174 67 G C -0.002 174.876 174.900 -0.036 0.000 1.008 67 G CA -0.200 44.833 45.100 -0.112 0.000 0.739 67 G HN 0.373 nan 8.290 nan 0.000 0.502 68 M N 0.920 120.502 119.600 -0.029 0.000 2.245 68 M HA 0.361 4.841 4.480 0.000 0.000 0.344 68 M C 0.912 177.162 176.300 -0.084 0.000 1.170 68 M CA 1.006 56.286 55.300 -0.032 0.000 1.135 68 M CB 0.213 32.804 32.600 -0.015 0.000 1.574 68 M HN 0.261 nan 8.290 nan 0.000 0.452 69 N N 2.080 120.690 118.700 -0.151 0.000 2.272 69 N HA 0.206 4.946 4.740 0.000 0.000 0.228 69 N C -1.251 173.963 175.510 -0.492 0.000 1.206 69 N CA -0.413 52.382 53.050 -0.425 0.000 0.855 69 N CB 1.167 39.411 38.487 -0.405 0.000 1.248 69 N HN 0.382 nan 8.380 nan 0.000 0.476 70 V N 1.001 120.785 119.914 -0.216 0.000 2.623 70 V HA 0.708 4.828 4.120 0.000 0.000 0.304 70 V C -1.010 175.054 176.094 -0.049 0.000 1.054 70 V CA -1.217 61.007 62.300 -0.127 0.000 0.882 70 V CB 1.593 33.393 31.823 -0.039 0.000 1.002 70 V HN 0.157 nan 8.190 nan 0.000 0.424 71 A N 4.791 127.582 122.820 -0.049 0.000 2.260 71 A HA 0.742 5.062 4.320 0.000 0.000 0.308 71 A C 0.072 177.642 177.584 -0.023 0.000 1.254 71 A CA -0.532 51.494 52.037 -0.019 0.000 0.874 71 A CB 0.512 19.502 19.000 -0.017 0.000 1.153 71 A HN 0.835 nan 8.150 nan 0.000 0.527 72 R N 3.592 124.100 120.500 0.013 0.000 2.255 72 R HA 0.496 4.836 4.340 0.000 0.000 0.326 72 R C -1.423 174.891 176.300 0.024 0.000 0.986 72 R CA -0.583 55.514 56.100 -0.004 0.000 0.847 72 R CB 0.638 30.997 30.300 0.099 0.000 1.111 72 R HN 0.606 nan 8.270 nan 0.000 0.452 73 M N 3.985 123.590 119.600 0.008 0.000 2.094 73 M HA 0.164 4.644 4.480 0.000 0.000 0.348 73 M C -0.279 176.061 176.300 0.067 0.000 1.267 73 M CA -0.403 54.927 55.300 0.050 0.000 1.125 73 M CB 0.624 33.310 32.600 0.143 0.000 1.527 73 M HN 0.403 nan 8.290 nan 0.000 0.447 74 N N 2.364 121.081 118.700 0.029 0.000 2.415 74 N HA 0.103 4.843 4.740 0.000 0.000 0.250 74 N C -0.079 175.395 175.510 -0.061 0.000 1.127 74 N CA 0.121 53.191 53.050 0.034 0.000 0.945 74 N CB 0.104 38.596 38.487 0.008 0.000 1.196 74 N HN 0.452 nan 8.380 nan 0.000 0.499 75 F N 1.367 121.224 119.950 -0.155 0.000 2.664 75 F HA -0.037 4.490 4.527 -0.000 0.000 0.297 75 F C 2.226 178.021 175.800 -0.009 0.000 1.164 75 F CA 0.390 58.326 58.000 -0.106 0.000 1.472 75 F CB -0.215 38.718 39.000 -0.111 0.000 1.108 75 F HN 0.477 nan 8.300 nan 0.000 0.596 76 S N -1.692 113.993 115.700 -0.024 0.000 2.447 76 S HA -0.084 4.386 4.470 0.000 0.000 0.233 76 S C 0.712 175.276 174.600 -0.060 0.000 1.006 76 S CA 0.828 58.960 58.200 -0.113 0.000 0.957 76 S CB -0.283 62.740 63.200 -0.295 0.000 0.773 76 S HN 0.488 nan 8.310 nan 0.000 0.507 77 H N -1.617 117.471 119.070 0.030 0.000 3.379 77 H HA 0.548 5.104 4.556 -0.000 0.000 0.298 77 H C 0.835 176.144 175.328 -0.032 0.000 1.672 77 H CA -0.883 55.156 56.048 -0.015 0.000 1.446 77 H CB 0.154 29.891 29.762 -0.042 0.000 1.710 77 H HN 0.261 nan 8.280 nan 0.000 0.791 78 G N 0.182 108.975 108.800 -0.012 0.000 3.106 78 G HA2 -0.240 3.720 3.960 0.000 0.000 0.687 78 G HA3 -0.240 3.720 3.960 0.000 0.000 0.687 78 G C -0.399 174.385 174.900 -0.194 0.000 1.527 78 G CA 0.224 45.150 45.100 -0.289 0.000 1.058 78 G HN 0.558 nan 8.290 nan 0.000 0.561 79 T N -0.103 114.314 114.554 -0.228 0.000 2.943 79 T HA 0.493 4.843 4.350 0.000 0.000 0.284 79 T C 1.384 176.058 174.700 -0.043 0.000 1.015 79 T CA 0.003 62.049 62.100 -0.089 0.000 1.042 79 T CB 1.404 70.222 68.868 -0.084 0.000 1.055 79 T HN 0.597 nan 8.240 nan 0.000 0.500 80 H N -0.037 118.883 119.070 -0.250 0.000 2.466 80 H HA -0.174 4.382 4.556 -0.000 0.000 0.297 80 H C 2.008 177.350 175.328 0.022 0.000 1.113 80 H CA 1.313 57.099 56.048 -0.437 0.000 1.273 80 H CB 0.364 29.847 29.762 -0.465 0.000 1.371 80 H HN 0.618 nan 8.280 nan 0.000 0.528 81 E N 0.624 120.911 120.200 0.145 0.000 2.007 81 E HA -0.201 4.149 4.350 0.000 0.000 0.194 81 E C 1.969 178.653 176.600 0.140 0.000 0.999 81 E CA 1.075 57.563 56.400 0.146 0.000 0.811 81 E CB -0.425 29.325 29.700 0.083 0.000 0.762 81 E HN 0.342 nan 8.360 nan 0.000 0.450 82 Y N 1.002 121.226 120.300 -0.126 0.000 2.040 82 Y HA -0.335 4.215 4.550 -0.000 0.000 0.275 82 Y C 2.458 178.264 175.900 -0.157 0.000 1.171 82 Y CA 2.522 60.492 58.100 -0.216 0.000 1.123 82 Y CB -0.670 37.513 38.460 -0.463 0.000 0.963 82 Y HN 0.339 nan 8.280 nan 0.000 0.493 83 H N -0.863 118.301 119.070 0.156 0.000 2.426 83 H HA -0.122 4.434 4.556 0.000 0.000 0.298 83 H C 2.274 177.796 175.328 0.324 0.000 1.107 83 H CA 1.253 57.404 56.048 0.171 0.000 1.298 83 H CB -0.904 28.950 29.762 0.153 0.000 1.377 83 H HN 0.482 nan 8.280 nan 0.000 0.519 84 A N 0.597 123.718 122.820 0.502 0.000 1.968 84 A HA -0.121 4.199 4.320 0.000 0.000 0.217 84 A C 2.367 180.043 177.584 0.153 0.000 1.169 84 A CA 1.270 53.529 52.037 0.370 0.000 0.638 84 A CB -0.152 19.080 19.000 0.388 0.000 0.812 84 A HN 0.415 nan 8.150 nan 0.000 0.446 85 E N -0.479 119.774 120.200 0.089 0.000 2.112 85 E HA -0.104 4.246 4.350 0.000 0.000 0.190 85 E C 1.911 178.478 176.600 -0.055 0.000 0.979 85 E CA 1.381 57.782 56.400 0.001 0.000 0.814 85 E CB 0.025 29.711 29.700 -0.024 0.000 0.762 85 E HN 0.674 nan 8.360 nan 0.000 0.460 86 T N 1.108 115.598 114.554 -0.107 0.000 2.777 86 T HA -0.103 4.247 4.350 0.000 0.000 0.266 86 T C 2.003 176.688 174.700 -0.024 0.000 1.040 86 T CA 0.830 62.858 62.100 -0.120 0.000 1.141 86 T CB -0.213 68.548 68.868 -0.178 0.000 0.868 86 T HN 0.129 nan 8.240 nan 0.000 0.444 87 I N 1.263 121.853 120.570 0.033 0.000 2.127 87 I HA -0.215 3.955 4.170 0.000 0.000 0.241 87 I C 2.843 178.963 176.117 0.004 0.000 1.075 87 I CA 1.445 62.762 61.300 0.028 0.000 1.334 87 I CB -0.408 37.619 38.000 0.046 0.000 1.040 87 I HN 0.216 nan 8.210 nan 0.000 0.405 88 K N 1.472 121.874 120.400 0.003 0.000 2.020 88 K HA -0.266 4.054 4.320 0.000 0.000 0.212 88 K C 1.752 178.344 176.600 -0.014 0.000 1.050 88 K CA 2.213 58.496 56.287 -0.006 0.000 0.929 88 K CB -0.427 32.073 32.500 -0.000 0.000 0.714 88 K HN 0.423 nan 8.250 nan 0.000 0.443 89 N N -0.019 118.668 118.700 -0.021 0.000 2.205 89 N HA -0.162 4.578 4.740 0.000 0.000 0.186 89 N C 1.838 177.333 175.510 -0.025 0.000 1.015 89 N CA 1.063 54.096 53.050 -0.028 0.000 0.862 89 N CB 0.074 38.537 38.487 -0.039 0.000 0.986 89 N HN 0.029 nan 8.380 nan 0.000 0.429 90 V N 1.072 120.975 119.914 -0.017 0.000 2.239 90 V HA -0.170 3.950 4.120 0.000 0.000 0.242 90 V C 2.109 178.204 176.094 0.001 0.000 1.038 90 V CA 1.504 63.799 62.300 -0.008 0.000 1.002 90 V CB -0.375 31.445 31.823 -0.005 0.000 0.641 90 V HN 0.195 nan 8.190 nan 0.000 0.449 91 R N -0.543 119.960 120.500 0.006 0.000 2.185 91 R HA -0.183 4.157 4.340 0.000 0.000 0.247 91 R C 2.315 178.622 176.300 0.013 0.000 1.159 91 R CA 1.987 58.098 56.100 0.019 0.000 0.988 91 R CB -0.559 29.747 30.300 0.009 0.000 0.871 91 R HN 0.527 nan 8.270 nan 0.000 0.458 92 T N -0.034 114.514 114.554 -0.011 0.000 2.668 92 T HA -0.092 4.258 4.350 0.000 0.000 0.258 92 T C 1.855 176.518 174.700 -0.061 0.000 1.051 92 T CA 1.365 63.445 62.100 -0.033 0.000 1.155 92 T CB -0.316 68.529 68.868 -0.037 0.000 0.864 92 T HN 0.406 nan 8.240 nan 0.000 0.413 93 A N 1.197 123.979 122.820 -0.064 0.000 1.927 93 A HA -0.200 4.120 4.320 0.000 0.000 0.220 93 A C 2.493 180.007 177.584 -0.116 0.000 1.185 93 A CA 2.545 54.516 52.037 -0.111 0.000 0.639 93 A CB -1.460 17.509 19.000 -0.052 0.000 0.820 93 A HN 0.543 nan 8.150 nan 0.000 0.451 94 T N -0.075 114.491 114.554 0.020 0.000 2.595 94 T HA -0.146 4.204 4.350 0.000 0.000 0.264 94 T C 1.756 176.601 174.700 0.241 0.000 1.058 94 T CA 1.527 63.721 62.100 0.157 0.000 1.166 94 T CB -0.354 68.612 68.868 0.164 0.000 0.863 94 T HN 0.437 nan 8.240 nan 0.000 0.415 95 E N 1.275 121.560 120.200 0.142 0.000 2.331 95 E HA -0.069 4.281 4.350 0.000 0.000 0.199 95 E C 2.335 178.919 176.600 -0.027 0.000 1.008 95 E CA 0.630 57.077 56.400 0.078 0.000 0.843 95 E CB -0.582 29.129 29.700 0.019 0.000 0.761 95 E HN 0.570 nan 8.360 nan 0.000 0.507 96 S N -0.570 115.038 115.700 -0.152 0.000 2.595 96 S HA -0.088 4.382 4.470 0.000 0.000 0.235 96 S C 0.785 175.201 174.600 -0.307 0.000 0.974 96 S CA 0.354 58.370 58.200 -0.307 0.000 0.942 96 S CB -0.199 62.712 63.200 -0.481 0.000 0.766 96 S HN 0.095 nan 8.310 nan 0.000 0.536 97 F N 0.368 120.382 119.950 0.106 0.000 2.735 97 F HA 0.581 5.108 4.527 0.000 0.000 0.308 97 F C 1.542 177.383 175.800 0.068 0.000 1.112 97 F CA -0.846 57.234 58.000 0.133 0.000 1.235 97 F CB -0.195 38.942 39.000 0.228 0.000 1.027 97 F HN 0.247 nan 8.300 nan 0.000 0.528 98 A N -0.117 122.716 122.820 0.022 0.000 2.265 98 A HA 0.065 4.385 4.320 0.000 0.000 0.213 98 A C 2.105 179.618 177.584 -0.119 0.000 1.255 98 A CA 1.142 53.017 52.037 -0.270 0.000 0.862 98 A CB -0.784 18.045 19.000 -0.285 0.000 0.852 98 A HN 0.307 nan 8.150 nan 0.000 0.484 99 S N -1.182 114.525 115.700 0.011 0.000 2.439 99 S HA 0.018 4.488 4.470 0.000 0.000 0.224 99 S C 0.330 174.954 174.600 0.041 0.000 1.029 99 S CA 0.571 58.791 58.200 0.033 0.000 0.946 99 S CB 0.112 63.352 63.200 0.066 0.000 0.797 99 S HN 0.319 nan 8.310 nan 0.000 0.504 100 D N 2.094 122.538 120.400 0.072 0.000 2.375 100 D HA 0.373 5.013 4.640 0.000 0.000 0.259 100 D C -2.136 174.223 176.300 0.097 0.000 1.235 100 D CA -2.102 51.940 54.000 0.071 0.000 0.924 100 D CB 1.949 42.794 40.800 0.074 0.000 1.143 100 D HN 0.046 nan 8.370 nan 0.000 0.529 101 P HA -0.194 nan 4.420 nan 0.000 0.218 101 P C 1.736 179.122 177.300 0.143 0.000 1.147 101 P CA 0.837 63.994 63.100 0.096 0.000 0.827 101 P CB 0.445 32.177 31.700 0.053 0.000 0.778 102 I N -1.619 119.009 120.570 0.097 0.000 2.141 102 I HA -0.149 4.021 4.170 0.000 0.000 0.236 102 I C 1.417 177.581 176.117 0.077 0.000 1.071 102 I CA 1.558 62.900 61.300 0.070 0.000 1.345 102 I CB -0.458 37.560 38.000 0.030 0.000 1.066 102 I HN -0.229 nan 8.210 nan 0.000 0.406 103 L N 1.227 122.490 121.223 0.066 0.000 2.682 103 L HA 0.076 4.416 4.340 0.000 0.000 0.240 103 L C -0.213 176.710 176.870 0.087 0.000 1.178 103 L CA 0.019 54.877 54.840 0.030 0.000 0.970 103 L CB -0.894 41.144 42.059 -0.035 0.000 1.179 103 L HN 0.333 nan 8.230 nan 0.000 0.435 104 Y N 1.684 121.994 120.300 0.016 0.000 2.504 104 Y HA 0.380 4.930 4.550 0.000 0.000 0.351 104 Y C 0.307 176.226 175.900 0.031 0.000 0.988 104 Y CA -1.208 56.922 58.100 0.051 0.000 1.239 104 Y CB 0.095 38.597 38.460 0.071 0.000 1.128 104 Y HN 0.083 nan 8.280 nan 0.000 0.525 105 R N 8.211 128.495 120.500 -0.359 0.000 2.207 105 R HA 0.355 4.695 4.340 0.000 0.000 0.334 105 R C -2.325 173.582 176.300 -0.655 0.000 1.013 105 R CA -1.714 54.117 56.100 -0.448 0.000 0.858 105 R CB 0.637 30.803 30.300 -0.222 0.000 1.094 105 R HN 0.488 nan 8.270 nan 0.000 0.457 106 P HA 0.254 nan 4.420 nan 0.000 0.279 106 P C -0.827 176.419 177.300 -0.089 0.000 1.282 106 P CA -0.486 62.391 63.100 -0.373 0.000 0.788 106 P CB 0.842 32.438 31.700 -0.173 0.000 1.139 107 V N -0.790 119.114 119.914 -0.017 0.000 2.852 107 V HA 0.535 4.655 4.120 0.000 0.000 0.300 107 V C -0.180 175.886 176.094 -0.047 0.000 1.205 107 V CA -0.829 61.417 62.300 -0.090 0.000 0.940 107 V CB 1.660 33.449 31.823 -0.058 0.000 1.047 107 V HN 0.763 nan 8.190 nan 0.000 0.429 108 A N 3.978 126.727 122.820 -0.118 0.000 2.264 108 A HA 0.932 5.252 4.320 0.000 0.000 0.304 108 A C -0.617 176.934 177.584 -0.055 0.000 1.100 108 A CA -0.529 51.490 52.037 -0.030 0.000 0.839 108 A CB 1.336 20.353 19.000 0.028 0.000 1.121 108 A HN 0.979 nan 8.150 nan 0.000 0.496 109 V N 0.106 119.990 119.914 -0.051 0.000 2.531 109 V HA 0.679 4.799 4.120 0.000 0.000 0.301 109 V C 0.138 176.139 176.094 -0.155 0.000 1.034 109 V CA -0.276 61.975 62.300 -0.082 0.000 0.865 109 V CB 1.115 32.905 31.823 -0.056 0.000 0.995 109 V HN 1.259 nan 8.190 nan 0.000 0.424 110 A N 4.699 127.369 122.820 -0.250 0.000 2.342 110 A HA 0.880 5.200 4.320 0.000 0.000 0.323 110 A C -0.977 176.344 177.584 -0.438 0.000 1.125 110 A CA -0.585 51.143 52.037 -0.514 0.000 0.785 110 A CB 1.452 19.854 19.000 -0.997 0.000 1.221 110 A HN 0.988 nan 8.150 nan 0.000 0.463 111 L N 2.440 123.395 121.223 -0.447 0.000 2.262 111 L HA 0.399 4.739 4.340 0.000 0.000 0.288 111 L C -0.789 175.911 176.870 -0.284 0.000 1.035 111 L CA -0.454 54.178 54.840 -0.347 0.000 0.820 111 L CB 0.815 42.610 42.059 -0.439 0.000 1.204 111 L HN 0.687 nan 8.230 nan 0.000 0.424 112 D N 4.215 124.556 120.400 -0.098 0.000 2.456 112 D HA 0.116 4.756 4.640 0.000 0.000 0.219 112 D C -0.025 176.343 176.300 0.112 0.000 1.126 112 D CA -0.125 53.923 54.000 0.079 0.000 0.890 112 D CB 1.025 41.939 40.800 0.189 0.000 1.025 112 D HN 0.487 nan 8.370 nan 0.000 0.511 113 T N 2.464 117.062 114.554 0.072 0.000 2.856 113 T HA -0.077 4.273 4.350 0.000 0.000 0.329 113 T C 1.411 176.172 174.700 0.102 0.000 1.094 113 T CA 0.210 62.354 62.100 0.073 0.000 1.112 113 T CB 1.227 70.126 68.868 0.051 0.000 1.009 113 T HN 0.427 nan 8.240 nan 0.000 0.550 114 K N 1.098 121.559 120.400 0.102 0.000 2.099 114 K HA 0.189 4.509 4.320 0.000 0.000 0.203 114 K C 0.950 177.566 176.600 0.026 0.000 1.047 114 K CA 0.963 57.290 56.287 0.066 0.000 0.963 114 K CB -0.464 32.081 32.500 0.075 0.000 0.759 114 K HN 0.934 nan 8.250 nan 0.000 0.451 115 G N 1.764 110.581 108.800 0.029 0.000 2.787 115 G HA2 -0.167 3.793 3.960 0.000 0.000 0.685 115 G HA3 -0.167 3.793 3.960 0.000 0.000 0.685 115 G C -2.665 172.191 174.900 -0.073 0.000 1.437 115 G CA -0.492 44.608 45.100 -0.001 0.000 0.872 115 G HN 0.250 nan 8.290 nan 0.000 0.566 116 P HA 0.295 nan 4.420 nan 0.000 0.266 116 P C -0.013 177.089 177.300 -0.331 0.000 1.195 116 P CA 0.594 63.584 63.100 -0.183 0.000 0.768 116 P CB 0.797 32.418 31.700 -0.131 0.000 0.838 117 E N 1.246 121.298 120.200 -0.247 0.000 2.429 117 E HA 0.575 4.925 4.350 0.000 0.000 0.276 117 E C -0.856 175.623 176.600 -0.202 0.000 0.953 117 E CA -0.816 55.442 56.400 -0.237 0.000 0.787 117 E CB 1.954 31.576 29.700 -0.130 0.000 1.307 117 E HN 0.323 nan 8.360 nan 0.000 0.458 118 I N 2.888 123.354 120.570 -0.173 0.000 2.468 118 I HA 0.382 4.552 4.170 0.000 0.000 0.284 118 I C -0.530 175.554 176.117 -0.054 0.000 1.038 118 I CA -0.617 60.609 61.300 -0.123 0.000 1.083 118 I CB 1.049 38.960 38.000 -0.148 0.000 1.223 118 I HN 0.241 nan 8.210 nan 0.000 0.443 119 R N 2.792 123.278 120.500 -0.024 0.000 2.854 119 R HA 0.644 4.984 4.340 0.000 0.000 0.271 119 R C -0.250 176.076 176.300 0.042 0.000 0.994 119 R CA -0.786 55.326 56.100 0.020 0.000 0.945 119 R CB 1.801 32.128 30.300 0.045 0.000 1.194 119 R HN 0.571 nan 8.270 nan 0.000 0.476 120 T N -1.627 112.980 114.554 0.088 0.000 2.847 120 T HA 0.435 4.785 4.350 0.000 0.000 0.279 120 T C 0.828 175.695 174.700 0.278 0.000 0.984 120 T CA -0.159 62.032 62.100 0.152 0.000 0.988 120 T CB 1.360 70.307 68.868 0.132 0.000 1.040 120 T HN 0.622 nan 8.240 nan 0.000 0.528 121 G N 0.715 109.781 108.800 0.443 0.000 2.531 121 G HA2 0.492 4.452 3.960 0.000 0.000 0.253 121 G HA3 0.492 4.452 3.960 0.000 0.000 0.253 121 G C -0.564 174.457 174.900 0.201 0.000 1.439 121 G CA -0.912 44.443 45.100 0.424 0.000 1.056 121 G HN 0.661 nan 8.290 nan 0.000 0.555 122 L N 0.490 121.780 121.223 0.111 0.000 2.349 122 L HA 0.370 4.710 4.340 0.000 0.000 0.275 122 L C 0.452 177.366 176.870 0.074 0.000 1.115 122 L CA -0.248 54.632 54.840 0.065 0.000 0.820 122 L CB 1.063 43.129 42.059 0.011 0.000 1.135 122 L HN 0.277 nan 8.230 nan 0.000 0.445 123 I N 4.692 125.304 120.570 0.069 0.000 2.312 123 I HA 0.073 4.243 4.170 0.000 0.000 0.291 123 I C 0.628 176.775 176.117 0.050 0.000 1.031 123 I CA -0.514 60.828 61.300 0.070 0.000 1.293 123 I CB 0.266 38.309 38.000 0.071 0.000 1.403 123 I HN 0.629 nan 8.210 nan 0.000 0.484 124 K N 4.825 125.254 120.400 0.049 0.000 3.177 124 K HA -0.235 4.085 4.320 0.000 0.000 0.266 124 K C 1.024 177.633 176.600 0.016 0.000 0.937 124 K CA 0.534 56.840 56.287 0.033 0.000 0.702 124 K CB -1.643 30.877 32.500 0.033 0.000 1.365 124 K HN 1.136 nan 8.250 nan 0.000 0.466 125 G N -0.242 108.562 108.800 0.006 0.000 2.280 125 G HA2 -0.399 3.561 3.960 0.000 0.000 0.282 125 G HA3 -0.399 3.561 3.960 0.000 0.000 0.282 125 G C 0.061 174.958 174.900 -0.005 0.000 1.000 125 G CA 0.935 46.029 45.100 -0.010 0.000 0.751 125 G HN 0.541 nan 8.290 nan 0.000 0.515 126 S N -1.723 113.980 115.700 0.006 0.000 2.568 126 S HA 0.693 5.163 4.470 0.000 0.000 0.302 126 S C 1.144 175.752 174.600 0.013 0.000 1.082 126 S CA 0.503 58.707 58.200 0.007 0.000 1.009 126 S CB 1.685 64.891 63.200 0.009 0.000 1.069 126 S HN 0.987 nan 8.310 nan 0.000 0.500 127 G N 0.311 109.117 108.800 0.010 0.000 3.159 127 G HA2 0.147 4.107 3.960 0.000 0.000 0.232 127 G HA3 0.147 4.107 3.960 0.000 0.000 0.232 127 G C 0.750 175.659 174.900 0.015 0.000 1.116 127 G CA 0.453 45.563 45.100 0.016 0.000 0.767 127 G HN 0.790 nan 8.290 nan 0.000 0.547 128 T N -2.832 111.729 114.554 0.012 0.000 3.040 128 T HA 0.623 4.973 4.350 0.000 0.000 0.266 128 T C 1.012 175.719 174.700 0.011 0.000 1.005 128 T CA 0.418 62.522 62.100 0.007 0.000 0.906 128 T CB 0.912 69.779 68.868 -0.001 0.000 1.082 128 T HN 0.271 nan 8.240 nan 0.000 0.531 129 A N 1.911 124.744 122.820 0.021 0.000 2.287 129 A HA 0.721 5.041 4.320 0.000 0.000 0.273 129 A C 0.155 177.766 177.584 0.046 0.000 1.091 129 A CA -0.727 51.328 52.037 0.030 0.000 0.817 129 A CB 0.548 19.567 19.000 0.033 0.000 1.069 129 A HN 0.711 nan 8.150 nan 0.000 0.492 130 E N -1.100 119.136 120.200 0.061 0.000 2.445 130 E HA 0.698 5.048 4.350 0.000 0.000 0.279 130 E C -1.683 174.993 176.600 0.126 0.000 1.018 130 E CA -0.930 55.528 56.400 0.097 0.000 0.816 130 E CB 1.756 31.515 29.700 0.099 0.000 1.356 130 E HN 0.449 nan 8.360 nan 0.000 0.462 131 V N 0.070 120.080 119.914 0.160 0.000 2.971 131 V HA 0.395 4.515 4.120 0.000 0.000 0.309 131 V C -0.826 175.348 176.094 0.133 0.000 1.130 131 V CA -0.965 61.417 62.300 0.137 0.000 0.964 131 V CB 1.774 33.645 31.823 0.079 0.000 1.029 131 V HN 0.818 nan 8.190 nan 0.000 0.427 132 E N 2.745 122.978 120.200 0.055 0.000 2.227 132 E HA 0.531 4.881 4.350 0.000 0.000 0.282 132 E C -1.467 175.034 176.600 -0.166 0.000 1.015 132 E CA -0.502 55.782 56.400 -0.194 0.000 0.823 132 E CB 1.038 30.587 29.700 -0.251 0.000 1.081 132 E HN 0.525 nan 8.360 nan 0.000 0.396 133 L N 5.121 126.206 121.223 -0.230 0.000 2.313 133 L HA 0.448 4.788 4.340 0.000 0.000 0.283 133 L C -0.014 176.753 176.870 -0.171 0.000 1.013 133 L CA -0.744 54.010 54.840 -0.143 0.000 0.816 133 L CB 1.269 43.273 42.059 -0.092 0.000 1.236 133 L HN 0.485 nan 8.230 nan 0.000 0.419 134 K N 2.382 122.713 120.400 -0.116 0.000 2.185 134 K HA 0.467 4.787 4.320 0.000 0.000 0.240 134 K C -0.532 176.027 176.600 -0.067 0.000 0.983 134 K CA -1.054 55.171 56.287 -0.104 0.000 0.873 134 K CB 1.964 34.413 32.500 -0.084 0.000 1.118 134 K HN 0.349 nan 8.250 nan 0.000 0.441 135 K N 0.341 120.707 120.400 -0.057 0.000 2.368 135 K HA 0.067 4.387 4.320 0.000 0.000 0.282 135 K C 0.602 177.186 176.600 -0.025 0.000 1.035 135 K CA 1.085 57.350 56.287 -0.036 0.000 0.973 135 K CB 0.410 32.892 32.500 -0.030 0.000 0.957 135 K HN 0.919 nan 8.250 nan 0.000 0.474 136 G N 1.749 110.538 108.800 -0.017 0.000 2.213 136 G HA2 -0.247 3.713 3.960 0.000 0.000 0.226 136 G HA3 -0.247 3.713 3.960 0.000 0.000 0.226 136 G C 0.127 175.020 174.900 -0.011 0.000 0.992 136 G CA -0.033 45.060 45.100 -0.011 0.000 0.632 136 G HN 0.838 nan 8.290 nan 0.000 0.511 137 A N 0.116 122.927 122.820 -0.016 0.000 2.366 137 A HA 0.705 5.025 4.320 0.000 0.000 0.249 137 A C 0.598 178.177 177.584 -0.009 0.000 1.084 137 A CA 1.142 53.170 52.037 -0.016 0.000 0.794 137 A CB 0.412 19.398 19.000 -0.023 0.000 1.034 137 A HN 0.759 nan 8.150 nan 0.000 0.491 138 T N 1.171 115.720 114.554 -0.009 0.000 2.795 138 T HA 0.533 4.883 4.350 0.000 0.000 0.282 138 T C -0.654 174.041 174.700 -0.008 0.000 0.980 138 T CA -0.010 62.087 62.100 -0.005 0.000 1.012 138 T CB 0.678 69.541 68.868 -0.008 0.000 0.936 138 T HN 0.553 nan 8.240 nan 0.000 0.457 139 L N 3.048 124.272 121.223 0.001 0.000 2.409 139 L HA 0.593 4.933 4.340 0.000 0.000 0.272 139 L C -0.588 176.288 176.870 0.009 0.000 0.980 139 L CA -0.711 54.130 54.840 0.001 0.000 0.826 139 L CB 1.656 43.719 42.059 0.008 0.000 1.268 139 L HN 0.467 nan 8.230 nan 0.000 0.407 140 K N 5.469 125.863 120.400 -0.009 0.000 2.185 140 K HA 0.570 4.890 4.320 0.000 0.000 0.269 140 K C -1.291 175.321 176.600 0.021 0.000 0.987 140 K CA -0.505 55.782 56.287 -0.000 0.000 0.865 140 K CB 1.089 33.542 32.500 -0.079 0.000 1.090 140 K HN 0.662 nan 8.250 nan 0.000 0.450 141 I N 2.972 123.586 120.570 0.072 0.000 2.377 141 I HA 0.190 4.360 4.170 0.000 0.000 0.293 141 I C 0.095 176.279 176.117 0.112 0.000 0.987 141 I CA -0.459 60.883 61.300 0.069 0.000 1.185 141 I CB 2.079 40.106 38.000 0.045 0.000 1.341 141 I HN 0.688 nan 8.210 nan 0.000 0.455 142 T N 5.559 120.177 114.554 0.108 0.000 2.916 142 T HA 0.595 4.945 4.350 0.000 0.000 0.292 142 T C 0.184 174.974 174.700 0.149 0.000 1.064 142 T CA -0.526 61.680 62.100 0.176 0.000 1.011 142 T CB 1.338 70.318 68.868 0.186 0.000 1.152 142 T HN 0.481 nan 8.240 nan 0.000 0.510 143 L N 1.125 122.469 121.223 0.201 0.000 2.808 143 L HA 0.407 4.747 4.340 0.000 0.000 0.246 143 L C 0.440 177.636 176.870 0.543 0.000 1.153 143 L CA -0.280 54.662 54.840 0.170 0.000 0.956 143 L CB 0.409 42.499 42.059 0.052 0.000 1.270 143 L HN 0.537 nan 8.230 nan 0.000 0.528 144 D N 1.291 122.027 120.400 0.559 0.000 2.359 144 D HA 0.004 4.644 4.640 0.000 0.000 0.250 144 D C 1.008 177.506 176.300 0.331 0.000 1.264 144 D CA 0.231 54.501 54.000 0.449 0.000 0.911 144 D CB 0.503 41.553 40.800 0.417 0.000 1.056 144 D HN 0.126 nan 8.370 nan 0.000 0.499 145 N N 2.851 121.653 118.700 0.170 0.000 2.314 145 N HA -0.266 4.474 4.740 0.000 0.000 0.191 145 N C 1.490 176.788 175.510 -0.354 0.000 1.007 145 N CA 1.016 53.951 53.050 -0.192 0.000 0.883 145 N CB 0.156 38.599 38.487 -0.074 0.000 0.969 145 N HN 0.485 nan 8.380 nan 0.000 0.441 146 A N 0.789 123.451 122.820 -0.263 0.000 1.948 146 A HA -0.181 4.139 4.320 0.000 0.000 0.220 146 A C 1.043 178.190 177.584 -0.729 0.000 1.177 146 A CA 1.331 53.066 52.037 -0.504 0.000 0.636 146 A CB -0.720 17.893 19.000 -0.644 0.000 0.815 146 A HN 0.383 nan 8.150 nan 0.000 0.449 147 Y N -1.038 119.138 120.300 -0.207 0.000 2.645 147 Y HA 0.317 4.867 4.550 0.000 0.000 0.307 147 Y C 1.630 177.259 175.900 -0.452 0.000 1.151 147 Y CA 0.212 58.199 58.100 -0.188 0.000 1.291 147 Y CB -0.221 38.256 38.460 0.029 0.000 1.135 147 Y HN 0.396 nan 8.280 nan 0.000 0.523 148 M N -0.450 118.702 119.600 -0.747 0.000 2.506 148 M HA -0.022 4.458 4.480 0.000 0.000 0.260 148 M C 0.511 176.557 176.300 -0.423 0.000 1.104 148 M CA 1.759 56.388 55.300 -1.119 0.000 1.112 148 M CB 0.405 32.089 32.600 -1.527 0.000 1.401 148 M HN 0.264 nan 8.290 nan 0.000 0.473 149 E N -0.442 119.600 120.200 -0.263 0.000 2.641 149 E HA 0.118 4.468 4.350 0.000 0.000 0.224 149 E C -0.161 176.410 176.600 -0.049 0.000 0.951 149 E CA -0.023 56.303 56.400 -0.123 0.000 1.102 149 E CB 0.811 30.433 29.700 -0.130 0.000 1.091 149 E HN 0.339 nan 8.360 nan 0.000 0.507 150 K N 0.467 120.858 120.400 -0.015 0.000 2.861 150 K HA 0.279 4.599 4.320 0.000 0.000 0.210 150 K C -0.719 175.994 176.600 0.188 0.000 1.112 150 K CA -0.293 56.039 56.287 0.076 0.000 1.076 150 K CB 0.533 33.062 32.500 0.049 0.000 0.853 150 K HN -0.005 nan 8.250 nan 0.000 0.463 151 C N 2.767 122.159 119.300 0.153 0.000 2.632 151 C HA 0.145 4.605 4.460 0.000 0.000 0.415 151 C C 0.631 175.687 174.990 0.110 0.000 1.332 151 C CA -0.291 58.822 59.018 0.159 0.000 1.874 151 C CB -0.680 27.157 27.740 0.162 0.000 2.596 151 C HN 0.678 nan 8.230 nan 0.000 0.590 152 D N 1.144 121.597 120.400 0.089 0.000 2.837 152 D HA 0.212 4.852 4.640 0.000 0.000 0.294 152 D C 0.546 176.872 176.300 0.043 0.000 1.158 152 D CA -0.574 53.463 54.000 0.062 0.000 1.073 152 D CB 0.168 41.000 40.800 0.054 0.000 1.419 152 D HN 0.498 nan 8.370 nan 0.000 0.584 153 E N -0.344 119.873 120.200 0.028 0.000 2.511 153 E HA -0.035 4.315 4.350 0.000 0.000 0.196 153 E C -0.102 176.497 176.600 -0.001 0.000 1.066 153 E CA 0.587 56.994 56.400 0.013 0.000 0.871 153 E CB -0.542 29.161 29.700 0.005 0.000 0.863 153 E HN 0.505 nan 8.360 nan 0.000 0.520 154 N N -0.438 118.258 118.700 -0.006 0.000 2.419 154 N HA 0.256 4.996 4.740 0.000 0.000 0.216 154 N C -0.343 175.136 175.510 -0.053 0.000 1.118 154 N CA -0.136 52.896 53.050 -0.030 0.000 0.850 154 N CB 0.975 39.441 38.487 -0.036 0.000 1.292 154 N HN -0.024 nan 8.380 nan 0.000 0.467 155 I N 1.417 121.957 120.570 -0.049 0.000 2.436 155 I HA 0.332 4.502 4.170 0.000 0.000 0.289 155 I C -1.309 174.821 176.117 0.023 0.000 1.010 155 I CA -0.375 60.875 61.300 -0.084 0.000 1.098 155 I CB 2.480 40.332 38.000 -0.247 0.000 1.266 155 I HN -0.065 nan 8.210 nan 0.000 0.434 156 L N 5.997 127.253 121.223 0.054 0.000 2.376 156 L HA 0.473 4.813 4.340 0.000 0.000 0.275 156 L C -1.690 175.299 176.870 0.199 0.000 0.987 156 L CA -0.525 54.392 54.840 0.128 0.000 0.828 156 L CB 1.936 44.045 42.059 0.084 0.000 1.249 156 L HN 0.721 nan 8.230 nan 0.000 0.409 157 W N 6.075 127.418 121.300 0.072 0.000 2.570 157 W HA 0.619 5.279 4.660 0.000 0.000 0.337 157 W C -1.595 174.976 176.519 0.086 0.000 1.067 157 W CA -0.419 56.982 57.345 0.094 0.000 1.229 157 W CB 1.352 30.894 29.460 0.138 0.000 1.355 157 W HN 0.194 nan 8.180 nan 0.000 0.555 158 L N 4.686 125.356 121.223 -0.922 0.000 2.371 158 L HA 0.232 4.572 4.340 0.000 0.000 0.262 158 L C 0.662 176.735 176.870 -1.329 0.000 1.006 158 L CA -0.660 53.686 54.840 -0.824 0.000 0.818 158 L CB 1.898 43.727 42.059 -0.383 0.000 1.354 158 L HN 0.619 nan 8.230 nan 0.000 0.415 159 D N -0.279 119.731 120.400 -0.650 0.000 2.325 159 D HA -0.103 4.537 4.640 0.000 0.000 0.234 159 D C -0.298 175.960 176.300 -0.069 0.000 1.122 159 D CA 0.168 53.970 54.000 -0.329 0.000 0.850 159 D CB -0.127 40.655 40.800 -0.030 0.000 0.921 159 D HN 0.289 nan 8.370 nan 0.000 0.513 160 Y N 1.678 121.814 120.300 -0.274 0.000 2.919 160 Y HA 0.299 4.849 4.550 -0.000 0.000 0.341 160 Y C 1.178 176.995 175.900 -0.138 0.000 1.045 160 Y CA -1.716 56.291 58.100 -0.155 0.000 1.218 160 Y CB 0.474 38.861 38.460 -0.120 0.000 1.137 160 Y HN -0.243 nan 8.280 nan 0.000 0.577 161 K N 1.597 121.897 120.400 -0.168 0.000 2.127 161 K HA -0.211 4.109 4.320 0.000 0.000 0.208 161 K C 0.480 176.854 176.600 -0.376 0.000 1.047 161 K CA 1.471 57.632 56.287 -0.210 0.000 0.927 161 K CB 0.222 32.683 32.500 -0.064 0.000 0.716 161 K HN 0.552 nan 8.250 nan 0.000 0.450 162 N N 1.045 119.350 118.700 -0.658 0.000 2.322 162 N HA -0.007 4.733 4.740 0.000 0.000 0.216 162 N C 1.225 176.295 175.510 -0.733 0.000 1.144 162 N CA 0.062 52.765 53.050 -0.578 0.000 0.830 162 N CB 0.183 38.470 38.487 -0.334 0.000 1.034 162 N HN 0.265 nan 8.380 nan 0.000 0.484 163 I N 0.099 120.155 120.570 -0.857 0.000 2.264 163 I HA -0.306 3.864 4.170 0.000 0.000 0.248 163 I C 1.503 177.477 176.117 -0.238 0.000 1.111 163 I CA 1.212 62.217 61.300 -0.492 0.000 1.382 163 I CB 0.173 38.012 38.000 -0.269 0.000 1.060 163 I HN 0.142 nan 8.210 nan 0.000 0.418 164 C N 0.838 120.002 119.300 -0.227 0.000 2.432 164 C HA -0.067 4.393 4.460 0.000 0.000 0.282 164 C C 2.523 177.431 174.990 -0.137 0.000 1.388 164 C CA 0.327 59.243 59.018 -0.169 0.000 1.777 164 C CB -1.185 26.443 27.740 -0.187 0.000 1.882 164 C HN 0.448 nan 8.230 nan 0.000 0.520 165 K N 0.741 121.054 120.400 -0.145 0.000 2.116 165 K HA -0.013 4.307 4.320 0.000 0.000 0.203 165 K C 1.814 178.375 176.600 -0.065 0.000 1.052 165 K CA 1.039 57.267 56.287 -0.100 0.000 0.952 165 K CB -0.235 32.207 32.500 -0.096 0.000 0.729 165 K HN 0.395 nan 8.250 nan 0.000 0.446 166 V N 1.107 120.986 119.914 -0.057 0.000 3.235 166 V HA -0.002 4.118 4.120 0.000 0.000 0.259 166 V C 0.974 177.066 176.094 -0.004 0.000 1.133 166 V CA 0.491 62.794 62.300 0.005 0.000 1.128 166 V CB 0.430 32.315 31.823 0.103 0.000 0.757 166 V HN -0.085 nan 8.190 nan 0.000 0.469 167 V N 1.204 121.099 119.914 -0.031 0.000 2.960 167 V HA 0.571 4.691 4.120 0.000 0.000 0.315 167 V C -1.068 174.996 176.094 -0.049 0.000 1.087 167 V CA -0.686 61.594 62.300 -0.034 0.000 0.982 167 V CB 2.426 34.233 31.823 -0.026 0.000 1.039 167 V HN 0.597 nan 8.190 nan 0.000 0.437 168 D N 1.432 121.805 120.400 -0.045 0.000 2.531 168 D HA 0.424 5.064 4.640 0.000 0.000 0.244 168 D C -0.516 175.761 176.300 -0.039 0.000 1.090 168 D CA -0.700 53.273 54.000 -0.046 0.000 0.989 168 D CB 1.630 42.404 40.800 -0.042 0.000 1.433 168 D HN 0.223 nan 8.370 nan 0.000 0.492 169 V N 0.397 120.290 119.914 -0.035 0.000 2.694 169 V HA 0.368 4.488 4.120 0.000 0.000 0.306 169 V C 1.798 177.879 176.094 -0.022 0.000 1.054 169 V CA 1.914 64.200 62.300 -0.025 0.000 1.161 169 V CB 0.211 32.022 31.823 -0.019 0.000 0.916 169 V HN 1.069 nan 8.190 nan 0.000 0.490 170 G N 3.717 112.508 108.800 -0.016 0.000 2.253 170 G HA2 -0.275 3.685 3.960 0.000 0.000 0.251 170 G HA3 -0.275 3.685 3.960 0.000 0.000 0.251 170 G C 0.662 175.548 174.900 -0.023 0.000 0.998 170 G CA 0.382 45.472 45.100 -0.015 0.000 0.621 170 G HN 0.904 nan 8.290 nan 0.000 0.524 171 S N 0.107 115.788 115.700 -0.032 0.000 2.587 171 S HA 0.498 4.968 4.470 0.000 0.000 0.260 171 S C 0.468 175.043 174.600 -0.042 0.000 1.353 171 S CA 0.577 58.749 58.200 -0.047 0.000 0.995 171 S CB 0.568 63.739 63.200 -0.049 0.000 0.912 171 S HN 0.464 nan 8.310 nan 0.000 0.568 172 K N 0.985 121.338 120.400 -0.077 0.000 2.259 172 K HA 0.611 4.931 4.320 0.000 0.000 0.252 172 K C -1.641 174.891 176.600 -0.114 0.000 0.936 172 K CA -0.689 55.554 56.287 -0.074 0.000 0.810 172 K CB 1.812 34.262 32.500 -0.083 0.000 1.143 172 K HN 0.350 nan 8.250 nan 0.000 0.427 173 V N 4.070 123.989 119.914 0.010 0.000 2.487 173 V HA 0.346 4.466 4.120 0.000 0.000 0.298 173 V C -1.119 175.154 176.094 0.298 0.000 1.028 173 V CA -0.931 61.407 62.300 0.063 0.000 0.860 173 V CB 0.904 32.767 31.823 0.067 0.000 0.991 173 V HN 0.592 nan 8.190 nan 0.000 0.427 174 Y N 3.299 123.618 120.300 0.030 0.000 2.360 174 Y HA 0.758 5.308 4.550 -0.000 0.000 0.337 174 Y C 0.030 175.945 175.900 0.025 0.000 1.039 174 Y CA -1.529 56.589 58.100 0.029 0.000 1.109 174 Y CB 2.191 40.672 38.460 0.035 0.000 1.201 174 Y HN 0.364 nan 8.280 nan 0.000 0.458 175 V N 2.602 122.609 119.914 0.156 0.000 2.686 175 V HA 0.323 4.443 4.120 0.000 0.000 0.306 175 V C -0.592 175.530 176.094 0.047 0.000 1.065 175 V CA -1.230 61.123 62.300 0.089 0.000 0.894 175 V CB 1.738 33.605 31.823 0.074 0.000 1.004 175 V HN 0.785 nan 8.190 nan 0.000 0.424 176 D N 3.392 123.821 120.400 0.048 0.000 2.760 176 D HA -0.135 4.505 4.640 0.000 0.000 0.244 176 D C 0.003 176.316 176.300 0.022 0.000 1.096 176 D CA 1.123 55.145 54.000 0.037 0.000 0.716 176 D CB -0.930 39.894 40.800 0.040 0.000 1.075 176 D HN 0.943 nan 8.370 nan 0.000 0.434 177 D N -0.881 119.538 120.400 0.031 0.000 2.746 177 D HA -0.102 4.538 4.640 0.000 0.000 0.241 177 D C 1.251 177.541 176.300 -0.016 0.000 1.140 177 D CA 2.100 56.116 54.000 0.026 0.000 0.707 177 D CB -1.544 39.272 40.800 0.026 0.000 1.034 177 D HN 1.010 nan 8.370 nan 0.000 0.423 178 G N -0.782 107.989 108.800 -0.049 0.000 2.180 178 G HA2 -0.403 3.557 3.960 0.000 0.000 0.263 178 G HA3 -0.403 3.557 3.960 0.000 0.000 0.263 178 G C 1.121 175.845 174.900 -0.293 0.000 0.989 178 G CA 0.757 45.675 45.100 -0.303 0.000 0.692 178 G HN 0.521 nan 8.290 nan 0.000 0.526 179 L N -0.880 120.262 121.223 -0.135 0.000 2.141 179 L HA 0.373 4.713 4.340 0.000 0.000 0.209 179 L C 1.245 178.063 176.870 -0.087 0.000 1.094 179 L CA 1.374 56.163 54.840 -0.084 0.000 0.763 179 L CB 0.110 42.157 42.059 -0.020 0.000 0.908 179 L HN 0.397 nan 8.230 nan 0.000 0.437 180 I N -1.653 118.865 120.570 -0.086 0.000 2.509 180 I HA 0.251 4.421 4.170 0.000 0.000 0.293 180 I C -0.397 175.683 176.117 -0.062 0.000 1.020 180 I CA -0.157 61.108 61.300 -0.059 0.000 1.088 180 I CB 2.001 39.993 38.000 -0.013 0.000 1.267 180 I HN -0.140 nan 8.210 nan 0.000 0.430 181 S N 7.245 122.927 115.700 -0.029 0.000 2.561 181 S HA 0.788 5.258 4.470 0.000 0.000 0.303 181 S C -1.085 173.570 174.600 0.090 0.000 1.110 181 S CA -0.692 57.548 58.200 0.067 0.000 1.034 181 S CB 0.704 63.939 63.200 0.058 0.000 1.010 181 S HN 0.464 nan 8.310 nan 0.000 0.482 182 L N 2.937 124.235 121.223 0.125 0.000 2.325 182 L HA 0.653 4.993 4.340 0.000 0.000 0.278 182 L C -0.083 176.835 176.870 0.080 0.000 1.023 182 L CA -0.869 54.020 54.840 0.080 0.000 0.811 182 L CB 1.677 43.778 42.059 0.070 0.000 1.249 182 L HN 0.725 nan 8.230 nan 0.000 0.431 183 Q N 1.437 121.268 119.800 0.052 0.000 2.271 183 Q HA 0.423 4.763 4.340 0.000 0.000 0.258 183 Q C -1.242 174.774 176.000 0.026 0.000 0.936 183 Q CA -0.517 55.308 55.803 0.038 0.000 0.909 183 Q CB 1.939 30.695 28.738 0.030 0.000 1.253 183 Q HN 0.456 nan 8.270 nan 0.000 0.440 184 V N 6.417 126.340 119.914 0.015 0.000 2.405 184 V HA 0.092 4.212 4.120 0.000 0.000 0.264 184 V C 0.935 177.034 176.094 0.008 0.000 1.048 184 V CA 0.225 62.531 62.300 0.010 0.000 0.966 184 V CB 0.681 32.501 31.823 -0.004 0.000 1.015 184 V HN 0.929 nan 8.190 nan 0.000 0.477 185 K N 4.704 125.114 120.400 0.018 0.000 2.313 185 K HA 0.188 4.508 4.320 0.000 0.000 0.197 185 K C 0.545 177.157 176.600 0.021 0.000 1.061 185 K CA 0.235 56.533 56.287 0.018 0.000 0.980 185 K CB 0.737 33.248 32.500 0.019 0.000 0.888 185 K HN 0.610 nan 8.250 nan 0.000 0.502 186 Q N 1.228 121.048 119.800 0.034 0.000 2.268 186 Q HA 0.202 4.542 4.340 0.000 0.000 0.266 186 Q C -1.930 174.078 176.000 0.013 0.000 1.006 186 Q CA -0.665 55.161 55.803 0.038 0.000 0.824 186 Q CB 2.204 30.991 28.738 0.081 0.000 1.306 186 Q HN 0.137 nan 8.270 nan 0.000 0.424 187 K N 2.380 122.749 120.400 -0.052 0.000 2.159 187 K HA 0.712 5.032 4.320 0.000 0.000 0.266 187 K C -0.507 175.922 176.600 -0.284 0.000 0.975 187 K CA -0.245 55.951 56.287 -0.151 0.000 0.865 187 K CB 1.301 33.724 32.500 -0.128 0.000 1.087 187 K HN 0.677 nan 8.250 nan 0.000 0.446 188 G N 2.356 110.782 108.800 -0.622 0.000 3.107 188 G HA2 0.412 4.372 3.960 0.000 0.000 0.232 188 G HA3 0.412 4.372 3.960 0.000 0.000 0.232 188 G C -2.131 172.381 174.900 -0.647 0.000 1.339 188 G CA -0.994 43.511 45.100 -0.991 0.000 1.033 188 G HN 0.551 nan 8.290 nan 0.000 0.567 189 P HA 0.144 nan 4.420 nan 0.000 0.226 189 P C 0.159 177.335 177.300 -0.207 0.000 1.160 189 P CA 1.161 64.102 63.100 -0.266 0.000 0.837 189 P CB 0.480 32.108 31.700 -0.121 0.000 0.860 190 D N -1.718 118.566 120.400 -0.193 0.000 2.562 190 D HA 0.188 4.828 4.640 0.000 0.000 0.246 190 D C -0.023 176.330 176.300 0.088 0.000 1.347 190 D CA -0.581 53.411 54.000 -0.013 0.000 0.800 190 D CB -0.209 40.644 40.800 0.089 0.000 1.111 190 D HN 0.157 nan 8.370 nan 0.000 0.508 191 F N -1.158 118.780 119.950 -0.020 0.000 2.686 191 F HA 0.746 5.273 4.527 -0.000 0.000 0.311 191 F C -2.333 173.448 175.800 -0.032 0.000 1.128 191 F CA -1.519 56.466 58.000 -0.025 0.000 0.946 191 F CB 1.076 40.064 39.000 -0.020 0.000 1.336 191 F HN -0.189 nan 8.300 nan 0.000 0.457 192 L N 2.219 123.554 121.223 0.187 0.000 2.388 192 L HA 0.747 5.087 4.340 0.000 0.000 0.264 192 L C -0.992 176.019 176.870 0.235 0.000 0.998 192 L CA -1.132 53.765 54.840 0.095 0.000 0.817 192 L CB 2.353 44.420 42.059 0.013 0.000 1.338 192 L HN 0.666 nan 8.230 nan 0.000 0.414 193 V N 1.539 121.568 119.914 0.192 0.000 2.407 193 V HA 0.743 4.863 4.120 0.000 0.000 0.278 193 V C 0.237 176.375 176.094 0.074 0.000 1.037 193 V CA -0.506 61.881 62.300 0.144 0.000 0.900 193 V CB 1.335 33.244 31.823 0.142 0.000 0.983 193 V HN 0.913 nan 8.190 nan 0.000 0.459 194 T N 1.067 115.653 114.554 0.054 0.000 2.924 194 T HA 0.755 5.105 4.350 0.000 0.000 0.291 194 T C -0.748 173.968 174.700 0.026 0.000 1.045 194 T CA -0.838 61.285 62.100 0.038 0.000 1.015 194 T CB 2.355 71.246 68.868 0.039 0.000 1.103 194 T HN 0.799 nan 8.240 nan 0.000 0.496 195 E N 1.107 121.321 120.200 0.024 0.000 2.191 195 E HA 0.515 4.865 4.350 0.000 0.000 0.263 195 E C -1.212 175.398 176.600 0.017 0.000 0.881 195 E CA -0.998 55.411 56.400 0.016 0.000 0.757 195 E CB 1.591 31.299 29.700 0.013 0.000 1.147 195 E HN 0.503 nan 8.360 nan 0.000 0.414 196 V N 4.962 124.880 119.914 0.007 0.000 2.450 196 V HA 0.033 4.153 4.120 0.000 0.000 0.281 196 V C 0.249 176.344 176.094 0.001 0.000 1.019 196 V CA 0.428 62.730 62.300 0.003 0.000 1.062 196 V CB 0.463 32.277 31.823 -0.014 0.000 0.979 196 V HN 0.719 nan 8.190 nan 0.000 0.477 197 E N 5.797 126.004 120.200 0.012 0.000 2.165 197 E HA 0.309 4.659 4.350 0.000 0.000 0.266 197 E C -0.531 176.070 176.600 0.001 0.000 0.889 197 E CA -0.746 55.660 56.400 0.011 0.000 0.756 197 E CB 0.745 30.461 29.700 0.027 0.000 1.131 197 E HN 0.784 nan 8.360 nan 0.000 0.411 198 N N 2.177 120.869 118.700 -0.014 0.000 2.411 198 N HA -0.141 4.598 4.740 0.000 0.000 0.286 198 N C -0.563 174.922 175.510 -0.041 0.000 1.382 198 N CA 0.967 54.000 53.050 -0.029 0.000 0.630 198 N CB -0.376 38.088 38.487 -0.038 0.000 0.904 198 N HN 0.702 nan 8.380 nan 0.000 0.516 199 G N 0.082 108.849 108.800 -0.056 0.000 2.671 199 G HA2 0.936 4.896 3.960 0.000 0.000 0.275 199 G HA3 0.936 4.896 3.960 0.000 0.000 0.275 199 G C 0.474 175.311 174.900 -0.105 0.000 1.368 199 G CA 0.050 45.102 45.100 -0.081 0.000 1.044 199 G HN 0.794 nan 8.290 nan 0.000 0.543 200 G N -2.095 106.599 108.800 -0.177 0.000 2.356 200 G HA2 0.395 4.355 3.960 0.000 0.000 0.281 200 G HA3 0.395 4.355 3.960 0.000 0.000 0.281 200 G C -1.799 172.869 174.900 -0.386 0.000 1.246 200 G CA -0.883 44.079 45.100 -0.230 0.000 0.889 200 G HN 0.485 nan 8.290 nan 0.000 0.486 201 F N 1.539 121.493 119.950 0.005 0.000 2.334 201 F HA 0.534 5.061 4.527 -0.000 0.000 0.367 201 F C 0.673 176.481 175.800 0.014 0.000 1.115 201 F CA -0.622 57.384 58.000 0.010 0.000 1.116 201 F CB 1.611 40.616 39.000 0.008 0.000 1.230 201 F HN 0.198 nan 8.300 nan 0.000 0.484 202 L N 3.602 124.910 121.223 0.141 0.000 2.349 202 L HA 0.594 4.934 4.340 0.000 0.000 0.275 202 L C 0.445 177.387 176.870 0.120 0.000 1.115 202 L CA 0.228 55.132 54.840 0.106 0.000 0.820 202 L CB 0.740 42.842 42.059 0.070 0.000 1.135 202 L HN 0.758 nan 8.230 nan 0.000 0.445 203 G N 2.624 111.484 108.800 0.100 0.000 3.175 203 G HA2 0.394 4.354 3.960 0.000 0.000 0.255 203 G HA3 0.394 4.354 3.960 0.000 0.000 0.255 203 G C -1.161 173.786 174.900 0.079 0.000 1.352 203 G CA -0.417 44.734 45.100 0.085 0.000 1.037 203 G HN 0.546 nan 8.290 nan 0.000 0.556 204 S N -0.178 115.563 115.700 0.068 0.000 2.554 204 S HA 0.386 4.856 4.470 0.000 0.000 0.278 204 S C 0.066 174.710 174.600 0.074 0.000 1.242 204 S CA -0.370 57.874 58.200 0.072 0.000 1.051 204 S CB 0.860 64.094 63.200 0.057 0.000 0.986 204 S HN 0.529 nan 8.310 nan 0.000 0.502 205 K N 1.156 121.613 120.400 0.094 0.000 3.257 205 K HA -0.152 4.168 4.320 0.000 0.000 0.270 205 K C -0.463 176.180 176.600 0.072 0.000 0.984 205 K CA 0.595 56.938 56.287 0.092 0.000 0.739 205 K CB -0.806 31.739 32.500 0.076 0.000 1.351 205 K HN 0.344 nan 8.250 nan 0.000 0.463 206 K N -0.045 120.398 120.400 0.073 0.000 2.132 206 K HA 0.390 4.710 4.320 0.000 0.000 0.241 206 K C 0.820 177.447 176.600 0.046 0.000 1.000 206 K CA -0.281 56.040 56.287 0.057 0.000 0.911 206 K CB 0.984 33.519 32.500 0.059 0.000 1.093 206 K HN 0.283 nan 8.250 nan 0.000 0.460 207 G N 0.002 108.824 108.800 0.036 0.000 2.395 207 G HA2 0.461 4.421 3.960 0.000 0.000 0.283 207 G HA3 0.461 4.421 3.960 0.000 0.000 0.283 207 G C -0.645 174.276 174.900 0.034 0.000 1.178 207 G CA -0.444 44.668 45.100 0.021 0.000 0.837 207 G HN 0.184 nan 8.290 nan 0.000 0.518 208 V N 1.905 121.830 119.914 0.018 0.000 2.667 208 V HA 0.499 4.619 4.120 0.000 0.000 0.308 208 V C -0.565 175.549 176.094 0.033 0.000 1.048 208 V CA -1.034 61.291 62.300 0.041 0.000 0.928 208 V CB 2.046 33.886 31.823 0.028 0.000 1.004 208 V HN 0.793 nan 8.190 nan 0.000 0.444 209 N N 2.957 121.711 118.700 0.090 0.000 2.371 209 N HA 0.581 5.321 4.740 0.000 0.000 0.291 209 N C -1.642 173.872 175.510 0.007 0.000 1.053 209 N CA -0.577 52.521 53.050 0.080 0.000 0.870 209 N CB 1.804 40.391 38.487 0.167 0.000 1.503 209 N HN 0.356 nan 8.380 nan 0.000 0.485 210 L N 3.094 124.313 121.223 -0.005 0.000 2.287 210 L HA 0.488 4.828 4.340 0.000 0.000 0.280 210 L C -2.213 174.599 176.870 -0.096 0.000 1.055 210 L CA -2.337 52.471 54.840 -0.054 0.000 0.863 210 L CB -0.010 42.062 42.059 0.021 0.000 1.245 210 L HN 0.393 nan 8.230 nan 0.000 0.432 211 P HA 0.303 nan 4.420 nan 0.000 0.276 211 P C 0.872 178.060 177.300 -0.188 0.000 1.230 211 P CA 0.037 63.013 63.100 -0.207 0.000 0.776 211 P CB 1.071 32.505 31.700 -0.443 0.000 0.888 212 G N 1.587 110.282 108.800 -0.176 0.000 2.168 212 G HA2 -0.104 3.856 3.960 0.000 0.000 0.257 212 G HA3 -0.104 3.856 3.960 0.000 0.000 0.257 212 G C 0.316 175.126 174.900 -0.149 0.000 0.997 212 G CA 0.151 45.062 45.100 -0.315 0.000 0.708 212 G HN 0.858 nan 8.290 nan 0.000 0.520 213 A N -0.552 122.223 122.820 -0.074 0.000 2.320 213 A HA 0.935 5.255 4.320 0.000 0.000 0.334 213 A C 0.610 178.186 177.584 -0.013 0.000 1.147 213 A CA 0.401 52.417 52.037 -0.035 0.000 0.820 213 A CB 1.434 20.428 19.000 -0.009 0.000 1.218 213 A HN 1.910 nan 8.150 nan 0.000 0.482 214 A N 1.879 124.697 122.820 -0.003 0.000 3.056 214 A HA 0.500 4.820 4.320 0.000 0.000 0.274 214 A C 0.162 177.772 177.584 0.044 0.000 1.661 214 A CA -0.333 51.705 52.037 0.002 0.000 1.363 214 A CB -1.238 17.761 19.000 -0.002 0.000 1.139 214 A HN 0.979 nan 8.150 nan 0.000 0.598 215 V N 1.632 121.579 119.914 0.055 0.000 2.557 215 V HA -0.056 4.064 4.120 0.000 0.000 0.301 215 V C 1.095 177.252 176.094 0.105 0.000 1.026 215 V CA 0.532 62.897 62.300 0.108 0.000 1.137 215 V CB 0.323 32.218 31.823 0.120 0.000 0.917 215 V HN 0.783 nan 8.190 nan 0.000 0.484 216 D N 2.620 123.128 120.400 0.179 0.000 2.317 216 D HA 0.088 4.728 4.640 0.000 0.000 0.211 216 D C 0.818 177.208 176.300 0.151 0.000 0.966 216 D CA 0.327 54.431 54.000 0.172 0.000 0.876 216 D CB -0.016 40.941 40.800 0.262 0.000 0.927 216 D HN 0.563 nan 8.370 nan 0.000 0.519 217 L N 2.077 123.368 121.223 0.112 0.000 2.543 217 L HA 0.066 4.406 4.340 0.000 0.000 0.285 217 L C -1.698 175.221 176.870 0.081 0.000 1.236 217 L CA -1.252 53.625 54.840 0.061 0.000 0.871 217 L CB -0.523 41.486 42.059 -0.084 0.000 1.121 217 L HN -0.000 nan 8.230 nan 0.000 0.501 218 P HA -0.060 nan 4.420 nan 0.000 0.266 218 P C 0.191 177.535 177.300 0.074 0.000 1.193 218 P CA 0.034 63.174 63.100 0.066 0.000 0.770 218 P CB 0.667 32.402 31.700 0.057 0.000 0.836 219 A N 3.004 125.864 122.820 0.067 0.000 1.883 219 A HA -0.043 4.277 4.320 0.000 0.000 0.217 219 A C 0.938 178.566 177.584 0.073 0.000 1.186 219 A CA 1.556 53.634 52.037 0.069 0.000 0.624 219 A CB -0.659 18.370 19.000 0.050 0.000 0.822 219 A HN 0.450 nan 8.150 nan 0.000 0.444 220 V N 0.274 120.223 119.914 0.059 0.000 2.495 220 V HA 0.481 4.601 4.120 0.000 0.000 0.298 220 V C 0.389 176.511 176.094 0.048 0.000 1.031 220 V CA -0.163 62.168 62.300 0.053 0.000 0.871 220 V CB 1.592 33.443 31.823 0.047 0.000 0.988 220 V HN 0.595 nan 8.190 nan 0.000 0.432 221 S N 3.275 119.002 115.700 0.044 0.000 2.713 221 S HA 0.359 4.829 4.470 0.000 0.000 0.277 221 S C 0.837 175.465 174.600 0.047 0.000 1.168 221 S CA -0.423 57.801 58.200 0.040 0.000 0.994 221 S CB 1.190 64.408 63.200 0.029 0.000 1.054 221 S HN 0.691 nan 8.310 nan 0.000 0.555 222 E N 0.670 120.898 120.200 0.047 0.000 2.077 222 E HA -0.163 4.187 4.350 0.000 0.000 0.193 222 E C 1.871 178.508 176.600 0.061 0.000 0.989 222 E CA 0.935 57.365 56.400 0.050 0.000 0.800 222 E CB -0.295 29.432 29.700 0.045 0.000 0.746 222 E HN 0.709 nan 8.360 nan 0.000 0.452 223 K N 0.913 121.352 120.400 0.064 0.000 2.103 223 K HA -0.197 4.123 4.320 0.000 0.000 0.207 223 K C 1.540 178.206 176.600 0.110 0.000 1.048 223 K CA 1.675 58.015 56.287 0.087 0.000 0.930 223 K CB 0.064 32.615 32.500 0.086 0.000 0.716 223 K HN -0.007 nan 8.250 nan 0.000 0.444 224 D N 0.914 121.363 120.400 0.082 0.000 2.078 224 D HA -0.178 4.462 4.640 0.000 0.000 0.193 224 D C 1.999 178.333 176.300 0.056 0.000 0.990 224 D CA 1.291 55.329 54.000 0.064 0.000 0.827 224 D CB -0.404 40.425 40.800 0.048 0.000 0.975 224 D HN 0.268 nan 8.370 nan 0.000 0.451 225 I N 1.204 121.809 120.570 0.059 0.000 2.236 225 I HA -0.314 3.856 4.170 0.000 0.000 0.249 225 I C 2.561 178.726 176.117 0.081 0.000 1.102 225 I CA 1.186 62.521 61.300 0.058 0.000 1.365 225 I CB -0.177 37.856 38.000 0.055 0.000 1.051 225 I HN 0.041 nan 8.210 nan 0.000 0.420 226 Q N 0.292 120.158 119.800 0.110 0.000 1.969 226 Q HA -0.197 4.143 4.340 0.000 0.000 0.198 226 Q C 1.912 178.043 176.000 0.219 0.000 0.978 226 Q CA 1.508 57.418 55.803 0.177 0.000 0.830 226 Q CB -0.484 28.359 28.738 0.174 0.000 0.896 226 Q HN 0.466 nan 8.270 nan 0.000 0.431 227 D N 0.941 121.452 120.400 0.186 0.000 2.203 227 D HA -0.145 4.495 4.640 0.000 0.000 0.199 227 D C 2.091 178.324 176.300 -0.113 0.000 0.997 227 D CA 0.946 54.968 54.000 0.036 0.000 0.863 227 D CB -0.199 40.645 40.800 0.073 0.000 0.928 227 D HN 0.155 nan 8.370 nan 0.000 0.458 228 L N 0.408 121.608 121.223 -0.039 0.000 2.023 228 L HA -0.104 4.236 4.340 0.000 0.000 0.205 228 L C 2.403 179.260 176.870 -0.020 0.000 1.073 228 L CA 1.088 55.891 54.840 -0.061 0.000 0.745 228 L CB -0.292 41.752 42.059 -0.025 0.000 0.900 228 L HN -0.109 nan 8.230 nan 0.000 0.435 229 K N -0.316 120.108 120.400 0.041 0.000 2.074 229 K HA -0.262 4.058 4.320 0.000 0.000 0.209 229 K C 2.122 178.772 176.600 0.083 0.000 1.048 229 K CA 2.036 58.361 56.287 0.062 0.000 0.926 229 K CB -0.477 32.077 32.500 0.090 0.000 0.713 229 K HN 0.136 nan 8.250 nan 0.000 0.444 230 F N 1.424 121.335 119.950 -0.066 0.000 2.171 230 F HA -0.148 4.379 4.527 0.000 0.000 0.300 230 F C 2.072 177.763 175.800 -0.182 0.000 1.090 230 F CA 1.677 59.596 58.000 -0.134 0.000 1.293 230 F CB -0.566 38.189 39.000 -0.409 0.000 1.013 230 F HN 0.012 nan 8.300 nan 0.000 0.486 231 G N 0.277 109.039 108.800 -0.062 0.000 2.446 231 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 231 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 231 G C 1.722 176.510 174.900 -0.187 0.000 1.168 231 G CA 1.363 46.342 45.100 -0.202 0.000 0.771 231 G HN 0.345 nan 8.290 nan 0.000 0.551 232 V N 0.843 120.688 119.914 -0.116 0.000 2.332 232 V HA -0.207 3.913 4.120 0.000 0.000 0.248 232 V C 2.648 178.673 176.094 -0.116 0.000 1.055 232 V CA 2.237 64.482 62.300 -0.092 0.000 1.038 232 V CB -0.563 31.233 31.823 -0.047 0.000 0.651 232 V HN 0.484 nan 8.190 nan 0.000 0.450 233 E N -0.361 119.751 120.200 -0.146 0.000 2.204 233 E HA -0.215 4.135 4.350 0.000 0.000 0.195 233 E C 2.067 178.532 176.600 -0.226 0.000 0.990 233 E CA 0.931 57.232 56.400 -0.164 0.000 0.821 233 E CB -0.066 29.537 29.700 -0.161 0.000 0.750 233 E HN 0.597 nan 8.360 nan 0.000 0.477 234 Q N 0.369 119.979 119.800 -0.318 0.000 2.360 234 Q HA -0.009 4.331 4.340 0.000 0.000 0.202 234 Q C -0.429 175.470 176.000 -0.168 0.000 0.915 234 Q CA 0.145 55.778 55.803 -0.284 0.000 0.943 234 Q CB 0.460 28.958 28.738 -0.401 0.000 1.064 234 Q HN 0.111 nan 8.270 nan 0.000 0.511 235 D N 0.770 121.089 120.400 -0.136 0.000 3.133 235 D HA -0.134 4.506 4.640 0.000 0.000 0.239 235 D C -0.610 175.644 176.300 -0.077 0.000 1.136 235 D CA 0.349 54.297 54.000 -0.086 0.000 0.898 235 D CB -0.887 39.877 40.800 -0.061 0.000 0.959 235 D HN 0.126 nan 8.370 nan 0.000 0.415 236 V N -0.993 118.865 119.914 -0.094 0.000 2.617 236 V HA 0.494 4.614 4.120 0.000 0.000 0.298 236 V C 1.426 177.484 176.094 -0.061 0.000 1.048 236 V CA -0.451 61.793 62.300 -0.092 0.000 0.964 236 V CB 1.928 33.668 31.823 -0.139 0.000 1.004 236 V HN 0.019 nan 8.190 nan 0.000 0.466 237 D N 3.109 123.482 120.400 -0.045 0.000 2.117 237 D HA 0.009 4.649 4.640 0.000 0.000 0.198 237 D C 0.803 177.098 176.300 -0.007 0.000 0.982 237 D CA 2.241 56.239 54.000 -0.003 0.000 0.828 237 D CB 0.091 40.904 40.800 0.022 0.000 0.967 237 D HN 0.825 nan 8.370 nan 0.000 0.464 238 M N -1.895 117.666 119.600 -0.065 0.000 2.773 238 M HA 0.481 4.961 4.480 0.000 0.000 0.270 238 M C -1.790 174.410 176.300 -0.167 0.000 1.238 238 M CA -0.884 54.383 55.300 -0.054 0.000 0.832 238 M CB 2.799 35.424 32.600 0.041 0.000 1.672 238 M HN -0.367 nan 8.290 nan 0.000 0.480 239 V N 1.867 121.740 119.914 -0.068 0.000 2.604 239 V HA 0.581 4.701 4.120 0.000 0.000 0.305 239 V C -1.414 174.778 176.094 0.164 0.000 1.043 239 V CA -0.397 61.851 62.300 -0.086 0.000 0.888 239 V CB 2.189 33.989 31.823 -0.040 0.000 0.995 239 V HN 0.670 nan 8.190 nan 0.000 0.429 240 F N 3.673 123.608 119.950 -0.025 0.000 2.334 240 F HA 0.579 5.106 4.527 0.000 0.000 0.365 240 F C 0.749 176.547 175.800 -0.003 0.000 1.124 240 F CA -1.556 56.438 58.000 -0.010 0.000 1.166 240 F CB 0.799 39.799 39.000 -0.001 0.000 1.355 240 F HN 0.505 nan 8.300 nan 0.000 0.532 241 A N 2.874 125.799 122.820 0.176 0.000 2.376 241 A HA 0.459 4.779 4.320 0.000 0.000 0.298 241 A C 0.623 178.268 177.584 0.102 0.000 1.271 241 A CA -0.231 51.870 52.037 0.106 0.000 0.926 241 A CB -0.128 18.911 19.000 0.066 0.000 1.141 241 A HN 0.562 nan 8.150 nan 0.000 0.539 242 S N 1.345 117.116 115.700 0.118 0.000 2.579 242 S HA 0.355 4.825 4.470 0.000 0.000 0.275 242 S C 0.170 174.903 174.600 0.222 0.000 1.345 242 S CA 0.091 58.378 58.200 0.145 0.000 1.031 242 S CB -0.196 63.076 63.200 0.120 0.000 0.892 242 S HN 1.054 nan 8.310 nan 0.000 0.529 243 F N 1.202 121.150 119.950 -0.003 0.000 2.891 243 F HA -0.155 4.372 4.527 -0.000 0.000 0.272 243 F C -0.488 175.303 175.800 -0.014 0.000 1.004 243 F CA -0.169 57.824 58.000 -0.013 0.000 0.938 243 F CB -1.042 37.946 39.000 -0.020 0.000 0.939 243 F HN 0.347 nan 8.300 nan 0.000 0.833 244 I N 2.307 122.851 120.570 -0.044 0.000 2.352 244 I HA 0.144 4.314 4.170 0.000 0.000 0.290 244 I C 1.324 177.322 176.117 -0.198 0.000 1.036 244 I CA 0.135 61.379 61.300 -0.093 0.000 1.336 244 I CB 1.349 39.316 38.000 -0.055 0.000 1.407 244 I HN 0.365 nan 8.210 nan 0.000 0.497 245 R N 4.650 125.025 120.500 -0.208 0.000 2.098 245 R HA 0.167 4.507 4.340 0.000 0.000 0.203 245 R C 0.425 176.647 176.300 -0.130 0.000 1.166 245 R CA 0.378 56.347 56.100 -0.218 0.000 1.090 245 R CB 0.332 30.479 30.300 -0.256 0.000 0.992 245 R HN 0.568 nan 8.270 nan 0.000 0.477 246 K N -0.712 119.624 120.400 -0.108 0.000 2.307 246 K HA 0.611 4.931 4.320 0.000 0.000 0.239 246 K C 0.650 177.176 176.600 -0.123 0.000 1.083 246 K CA -0.169 56.063 56.287 -0.093 0.000 0.913 246 K CB 0.997 33.460 32.500 -0.062 0.000 1.322 246 K HN -0.030 nan 8.250 nan 0.000 0.514 247 A N 0.601 123.341 122.820 -0.134 0.000 1.854 247 A HA -0.034 4.286 4.320 0.000 0.000 0.214 247 A C 2.371 179.748 177.584 -0.344 0.000 1.192 247 A CA 2.028 53.916 52.037 -0.248 0.000 0.611 247 A CB -1.354 17.526 19.000 -0.199 0.000 0.832 247 A HN 0.811 nan 8.150 nan 0.000 0.442 248 A N 0.414 123.167 122.820 -0.111 0.000 2.009 248 A HA -0.303 4.017 4.320 0.000 0.000 0.222 248 A C 1.659 179.239 177.584 -0.006 0.000 1.175 248 A CA 2.257 54.325 52.037 0.052 0.000 0.651 248 A CB -0.781 18.268 19.000 0.083 0.000 0.815 248 A HN 0.523 nan 8.150 nan 0.000 0.459 249 D N -0.207 120.160 120.400 -0.055 0.000 2.104 249 D HA -0.117 4.523 4.640 0.000 0.000 0.194 249 D C 2.114 178.390 176.300 -0.040 0.000 0.994 249 D CA 1.602 55.586 54.000 -0.028 0.000 0.830 249 D CB -0.705 40.074 40.800 -0.036 0.000 0.959 249 D HN 0.296 nan 8.370 nan 0.000 0.452 250 V N 0.953 120.789 119.914 -0.129 0.000 2.255 250 V HA -0.299 3.821 4.120 0.000 0.000 0.247 250 V C 2.104 178.160 176.094 -0.063 0.000 1.051 250 V CA 1.936 64.154 62.300 -0.137 0.000 1.018 250 V CB -1.009 30.666 31.823 -0.247 0.000 0.641 250 V HN 0.304 nan 8.190 nan 0.000 0.445 251 H N 0.105 119.173 119.070 -0.004 0.000 2.265 251 H HA -0.235 4.321 4.556 0.000 0.000 0.293 251 H C 2.507 177.839 175.328 0.007 0.000 1.089 251 H CA 1.966 58.014 56.048 -0.000 0.000 1.244 251 H CB -0.105 29.655 29.762 -0.003 0.000 1.355 251 H HN 0.474 nan 8.280 nan 0.000 0.485 252 E N 0.201 120.485 120.200 0.141 0.000 2.187 252 E HA -0.179 4.171 4.350 0.000 0.000 0.199 252 E C 2.214 178.852 176.600 0.063 0.000 1.004 252 E CA 1.400 57.850 56.400 0.084 0.000 0.813 252 E CB 0.054 29.793 29.700 0.065 0.000 0.736 252 E HN 0.276 nan 8.360 nan 0.000 0.468 253 V N 0.319 120.266 119.914 0.054 0.000 2.667 253 V HA -0.177 3.943 4.120 0.000 0.000 0.252 253 V C 2.206 178.324 176.094 0.041 0.000 1.065 253 V CA 1.444 63.768 62.300 0.040 0.000 1.083 253 V CB -0.406 31.435 31.823 0.030 0.000 0.692 253 V HN 0.145 nan 8.190 nan 0.000 0.468 254 R N 0.255 120.790 120.500 0.058 0.000 2.062 254 R HA -0.044 4.296 4.340 0.000 0.000 0.226 254 R C 2.430 178.757 176.300 0.044 0.000 1.125 254 R CA 1.093 57.226 56.100 0.055 0.000 0.966 254 R CB -0.123 30.226 30.300 0.081 0.000 0.861 254 R HN 0.370 nan 8.270 nan 0.000 0.433 255 K N 0.297 120.726 120.400 0.049 0.000 2.074 255 K HA -0.170 4.150 4.320 0.000 0.000 0.209 255 K C 1.955 178.573 176.600 0.030 0.000 1.048 255 K CA 1.536 57.844 56.287 0.035 0.000 0.926 255 K CB -0.115 32.407 32.500 0.036 0.000 0.713 255 K HN 0.133 nan 8.250 nan 0.000 0.444 256 I N 1.236 121.826 120.570 0.033 0.000 2.127 256 I HA -0.288 3.882 4.170 0.000 0.000 0.241 256 I C 2.219 178.349 176.117 0.022 0.000 1.075 256 I CA 1.586 62.903 61.300 0.029 0.000 1.334 256 I CB -1.114 36.904 38.000 0.030 0.000 1.040 256 I HN 0.208 nan 8.210 nan 0.000 0.405 257 L N 0.203 121.437 121.223 0.018 0.000 2.129 257 L HA -0.108 4.232 4.340 0.000 0.000 0.212 257 L C 1.662 178.539 176.870 0.012 0.000 1.087 257 L CA 0.998 55.844 54.840 0.010 0.000 0.757 257 L CB -1.182 40.882 42.059 0.008 0.000 0.896 257 L HN 0.522 nan 8.230 nan 0.000 0.434 258 G N -0.217 108.594 108.800 0.017 0.000 2.598 258 G HA2 -0.332 3.628 3.960 0.000 0.000 0.269 258 G HA3 -0.332 3.628 3.960 0.000 0.000 0.269 258 G C 0.640 175.549 174.900 0.014 0.000 1.289 258 G CA 0.399 45.509 45.100 0.016 0.000 0.926 258 G HN 0.261 nan 8.290 nan 0.000 0.567 259 E N -0.118 120.089 120.200 0.012 0.000 2.072 259 E HA -0.075 4.275 4.350 0.000 0.000 0.190 259 E C 2.492 179.097 176.600 0.009 0.000 0.982 259 E CA 0.891 57.298 56.400 0.012 0.000 0.803 259 E CB -0.208 29.499 29.700 0.010 0.000 0.755 259 E HN 0.418 nan 8.360 nan 0.000 0.453 260 K N 0.316 120.720 120.400 0.006 0.000 2.362 260 K HA -0.127 4.193 4.320 0.000 0.000 0.202 260 K C 0.847 177.446 176.600 -0.002 0.000 1.045 260 K CA 1.048 57.335 56.287 0.001 0.000 0.936 260 K CB -0.087 32.411 32.500 -0.002 0.000 0.747 260 K HN 0.132 nan 8.250 nan 0.000 0.467 261 G N 0.924 109.725 108.800 0.001 0.000 4.729 261 G HA2 0.132 4.092 3.960 0.000 0.000 0.258 261 G HA3 0.132 4.092 3.960 0.000 0.000 0.258 261 G C 0.310 175.216 174.900 0.010 0.000 1.188 261 G CA -0.520 44.580 45.100 -0.001 0.000 0.866 261 G HN 0.181 nan 8.290 nan 0.000 0.562 262 K N -0.507 119.903 120.400 0.017 0.000 2.361 262 K HA 0.037 4.357 4.320 0.000 0.000 0.196 262 K C 1.510 178.130 176.600 0.034 0.000 1.039 262 K CA 0.856 57.158 56.287 0.025 0.000 1.001 262 K CB 0.116 32.630 32.500 0.025 0.000 0.795 262 K HN 0.232 nan 8.250 nan 0.000 0.495 263 N N 1.291 120.010 118.700 0.032 0.000 2.373 263 N HA 0.065 4.805 4.740 0.000 0.000 0.181 263 N C 0.162 175.699 175.510 0.045 0.000 1.082 263 N CA 0.065 53.141 53.050 0.044 0.000 0.885 263 N CB -0.190 38.321 38.487 0.041 0.000 0.977 263 N HN 0.202 nan 8.380 nan 0.000 0.462 264 I N 1.089 121.676 120.570 0.029 0.000 2.575 264 I HA 0.057 4.227 4.170 0.000 0.000 0.285 264 I C 0.311 176.450 176.117 0.038 0.000 1.085 264 I CA -0.421 60.892 61.300 0.022 0.000 1.403 264 I CB 0.601 38.597 38.000 -0.006 0.000 1.409 264 I HN -0.192 nan 8.210 nan 0.000 0.557 265 K N 7.158 127.588 120.400 0.049 0.000 2.248 265 K HA 0.467 4.787 4.320 0.000 0.000 0.281 265 K C -0.463 176.179 176.600 0.070 0.000 1.054 265 K CA -0.338 55.989 56.287 0.066 0.000 0.903 265 K CB 1.249 33.800 32.500 0.086 0.000 1.077 265 K HN 0.516 nan 8.250 nan 0.000 0.474 266 I N 4.777 125.382 120.570 0.058 0.000 2.308 266 I HA 0.071 4.241 4.170 0.000 0.000 0.293 266 I C -0.085 176.070 176.117 0.064 0.000 1.078 266 I CA -0.646 60.691 61.300 0.060 0.000 1.292 266 I CB 0.301 38.322 38.000 0.035 0.000 1.423 266 I HN 0.192 nan 8.210 nan 0.000 0.493 267 I N 5.719 126.363 120.570 0.123 0.000 2.307 267 I HA 0.170 4.340 4.170 0.000 0.000 0.289 267 I C 0.661 176.804 176.117 0.044 0.000 1.021 267 I CA -0.273 61.072 61.300 0.075 0.000 1.224 267 I CB 0.815 38.881 38.000 0.109 0.000 1.376 267 I HN 0.396 nan 8.210 nan 0.000 0.470 268 S N 6.573 122.269 115.700 -0.007 0.000 2.528 268 S HA 0.284 4.754 4.470 0.000 0.000 0.277 268 S C 0.251 174.838 174.600 -0.022 0.000 1.297 268 S CA -0.478 57.715 58.200 -0.013 0.000 1.052 268 S CB 0.383 63.557 63.200 -0.043 0.000 0.917 268 S HN 0.323 nan 8.310 nan 0.000 0.492 269 K N 3.551 123.948 120.400 -0.005 0.000 2.211 269 K HA 0.352 4.672 4.320 0.000 0.000 0.275 269 K C -0.534 176.063 176.600 -0.005 0.000 1.024 269 K CA -0.556 55.721 56.287 -0.016 0.000 0.887 269 K CB 0.942 33.453 32.500 0.019 0.000 1.084 269 K HN 0.489 nan 8.250 nan 0.000 0.463 270 I N 3.780 124.340 120.570 -0.016 0.000 2.281 270 I HA 0.078 4.248 4.170 0.000 0.000 0.293 270 I C 0.938 177.034 176.117 -0.035 0.000 1.085 270 I CA 0.317 61.601 61.300 -0.026 0.000 1.257 270 I CB 0.380 38.367 38.000 -0.022 0.000 1.430 270 I HN 0.704 nan 8.210 nan 0.000 0.489 271 E N 4.652 124.836 120.200 -0.027 0.000 2.340 271 E HA 0.034 4.384 4.350 0.000 0.000 0.198 271 E C 0.329 176.928 176.600 -0.003 0.000 0.961 271 E CA 0.264 56.686 56.400 0.036 0.000 0.905 271 E CB 0.619 30.458 29.700 0.232 0.000 0.884 271 E HN 0.826 nan 8.360 nan 0.000 0.491 272 N N -1.913 116.722 118.700 -0.108 0.000 2.902 272 N HA 0.141 4.881 4.740 0.000 0.000 0.268 272 N C 0.277 175.719 175.510 -0.112 0.000 1.450 272 N CA -0.626 52.365 53.050 -0.099 0.000 0.819 272 N CB 0.971 39.407 38.487 -0.084 0.000 1.540 272 N HN -0.254 nan 8.380 nan 0.000 0.545 273 H N -0.117 118.902 119.070 -0.085 0.000 2.267 273 H HA -0.185 4.371 4.556 -0.000 0.000 0.291 273 H C 1.479 176.754 175.328 -0.089 0.000 1.094 273 H CA 2.567 58.567 56.048 -0.081 0.000 1.227 273 H CB 0.023 29.742 29.762 -0.071 0.000 1.351 273 H HN 0.641 nan 8.280 nan 0.000 0.483 274 E N -0.312 119.902 120.200 0.025 0.000 2.086 274 E HA -0.224 4.126 4.350 0.000 0.000 0.200 274 E C 2.584 179.151 176.600 -0.055 0.000 1.012 274 E CA 1.051 57.428 56.400 -0.038 0.000 0.812 274 E CB -0.390 29.252 29.700 -0.096 0.000 0.743 274 E HN 0.614 nan 8.360 nan 0.000 0.453 275 G N 0.400 109.138 108.800 -0.103 0.000 2.469 275 G HA2 -0.266 3.694 3.960 0.000 0.000 0.219 275 G HA3 -0.266 3.694 3.960 0.000 0.000 0.219 275 G C 1.676 176.579 174.900 0.006 0.000 1.150 275 G CA 1.083 46.135 45.100 -0.080 0.000 0.763 275 G HN 0.215 nan 8.290 nan 0.000 0.561 276 V N 1.133 121.032 119.914 -0.025 0.000 2.379 276 V HA -0.098 4.022 4.120 0.000 0.000 0.245 276 V C 2.787 178.895 176.094 0.025 0.000 1.044 276 V CA 1.975 64.258 62.300 -0.028 0.000 1.036 276 V CB -0.373 31.386 31.823 -0.108 0.000 0.664 276 V HN 0.502 nan 8.190 nan 0.000 0.453 277 R N 0.992 121.505 120.500 0.021 0.000 2.189 277 R HA -0.051 4.289 4.340 0.000 0.000 0.218 277 R C 1.550 177.869 176.300 0.031 0.000 1.074 277 R CA 1.087 57.202 56.100 0.026 0.000 0.991 277 R CB -0.020 30.292 30.300 0.020 0.000 0.883 277 R HN 0.432 nan 8.270 nan 0.000 0.457 278 R N -0.163 120.354 120.500 0.029 0.000 2.609 278 R HA 0.092 4.432 4.340 0.000 0.000 0.326 278 R C 0.820 177.131 176.300 0.019 0.000 1.090 278 R CA -0.380 55.724 56.100 0.007 0.000 1.072 278 R CB -0.087 30.195 30.300 -0.030 0.000 1.330 278 R HN 0.089 nan 8.270 nan 0.000 0.572 279 F N 2.484 122.392 119.950 -0.069 0.000 2.063 279 F HA -0.310 4.217 4.527 0.000 0.000 0.298 279 F C 1.622 177.382 175.800 -0.066 0.000 1.109 279 F CA 1.918 59.874 58.000 -0.073 0.000 1.212 279 F CB 0.048 39.004 39.000 -0.073 0.000 0.973 279 F HN 0.038 nan 8.300 nan 0.000 0.480 280 D N 0.283 120.600 120.400 -0.137 0.000 2.106 280 D HA -0.266 4.374 4.640 0.000 0.000 0.191 280 D C 2.208 178.336 176.300 -0.287 0.000 0.997 280 D CA 2.024 55.883 54.000 -0.235 0.000 0.834 280 D CB -0.637 40.125 40.800 -0.064 0.000 0.956 280 D HN 0.709 nan 8.370 nan 0.000 0.448 281 E N 0.455 120.542 120.200 -0.189 0.000 2.150 281 E HA -0.133 4.217 4.350 0.000 0.000 0.193 281 E C 2.258 178.725 176.600 -0.223 0.000 0.985 281 E CA 0.746 57.048 56.400 -0.163 0.000 0.814 281 E CB -0.438 29.202 29.700 -0.100 0.000 0.752 281 E HN 0.280 nan 8.360 nan 0.000 0.466 282 I N 1.224 121.630 120.570 -0.274 0.000 2.315 282 I HA -0.199 3.971 4.170 0.000 0.000 0.248 282 I C 2.581 178.485 176.117 -0.355 0.000 1.117 282 I CA 0.649 61.782 61.300 -0.277 0.000 1.404 282 I CB -0.240 37.635 38.000 -0.210 0.000 1.071 282 I HN 0.208 nan 8.210 nan 0.000 0.419 283 L N 0.865 121.734 121.223 -0.591 0.000 1.955 283 L HA -0.274 4.066 4.340 0.000 0.000 0.213 283 L C 2.594 179.282 176.870 -0.304 0.000 1.072 283 L CA 2.016 56.501 54.840 -0.592 0.000 0.755 283 L CB -0.455 41.097 42.059 -0.844 0.000 0.888 283 L HN 0.333 nan 8.230 nan 0.000 0.432 284 E N -0.536 119.509 120.200 -0.258 0.000 2.339 284 E HA -0.259 4.091 4.350 0.000 0.000 0.201 284 E C 1.568 178.107 176.600 -0.101 0.000 1.015 284 E CA 1.196 57.510 56.400 -0.142 0.000 0.841 284 E CB 0.082 29.716 29.700 -0.110 0.000 0.754 284 E HN 0.609 nan 8.360 nan 0.000 0.508 285 A N -0.068 122.668 122.820 -0.141 0.000 2.229 285 A HA 0.178 4.498 4.320 0.000 0.000 0.211 285 A C 0.973 178.495 177.584 -0.103 0.000 1.193 285 A CA -0.074 51.893 52.037 -0.116 0.000 0.879 285 A CB 0.491 19.356 19.000 -0.225 0.000 0.911 285 A HN 0.159 nan 8.150 nan 0.000 0.492 286 S N 0.589 116.217 115.700 -0.120 0.000 2.669 286 S HA 0.288 4.758 4.470 0.000 0.000 0.270 286 S C -0.039 174.534 174.600 -0.046 0.000 1.225 286 S CA -0.447 57.706 58.200 -0.079 0.000 0.991 286 S CB 0.883 64.032 63.200 -0.085 0.000 0.987 286 S HN 0.320 nan 8.310 nan 0.000 0.552 287 D N 0.455 120.844 120.400 -0.019 0.000 2.213 287 D HA 0.205 4.845 4.640 0.000 0.000 0.205 287 D C 0.992 177.268 176.300 -0.040 0.000 0.961 287 D CA 0.831 54.829 54.000 -0.003 0.000 0.853 287 D CB -0.023 40.794 40.800 0.030 0.000 0.967 287 D HN 0.621 nan 8.370 nan 0.000 0.496 288 G N -0.634 108.136 108.800 -0.050 0.000 2.870 288 G HA2 0.701 4.661 3.960 0.000 0.000 0.299 288 G HA3 0.701 4.661 3.960 0.000 0.000 0.299 288 G C -1.372 173.486 174.900 -0.069 0.000 1.324 288 G CA -0.502 44.545 45.100 -0.087 0.000 0.808 288 G HN 0.010 nan 8.290 nan 0.000 0.535 289 I N 0.075 120.595 120.570 -0.083 0.000 2.842 289 I HA 0.403 4.573 4.170 0.000 0.000 0.297 289 I C -1.172 174.877 176.117 -0.113 0.000 1.380 289 I CA -0.573 60.696 61.300 -0.052 0.000 1.018 289 I CB 2.624 40.660 38.000 0.059 0.000 1.311 289 I HN 0.542 nan 8.210 nan 0.000 0.439 290 M N 5.646 125.174 119.600 -0.120 0.000 2.326 290 M HA 0.501 4.981 4.480 0.000 0.000 0.306 290 M C -1.727 174.506 176.300 -0.110 0.000 1.054 290 M CA -0.672 54.525 55.300 -0.171 0.000 0.922 290 M CB 2.009 34.420 32.600 -0.315 0.000 1.632 290 M HN 0.299 nan 8.290 nan 0.000 0.436 291 V N 4.918 124.766 119.914 -0.111 0.000 2.299 291 V HA 0.352 4.472 4.120 0.000 0.000 0.255 291 V C 0.493 176.540 176.094 -0.079 0.000 1.100 291 V CA -0.429 61.813 62.300 -0.096 0.000 0.938 291 V CB 0.124 31.887 31.823 -0.101 0.000 1.139 291 V HN 0.857 nan 8.190 nan 0.000 0.490 292 A N 5.259 128.042 122.820 -0.063 0.000 2.807 292 A HA 0.391 4.711 4.320 0.000 0.000 0.307 292 A C 1.417 178.986 177.584 -0.025 0.000 1.532 292 A CA -0.473 51.542 52.037 -0.037 0.000 1.215 292 A CB -0.229 18.761 19.000 -0.017 0.000 1.127 292 A HN 0.862 nan 8.150 nan 0.000 0.543 293 R N 1.625 122.109 120.500 -0.027 0.000 2.127 293 R HA -0.144 4.196 4.340 0.000 0.000 0.238 293 R C 2.212 178.510 176.300 -0.003 0.000 1.134 293 R CA 1.691 57.779 56.100 -0.019 0.000 0.975 293 R CB -0.300 29.991 30.300 -0.015 0.000 0.865 293 R HN 0.683 nan 8.270 nan 0.000 0.447 294 G N 1.617 110.422 108.800 0.007 0.000 2.701 294 G HA2 -0.299 3.661 3.960 0.000 0.000 0.215 294 G HA3 -0.299 3.661 3.960 0.000 0.000 0.215 294 G C 0.800 175.715 174.900 0.025 0.000 1.297 294 G CA 1.237 46.348 45.100 0.018 0.000 0.807 294 G HN 0.205 nan 8.290 nan 0.000 0.608 295 D N 0.204 120.625 120.400 0.034 0.000 2.182 295 D HA -0.103 4.537 4.640 0.000 0.000 0.201 295 D C 2.310 178.639 176.300 0.049 0.000 0.986 295 D CA 0.492 54.526 54.000 0.055 0.000 0.847 295 D CB -0.360 40.486 40.800 0.077 0.000 0.942 295 D HN 0.165 nan 8.370 nan 0.000 0.467 296 L N 0.720 121.951 121.223 0.014 0.000 2.201 296 L HA 0.048 4.388 4.340 0.000 0.000 0.212 296 L C 2.083 178.932 176.870 -0.034 0.000 1.105 296 L CA 1.422 56.244 54.840 -0.030 0.000 0.775 296 L CB -0.799 41.223 42.059 -0.062 0.000 0.913 296 L HN 0.048 nan 8.230 nan 0.000 0.440 297 G N -1.583 107.214 108.800 -0.004 0.000 2.813 297 G HA2 -0.023 3.937 3.960 0.000 0.000 0.209 297 G HA3 -0.023 3.937 3.960 0.000 0.000 0.209 297 G C 1.479 176.405 174.900 0.045 0.000 1.150 297 G CA 0.410 45.515 45.100 0.008 0.000 0.785 297 G HN 0.446 nan 8.290 nan 0.000 0.535 298 I N -0.705 119.909 120.570 0.074 0.000 2.810 298 I HA 0.146 4.316 4.170 0.000 0.000 0.262 298 I C 2.435 178.702 176.117 0.250 0.000 1.131 298 I CA 0.336 61.719 61.300 0.137 0.000 1.453 298 I CB 0.236 38.319 38.000 0.138 0.000 1.161 298 I HN 0.030 nan 8.210 nan 0.000 0.444 299 E N 1.313 121.607 120.200 0.158 0.000 1.999 299 E HA -0.042 4.308 4.350 0.000 0.000 0.194 299 E C 0.950 177.615 176.600 0.109 0.000 0.995 299 E CA 0.959 57.443 56.400 0.140 0.000 0.825 299 E CB 0.003 29.749 29.700 0.078 0.000 0.777 299 E HN 0.386 nan 8.360 nan 0.000 0.459 300 I N -0.597 119.912 120.570 -0.102 0.000 2.713 300 I HA 0.351 4.521 4.170 0.000 0.000 0.300 300 I C -2.337 173.777 176.117 -0.007 0.000 1.009 300 I CA -2.594 58.610 61.300 -0.160 0.000 1.305 300 I CB 1.000 38.721 38.000 -0.465 0.000 1.430 300 I HN -0.125 nan 8.210 nan 0.000 0.546 301 P HA 0.056 nan 4.420 nan 0.000 0.266 301 P C 0.193 177.496 177.300 0.005 0.000 1.195 301 P CA 0.013 63.140 63.100 0.045 0.000 0.768 301 P CB 0.923 32.658 31.700 0.058 0.000 0.838 302 A N 3.783 126.617 122.820 0.023 0.000 1.902 302 A HA -0.239 4.081 4.320 0.000 0.000 0.217 302 A C 1.777 179.387 177.584 0.043 0.000 1.181 302 A CA 1.834 53.886 52.037 0.024 0.000 0.623 302 A CB -1.209 17.810 19.000 0.032 0.000 0.818 302 A HN 0.650 nan 8.150 nan 0.000 0.443 303 E N 0.562 120.797 120.200 0.058 0.000 2.209 303 E HA -0.180 4.170 4.350 0.000 0.000 0.196 303 E C 1.453 178.092 176.600 0.065 0.000 0.993 303 E CA 1.401 57.870 56.400 0.115 0.000 0.819 303 E CB -0.218 29.540 29.700 0.096 0.000 0.745 303 E HN 0.624 nan 8.360 nan 0.000 0.477 304 K N 0.735 121.095 120.400 -0.067 0.000 2.444 304 K HA 0.084 4.404 4.320 0.000 0.000 0.193 304 K C 1.600 177.992 176.600 -0.347 0.000 1.024 304 K CA 0.177 56.317 56.287 -0.245 0.000 1.077 304 K CB 0.473 32.873 32.500 -0.167 0.000 0.833 304 K HN 0.014 nan 8.250 nan 0.000 0.517 305 V N 1.569 121.357 119.914 -0.210 0.000 2.270 305 V HA -0.253 3.867 4.120 0.000 0.000 0.245 305 V C 2.067 178.017 176.094 -0.240 0.000 1.043 305 V CA 1.733 63.927 62.300 -0.177 0.000 1.014 305 V CB -0.756 31.031 31.823 -0.059 0.000 0.645 305 V HN 0.372 nan 8.190 nan 0.000 0.447 306 F N 0.572 120.490 119.950 -0.053 0.000 2.346 306 F HA -0.160 4.367 4.527 -0.000 0.000 0.301 306 F C 1.763 177.522 175.800 -0.067 0.000 1.070 306 F CA 1.431 59.398 58.000 -0.055 0.000 1.407 306 F CB -1.129 37.847 39.000 -0.040 0.000 1.072 306 F HN 0.095 nan 8.300 nan 0.000 0.543 307 L N 0.641 121.253 121.223 -1.019 0.000 2.068 307 L HA 0.018 4.358 4.340 0.000 0.000 0.204 307 L C 3.000 179.665 176.870 -0.341 0.000 1.076 307 L CA 1.008 55.463 54.840 -0.641 0.000 0.753 307 L CB -1.235 40.463 42.059 -0.602 0.000 0.910 307 L HN 0.270 nan 8.230 nan 0.000 0.439 308 A N -0.352 122.271 122.820 -0.329 0.000 1.933 308 A HA -0.283 4.037 4.320 0.000 0.000 0.218 308 A C 2.266 179.700 177.584 -0.250 0.000 1.175 308 A CA 1.931 53.804 52.037 -0.274 0.000 0.628 308 A CB -0.577 18.272 19.000 -0.251 0.000 0.814 308 A HN 0.505 nan 8.150 nan 0.000 0.444 309 Q N -0.147 119.540 119.800 -0.189 0.000 2.020 309 Q HA -0.219 4.121 4.340 0.000 0.000 0.202 309 Q C 2.006 177.930 176.000 -0.127 0.000 0.982 309 Q CA 2.017 57.741 55.803 -0.133 0.000 0.838 309 Q CB -0.162 28.543 28.738 -0.055 0.000 0.899 309 Q HN 0.669 nan 8.270 nan 0.000 0.423 310 K N 0.021 120.366 120.400 -0.091 0.000 2.032 310 K HA -0.167 4.153 4.320 0.000 0.000 0.209 310 K C 2.222 178.752 176.600 -0.117 0.000 1.048 310 K CA 1.582 57.829 56.287 -0.067 0.000 0.927 310 K CB -0.285 32.217 32.500 0.002 0.000 0.712 310 K HN 0.328 nan 8.250 nan 0.000 0.441 311 M N 1.328 120.829 119.600 -0.164 0.000 2.086 311 M HA -0.169 4.311 4.480 0.000 0.000 0.261 311 M C 1.990 178.120 176.300 -0.283 0.000 1.067 311 M CA 1.674 56.857 55.300 -0.195 0.000 1.116 311 M CB -0.344 32.123 32.600 -0.222 0.000 1.348 311 M HN 0.167 nan 8.290 nan 0.000 0.407 312 I N 0.288 120.612 120.570 -0.409 0.000 2.099 312 I HA -0.375 3.795 4.170 0.000 0.000 0.239 312 I C 2.415 178.373 176.117 -0.265 0.000 1.066 312 I CA 1.551 62.492 61.300 -0.599 0.000 1.324 312 I CB -0.462 37.192 38.000 -0.576 0.000 1.037 312 I HN 0.267 nan 8.210 nan 0.000 0.401 313 I N 0.652 121.121 120.570 -0.168 0.000 2.151 313 I HA -0.274 3.896 4.170 0.000 0.000 0.243 313 I C 2.605 178.688 176.117 -0.056 0.000 1.080 313 I CA 1.894 63.144 61.300 -0.085 0.000 1.339 313 I CB -0.759 37.199 38.000 -0.070 0.000 1.039 313 I HN 0.295 nan 8.210 nan 0.000 0.409 314 G N 0.006 108.766 108.800 -0.067 0.000 2.418 314 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 314 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 314 G C 1.782 176.672 174.900 -0.016 0.000 1.158 314 G CA 0.590 45.663 45.100 -0.045 0.000 0.771 314 G HN 0.256 nan 8.290 nan 0.000 0.545 315 R N -0.918 119.588 120.500 0.009 0.000 2.189 315 R HA 0.062 4.402 4.340 0.000 0.000 0.218 315 R C 2.454 178.824 176.300 0.116 0.000 1.074 315 R CA 0.938 57.101 56.100 0.105 0.000 0.991 315 R CB -0.376 30.094 30.300 0.284 0.000 0.883 315 R HN 0.413 nan 8.270 nan 0.000 0.457 316 C N -0.532 118.824 119.300 0.092 0.000 2.492 316 C HA 0.091 4.551 4.460 0.000 0.000 0.279 316 C C 2.040 177.027 174.990 -0.005 0.000 1.335 316 C CA 0.212 59.265 59.018 0.059 0.000 1.734 316 C CB -0.878 26.893 27.740 0.052 0.000 2.027 316 C HN 0.586 nan 8.230 nan 0.000 0.496 317 N N 0.556 119.243 118.700 -0.021 0.000 2.120 317 N HA -0.166 4.574 4.740 0.000 0.000 0.188 317 N C 2.098 177.564 175.510 -0.073 0.000 1.024 317 N CA 0.805 53.827 53.050 -0.047 0.000 0.852 317 N CB -0.245 38.216 38.487 -0.043 0.000 1.003 317 N HN 0.471 nan 8.380 nan 0.000 0.424 318 R N 0.919 121.390 120.500 -0.047 0.000 2.105 318 R HA -0.094 4.246 4.340 0.000 0.000 0.239 318 R C 1.530 177.804 176.300 -0.044 0.000 1.135 318 R CA 1.516 57.588 56.100 -0.046 0.000 0.967 318 R CB -0.059 30.235 30.300 -0.010 0.000 0.861 318 R HN 0.178 nan 8.270 nan 0.000 0.442 319 A N -0.755 122.051 122.820 -0.025 0.000 2.348 319 A HA 0.249 4.569 4.320 0.000 0.000 0.224 319 A C 0.913 178.481 177.584 -0.027 0.000 1.227 319 A CA 0.587 52.615 52.037 -0.015 0.000 0.885 319 A CB 0.345 19.343 19.000 -0.003 0.000 0.933 319 A HN 0.448 nan 8.150 nan 0.000 0.506 320 G N 0.093 108.862 108.800 -0.050 0.000 2.350 320 G HA2 -0.257 3.703 3.960 0.000 0.000 0.298 320 G HA3 -0.257 3.703 3.960 0.000 0.000 0.298 320 G C -0.130 174.780 174.900 0.015 0.000 1.037 320 G CA 0.827 45.908 45.100 -0.032 0.000 1.074 320 G HN 0.575 nan 8.290 nan 0.000 0.511 321 K N 0.655 121.034 120.400 -0.035 0.000 2.426 321 K HA 0.512 4.832 4.320 0.000 0.000 0.254 321 K C -2.319 174.181 176.600 -0.167 0.000 0.936 321 K CA -2.383 53.856 56.287 -0.081 0.000 0.801 321 K CB 2.469 34.937 32.500 -0.053 0.000 1.139 321 K HN 0.019 nan 8.250 nan 0.000 0.424 322 P HA -0.090 nan 4.420 nan 0.000 0.264 322 P C -0.962 176.220 177.300 -0.197 0.000 1.179 322 P CA -0.165 62.709 63.100 -0.377 0.000 0.763 322 P CB 0.445 31.790 31.700 -0.591 0.000 0.806 323 V N 3.783 123.610 119.914 -0.145 0.000 2.588 323 V HA 0.467 4.587 4.120 0.000 0.000 0.304 323 V C 0.318 176.344 176.094 -0.113 0.000 1.042 323 V CA -0.683 61.554 62.300 -0.104 0.000 0.877 323 V CB 1.867 33.648 31.823 -0.070 0.000 0.996 323 V HN 0.359 nan 8.190 nan 0.000 0.425 324 I N 2.873 123.362 120.570 -0.136 0.000 2.460 324 I HA 0.462 4.632 4.170 0.000 0.000 0.298 324 I C -0.328 175.723 176.117 -0.110 0.000 0.989 324 I CA -0.347 60.870 61.300 -0.138 0.000 1.173 324 I CB 1.823 39.685 38.000 -0.229 0.000 1.338 324 I HN 0.693 nan 8.210 nan 0.000 0.456 325 C N 6.233 125.488 119.300 -0.075 0.000 2.281 325 C HA 0.862 5.322 4.460 0.000 0.000 0.323 325 C C 0.283 175.246 174.990 -0.046 0.000 1.270 325 C CA -0.072 58.912 59.018 -0.056 0.000 1.559 325 C CB -0.396 27.324 27.740 -0.033 0.000 2.239 325 C HN 0.879 nan 8.230 nan 0.000 0.488 326 A N 4.389 127.180 122.820 -0.049 0.000 2.435 326 A HA 0.959 5.279 4.320 0.000 0.000 0.296 326 A C -0.049 177.528 177.584 -0.011 0.000 1.147 326 A CA -0.143 51.876 52.037 -0.030 0.000 0.775 326 A CB 0.883 19.853 19.000 -0.050 0.000 1.340 326 A HN 1.503 nan 8.150 nan 0.000 0.427 327 T N 0.880 115.437 114.554 0.005 0.000 0.564 327 T HA -0.106 4.244 4.350 0.000 0.000 0.771 327 T C 0.183 174.893 174.700 0.017 0.000 0.992 327 T CA 0.922 63.031 62.100 0.015 0.000 4.064 327 T CB -1.287 67.589 68.868 0.012 0.000 2.295 327 T HN 1.495 nan 8.240 nan 0.000 0.396 328 Q N -0.576 119.239 119.800 0.024 0.000 2.374 328 Q HA -0.264 4.076 4.340 0.000 0.000 0.218 328 Q C 1.689 177.703 176.000 0.024 0.000 0.691 328 Q CA 1.628 57.446 55.803 0.025 0.000 1.340 328 Q CB -1.285 27.467 28.738 0.023 0.000 1.498 328 Q HN 0.881 nan 8.270 nan 0.000 0.739 329 M N -0.653 118.961 119.600 0.024 0.000 2.082 329 M HA -0.169 4.311 4.480 0.000 0.000 0.258 329 M C 1.129 177.444 176.300 0.025 0.000 1.069 329 M CA 1.469 56.782 55.300 0.023 0.000 1.102 329 M CB -0.095 32.519 32.600 0.024 0.000 1.336 329 M HN 0.111 nan 8.290 nan 0.000 0.404 330 L N -0.261 120.980 121.223 0.031 0.000 3.289 330 L HA 0.199 4.539 4.340 0.000 0.000 0.291 330 L C 1.480 178.371 176.870 0.035 0.000 1.279 330 L CA 0.292 55.150 54.840 0.031 0.000 1.025 330 L CB -0.413 41.669 42.059 0.037 0.000 1.413 330 L HN 0.204 nan 8.230 nan 0.000 0.593 331 E N 0.527 120.747 120.200 0.034 0.000 2.172 331 E HA -0.317 4.033 4.350 0.000 0.000 0.213 331 E C 1.859 178.483 176.600 0.040 0.000 1.051 331 E CA 2.189 58.611 56.400 0.038 0.000 0.860 331 E CB 0.082 29.801 29.700 0.032 0.000 0.755 331 E HN 0.615 nan 8.360 nan 0.000 0.462 332 S N 0.153 115.871 115.700 0.029 0.000 2.469 332 S HA -0.085 4.385 4.470 0.000 0.000 0.238 332 S C 1.895 176.517 174.600 0.037 0.000 0.998 332 S CA 0.819 59.035 58.200 0.027 0.000 0.957 332 S CB -0.285 62.922 63.200 0.011 0.000 0.764 332 S HN 0.211 nan 8.310 nan 0.000 0.514 333 M N 0.523 120.148 119.600 0.043 0.000 2.630 333 M HA 0.165 4.645 4.480 0.000 0.000 0.254 333 M C 1.656 178.060 176.300 0.174 0.000 1.092 333 M CA 0.771 56.107 55.300 0.061 0.000 1.087 333 M CB -0.526 32.101 32.600 0.046 0.000 1.453 333 M HN 0.349 nan 8.290 nan 0.000 0.509 334 I N 0.148 120.804 120.570 0.144 0.000 2.315 334 I HA -0.272 3.898 4.170 0.000 0.000 0.248 334 I C 2.126 178.362 176.117 0.200 0.000 1.117 334 I CA 1.393 62.785 61.300 0.152 0.000 1.404 334 I CB -0.040 38.017 38.000 0.094 0.000 1.071 334 I HN 0.271 nan 8.210 nan 0.000 0.419 335 K N -0.530 119.983 120.400 0.188 0.000 2.425 335 K HA 0.204 4.524 4.320 0.000 0.000 0.201 335 K C 0.386 177.128 176.600 0.237 0.000 1.128 335 K CA 0.084 56.492 56.287 0.201 0.000 1.000 335 K CB 0.938 33.504 32.500 0.110 0.000 0.961 335 K HN 0.070 nan 8.250 nan 0.000 0.555 336 K N 0.897 121.356 120.400 0.098 0.000 2.328 336 K HA 0.221 4.541 4.320 0.000 0.000 0.246 336 K C -2.264 174.061 176.600 -0.460 0.000 0.955 336 K CA -2.195 54.031 56.287 -0.102 0.000 0.817 336 K CB 2.180 34.639 32.500 -0.069 0.000 1.208 336 K HN -0.292 nan 8.250 nan 0.000 0.432 337 P HA 0.013 nan 4.420 nan 0.000 0.241 337 P C -0.678 176.403 177.300 -0.365 0.000 1.191 337 P CA 0.553 63.106 63.100 -0.913 0.000 0.771 337 P CB 0.494 31.777 31.700 -0.696 0.000 0.929 338 R N 0.254 120.617 120.500 -0.228 0.000 2.621 338 R HA 0.465 4.805 4.340 0.000 0.000 0.284 338 R C -2.695 173.563 176.300 -0.072 0.000 0.998 338 R CA -2.030 54.000 56.100 -0.117 0.000 0.895 338 R CB 2.018 32.264 30.300 -0.090 0.000 1.195 338 R HN -0.044 nan 8.270 nan 0.000 0.450 339 P HA 0.143 nan 4.420 nan 0.000 0.279 339 P C -0.322 176.967 177.300 -0.018 0.000 1.276 339 P CA -0.413 62.674 63.100 -0.022 0.000 0.801 339 P CB 0.621 32.316 31.700 -0.009 0.000 1.127 340 T N -2.237 112.311 114.554 -0.011 0.000 2.849 340 T HA 0.299 4.649 4.350 0.000 0.000 0.276 340 T C 1.380 176.074 174.700 -0.010 0.000 0.971 340 T CA -0.753 61.341 62.100 -0.010 0.000 0.949 340 T CB 0.548 69.413 68.868 -0.006 0.000 1.093 340 T HN 0.202 nan 8.240 nan 0.000 0.545 341 R N 0.159 120.652 120.500 -0.011 0.000 2.189 341 R HA 0.098 4.438 4.340 0.000 0.000 0.218 341 R C 2.497 178.790 176.300 -0.011 0.000 1.074 341 R CA 1.049 57.141 56.100 -0.012 0.000 0.991 341 R CB -1.430 28.861 30.300 -0.015 0.000 0.883 341 R HN 0.785 nan 8.270 nan 0.000 0.457 342 A N 1.874 124.689 122.820 -0.009 0.000 1.873 342 A HA -0.176 4.144 4.320 0.000 0.000 0.215 342 A C 2.018 179.600 177.584 -0.004 0.000 1.186 342 A CA 1.308 53.340 52.037 -0.008 0.000 0.616 342 A CB -0.344 18.652 19.000 -0.006 0.000 0.823 342 A HN 0.289 nan 8.150 nan 0.000 0.442 343 E N -0.465 119.735 120.200 -0.001 0.000 2.097 343 E HA -0.138 4.212 4.350 0.000 0.000 0.196 343 E C 2.062 178.664 176.600 0.004 0.000 1.000 343 E CA 1.140 57.543 56.400 0.004 0.000 0.804 343 E CB -0.422 29.282 29.700 0.007 0.000 0.740 343 E HN 0.608 nan 8.360 nan 0.000 0.454 344 G N 0.623 109.422 108.800 -0.001 0.000 2.418 344 G HA2 -0.293 3.667 3.960 0.000 0.000 0.217 344 G HA3 -0.293 3.667 3.960 0.000 0.000 0.217 344 G C 1.699 176.597 174.900 -0.002 0.000 1.158 344 G CA 1.093 46.192 45.100 -0.001 0.000 0.771 344 G HN 0.381 nan 8.290 nan 0.000 0.545 345 S N 0.755 116.451 115.700 -0.006 0.000 2.423 345 S HA -0.099 4.371 4.470 0.000 0.000 0.231 345 S C 1.792 176.391 174.600 -0.002 0.000 1.014 345 S CA 1.428 59.623 58.200 -0.008 0.000 0.965 345 S CB -0.198 62.992 63.200 -0.016 0.000 0.785 345 S HN 0.356 nan 8.310 nan 0.000 0.495 346 D N 1.901 122.301 120.400 0.000 0.000 2.104 346 D HA -0.106 4.534 4.640 0.000 0.000 0.194 346 D C 1.832 178.138 176.300 0.010 0.000 0.994 346 D CA 1.318 55.321 54.000 0.006 0.000 0.830 346 D CB -0.375 40.430 40.800 0.010 0.000 0.959 346 D HN 0.274 nan 8.370 nan 0.000 0.452 347 V N 0.964 120.885 119.914 0.012 0.000 2.237 347 V HA -0.203 3.917 4.120 0.000 0.000 0.245 347 V C 2.656 178.760 176.094 0.016 0.000 1.046 347 V CA 1.880 64.189 62.300 0.016 0.000 1.007 347 V CB -1.216 30.619 31.823 0.020 0.000 0.638 347 V HN 0.327 nan 8.190 nan 0.000 0.445 348 A N 0.525 123.352 122.820 0.011 0.000 1.869 348 A HA -0.374 3.946 4.320 0.000 0.000 0.218 348 A C 2.045 179.639 177.584 0.016 0.000 1.203 348 A CA 2.845 54.889 52.037 0.012 0.000 0.638 348 A CB -1.171 17.832 19.000 0.005 0.000 0.831 348 A HN 0.677 nan 8.150 nan 0.000 0.450 349 N N -0.261 118.447 118.700 0.012 0.000 2.104 349 N HA -0.074 4.666 4.740 0.000 0.000 0.190 349 N C 1.865 177.384 175.510 0.016 0.000 1.024 349 N CA 1.380 54.439 53.050 0.015 0.000 0.853 349 N CB -0.290 38.201 38.487 0.006 0.000 1.008 349 N HN 0.524 nan 8.380 nan 0.000 0.424 350 A N 0.254 123.082 122.820 0.014 0.000 1.978 350 A HA -0.104 4.216 4.320 0.000 0.000 0.220 350 A C 2.285 179.877 177.584 0.013 0.000 1.170 350 A CA 1.170 53.213 52.037 0.010 0.000 0.636 350 A CB -0.614 18.391 19.000 0.008 0.000 0.810 350 A HN 0.126 nan 8.150 nan 0.000 0.448 351 V N -0.439 119.487 119.914 0.020 0.000 2.283 351 V HA -0.172 3.948 4.120 0.000 0.000 0.243 351 V C 2.393 178.505 176.094 0.028 0.000 1.039 351 V CA 1.557 63.874 62.300 0.028 0.000 1.016 351 V CB -0.716 31.128 31.823 0.035 0.000 0.650 351 V HN 0.461 nan 8.190 nan 0.000 0.449 352 L N 0.276 121.518 121.223 0.031 0.000 2.129 352 L HA -0.194 4.146 4.340 0.000 0.000 0.212 352 L C 2.049 178.934 176.870 0.026 0.000 1.087 352 L CA 1.781 56.645 54.840 0.040 0.000 0.757 352 L CB -1.275 40.817 42.059 0.055 0.000 0.896 352 L HN 0.364 nan 8.230 nan 0.000 0.434 353 D N -0.664 119.745 120.400 0.015 0.000 2.224 353 D HA 0.032 4.672 4.640 0.000 0.000 0.205 353 D C 1.745 178.042 176.300 -0.005 0.000 0.965 353 D CA 1.244 55.245 54.000 0.001 0.000 0.852 353 D CB 0.094 40.894 40.800 -0.000 0.000 0.947 353 D HN 0.397 nan 8.370 nan 0.000 0.494 354 G N -0.421 108.380 108.800 0.003 0.000 2.143 354 G HA2 -0.097 3.863 3.960 0.000 0.000 0.175 354 G HA3 -0.097 3.863 3.960 0.000 0.000 0.175 354 G C 0.339 175.237 174.900 -0.004 0.000 1.004 354 G CA 0.048 45.150 45.100 0.003 0.000 0.671 354 G HN 0.536 nan 8.290 nan 0.000 0.512 355 A N 0.337 123.154 122.820 -0.006 0.000 2.491 355 A HA 0.540 4.860 4.320 0.000 0.000 0.261 355 A C 1.183 178.762 177.584 -0.008 0.000 1.101 355 A CA 1.018 53.044 52.037 -0.018 0.000 0.772 355 A CB 0.128 19.118 19.000 -0.017 0.000 1.043 355 A HN 0.324 nan 8.150 nan 0.000 0.501 356 D N 0.935 121.317 120.400 -0.030 0.000 2.104 356 D HA -0.065 4.575 4.640 0.000 0.000 0.194 356 D C 0.378 176.681 176.300 0.005 0.000 0.994 356 D CA 1.843 55.831 54.000 -0.020 0.000 0.830 356 D CB -0.200 40.547 40.800 -0.087 0.000 0.959 356 D HN 0.606 nan 8.370 nan 0.000 0.452 357 C N 0.483 119.775 119.300 -0.013 0.000 2.898 357 C HA 0.650 5.110 4.460 0.000 0.000 0.304 357 C C 0.383 175.375 174.990 0.004 0.000 1.237 357 C CA -1.453 57.573 59.018 0.013 0.000 1.529 357 C CB 1.401 29.157 27.740 0.027 0.000 2.021 357 C HN 0.224 nan 8.230 nan 0.000 0.474 358 I N -0.359 120.226 120.570 0.024 0.000 3.660 358 I HA 0.794 4.964 4.170 0.000 0.000 0.285 358 I C -0.495 175.634 176.117 0.021 0.000 1.266 358 I CA -0.935 60.376 61.300 0.018 0.000 0.987 358 I CB 1.365 39.382 38.000 0.028 0.000 1.417 358 I HN 0.870 nan 8.210 nan 0.000 0.590 359 M N 1.726 121.340 119.600 0.024 0.000 2.426 359 M HA 0.492 4.972 4.480 0.000 0.000 0.289 359 M C -2.446 173.879 176.300 0.041 0.000 1.168 359 M CA -0.518 54.803 55.300 0.034 0.000 0.933 359 M CB 2.371 34.984 32.600 0.022 0.000 1.750 359 M HN 0.503 nan 8.290 nan 0.000 0.494 360 L N 2.419 123.673 121.223 0.052 0.000 2.334 360 L HA 0.682 5.022 4.340 0.000 0.000 0.276 360 L C 0.036 176.942 176.870 0.061 0.000 1.014 360 L CA 0.148 55.020 54.840 0.055 0.000 0.815 360 L CB 2.037 44.130 42.059 0.058 0.000 1.268 360 L HN 0.850 nan 8.230 nan 0.000 0.428 361 S N 0.781 116.517 115.700 0.059 0.000 3.290 361 S HA 0.218 4.688 4.470 0.000 0.000 0.176 361 S C 1.491 176.131 174.600 0.066 0.000 0.815 361 S CA 0.297 58.535 58.200 0.064 0.000 1.075 361 S CB -0.443 62.791 63.200 0.056 0.000 0.879 361 S HN 0.816 nan 8.310 nan 0.000 0.795 362 G N 1.116 109.954 108.800 0.064 0.000 2.559 362 G HA2 -0.087 3.873 3.960 0.000 0.000 0.216 362 G HA3 -0.087 3.873 3.960 0.000 0.000 0.216 362 G C 0.840 175.781 174.900 0.068 0.000 1.126 362 G CA 0.632 45.772 45.100 0.067 0.000 0.778 362 G HN 0.490 nan 8.290 nan 0.000 0.543 363 E N 0.134 120.374 120.200 0.068 0.000 2.204 363 E HA -0.063 4.287 4.350 0.000 0.000 0.195 363 E C 2.450 179.097 176.600 0.079 0.000 0.990 363 E CA 1.552 57.997 56.400 0.076 0.000 0.821 363 E CB -0.081 29.662 29.700 0.071 0.000 0.750 363 E HN 0.537 nan 8.360 nan 0.000 0.477 364 T N -4.042 110.553 114.554 0.069 0.000 3.043 364 T HA 0.575 4.925 4.350 0.000 0.000 0.272 364 T C 1.319 176.054 174.700 0.058 0.000 0.990 364 T CA 0.112 62.249 62.100 0.062 0.000 0.897 364 T CB 0.740 69.644 68.868 0.059 0.000 1.111 364 T HN 0.104 nan 8.240 nan 0.000 0.529 365 A N 1.839 124.698 122.820 0.066 0.000 1.970 365 A HA 0.492 4.812 4.320 0.000 0.000 0.204 365 A C 1.993 179.619 177.584 0.070 0.000 1.325 365 A CA 0.103 52.185 52.037 0.074 0.000 0.767 365 A CB 0.182 19.237 19.000 0.092 0.000 0.949 365 A HN 0.312 nan 8.150 nan 0.000 0.481 366 K N -0.433 120.005 120.400 0.064 0.000 2.374 366 K HA 0.216 4.536 4.320 0.000 0.000 0.202 366 K C 0.604 177.225 176.600 0.035 0.000 1.040 366 K CA 0.232 56.550 56.287 0.052 0.000 1.085 366 K CB 0.856 33.391 32.500 0.058 0.000 0.873 366 K HN 0.409 nan 8.250 nan 0.000 0.539 367 G N 0.307 109.130 108.800 0.038 0.000 2.451 367 G HA2 0.045 4.005 3.960 0.000 0.000 0.303 367 G HA3 0.045 4.005 3.960 0.000 0.000 0.303 367 G C -0.146 174.738 174.900 -0.028 0.000 1.166 367 G CA -0.432 44.689 45.100 0.035 0.000 0.884 367 G HN -0.023 nan 8.290 nan 0.000 0.514 368 D N -0.707 119.640 120.400 -0.089 0.000 2.371 368 D HA 0.013 4.653 4.640 0.000 0.000 0.221 368 D C -0.236 175.551 176.300 -0.854 0.000 0.986 368 D CA 1.161 54.904 54.000 -0.429 0.000 0.899 368 D CB 0.049 40.555 40.800 -0.489 0.000 0.902 368 D HN 0.434 nan 8.370 nan 0.000 0.530 369 Y N -1.552 118.764 120.300 0.026 0.000 2.634 369 Y HA 0.211 4.761 4.550 0.000 0.000 0.300 369 Y C -1.833 174.085 175.900 0.030 0.000 0.977 369 Y CA -1.569 56.547 58.100 0.027 0.000 1.134 369 Y CB 1.168 39.644 38.460 0.026 0.000 1.161 369 Y HN -0.121 nan 8.280 nan 0.000 0.623 370 P HA -0.188 nan 4.420 nan 0.000 0.214 370 P C 1.574 178.928 177.300 0.090 0.000 1.163 370 P CA 1.585 64.736 63.100 0.086 0.000 0.883 370 P CB 0.606 32.335 31.700 0.049 0.000 0.788 371 L N -0.579 120.697 121.223 0.087 0.000 1.976 371 L HA -0.192 4.148 4.340 0.000 0.000 0.209 371 L C 2.586 179.511 176.870 0.092 0.000 1.071 371 L CA 1.732 56.619 54.840 0.078 0.000 0.746 371 L CB -1.422 40.678 42.059 0.069 0.000 0.890 371 L HN -0.094 nan 8.230 nan 0.000 0.432 372 E N 0.358 120.634 120.200 0.126 0.000 2.164 372 E HA -0.300 4.050 4.350 0.000 0.000 0.206 372 E C 2.146 178.799 176.600 0.089 0.000 1.032 372 E CA 1.815 58.283 56.400 0.114 0.000 0.832 372 E CB -0.349 29.441 29.700 0.150 0.000 0.742 372 E HN 0.523 nan 8.360 nan 0.000 0.460 373 A N 0.060 122.941 122.820 0.103 0.000 1.929 373 A HA -0.104 4.216 4.320 0.000 0.000 0.216 373 A C 2.413 180.044 177.584 0.078 0.000 1.176 373 A CA 1.228 53.315 52.037 0.083 0.000 0.628 373 A CB -0.350 18.706 19.000 0.092 0.000 0.816 373 A HN 0.154 nan 8.150 nan 0.000 0.444 374 V N -0.326 119.633 119.914 0.076 0.000 2.427 374 V HA -0.210 3.910 4.120 0.000 0.000 0.248 374 V C 2.540 178.687 176.094 0.089 0.000 1.051 374 V CA 2.096 64.438 62.300 0.069 0.000 1.048 374 V CB -0.845 31.006 31.823 0.047 0.000 0.666 374 V HN 0.491 nan 8.190 nan 0.000 0.456 375 R N -0.857 119.696 120.500 0.087 0.000 2.081 375 R HA -0.151 4.189 4.340 0.000 0.000 0.235 375 R C 2.286 178.673 176.300 0.146 0.000 1.131 375 R CA 1.782 57.954 56.100 0.119 0.000 0.960 375 R CB -0.418 29.938 30.300 0.093 0.000 0.856 375 R HN 0.323 nan 8.270 nan 0.000 0.436 376 M N 0.723 120.381 119.600 0.096 0.000 2.117 376 M HA -0.178 4.302 4.480 0.000 0.000 0.262 376 M C 1.821 178.165 176.300 0.074 0.000 1.065 376 M CA 1.758 57.100 55.300 0.070 0.000 1.114 376 M CB -0.118 32.509 32.600 0.044 0.000 1.361 376 M HN 0.100 nan 8.290 nan 0.000 0.408 377 Q N -1.952 117.903 119.800 0.092 0.000 2.172 377 Q HA -0.207 4.133 4.340 0.000 0.000 0.200 377 Q C 2.050 178.120 176.000 0.116 0.000 0.964 377 Q CA 1.619 57.475 55.803 0.088 0.000 0.855 377 Q CB -0.467 28.324 28.738 0.089 0.000 0.918 377 Q HN 0.681 nan 8.270 nan 0.000 0.444 378 H N 0.992 120.087 119.070 0.042 0.000 2.293 378 H HA -0.131 4.425 4.556 0.000 0.000 0.300 378 H C 1.793 177.148 175.328 0.045 0.000 1.082 378 H CA 1.386 57.463 56.048 0.049 0.000 1.308 378 H CB -0.161 29.633 29.762 0.053 0.000 1.375 378 H HN 0.035 nan 8.280 nan 0.000 0.495 379 L N 0.751 121.884 121.223 -0.150 0.000 1.990 379 L HA -0.213 4.127 4.340 0.000 0.000 0.213 379 L C 2.692 179.492 176.870 -0.118 0.000 1.072 379 L CA 1.722 56.454 54.840 -0.180 0.000 0.755 379 L CB -1.126 40.907 42.059 -0.043 0.000 0.889 379 L HN 0.468 nan 8.230 nan 0.000 0.432 380 I N -0.944 119.598 120.570 -0.046 0.000 2.151 380 I HA -0.366 3.804 4.170 0.000 0.000 0.243 380 I C 2.603 178.709 176.117 -0.019 0.000 1.080 380 I CA 1.406 62.693 61.300 -0.021 0.000 1.339 380 I CB -0.888 37.113 38.000 0.003 0.000 1.039 380 I HN 0.276 nan 8.210 nan 0.000 0.409 381 A N 1.659 124.470 122.820 -0.014 0.000 1.851 381 A HA -0.221 4.099 4.320 0.000 0.000 0.216 381 A C 2.426 180.004 177.584 -0.009 0.000 1.195 381 A CA 1.748 53.789 52.037 0.007 0.000 0.622 381 A CB -0.745 18.278 19.000 0.039 0.000 0.831 381 A HN 0.363 nan 8.150 nan 0.000 0.444 382 R N -0.520 119.941 120.500 -0.065 0.000 2.133 382 R HA -0.182 4.158 4.340 0.000 0.000 0.247 382 R C 1.897 178.181 176.300 -0.026 0.000 1.151 382 R CA 1.477 57.539 56.100 -0.062 0.000 0.971 382 R CB -0.587 29.634 30.300 -0.131 0.000 0.866 382 R HN 0.519 nan 8.270 nan 0.000 0.447 383 E N 0.802 120.983 120.200 -0.031 0.000 2.028 383 E HA -0.080 4.270 4.350 0.000 0.000 0.191 383 E C 2.091 178.697 176.600 0.011 0.000 0.988 383 E CA 1.466 57.859 56.400 -0.012 0.000 0.799 383 E CB -0.261 29.427 29.700 -0.020 0.000 0.755 383 E HN 0.363 nan 8.360 nan 0.000 0.447 384 A N 1.175 124.003 122.820 0.013 0.000 1.929 384 A HA -0.151 4.169 4.320 0.000 0.000 0.216 384 A C 1.967 179.584 177.584 0.055 0.000 1.176 384 A CA 1.301 53.354 52.037 0.028 0.000 0.628 384 A CB -0.430 18.583 19.000 0.022 0.000 0.816 384 A HN 0.198 nan 8.150 nan 0.000 0.444 385 E N -0.054 120.183 120.200 0.063 0.000 2.209 385 E HA -0.111 4.239 4.350 0.000 0.000 0.196 385 E C 2.034 178.740 176.600 0.177 0.000 0.993 385 E CA 0.981 57.445 56.400 0.107 0.000 0.819 385 E CB -0.221 29.540 29.700 0.102 0.000 0.745 385 E HN 0.643 nan 8.360 nan 0.000 0.477 386 A N 0.974 123.882 122.820 0.146 0.000 2.021 386 A HA 0.198 4.518 4.320 0.000 0.000 0.216 386 A C 2.270 179.974 177.584 0.201 0.000 1.163 386 A CA 0.843 52.997 52.037 0.195 0.000 0.676 386 A CB -0.155 18.908 19.000 0.105 0.000 0.818 386 A HN 0.250 nan 8.150 nan 0.000 0.453 387 A N -0.247 122.642 122.820 0.116 0.000 2.172 387 A HA 0.174 4.494 4.320 0.000 0.000 0.216 387 A C 1.237 178.942 177.584 0.201 0.000 1.154 387 A CA 0.470 52.555 52.037 0.080 0.000 0.701 387 A CB -0.663 18.344 19.000 0.012 0.000 0.789 387 A HN 0.597 nan 8.150 nan 0.000 0.465 388 M N -1.594 118.086 119.600 0.134 0.000 2.207 388 M HA 0.185 4.665 4.480 0.000 0.000 0.311 388 M C -0.038 176.280 176.300 0.031 0.000 1.127 388 M CA 0.096 55.406 55.300 0.016 0.000 1.181 388 M CB 0.141 32.554 32.600 -0.311 0.000 1.409 388 M HN 0.206 nan 8.290 nan 0.000 0.461 389 F N 1.700 121.500 119.950 -0.251 0.000 2.387 389 F HA 0.295 4.822 4.527 0.000 0.000 0.332 389 F C 0.663 176.313 175.800 -0.250 0.000 1.174 389 F CA -1.038 56.716 58.000 -0.410 0.000 1.257 389 F CB -0.885 37.963 39.000 -0.254 0.000 1.569 389 F HN 0.556 nan 8.300 nan 0.000 0.554 390 H N 0.875 119.974 119.070 0.049 0.000 2.352 390 H HA -0.148 4.408 4.556 0.000 0.000 0.299 390 H C 2.454 177.626 175.328 -0.262 0.000 1.097 390 H CA 2.212 58.212 56.048 -0.080 0.000 1.311 390 H CB -0.013 29.665 29.762 -0.141 0.000 1.377 390 H HN 0.422 nan 8.280 nan 0.000 0.504 391 R N 1.030 121.366 120.500 -0.272 0.000 2.097 391 R HA -0.209 4.131 4.340 0.000 0.000 0.236 391 R C 2.145 178.250 176.300 -0.326 0.000 1.135 391 R CA 2.048 57.933 56.100 -0.358 0.000 0.934 391 R CB -0.086 30.036 30.300 -0.296 0.000 0.846 391 R HN 0.192 nan 8.270 nan 0.000 0.431 392 K N 0.110 120.076 120.400 -0.723 0.000 2.057 392 K HA -0.150 4.170 4.320 0.000 0.000 0.207 392 K C 2.065 178.529 176.600 -0.227 0.000 1.049 392 K CA 1.259 57.217 56.287 -0.548 0.000 0.931 392 K CB -0.321 31.692 32.500 -0.811 0.000 0.714 392 K HN 0.098 nan 8.250 nan 0.000 0.440 393 L N 0.517 121.633 121.223 -0.177 0.000 1.997 393 L HA -0.213 4.127 4.340 0.000 0.000 0.216 393 L C 1.940 178.850 176.870 0.066 0.000 1.074 393 L CA 1.866 56.690 54.840 -0.028 0.000 0.763 393 L CB -0.878 41.193 42.059 0.021 0.000 0.890 393 L HN 0.250 nan 8.230 nan 0.000 0.434 394 F N 0.660 120.631 119.950 0.035 0.000 2.120 394 F HA -0.273 4.254 4.527 -0.000 0.000 0.300 394 F C 2.320 178.185 175.800 0.108 0.000 1.095 394 F CA 2.301 60.395 58.000 0.157 0.000 1.249 394 F CB -0.314 38.870 39.000 0.307 0.000 0.995 394 F HN 0.326 nan 8.300 nan 0.000 0.480 395 E N -0.125 120.191 120.200 0.192 0.000 2.051 395 E HA -0.222 4.128 4.350 0.000 0.000 0.192 395 E C 2.120 178.718 176.600 -0.003 0.000 0.991 395 E CA 1.590 58.045 56.400 0.091 0.000 0.799 395 E CB -0.343 29.385 29.700 0.046 0.000 0.748 395 E HN 0.579 nan 8.360 nan 0.000 0.449 396 E N 0.624 120.812 120.200 -0.019 0.000 2.085 396 E HA -0.203 4.147 4.350 0.000 0.000 0.194 396 E C 2.073 178.649 176.600 -0.040 0.000 0.994 396 E CA 0.694 57.075 56.400 -0.032 0.000 0.801 396 E CB -0.068 29.607 29.700 -0.043 0.000 0.743 396 E HN 0.076 nan 8.360 nan 0.000 0.453 397 L N 0.622 121.808 121.223 -0.062 0.000 2.127 397 L HA -0.141 4.199 4.340 0.000 0.000 0.211 397 L C 2.188 179.029 176.870 -0.049 0.000 1.089 397 L CA 1.727 56.512 54.840 -0.091 0.000 0.757 397 L CB -0.816 41.160 42.059 -0.139 0.000 0.899 397 L HN 0.073 nan 8.230 nan 0.000 0.434 398 A N -1.689 121.082 122.820 -0.082 0.000 2.021 398 A HA -0.057 4.263 4.320 0.000 0.000 0.216 398 A C 2.378 179.957 177.584 -0.009 0.000 1.163 398 A CA 0.456 52.459 52.037 -0.057 0.000 0.676 398 A CB -0.242 18.637 19.000 -0.200 0.000 0.818 398 A HN 0.265 nan 8.150 nan 0.000 0.453 399 R N 0.545 121.043 120.500 -0.003 0.000 2.090 399 R HA -0.087 4.253 4.340 0.000 0.000 0.228 399 R C 2.511 178.837 176.300 0.044 0.000 1.110 399 R CA 1.517 57.628 56.100 0.018 0.000 0.973 399 R CB -0.403 29.903 30.300 0.011 0.000 0.869 399 R HN 0.704 nan 8.270 nan 0.000 0.440 400 S N 0.996 116.719 115.700 0.037 0.000 2.353 400 S HA -0.173 4.297 4.470 0.000 0.000 0.222 400 S C 2.080 176.776 174.600 0.160 0.000 1.035 400 S CA 1.733 59.970 58.200 0.062 0.000 1.025 400 S CB -0.586 62.628 63.200 0.024 0.000 0.902 400 S HN 0.396 nan 8.310 nan 0.000 0.440 401 S N 2.259 118.027 115.700 0.114 0.000 2.555 401 S HA -0.027 4.443 4.470 0.000 0.000 0.230 401 S C 1.822 176.405 174.600 -0.028 0.000 0.978 401 S CA 0.906 59.142 58.200 0.061 0.000 0.934 401 S CB -0.880 62.349 63.200 0.049 0.000 0.766 401 S HN 0.737 nan 8.310 nan 0.000 0.533 402 S N 2.513 118.255 115.700 0.069 0.000 2.462 402 S HA -0.312 4.158 4.470 0.000 0.000 0.251 402 S C 1.534 176.159 174.600 0.042 0.000 1.018 402 S CA 1.621 59.846 58.200 0.042 0.000 0.988 402 S CB -1.163 62.078 63.200 0.068 0.000 0.766 402 S HN 1.043 nan 8.310 nan 0.000 0.504 403 H N -0.669 118.400 119.070 -0.002 0.000 2.563 403 H HA 0.505 5.061 4.556 0.000 0.000 0.264 403 H C 0.900 176.226 175.328 -0.004 0.000 0.957 403 H CA 0.300 56.346 56.048 -0.003 0.000 1.173 403 H CB -0.265 29.495 29.762 -0.004 0.000 1.420 403 H HN 0.362 nan 8.280 nan 0.000 0.551 404 S N 0.903 116.209 115.700 -0.657 0.000 2.508 404 S HA 0.235 4.705 4.470 0.000 0.000 0.284 404 S C 0.767 175.249 174.600 -0.197 0.000 1.192 404 S CA -0.159 57.793 58.200 -0.414 0.000 1.070 404 S CB 0.995 63.915 63.200 -0.467 0.000 1.004 404 S HN 0.521 nan 8.310 nan 0.000 0.493 405 T N 0.679 115.156 114.554 -0.128 0.000 3.228 405 T HA 0.232 4.582 4.350 0.000 0.000 0.278 405 T C 0.029 174.671 174.700 -0.097 0.000 1.014 405 T CA -0.583 61.462 62.100 -0.092 0.000 0.904 405 T CB -0.285 68.548 68.868 -0.058 0.000 1.110 405 T HN 0.598 nan 8.240 nan 0.000 0.541 406 D N 0.991 121.321 120.400 -0.117 0.000 2.406 406 D HA 0.072 4.712 4.640 0.000 0.000 0.234 406 D C 0.958 177.140 176.300 -0.198 0.000 1.196 406 D CA -0.472 53.440 54.000 -0.146 0.000 0.881 406 D CB 0.594 41.310 40.800 -0.141 0.000 1.205 406 D HN -0.042 nan 8.370 nan 0.000 0.453 407 L N 2.053 123.081 121.223 -0.326 0.000 2.221 407 L HA 0.090 4.430 4.340 0.000 0.000 0.202 407 L C 2.046 178.570 176.870 -0.577 0.000 1.074 407 L CA 0.856 55.440 54.840 -0.427 0.000 0.795 407 L CB -1.200 40.621 42.059 -0.398 0.000 0.960 407 L HN 0.565 nan 8.230 nan 0.000 0.458 408 M N -0.383 118.740 119.600 -0.795 0.000 2.374 408 M HA -0.105 4.375 4.480 0.000 0.000 0.264 408 M C 1.972 178.154 176.300 -0.197 0.000 1.067 408 M CA 1.437 56.433 55.300 -0.507 0.000 1.103 408 M CB -0.379 31.975 32.600 -0.410 0.000 1.402 408 M HN 0.255 nan 8.290 nan 0.000 0.444 409 E N -0.450 119.646 120.200 -0.173 0.000 2.072 409 E HA -0.116 4.234 4.350 0.000 0.000 0.191 409 E C 1.915 178.417 176.600 -0.162 0.000 0.985 409 E CA 1.144 57.499 56.400 -0.076 0.000 0.801 409 E CB -0.133 29.540 29.700 -0.045 0.000 0.750 409 E HN 0.651 nan 8.360 nan 0.000 0.452 410 A N 0.753 123.476 122.820 -0.162 0.000 1.969 410 A HA -0.160 4.160 4.320 0.000 0.000 0.218 410 A C 2.063 179.586 177.584 -0.102 0.000 1.169 410 A CA 1.095 53.048 52.037 -0.139 0.000 0.635 410 A CB -0.243 18.694 19.000 -0.104 0.000 0.810 410 A HN 0.178 nan 8.150 nan 0.000 0.445 411 M N -0.472 119.083 119.600 -0.076 0.000 2.254 411 M HA -0.033 4.447 4.480 0.000 0.000 0.265 411 M C 2.467 178.748 176.300 -0.031 0.000 1.066 411 M CA 1.325 56.613 55.300 -0.019 0.000 1.123 411 M CB -1.488 31.143 32.600 0.051 0.000 1.388 411 M HN 0.486 nan 8.290 nan 0.000 0.425 412 A N 0.674 123.463 122.820 -0.052 0.000 1.845 412 A HA -0.172 4.148 4.320 0.000 0.000 0.215 412 A C 2.245 179.769 177.584 -0.099 0.000 1.195 412 A CA 1.744 53.766 52.037 -0.024 0.000 0.616 412 A CB -0.612 18.434 19.000 0.076 0.000 0.832 412 A HN 0.471 nan 8.150 nan 0.000 0.443 413 M N -0.486 118.937 119.600 -0.295 0.000 2.108 413 M HA -0.130 4.350 4.480 0.000 0.000 0.261 413 M C 2.341 178.639 176.300 -0.002 0.000 1.066 413 M CA 1.547 56.726 55.300 -0.202 0.000 1.107 413 M CB -1.024 31.388 32.600 -0.313 0.000 1.356 413 M HN 0.522 nan 8.290 nan 0.000 0.406 414 G N 0.609 109.374 108.800 -0.058 0.000 2.514 414 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 414 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 414 G C 1.598 176.447 174.900 -0.085 0.000 1.198 414 G CA 1.453 46.519 45.100 -0.057 0.000 0.780 414 G HN 0.528 nan 8.290 nan 0.000 0.565 415 S N 0.469 116.126 115.700 -0.072 0.000 2.382 415 S HA -0.122 4.348 4.470 0.000 0.000 0.228 415 S C 2.459 176.962 174.600 -0.162 0.000 1.027 415 S CA 1.335 59.483 58.200 -0.087 0.000 0.991 415 S CB -0.460 62.716 63.200 -0.041 0.000 0.823 415 S HN 0.229 nan 8.310 nan 0.000 0.469 416 V N 2.022 121.838 119.914 -0.163 0.000 2.295 416 V HA -0.204 3.916 4.120 0.000 0.000 0.246 416 V C 2.573 178.196 176.094 -0.786 0.000 1.049 416 V CA 2.114 64.194 62.300 -0.367 0.000 1.024 416 V CB -0.962 30.827 31.823 -0.058 0.000 0.648 416 V HN 0.367 nan 8.190 nan 0.000 0.447 417 E N 0.916 120.751 120.200 -0.608 0.000 2.049 417 E HA -0.255 4.095 4.350 0.000 0.000 0.198 417 E C 2.176 178.610 176.600 -0.278 0.000 1.007 417 E CA 1.938 58.040 56.400 -0.498 0.000 0.809 417 E CB -0.616 28.904 29.700 -0.299 0.000 0.749 417 E HN 0.538 nan 8.360 nan 0.000 0.450 418 A N -0.019 122.675 122.820 -0.209 0.000 2.019 418 A HA -0.194 4.126 4.320 0.000 0.000 0.219 418 A C 2.301 179.812 177.584 -0.122 0.000 1.164 418 A CA 2.133 54.094 52.037 -0.128 0.000 0.644 418 A CB -0.827 18.115 19.000 -0.097 0.000 0.805 418 A HN 0.422 nan 8.150 nan 0.000 0.449 419 S N -1.674 113.909 115.700 -0.196 0.000 2.428 419 S HA -0.100 4.370 4.470 0.000 0.000 0.230 419 S C 1.825 176.380 174.600 -0.074 0.000 1.014 419 S CA 1.037 59.147 58.200 -0.150 0.000 0.957 419 S CB -0.625 62.466 63.200 -0.183 0.000 0.784 419 S HN 0.492 nan 8.310 nan 0.000 0.499 420 Y N 2.426 122.657 120.300 -0.115 0.000 2.130 420 Y HA 0.152 4.702 4.550 0.000 0.000 0.287 420 Y C 2.619 178.464 175.900 -0.091 0.000 1.124 420 Y CA 0.829 58.856 58.100 -0.122 0.000 1.118 420 Y CB -1.246 37.110 38.460 -0.173 0.000 0.994 420 Y HN 0.225 nan 8.280 nan 0.000 0.497 421 K N 1.153 121.606 120.400 0.088 0.000 2.001 421 K HA -0.236 4.084 4.320 0.000 0.000 0.223 421 K C 2.065 178.674 176.600 0.015 0.000 1.055 421 K CA 2.484 58.788 56.287 0.028 0.000 0.965 421 K CB -1.315 31.181 32.500 -0.007 0.000 0.730 421 K HN 0.493 nan 8.250 nan 0.000 0.449 422 C N 0.408 119.707 119.300 -0.001 0.000 2.578 422 C HA 0.422 4.882 4.460 0.000 0.000 0.285 422 C C 0.170 175.161 174.990 0.001 0.000 1.297 422 C CA -0.649 58.366 59.018 -0.005 0.000 1.690 422 C CB -1.522 26.208 27.740 -0.017 0.000 1.773 422 C HN 0.488 nan 8.230 nan 0.000 0.594 423 L N 0.931 122.162 121.223 0.013 0.000 3.762 423 L HA -0.170 4.170 4.340 0.000 0.000 0.460 423 L C 1.177 178.052 176.870 0.008 0.000 1.255 423 L CA 0.605 55.455 54.840 0.017 0.000 0.783 423 L CB -2.711 39.359 42.059 0.018 0.000 1.600 423 L HN 0.772 nan 8.230 nan 0.000 0.862 424 A N -0.009 122.808 122.820 -0.005 0.000 2.521 424 A HA 0.477 4.797 4.320 0.000 0.000 0.237 424 A C 1.481 179.079 177.584 0.023 0.000 1.087 424 A CA 0.733 52.766 52.037 -0.006 0.000 0.777 424 A CB 0.249 19.235 19.000 -0.024 0.000 1.035 424 A HN 1.109 nan 8.150 nan 0.000 0.510 425 A N 0.076 122.926 122.820 0.051 0.000 2.195 425 A HA 0.587 4.907 4.320 0.000 0.000 0.210 425 A C 0.934 178.632 177.584 0.190 0.000 1.165 425 A CA 1.496 53.615 52.037 0.135 0.000 0.806 425 A CB -0.494 18.648 19.000 0.237 0.000 0.847 425 A HN 2.512 nan 8.150 nan 0.000 0.482 426 A N -1.891 121.011 122.820 0.137 0.000 2.415 426 A HA 0.583 4.903 4.320 0.000 0.000 0.294 426 A C -2.325 175.311 177.584 0.087 0.000 1.019 426 A CA -0.539 51.587 52.037 0.149 0.000 0.603 426 A CB 0.032 19.248 19.000 0.361 0.000 1.382 426 A HN 0.437 nan 8.150 nan 0.000 0.483 427 L N 0.371 121.650 121.223 0.092 0.000 2.441 427 L HA 0.600 4.940 4.340 0.000 0.000 0.270 427 L C -0.938 175.980 176.870 0.081 0.000 0.973 427 L CA 0.156 55.032 54.840 0.060 0.000 0.842 427 L CB 1.601 43.682 42.059 0.038 0.000 1.239 427 L HN 0.573 nan 8.230 nan 0.000 0.406 428 I N 3.941 124.549 120.570 0.062 0.000 2.325 428 I HA 0.487 4.657 4.170 0.000 0.000 0.291 428 I C -0.541 175.607 176.117 0.052 0.000 1.019 428 I CA -0.363 60.977 61.300 0.066 0.000 1.302 428 I CB 1.148 39.178 38.000 0.051 0.000 1.401 428 I HN 0.215 nan 8.210 nan 0.000 0.485 429 V N 7.344 127.294 119.914 0.060 0.000 2.588 429 V HA 0.409 4.529 4.120 0.000 0.000 0.304 429 V C -0.594 175.527 176.094 0.044 0.000 1.042 429 V CA -0.696 61.634 62.300 0.050 0.000 0.877 429 V CB 2.028 33.879 31.823 0.047 0.000 0.996 429 V HN 0.300 nan 8.190 nan 0.000 0.425 430 L N 3.824 125.074 121.223 0.043 0.000 2.301 430 L HA 0.756 5.096 4.340 0.000 0.000 0.278 430 L C 0.083 176.987 176.870 0.056 0.000 1.022 430 L CA 0.637 55.502 54.840 0.041 0.000 0.854 430 L CB 1.050 43.126 42.059 0.029 0.000 1.226 430 L HN 0.900 nan 8.230 nan 0.000 0.429 431 T N 1.094 115.666 114.554 0.030 0.000 2.883 431 T HA 0.471 4.821 4.350 0.000 0.000 0.301 431 T C 0.433 175.139 174.700 0.009 0.000 1.158 431 T CA -0.327 61.784 62.100 0.018 0.000 1.007 431 T CB 1.478 70.324 68.868 -0.037 0.000 1.186 431 T HN 0.505 nan 8.240 nan 0.000 0.499 432 E N 0.684 120.894 120.200 0.016 0.000 2.228 432 E HA 0.067 4.417 4.350 0.000 0.000 0.197 432 E C 2.300 178.901 176.600 0.002 0.000 0.909 432 E CA 0.993 57.407 56.400 0.024 0.000 0.911 432 E CB -0.379 29.351 29.700 0.050 0.000 0.887 432 E HN 0.660 nan 8.360 nan 0.000 0.481 433 S N -0.255 115.434 115.700 -0.017 0.000 2.355 433 S HA 0.025 4.495 4.470 0.000 0.000 0.222 433 S C 1.794 176.325 174.600 -0.115 0.000 1.031 433 S CA 1.498 59.681 58.200 -0.028 0.000 0.993 433 S CB -0.133 63.053 63.200 -0.023 0.000 0.859 433 S HN 0.378 nan 8.310 nan 0.000 0.453 434 G N 1.102 109.738 108.800 -0.273 0.000 2.541 434 G HA2 -0.226 3.734 3.960 0.000 0.000 0.201 434 G HA3 -0.226 3.734 3.960 0.000 0.000 0.201 434 G C 0.857 175.144 174.900 -1.023 0.000 1.026 434 G CA 0.204 44.891 45.100 -0.688 0.000 0.687 434 G HN 0.381 nan 8.290 nan 0.000 0.492 435 R N 1.725 121.858 120.500 -0.612 0.000 2.293 435 R HA -0.252 4.088 4.340 0.000 0.000 0.228 435 R C 2.965 179.155 176.300 -0.183 0.000 1.105 435 R CA 3.361 59.297 56.100 -0.274 0.000 0.860 435 R CB -1.062 29.205 30.300 -0.055 0.000 0.923 435 R HN 0.631 nan 8.270 nan 0.000 0.414 436 S N -0.057 115.591 115.700 -0.086 0.000 2.409 436 S HA -0.314 4.156 4.470 0.000 0.000 0.237 436 S C 2.008 176.594 174.600 -0.023 0.000 1.060 436 S CA 1.581 59.780 58.200 -0.002 0.000 1.052 436 S CB -0.593 62.641 63.200 0.056 0.000 0.871 436 S HN 0.606 nan 8.310 nan 0.000 0.465 437 A N 1.250 124.002 122.820 -0.113 0.000 1.984 437 A HA 0.053 4.373 4.320 0.000 0.000 0.214 437 A C 1.854 179.412 177.584 -0.044 0.000 1.173 437 A CA 0.667 52.660 52.037 -0.073 0.000 0.673 437 A CB -0.605 18.336 19.000 -0.097 0.000 0.830 437 A HN 0.504 nan 8.150 nan 0.000 0.453 438 H N -0.450 118.501 119.070 -0.199 0.000 2.421 438 H HA -0.110 4.446 4.556 0.000 0.000 0.298 438 H C 1.994 177.268 175.328 -0.089 0.000 1.087 438 H CA 1.854 57.690 56.048 -0.354 0.000 1.330 438 H CB -0.301 29.191 29.762 -0.450 0.000 1.388 438 H HN 0.544 nan 8.280 nan 0.000 0.526 439 Q N 0.132 119.993 119.800 0.102 0.000 2.297 439 Q HA -0.022 4.318 4.340 0.000 0.000 0.204 439 Q C 2.225 178.361 176.000 0.227 0.000 0.962 439 Q CA 0.395 56.287 55.803 0.147 0.000 0.879 439 Q CB 0.207 29.015 28.738 0.117 0.000 0.947 439 Q HN 0.200 nan 8.270 nan 0.000 0.462 440 V N -0.355 119.659 119.914 0.166 0.000 2.488 440 V HA -0.103 4.017 4.120 0.000 0.000 0.246 440 V C 2.013 178.231 176.094 0.206 0.000 1.046 440 V CA 1.445 63.857 62.300 0.187 0.000 1.053 440 V CB -0.659 31.230 31.823 0.110 0.000 0.679 440 V HN 0.421 nan 8.190 nan 0.000 0.458 441 A N 0.648 123.568 122.820 0.166 0.000 1.898 441 A HA -0.224 4.096 4.320 0.000 0.000 0.216 441 A C 2.335 180.005 177.584 0.144 0.000 1.181 441 A CA 1.786 53.927 52.037 0.173 0.000 0.620 441 A CB -0.589 18.530 19.000 0.198 0.000 0.819 441 A HN 0.510 nan 8.150 nan 0.000 0.442 442 R N -1.742 118.816 120.500 0.097 0.000 2.174 442 R HA -0.236 4.104 4.340 0.000 0.000 0.253 442 R C 1.165 177.261 176.300 -0.339 0.000 1.165 442 R CA 2.227 58.269 56.100 -0.097 0.000 0.984 442 R CB -0.470 29.739 30.300 -0.151 0.000 0.873 442 R HN 0.561 nan 8.270 nan 0.000 0.456 443 Y N 0.630 120.981 120.300 0.084 0.000 2.466 443 Y HA 0.249 4.799 4.550 -0.000 0.000 0.272 443 Y C -0.011 176.023 175.900 0.223 0.000 1.169 443 Y CA -0.132 58.024 58.100 0.093 0.000 1.285 443 Y CB 0.424 38.943 38.460 0.098 0.000 1.078 443 Y HN -0.063 nan 8.280 nan 0.000 0.523 444 R N 0.136 120.796 120.500 0.267 0.000 2.557 444 R HA -0.164 4.176 4.340 0.000 0.000 0.289 444 R C -2.930 173.609 176.300 0.398 0.000 1.001 444 R CA 0.099 56.376 56.100 0.295 0.000 0.869 444 R CB -1.532 28.928 30.300 0.267 0.000 2.320 444 R HN 0.255 nan 8.270 nan 0.000 0.517 445 P HA 0.162 nan 4.420 nan 0.000 0.318 445 P C 0.498 177.941 177.300 0.237 0.000 1.309 445 P CA -0.240 62.945 63.100 0.142 0.000 0.736 445 P CB 0.608 32.333 31.700 0.042 0.000 1.440 446 R N -1.409 119.148 120.500 0.096 0.000 2.435 446 R HA 0.377 4.717 4.340 0.000 0.000 0.221 446 R C 0.224 176.523 176.300 -0.002 0.000 0.885 446 R CA 0.082 56.166 56.100 -0.028 0.000 1.018 446 R CB 0.375 30.472 30.300 -0.337 0.000 1.259 446 R HN 0.457 nan 8.270 nan 0.000 0.597 447 A N 2.305 125.124 122.820 -0.003 0.000 2.306 447 A HA 0.616 4.936 4.320 0.000 0.000 0.330 447 A C -2.491 175.087 177.584 -0.009 0.000 1.146 447 A CA -1.919 50.105 52.037 -0.022 0.000 0.827 447 A CB 0.593 19.587 19.000 -0.011 0.000 1.178 447 A HN 0.077 nan 8.150 nan 0.000 0.490 448 P HA 0.098 nan 4.420 nan 0.000 0.266 448 P C -0.727 176.599 177.300 0.043 0.000 1.193 448 P CA 0.620 63.688 63.100 -0.054 0.000 0.770 448 P CB 0.238 31.791 31.700 -0.246 0.000 0.836 449 I N 3.716 124.344 120.570 0.096 0.000 2.442 449 I HA 0.218 4.388 4.170 0.000 0.000 0.279 449 I C 0.512 176.728 176.117 0.165 0.000 1.081 449 I CA -0.745 60.626 61.300 0.118 0.000 1.197 449 I CB 0.223 38.290 38.000 0.111 0.000 1.394 449 I HN 0.089 nan 8.210 nan 0.000 0.488 450 I N 4.337 125.013 120.570 0.177 0.000 2.581 450 I HA 0.160 4.330 4.170 0.000 0.000 0.285 450 I C 0.784 176.995 176.117 0.157 0.000 1.129 450 I CA 0.350 61.777 61.300 0.212 0.000 1.397 450 I CB 0.377 38.497 38.000 0.200 0.000 1.399 450 I HN 0.500 nan 8.210 nan 0.000 0.537 451 A N 7.553 130.464 122.820 0.152 0.000 2.293 451 A HA 0.577 4.897 4.320 0.000 0.000 0.312 451 A C -0.323 177.301 177.584 0.067 0.000 1.309 451 A CA -0.532 51.555 52.037 0.083 0.000 0.839 451 A CB 0.864 19.891 19.000 0.045 0.000 1.155 451 A HN 0.481 nan 8.150 nan 0.000 0.501 452 V N 2.458 122.406 119.914 0.056 0.000 2.432 452 V HA 0.575 4.695 4.120 0.000 0.000 0.271 452 V C 0.608 176.717 176.094 0.025 0.000 1.046 452 V CA 0.113 62.438 62.300 0.042 0.000 0.945 452 V CB 0.842 32.687 31.823 0.037 0.000 0.992 452 V HN 0.889 nan 8.190 nan 0.000 0.471 453 T N 4.350 118.914 114.554 0.017 0.000 2.916 453 T HA 0.417 4.767 4.350 0.000 0.000 0.305 453 T C 0.417 175.122 174.700 0.009 0.000 1.119 453 T CA -0.601 61.508 62.100 0.015 0.000 1.008 453 T CB 1.824 70.696 68.868 0.007 0.000 1.129 453 T HN 0.678 nan 8.240 nan 0.000 0.480 454 R N 1.832 122.351 120.500 0.033 0.000 2.362 454 R HA 0.247 4.587 4.340 0.000 0.000 0.227 454 R C 0.077 176.432 176.300 0.091 0.000 0.905 454 R CA -0.128 56.003 56.100 0.051 0.000 1.067 454 R CB 0.258 30.595 30.300 0.062 0.000 1.078 454 R HN 0.356 nan 8.270 nan 0.000 0.516 455 N N 0.171 118.917 118.700 0.077 0.000 2.476 455 N HA 0.024 4.764 4.740 0.000 0.000 0.257 455 N C 0.114 175.701 175.510 0.130 0.000 0.970 455 N CA -0.022 53.102 53.050 0.122 0.000 0.938 455 N CB 0.875 39.415 38.487 0.087 0.000 1.144 455 N HN 0.046 nan 8.380 nan 0.000 0.500 456 H N 1.839 120.950 119.070 0.068 0.000 2.290 456 H HA -0.087 4.469 4.556 0.000 0.000 0.298 456 H C 1.521 176.895 175.328 0.077 0.000 1.087 456 H CA 1.977 58.075 56.048 0.083 0.000 1.291 456 H CB 0.327 30.141 29.762 0.087 0.000 1.369 456 H HN 0.634 nan 8.280 nan 0.000 0.492 457 Q N -0.348 119.577 119.800 0.209 0.000 2.045 457 Q HA -0.201 4.139 4.340 0.000 0.000 0.206 457 Q C 2.214 178.291 176.000 0.129 0.000 0.991 457 Q CA 2.241 58.130 55.803 0.142 0.000 0.851 457 Q CB -0.190 28.610 28.738 0.103 0.000 0.911 457 Q HN 0.464 nan 8.270 nan 0.000 0.418 458 T N 0.520 115.142 114.554 0.114 0.000 2.685 458 T HA -0.238 4.112 4.350 0.000 0.000 0.268 458 T C 1.660 176.420 174.700 0.099 0.000 1.034 458 T CA 1.482 63.646 62.100 0.106 0.000 1.149 458 T CB -0.308 68.600 68.868 0.066 0.000 0.860 458 T HN 0.451 nan 8.240 nan 0.000 0.449 459 A N 0.676 123.534 122.820 0.063 0.000 2.066 459 A HA 0.027 4.347 4.320 0.000 0.000 0.218 459 A C 2.324 179.923 177.584 0.026 0.000 1.157 459 A CA 1.026 53.068 52.037 0.008 0.000 0.670 459 A CB -0.309 18.667 19.000 -0.039 0.000 0.804 459 A HN 0.378 nan 8.150 nan 0.000 0.453 460 R N -0.826 119.749 120.500 0.125 0.000 2.140 460 R HA 0.002 4.342 4.340 0.000 0.000 0.213 460 R C 2.034 178.508 176.300 0.291 0.000 1.059 460 R CA 1.114 57.350 56.100 0.227 0.000 1.000 460 R CB -0.076 30.326 30.300 0.168 0.000 0.910 460 R HN 0.672 nan 8.270 nan 0.000 0.455 461 Q N -0.268 119.656 119.800 0.207 0.000 2.389 461 Q HA 0.104 4.444 4.340 0.000 0.000 0.204 461 Q C 1.937 178.101 176.000 0.274 0.000 0.944 461 Q CA 0.682 56.619 55.803 0.223 0.000 0.908 461 Q CB 0.190 29.047 28.738 0.197 0.000 1.002 461 Q HN 0.244 nan 8.270 nan 0.000 0.493 462 A N 1.379 124.324 122.820 0.208 0.000 1.903 462 A HA -0.307 4.013 4.320 0.000 0.000 0.219 462 A C 1.452 179.183 177.584 0.244 0.000 1.191 462 A CA 2.041 54.187 52.037 0.181 0.000 0.638 462 A CB -1.080 17.902 19.000 -0.031 0.000 0.823 462 A HN 0.456 nan 8.150 nan 0.000 0.451 463 H N -1.341 117.825 119.070 0.160 0.000 2.444 463 H HA -0.190 4.366 4.556 -0.000 0.000 0.294 463 H C 1.727 177.130 175.328 0.125 0.000 1.125 463 H CA 1.403 57.520 56.048 0.115 0.000 1.230 463 H CB -0.203 29.595 29.762 0.059 0.000 1.361 463 H HN 0.347 nan 8.280 nan 0.000 0.508 464 L N -0.136 121.238 121.223 0.250 0.000 2.189 464 L HA -0.171 4.169 4.340 0.000 0.000 0.214 464 L C -0.048 176.705 176.870 -0.195 0.000 1.097 464 L CA 1.372 56.212 54.840 0.000 0.000 0.764 464 L CB -0.571 41.418 42.059 -0.117 0.000 0.900 464 L HN 0.232 nan 8.230 nan 0.000 0.436 465 Y N -1.282 119.035 120.300 0.029 0.000 2.361 465 Y HA 0.489 5.039 4.550 0.000 0.000 0.332 465 Y C 0.851 176.789 175.900 0.064 0.000 1.101 465 Y CA -1.284 56.832 58.100 0.028 0.000 1.137 465 Y CB 0.516 38.990 38.460 0.024 0.000 1.207 465 Y HN -0.171 nan 8.280 nan 0.000 0.463 466 R N 0.661 121.282 120.500 0.202 0.000 2.537 466 R HA 0.394 4.734 4.340 0.000 0.000 0.280 466 R C 1.149 177.556 176.300 0.179 0.000 1.058 466 R CA 1.331 57.528 56.100 0.161 0.000 1.057 466 R CB -0.073 30.302 30.300 0.125 0.000 0.973 466 R HN 0.963 nan 8.270 nan 0.000 0.438 467 G N 3.688 112.584 108.800 0.161 0.000 2.267 467 G HA2 -0.303 3.657 3.960 0.000 0.000 0.257 467 G HA3 -0.303 3.657 3.960 0.000 0.000 0.257 467 G C 0.281 175.284 174.900 0.172 0.000 0.998 467 G CA 0.245 45.436 45.100 0.151 0.000 0.620 467 G HN 0.556 nan 8.290 nan 0.000 0.529 468 I N 0.589 121.266 120.570 0.179 0.000 2.533 468 I HA 0.375 4.545 4.170 0.000 0.000 0.284 468 I C 0.010 176.213 176.117 0.143 0.000 1.109 468 I CA -0.001 61.392 61.300 0.156 0.000 1.412 468 I CB 0.498 38.574 38.000 0.128 0.000 1.396 468 I HN 0.082 nan 8.210 nan 0.000 0.543 469 F N 9.714 129.677 119.950 0.022 0.000 2.564 469 F HA 0.432 4.959 4.527 -0.000 0.000 0.361 469 F C -2.283 173.502 175.800 -0.024 0.000 1.161 469 F CA -2.701 55.311 58.000 0.019 0.000 1.198 469 F CB 0.733 39.814 39.000 0.135 0.000 1.424 469 F HN 0.235 nan 8.300 nan 0.000 0.517 470 P HA 0.158 nan 4.420 nan 0.000 0.271 470 P C -1.000 176.244 177.300 -0.093 0.000 1.216 470 P CA 0.140 63.161 63.100 -0.131 0.000 0.776 470 P CB 1.820 33.371 31.700 -0.249 0.000 0.881 471 V N 4.013 123.939 119.914 0.020 0.000 2.638 471 V HA 0.263 4.383 4.120 0.000 0.000 0.306 471 V C -0.004 176.103 176.094 0.021 0.000 1.052 471 V CA -0.813 61.522 62.300 0.059 0.000 0.885 471 V CB 2.477 34.391 31.823 0.151 0.000 0.999 471 V HN 0.258 nan 8.190 nan 0.000 0.424 472 V N 4.309 124.241 119.914 0.031 0.000 2.347 472 V HA 0.285 4.405 4.120 0.000 0.000 0.280 472 V C 0.130 176.246 176.094 0.037 0.000 1.021 472 V CA -0.464 61.832 62.300 -0.007 0.000 0.847 472 V CB 1.405 33.163 31.823 -0.107 0.000 0.990 472 V HN 1.097 nan 8.190 nan 0.000 0.444 473 C N 6.555 125.866 119.300 0.017 0.000 2.281 473 C HA 0.440 4.900 4.460 0.000 0.000 0.336 473 C C 1.344 176.353 174.990 0.032 0.000 1.217 473 C CA -0.689 58.346 59.018 0.028 0.000 1.730 473 C CB -0.428 27.325 27.740 0.022 0.000 2.338 473 C HN 0.992 nan 8.230 nan 0.000 0.521 474 K N 2.470 122.892 120.400 0.037 0.000 2.116 474 K HA 0.014 4.334 4.320 0.000 0.000 0.203 474 K C 0.279 176.901 176.600 0.037 0.000 1.052 474 K CA 0.706 57.020 56.287 0.045 0.000 0.952 474 K CB -0.182 32.337 32.500 0.032 0.000 0.729 474 K HN 0.751 nan 8.250 nan 0.000 0.446 475 D N 3.081 123.496 120.400 0.025 0.000 2.667 475 D HA -0.056 4.584 4.640 0.000 0.000 0.226 475 D C -2.285 174.028 176.300 0.021 0.000 1.137 475 D CA -0.335 53.676 54.000 0.017 0.000 0.855 475 D CB -0.028 40.777 40.800 0.008 0.000 1.194 475 D HN 0.048 nan 8.370 nan 0.000 0.492 476 P HA 0.110 nan 4.420 nan 0.000 0.277 476 P C -0.392 176.921 177.300 0.022 0.000 1.271 476 P CA -0.661 62.453 63.100 0.023 0.000 0.795 476 P CB 0.534 32.245 31.700 0.019 0.000 1.101 477 V N 1.376 121.308 119.914 0.031 0.000 2.924 477 V HA 0.069 4.189 4.120 0.000 0.000 0.305 477 V C 0.662 176.774 176.094 0.029 0.000 1.073 477 V CA 0.137 62.460 62.300 0.038 0.000 1.098 477 V CB 0.049 31.906 31.823 0.057 0.000 1.000 477 V HN 0.442 nan 8.190 nan 0.000 0.484 478 Q N 2.216 122.035 119.800 0.031 0.000 2.274 478 Q HA 0.329 4.669 4.340 0.000 0.000 0.260 478 Q C 1.033 177.059 176.000 0.043 0.000 0.974 478 Q CA -0.520 55.297 55.803 0.022 0.000 0.876 478 Q CB 1.738 30.474 28.738 -0.003 0.000 1.297 478 Q HN 0.824 nan 8.270 nan 0.000 0.446 479 E N 1.078 121.297 120.200 0.031 0.000 2.049 479 E HA -0.134 4.216 4.350 0.000 0.000 0.198 479 E C 0.089 176.722 176.600 0.055 0.000 1.007 479 E CA 1.326 57.748 56.400 0.036 0.000 0.809 479 E CB -0.052 29.659 29.700 0.019 0.000 0.749 479 E HN 0.548 nan 8.360 nan 0.000 0.450 480 A N 1.382 124.230 122.820 0.047 0.000 2.289 480 A HA 0.083 4.403 4.320 0.000 0.000 0.298 480 A C 0.517 178.166 177.584 0.109 0.000 1.208 480 A CA -0.594 51.483 52.037 0.067 0.000 0.845 480 A CB -0.067 18.950 19.000 0.028 0.000 1.125 480 A HN 0.544 nan 8.150 nan 0.000 0.517 481 W N 3.043 124.306 121.300 -0.061 0.000 2.280 481 W HA -0.400 4.260 4.660 -0.000 0.000 0.332 481 W C 1.817 178.303 176.519 -0.054 0.000 1.300 481 W CA 2.651 59.958 57.345 -0.063 0.000 1.274 481 W CB -0.247 29.156 29.460 -0.095 0.000 1.141 481 W HN 0.786 nan 8.180 nan 0.000 0.474 482 A N 0.563 123.335 122.820 -0.081 0.000 1.917 482 A HA -0.292 4.028 4.320 0.000 0.000 0.219 482 A C 1.801 179.267 177.584 -0.196 0.000 1.182 482 A CA 2.211 54.131 52.037 -0.196 0.000 0.633 482 A CB -1.121 17.831 19.000 -0.080 0.000 0.819 482 A HN 0.571 nan 8.150 nan 0.000 0.448 483 E N -0.587 119.544 120.200 -0.115 0.000 2.033 483 E HA -0.263 4.087 4.350 0.000 0.000 0.199 483 E C 1.836 178.351 176.600 -0.141 0.000 1.011 483 E CA 1.447 57.790 56.400 -0.095 0.000 0.815 483 E CB -0.335 29.337 29.700 -0.047 0.000 0.755 483 E HN 0.643 nan 8.360 nan 0.000 0.451 484 D N 0.476 120.774 120.400 -0.170 0.000 2.088 484 D HA -0.151 4.489 4.640 0.000 0.000 0.191 484 D C 2.067 178.181 176.300 -0.310 0.000 0.992 484 D CA 0.942 54.821 54.000 -0.202 0.000 0.831 484 D CB -0.302 40.398 40.800 -0.168 0.000 0.973 484 D HN -0.086 nan 8.370 nan 0.000 0.447 485 V N 0.980 120.553 119.914 -0.568 0.000 2.252 485 V HA -0.304 3.816 4.120 0.000 0.000 0.255 485 V C 1.951 177.868 176.094 -0.295 0.000 1.071 485 V CA 2.361 64.309 62.300 -0.585 0.000 1.050 485 V CB -0.425 30.925 31.823 -0.788 0.000 0.654 485 V HN 0.349 nan 8.190 nan 0.000 0.448 486 D N -0.971 119.288 120.400 -0.234 0.000 2.350 486 D HA -0.090 4.550 4.640 0.000 0.000 0.216 486 D C 1.953 178.191 176.300 -0.104 0.000 0.968 486 D CA 1.113 55.030 54.000 -0.138 0.000 0.894 486 D CB 0.251 40.985 40.800 -0.110 0.000 0.909 486 D HN 0.507 nan 8.370 nan 0.000 0.520 487 L N 0.565 121.719 121.223 -0.115 0.000 2.068 487 L HA -0.052 4.288 4.340 0.000 0.000 0.204 487 L C 2.410 179.245 176.870 -0.059 0.000 1.076 487 L CA 0.829 55.624 54.840 -0.075 0.000 0.753 487 L CB -0.018 41.998 42.059 -0.072 0.000 0.910 487 L HN -0.222 nan 8.230 nan 0.000 0.439 488 R N -0.249 120.203 120.500 -0.079 0.000 2.080 488 R HA -0.144 4.196 4.340 0.000 0.000 0.236 488 R C 2.147 178.429 176.300 -0.030 0.000 1.137 488 R CA 1.805 57.875 56.100 -0.050 0.000 0.943 488 R CB -0.979 29.283 30.300 -0.064 0.000 0.846 488 R HN 0.301 nan 8.270 nan 0.000 0.431 489 V N 2.040 121.925 119.914 -0.049 0.000 2.282 489 V HA -0.319 3.801 4.120 0.000 0.000 0.249 489 V C 2.071 178.156 176.094 -0.014 0.000 1.057 489 V CA 1.990 64.272 62.300 -0.030 0.000 1.032 489 V CB -0.764 31.029 31.823 -0.050 0.000 0.645 489 V HN 0.364 nan 8.190 nan 0.000 0.447 490 N N -0.057 118.628 118.700 -0.026 0.000 2.069 490 N HA -0.206 4.534 4.740 0.000 0.000 0.196 490 N C 1.648 177.164 175.510 0.009 0.000 1.024 490 N CA 1.796 54.837 53.050 -0.015 0.000 0.869 490 N CB -0.546 37.928 38.487 -0.022 0.000 1.035 490 N HN 0.368 nan 8.380 nan 0.000 0.434 491 L N 1.092 122.322 121.223 0.012 0.000 1.933 491 L HA -0.167 4.173 4.340 0.000 0.000 0.220 491 L C 2.229 179.131 176.870 0.054 0.000 1.078 491 L CA 2.396 57.254 54.840 0.029 0.000 0.773 491 L CB -1.492 40.584 42.059 0.029 0.000 0.890 491 L HN 0.233 nan 8.230 nan 0.000 0.434 492 A N -1.262 121.600 122.820 0.069 0.000 1.971 492 A HA -0.358 3.962 4.320 0.000 0.000 0.222 492 A C 2.335 180.032 177.584 0.187 0.000 1.182 492 A CA 2.744 54.851 52.037 0.117 0.000 0.649 492 A CB -0.728 18.346 19.000 0.122 0.000 0.818 492 A HN 0.597 nan 8.150 nan 0.000 0.458 493 M N -0.670 119.009 119.600 0.132 0.000 2.086 493 M HA -0.144 4.336 4.480 0.000 0.000 0.261 493 M C 1.740 178.160 176.300 0.199 0.000 1.067 493 M CA 2.054 57.449 55.300 0.158 0.000 1.116 493 M CB -0.388 32.216 32.600 0.005 0.000 1.348 493 M HN 0.565 nan 8.290 nan 0.000 0.407 494 N N -1.183 117.574 118.700 0.094 0.000 2.381 494 N HA -0.101 4.639 4.740 0.000 0.000 0.182 494 N C 1.353 176.873 175.510 0.017 0.000 1.025 494 N CA 0.842 53.925 53.050 0.056 0.000 0.888 494 N CB 0.094 38.597 38.487 0.027 0.000 0.965 494 N HN 0.139 nan 8.380 nan 0.000 0.438 495 V N 0.089 120.010 119.914 0.012 0.000 2.302 495 V HA -0.060 4.060 4.120 0.000 0.000 0.243 495 V C 2.451 178.352 176.094 -0.323 0.000 1.036 495 V CA 1.987 64.227 62.300 -0.101 0.000 1.020 495 V CB -1.223 30.578 31.823 -0.037 0.000 0.657 495 V HN 0.354 nan 8.190 nan 0.000 0.453 496 G N -0.231 108.402 108.800 -0.279 0.000 2.491 496 G HA2 -0.358 3.602 3.960 0.000 0.000 0.218 496 G HA3 -0.358 3.602 3.960 0.000 0.000 0.218 496 G C 1.652 176.015 174.900 -0.895 0.000 1.180 496 G CA 1.413 45.931 45.100 -0.969 0.000 0.774 496 G HN 0.449 nan 8.290 nan 0.000 0.562 497 K N 0.300 120.586 120.400 -0.191 0.000 2.074 497 K HA -0.078 4.242 4.320 0.000 0.000 0.209 497 K C 2.897 179.415 176.600 -0.137 0.000 1.048 497 K CA 1.421 57.714 56.287 0.010 0.000 0.926 497 K CB -0.284 32.319 32.500 0.172 0.000 0.713 497 K HN 0.289 nan 8.250 nan 0.000 0.444 498 A N 0.440 123.145 122.820 -0.192 0.000 1.898 498 A HA -0.119 4.201 4.320 0.000 0.000 0.216 498 A C 2.049 179.471 177.584 -0.270 0.000 1.181 498 A CA 1.393 53.320 52.037 -0.184 0.000 0.620 498 A CB -0.309 18.598 19.000 -0.156 0.000 0.819 498 A HN 0.118 nan 8.150 nan 0.000 0.442 499 R N -1.311 118.883 120.500 -0.510 0.000 2.090 499 R HA 0.130 4.470 4.340 0.000 0.000 0.228 499 R C 1.243 177.335 176.300 -0.347 0.000 1.110 499 R CA 1.048 56.783 56.100 -0.609 0.000 0.973 499 R CB -0.382 28.984 30.300 -1.556 0.000 0.869 499 R HN 0.924 nan 8.270 nan 0.000 0.440 500 G N -1.402 107.195 108.800 -0.339 0.000 2.215 500 G HA2 -0.185 3.775 3.960 0.000 0.000 0.198 500 G HA3 -0.185 3.775 3.960 0.000 0.000 0.198 500 G C 0.328 175.248 174.900 0.034 0.000 1.047 500 G CA -0.094 44.943 45.100 -0.105 0.000 0.747 500 G HN 0.172 nan 8.290 nan 0.000 0.495 501 F N -0.115 119.551 119.950 -0.473 0.000 2.234 501 F HA 0.375 4.902 4.527 0.000 0.000 0.296 501 F C 1.418 176.983 175.800 -0.393 0.000 1.089 501 F CA 0.543 58.217 58.000 -0.542 0.000 1.343 501 F CB -0.362 38.065 39.000 -0.955 0.000 1.040 501 F HN 0.371 nan 8.300 nan 0.000 0.498 502 F N -1.897 118.153 119.950 0.167 0.000 2.685 502 F HA 0.622 5.149 4.527 -0.000 0.000 0.315 502 F C -0.548 175.274 175.800 0.038 0.000 1.126 502 F CA -2.404 55.641 58.000 0.076 0.000 0.950 502 F CB 0.989 40.023 39.000 0.056 0.000 1.360 502 F HN -0.384 nan 8.300 nan 0.000 0.469 503 K N 0.550 121.176 120.400 0.377 0.000 2.331 503 K HA 0.404 4.724 4.320 0.000 0.000 0.238 503 K C 0.737 177.403 176.600 0.110 0.000 1.058 503 K CA -0.788 55.619 56.287 0.201 0.000 0.871 503 K CB 2.534 35.105 32.500 0.119 0.000 1.292 503 K HN 0.790 nan 8.250 nan 0.000 0.470 504 K N 0.168 120.604 120.400 0.061 0.000 2.000 504 K HA -0.182 4.138 4.320 0.000 0.000 0.218 504 K C 1.734 178.330 176.600 -0.007 0.000 1.053 504 K CA 2.332 58.628 56.287 0.016 0.000 0.946 504 K CB -0.720 31.790 32.500 0.016 0.000 0.723 504 K HN 0.784 nan 8.250 nan 0.000 0.446 505 G N 1.149 109.952 108.800 0.005 0.000 2.422 505 G HA2 -0.185 3.775 3.960 0.000 0.000 0.218 505 G HA3 -0.185 3.775 3.960 0.000 0.000 0.218 505 G C 0.098 174.987 174.900 -0.017 0.000 1.146 505 G CA 0.495 45.593 45.100 -0.005 0.000 0.769 505 G HN 0.385 nan 8.290 nan 0.000 0.547 506 D N -0.245 120.152 120.400 -0.005 0.000 2.560 506 D HA 0.123 4.763 4.640 0.000 0.000 0.226 506 D C 0.504 176.761 176.300 -0.073 0.000 1.222 506 D CA 0.346 54.338 54.000 -0.014 0.000 0.880 506 D CB 0.931 41.757 40.800 0.043 0.000 1.234 506 D HN 0.026 nan 8.370 nan 0.000 0.515 507 V N 0.873 120.750 119.914 -0.063 0.000 2.994 507 V HA 0.718 4.838 4.120 0.000 0.000 0.318 507 V C 0.387 176.419 176.094 -0.104 0.000 1.085 507 V CA -0.662 61.590 62.300 -0.081 0.000 0.998 507 V CB 2.312 34.107 31.823 -0.048 0.000 1.063 507 V HN 0.327 nan 8.190 nan 0.000 0.447 508 V N 2.326 122.175 119.914 -0.108 0.000 3.204 508 V HA 0.491 4.611 4.120 0.000 0.000 0.298 508 V C -1.477 174.577 176.094 -0.067 0.000 1.328 508 V CA -0.519 61.720 62.300 -0.101 0.000 1.035 508 V CB 2.482 34.183 31.823 -0.203 0.000 1.095 508 V HN 0.598 nan 8.190 nan 0.000 0.442 509 I N 2.565 123.110 120.570 -0.041 0.000 2.525 509 I HA 0.642 4.812 4.170 0.000 0.000 0.301 509 I C -0.334 175.771 176.117 -0.021 0.000 0.992 509 I CA -0.732 60.547 61.300 -0.034 0.000 1.162 509 I CB 1.831 39.810 38.000 -0.034 0.000 1.332 509 I HN 0.278 nan 8.210 nan 0.000 0.458 510 V N 6.501 126.404 119.914 -0.017 0.000 2.483 510 V HA 0.458 4.578 4.120 0.000 0.000 0.297 510 V C -0.303 175.800 176.094 0.015 0.000 1.027 510 V CA -0.592 61.706 62.300 -0.003 0.000 0.855 510 V CB 2.137 33.951 31.823 -0.014 0.000 0.995 510 V HN 0.421 nan 8.190 nan 0.000 0.424 511 L N 4.784 126.025 121.223 0.031 0.000 2.298 511 L HA 0.793 5.133 4.340 0.000 0.000 0.284 511 L C 0.203 177.116 176.870 0.071 0.000 1.013 511 L CA 0.188 55.059 54.840 0.053 0.000 0.824 511 L CB 1.913 44.007 42.059 0.058 0.000 1.221 511 L HN 0.894 nan 8.230 nan 0.000 0.418 512 T N 0.904 115.516 114.554 0.098 0.000 2.812 512 T HA 0.703 5.053 4.350 0.000 0.000 0.294 512 T C -0.328 174.494 174.700 0.204 0.000 1.159 512 T CA -0.510 61.674 62.100 0.141 0.000 1.008 512 T CB 1.869 70.811 68.868 0.122 0.000 1.289 512 T HN 0.538 nan 8.240 nan 0.000 0.514 513 G N 0.716 109.702 108.800 0.309 0.000 2.322 513 G HA2 0.366 4.326 3.960 0.000 0.000 0.309 513 G HA3 0.366 4.326 3.960 0.000 0.000 0.309 513 G C 0.676 175.874 174.900 0.498 0.000 1.121 513 G CA -0.814 44.465 45.100 0.298 0.000 0.886 513 G HN 0.905 nan 8.290 nan 0.000 0.447 514 W N 3.164 124.532 121.300 0.115 0.000 2.275 514 W HA -0.169 4.491 4.660 0.000 0.000 0.321 514 W C 0.839 177.502 176.519 0.239 0.000 1.269 514 W CA 0.723 58.146 57.345 0.129 0.000 1.274 514 W CB 0.311 29.772 29.460 0.002 0.000 1.141 514 W HN 0.424 nan 8.180 nan 0.000 0.493 515 R N -1.423 119.124 120.500 0.078 0.000 2.922 515 R HA 0.350 4.690 4.340 0.000 0.000 0.256 515 R C -2.511 173.124 176.300 -1.109 0.000 1.138 515 R CA -1.955 53.803 56.100 -0.569 0.000 0.995 515 R CB 0.975 30.997 30.300 -0.464 0.000 1.226 515 R HN -0.312 nan 8.270 nan 0.000 0.481 516 P HA 0.105 nan 4.420 nan 0.000 0.282 516 P C -0.027 176.871 177.300 -0.669 0.000 1.249 516 P CA 0.015 62.198 63.100 -1.529 0.000 0.806 516 P CB 0.792 31.794 31.700 -1.164 0.000 0.984 517 G N 1.854 110.389 108.800 -0.442 0.000 2.305 517 G HA2 -0.307 3.653 3.960 0.000 0.000 0.287 517 G HA3 -0.307 3.653 3.960 0.000 0.000 0.287 517 G C 1.152 175.919 174.900 -0.222 0.000 1.036 517 G CA 0.558 45.512 45.100 -0.243 0.000 0.887 517 G HN 0.438 nan 8.290 nan 0.000 0.505 518 S N -1.138 114.413 115.700 -0.248 0.000 2.355 518 S HA 0.273 4.743 4.470 0.000 0.000 0.222 518 S C 2.402 176.863 174.600 -0.232 0.000 1.031 518 S CA 2.293 60.355 58.200 -0.231 0.000 0.993 518 S CB -0.131 62.947 63.200 -0.204 0.000 0.859 518 S HN 2.194 nan 8.310 nan 0.000 0.453 519 G N 0.395 109.105 108.800 -0.150 0.000 2.905 519 G HA2 -0.133 3.827 3.960 0.000 0.000 0.199 519 G HA3 -0.133 3.827 3.960 0.000 0.000 0.199 519 G C 0.105 175.062 174.900 0.095 0.000 1.370 519 G CA -0.056 45.027 45.100 -0.028 0.000 0.966 519 G HN 0.586 nan 8.290 nan 0.000 0.522 520 F N 0.052 120.016 119.950 0.023 0.000 2.835 520 F HA 0.811 5.338 4.527 0.000 0.000 0.373 520 F C 0.202 176.037 175.800 0.057 0.000 1.209 520 F CA -0.404 57.614 58.000 0.030 0.000 1.082 520 F CB 0.597 39.609 39.000 0.019 0.000 1.472 520 F HN 0.063 nan 8.300 nan 0.000 0.519 521 T N 0.972 115.737 114.554 0.351 0.000 3.281 521 T HA 0.173 4.523 4.350 0.000 0.000 0.359 521 T C 0.059 174.910 174.700 0.252 0.000 1.459 521 T CA -0.623 61.606 62.100 0.214 0.000 1.114 521 T CB -0.841 68.134 68.868 0.178 0.000 1.162 521 T HN 0.616 nan 8.240 nan 0.000 0.665 522 N N 0.442 119.183 118.700 0.069 0.000 2.362 522 N HA 0.025 4.765 4.740 0.000 0.000 0.204 522 N C -0.432 175.090 175.510 0.020 0.000 1.166 522 N CA -0.463 52.628 53.050 0.069 0.000 0.831 522 N CB 0.182 38.563 38.487 -0.176 0.000 1.008 522 N HN 0.320 nan 8.380 nan 0.000 0.472 523 T N 0.914 115.501 114.554 0.055 0.000 2.881 523 T HA 0.316 4.666 4.350 0.000 0.000 0.291 523 T C -0.883 173.832 174.700 0.025 0.000 0.990 523 T CA -0.628 61.480 62.100 0.014 0.000 0.976 523 T CB 1.675 70.593 68.868 0.083 0.000 0.970 523 T HN 0.073 nan 8.240 nan 0.000 0.438 524 M N 3.646 123.237 119.600 -0.015 0.000 2.311 524 M HA 0.567 5.047 4.480 0.000 0.000 0.325 524 M C -1.171 175.114 176.300 -0.025 0.000 1.061 524 M CA -0.505 54.787 55.300 -0.014 0.000 0.957 524 M CB 1.473 34.060 32.600 -0.021 0.000 1.646 524 M HN 0.570 nan 8.290 nan 0.000 0.434 525 R N 2.725 123.214 120.500 -0.019 0.000 2.584 525 R HA 0.507 4.847 4.340 0.000 0.000 0.276 525 R C -1.499 174.781 176.300 -0.033 0.000 1.046 525 R CA -0.726 55.359 56.100 -0.025 0.000 0.906 525 R CB 2.582 32.873 30.300 -0.014 0.000 1.215 525 R HN 0.511 nan 8.270 nan 0.000 0.449 526 V N 4.140 124.032 119.914 -0.036 0.000 2.353 526 V HA 0.262 4.382 4.120 0.000 0.000 0.264 526 V C -0.127 175.940 176.094 -0.045 0.000 1.049 526 V CA -0.431 61.843 62.300 -0.042 0.000 0.896 526 V CB 1.142 32.942 31.823 -0.040 0.000 1.025 526 V HN 0.390 nan 8.190 nan 0.000 0.475 527 V N 7.888 127.767 119.914 -0.059 0.000 2.487 527 V HA 0.463 4.583 4.120 0.000 0.000 0.298 527 V C -2.256 173.781 176.094 -0.095 0.000 1.028 527 V CA -1.937 60.322 62.300 -0.069 0.000 0.860 527 V CB 2.289 34.069 31.823 -0.072 0.000 0.991 527 V HN 0.635 nan 8.190 nan 0.000 0.427 528 P HA 0.235 nan 4.420 nan 0.000 0.274 528 P C -0.450 176.770 177.300 -0.133 0.000 1.237 528 P CA -0.188 62.854 63.100 -0.095 0.000 0.793 528 P CB 0.819 32.480 31.700 -0.065 0.000 0.977 529 V N 3.867 123.687 119.914 -0.158 0.000 2.546 529 V HA 0.188 4.308 4.120 0.000 0.000 0.284 529 V C -1.607 174.420 176.094 -0.111 0.000 1.050 529 V CA -1.460 60.718 62.300 -0.204 0.000 0.981 529 V CB 0.406 32.063 31.823 -0.275 0.000 0.990 529 V HN 0.626 nan 8.190 nan 0.000 0.474 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.069 63.100 -0.052 0.000 0.800 530 P CB 0.000 31.674 31.700 -0.043 0.000 0.726