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_F 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 0.000 176.104 176.117 -0.022 0.000 1.063 12 I CA 0.000 61.277 61.300 -0.039 0.000 1.566 12 I CB 0.000 37.972 38.000 -0.047 0.000 1.214 13 Q N 2.702 122.489 119.800 -0.022 0.000 2.283 13 Q HA 0.089 4.429 4.340 0.000 0.000 0.301 13 Q C 0.363 176.371 176.000 0.013 0.000 1.063 13 Q CA 0.892 56.699 55.803 0.006 0.000 0.952 13 Q CB 0.749 29.507 28.738 0.034 0.000 1.166 13 Q HN 0.601 nan 8.270 nan 0.000 0.381 14 T N 0.993 115.559 114.554 0.020 0.000 2.810 14 T HA 0.036 4.386 4.350 0.000 0.000 0.277 14 T C 0.451 175.169 174.700 0.030 0.000 0.973 14 T CA -0.263 61.850 62.100 0.022 0.000 0.949 14 T CB 0.742 69.624 68.868 0.023 0.000 1.075 14 T HN 0.805 nan 8.240 nan 0.000 0.537 15 Q N 0.228 120.047 119.800 0.032 0.000 2.370 15 Q HA -0.281 4.059 4.340 0.000 0.000 0.266 15 Q C -0.012 176.021 176.000 0.055 0.000 1.094 15 Q CA 1.135 56.963 55.803 0.043 0.000 0.972 15 Q CB -1.282 27.479 28.738 0.038 0.000 1.413 15 Q HN 0.830 nan 8.270 nan 0.000 0.536 16 Q N -2.010 117.814 119.800 0.040 0.000 2.453 16 Q HA -0.236 4.104 4.340 0.000 0.000 0.294 16 Q C 0.460 176.488 176.000 0.046 0.000 1.295 16 Q CA 1.019 56.839 55.803 0.028 0.000 0.853 16 Q CB -1.103 27.635 28.738 -0.000 0.000 1.193 16 Q HN 0.671 nan 8.270 nan 0.000 0.461 17 L N -1.829 119.432 121.223 0.062 0.000 2.217 17 L HA -0.147 4.193 4.340 0.000 0.000 0.211 17 L C 2.064 178.988 176.870 0.091 0.000 1.107 17 L CA 1.384 56.268 54.840 0.073 0.000 0.783 17 L CB -0.238 41.858 42.059 0.062 0.000 0.919 17 L HN 0.470 nan 8.230 nan 0.000 0.442 18 H N 0.085 119.147 119.070 -0.013 0.000 2.389 18 H HA -0.071 4.485 4.556 0.000 0.000 0.299 18 H C 2.114 177.413 175.328 -0.048 0.000 1.081 18 H CA 1.340 57.374 56.048 -0.023 0.000 1.345 18 H CB 0.238 29.979 29.762 -0.036 0.000 1.393 18 H HN 0.257 nan 8.280 nan 0.000 0.520 19 A N 0.671 123.420 122.820 -0.118 0.000 1.929 19 A HA 0.070 4.390 4.320 0.000 0.000 0.216 19 A C 2.557 180.065 177.584 -0.127 0.000 1.176 19 A CA 1.158 53.004 52.037 -0.318 0.000 0.628 19 A CB -1.190 17.463 19.000 -0.577 0.000 0.816 19 A HN 0.562 nan 8.150 nan 0.000 0.444 20 A N -0.666 122.192 122.820 0.063 0.000 2.084 20 A HA -0.147 4.173 4.320 0.000 0.000 0.221 20 A C 1.861 179.633 177.584 0.313 0.000 1.161 20 A CA 1.812 54.025 52.037 0.294 0.000 0.653 20 A CB -0.494 18.631 19.000 0.208 0.000 0.802 20 A HN 0.457 nan 8.150 nan 0.000 0.457 21 M N -0.359 119.322 119.600 0.135 0.000 2.505 21 M HA 0.255 4.735 4.480 0.000 0.000 0.230 21 M C 0.852 177.213 176.300 0.103 0.000 1.153 21 M CA 0.048 55.409 55.300 0.102 0.000 0.997 21 M CB -1.122 31.483 32.600 0.009 0.000 1.606 21 M HN 0.383 nan 8.290 nan 0.000 0.481 22 A N 1.922 124.825 122.820 0.138 0.000 2.498 22 A HA 0.090 4.410 4.320 0.000 0.000 0.239 22 A C 0.948 178.723 177.584 0.318 0.000 1.068 22 A CA -0.067 52.015 52.037 0.076 0.000 0.766 22 A CB 0.162 19.070 19.000 -0.154 0.000 1.003 22 A HN 0.537 nan 8.150 nan 0.000 0.497 23 D N 0.893 121.403 120.400 0.182 0.000 2.348 23 D HA 0.035 4.675 4.640 0.000 0.000 0.211 23 D C 0.476 176.921 176.300 0.242 0.000 0.998 23 D CA 0.842 54.959 54.000 0.195 0.000 0.873 23 D CB 0.094 40.954 40.800 0.100 0.000 0.925 23 D HN 0.378 nan 8.370 nan 0.000 0.524 24 T N -0.998 113.706 114.554 0.252 0.000 2.864 24 T HA 0.235 4.585 4.350 0.000 0.000 0.299 24 T C -0.237 174.631 174.700 0.279 0.000 1.166 24 T CA -0.737 61.517 62.100 0.257 0.000 1.007 24 T CB 1.358 70.305 68.868 0.132 0.000 1.219 24 T HN -0.202 nan 8.240 nan 0.000 0.506 25 F N 2.241 122.276 119.950 0.141 0.000 2.046 25 F HA 0.004 4.531 4.527 0.000 0.000 0.297 25 F C 1.990 177.766 175.800 -0.041 0.000 1.123 25 F CA 1.641 59.663 58.000 0.037 0.000 1.199 25 F CB -0.796 38.246 39.000 0.070 0.000 0.972 25 F HN 0.530 nan 8.300 nan 0.000 0.474 26 L N 0.828 121.928 121.223 -0.206 0.000 2.010 26 L HA -0.267 4.073 4.340 0.000 0.000 0.219 26 L C 2.441 179.161 176.870 -0.249 0.000 1.077 26 L CA 2.217 56.881 54.840 -0.292 0.000 0.773 26 L CB -0.953 41.038 42.059 -0.115 0.000 0.892 26 L HN 0.153 nan 8.230 nan 0.000 0.436 27 E N -1.207 118.904 120.200 -0.148 0.000 2.110 27 E HA -0.284 4.066 4.350 0.000 0.000 0.193 27 E C 2.083 178.557 176.600 -0.210 0.000 0.988 27 E CA 1.416 57.731 56.400 -0.142 0.000 0.804 27 E CB -0.300 29.349 29.700 -0.084 0.000 0.745 27 E HN 0.722 nan 8.360 nan 0.000 0.458 28 H N 0.340 119.160 119.070 -0.418 0.000 2.265 28 H HA -0.073 4.483 4.556 0.000 0.000 0.295 28 H C 2.273 177.376 175.328 -0.375 0.000 1.084 28 H CA 2.335 58.063 56.048 -0.533 0.000 1.261 28 H CB -0.149 29.091 29.762 -0.869 0.000 1.360 28 H HN 0.031 nan 8.280 nan 0.000 0.487 29 M N -0.660 118.757 119.600 -0.306 0.000 2.082 29 M HA -0.256 4.224 4.480 0.000 0.000 0.258 29 M C 2.397 178.555 176.300 -0.236 0.000 1.069 29 M CA 1.755 56.872 55.300 -0.305 0.000 1.102 29 M CB -0.359 31.973 32.600 -0.448 0.000 1.336 29 M HN 0.470 nan 8.290 nan 0.000 0.404 30 C N -0.460 118.713 119.300 -0.212 0.000 2.430 30 C HA -0.086 4.374 4.460 0.000 0.000 0.288 30 C C 2.355 177.276 174.990 -0.115 0.000 1.448 30 C CA 0.729 59.662 59.018 -0.142 0.000 1.784 30 C CB -1.424 26.248 27.740 -0.113 0.000 1.776 30 C HN 0.445 nan 8.230 nan 0.000 0.547 31 R N -0.406 120.001 120.500 -0.154 0.000 2.334 31 R HA 0.247 4.587 4.340 0.000 0.000 0.212 31 R C 0.163 176.406 176.300 -0.095 0.000 0.897 31 R CA -0.193 55.855 56.100 -0.087 0.000 1.056 31 R CB 0.069 30.284 30.300 -0.142 0.000 1.046 31 R HN 0.452 nan 8.270 nan 0.000 0.513 32 L N 2.024 123.150 121.223 -0.161 0.000 2.540 32 L HA -0.026 4.314 4.340 0.000 0.000 0.276 32 L C 0.032 176.861 176.870 -0.069 0.000 1.212 32 L CA 0.664 55.425 54.840 -0.132 0.000 0.893 32 L CB 0.082 42.062 42.059 -0.131 0.000 1.138 32 L HN -0.038 nan 8.230 nan 0.000 0.491 33 D N 3.412 123.783 120.400 -0.048 0.000 2.492 33 D HA 0.223 4.863 4.640 0.000 0.000 0.248 33 D C 0.797 177.082 176.300 -0.026 0.000 1.101 33 D CA -0.539 53.442 54.000 -0.033 0.000 0.840 33 D CB 1.742 42.527 40.800 -0.026 0.000 1.209 33 D HN 0.480 nan 8.370 nan 0.000 0.524 34 I N -0.220 120.336 120.570 -0.025 0.000 3.241 34 I HA 0.015 4.185 4.170 0.000 0.000 0.280 34 I C 0.220 176.329 176.117 -0.015 0.000 1.320 34 I CA 0.706 61.994 61.300 -0.019 0.000 1.413 34 I CB 0.159 38.148 38.000 -0.019 0.000 1.060 34 I HN -0.004 nan 8.210 nan 0.000 0.500 35 D N 0.820 121.210 120.400 -0.017 0.000 2.398 35 D HA 0.067 4.707 4.640 0.000 0.000 0.210 35 D C 0.818 177.111 176.300 -0.011 0.000 1.094 35 D CA 0.332 54.323 54.000 -0.014 0.000 0.839 35 D CB 0.595 41.383 40.800 -0.020 0.000 0.963 35 D HN 0.285 nan 8.370 nan 0.000 0.506 36 S N 1.064 116.758 115.700 -0.010 0.000 2.411 36 S HA 0.481 4.951 4.470 0.000 0.000 0.304 36 S C 0.234 174.836 174.600 0.004 0.000 1.098 36 S CA -0.697 57.502 58.200 -0.002 0.000 1.068 36 S CB 0.204 63.405 63.200 0.001 0.000 1.032 36 S HN 0.152 nan 8.310 nan 0.000 0.511 37 A N 7.482 130.306 122.820 0.007 0.000 2.488 37 A HA 0.513 4.833 4.320 0.000 0.000 0.249 37 A C -1.883 175.711 177.584 0.017 0.000 1.083 37 A CA -1.036 51.008 52.037 0.011 0.000 0.768 37 A CB -0.233 18.775 19.000 0.012 0.000 1.017 37 A HN 0.717 nan 8.150 nan 0.000 0.496 38 P HA 0.377 nan 4.420 nan 0.000 0.302 38 P C 0.079 177.394 177.300 0.024 0.000 1.301 38 P CA -0.272 62.840 63.100 0.020 0.000 0.745 38 P CB 0.284 31.989 31.700 0.008 0.000 1.331 39 I N -4.516 116.066 120.570 0.021 0.000 3.205 39 I HA 0.409 4.579 4.170 0.000 0.000 0.310 39 I C 0.900 177.038 176.117 0.035 0.000 1.089 39 I CA -0.673 60.641 61.300 0.024 0.000 1.023 39 I CB 0.551 38.555 38.000 0.006 0.000 1.269 39 I HN 0.043 nan 8.210 nan 0.000 0.512 40 T N 1.150 115.741 114.554 0.062 0.000 2.942 40 T HA 0.169 4.519 4.350 0.000 0.000 0.265 40 T C 0.888 175.669 174.700 0.135 0.000 1.062 40 T CA 0.838 63.016 62.100 0.130 0.000 1.139 40 T CB -0.165 68.831 68.868 0.213 0.000 0.883 40 T HN 0.703 nan 8.240 nan 0.000 0.468 41 A N 1.929 124.713 122.820 -0.059 0.000 2.363 41 A HA 0.548 4.868 4.320 0.000 0.000 0.270 41 A C 0.312 177.875 177.584 -0.035 0.000 1.121 41 A CA -0.449 51.466 52.037 -0.202 0.000 0.800 41 A CB 0.333 18.841 19.000 -0.820 0.000 1.052 41 A HN 0.201 nan 8.150 nan 0.000 0.493 42 R N 2.104 122.663 120.500 0.099 0.000 2.338 42 R HA 0.244 4.584 4.340 0.000 0.000 0.317 42 R C -0.130 176.247 176.300 0.128 0.000 0.968 42 R CA -0.281 55.877 56.100 0.097 0.000 0.849 42 R CB 0.824 31.234 30.300 0.183 0.000 1.128 42 R HN 0.996 nan 8.270 nan 0.000 0.448 43 N N 0.267 119.024 118.700 0.095 0.000 2.368 43 N HA -0.023 4.717 4.740 0.000 0.000 0.178 43 N C -0.279 175.306 175.510 0.125 0.000 1.021 43 N CA 0.469 53.590 53.050 0.119 0.000 0.875 43 N CB 0.258 38.811 38.487 0.110 0.000 1.020 43 N HN 0.428 nan 8.380 nan 0.000 0.433 44 T N 1.218 115.830 114.554 0.097 0.000 2.793 44 T HA 0.173 4.523 4.350 0.000 0.000 0.289 44 T C 0.714 175.470 174.700 0.092 0.000 0.956 44 T CA -0.300 61.849 62.100 0.082 0.000 1.177 44 T CB 0.640 69.543 68.868 0.059 0.000 0.897 44 T HN 0.187 nan 8.240 nan 0.000 0.533 45 G N 2.924 111.779 108.800 0.092 0.000 2.544 45 G HA2 0.486 4.446 3.960 0.000 0.000 0.242 45 G HA3 0.486 4.446 3.960 0.000 0.000 0.242 45 G C -0.364 174.567 174.900 0.052 0.000 1.247 45 G CA -0.571 44.578 45.100 0.083 0.000 0.840 45 G HN 0.759 nan 8.290 nan 0.000 0.578 46 I N 1.197 121.782 120.570 0.026 0.000 2.465 46 I HA 0.329 4.499 4.170 0.000 0.000 0.291 46 I C -0.326 175.803 176.117 0.020 0.000 1.014 46 I CA -0.553 60.766 61.300 0.032 0.000 1.093 46 I CB 2.111 40.136 38.000 0.042 0.000 1.267 46 I HN 0.178 nan 8.210 nan 0.000 0.431 47 I N 5.369 125.969 120.570 0.051 0.000 2.362 47 I HA 0.345 4.516 4.170 0.000 0.000 0.289 47 I C -0.658 175.502 176.117 0.073 0.000 0.994 47 I CA -0.403 60.943 61.300 0.076 0.000 1.158 47 I CB 1.588 39.666 38.000 0.130 0.000 1.315 47 I HN 0.536 nan 8.210 nan 0.000 0.451 48 C N 3.938 123.271 119.300 0.055 0.000 2.355 48 C HA 0.395 4.855 4.460 0.000 0.000 0.332 48 C C 0.791 175.818 174.990 0.062 0.000 1.255 48 C CA -0.493 58.558 59.018 0.056 0.000 1.792 48 C CB 1.217 28.980 27.740 0.038 0.000 2.300 48 C HN 0.645 nan 8.230 nan 0.000 0.515 49 T N 4.461 119.059 114.554 0.073 0.000 2.723 49 T HA 0.236 4.586 4.350 0.000 0.000 0.297 49 T C 0.196 174.939 174.700 0.072 0.000 0.925 49 T CA -0.076 62.072 62.100 0.081 0.000 1.030 49 T CB -0.255 68.671 68.868 0.097 0.000 0.905 49 T HN 0.324 nan 8.240 nan 0.000 0.502 50 I N 4.217 124.826 120.570 0.066 0.000 2.452 50 I HA 0.433 4.603 4.170 0.000 0.000 0.287 50 I C 1.017 177.172 176.117 0.063 0.000 1.079 50 I CA 0.088 61.418 61.300 0.050 0.000 1.387 50 I CB 0.291 38.309 38.000 0.029 0.000 1.404 50 I HN 0.748 nan 8.210 nan 0.000 0.522 51 G N 7.128 115.960 108.800 0.053 0.000 3.222 51 G HA2 0.531 4.491 3.960 0.000 0.000 0.263 51 G HA3 0.531 4.491 3.960 0.000 0.000 0.263 51 G C -2.346 172.591 174.900 0.061 0.000 1.312 51 G CA -0.507 44.638 45.100 0.076 0.000 0.934 51 G HN 0.318 nan 8.290 nan 0.000 0.577 52 P HA 0.034 nan 4.420 nan 0.000 0.221 52 P C 1.719 179.037 177.300 0.030 0.000 1.150 52 P CA 1.747 64.890 63.100 0.072 0.000 0.800 52 P CB 0.155 31.893 31.700 0.064 0.000 0.787 53 A N -0.111 122.722 122.820 0.021 0.000 2.016 53 A HA -0.032 4.288 4.320 0.000 0.000 0.217 53 A C 1.856 179.442 177.584 0.004 0.000 1.162 53 A CA 1.693 53.733 52.037 0.004 0.000 0.662 53 A CB -0.822 18.179 19.000 0.003 0.000 0.812 53 A HN 0.314 nan 8.150 nan 0.000 0.450 54 S N -1.957 113.751 115.700 0.012 0.000 2.701 54 S HA 0.229 4.699 4.470 0.000 0.000 0.242 54 S C 1.211 175.810 174.600 -0.001 0.000 1.025 54 S CA 0.018 58.224 58.200 0.009 0.000 1.016 54 S CB 0.009 63.220 63.200 0.019 0.000 0.977 54 S HN 0.522 nan 8.310 nan 0.000 0.546 55 R N 2.955 123.449 120.500 -0.010 0.000 2.189 55 R HA 0.016 4.356 4.340 0.000 0.000 0.223 55 R C 0.760 177.038 176.300 -0.037 0.000 1.092 55 R CA 1.066 57.142 56.100 -0.039 0.000 0.989 55 R CB -0.161 30.106 30.300 -0.055 0.000 0.876 55 R HN 0.556 nan 8.270 nan 0.000 0.457 56 S N -0.998 114.690 115.700 -0.020 0.000 2.576 56 S HA 0.047 4.517 4.470 0.000 0.000 0.276 56 S C 1.469 176.059 174.600 -0.016 0.000 1.339 56 S CA -0.737 57.452 58.200 -0.018 0.000 1.039 56 S CB 1.814 65.007 63.200 -0.011 0.000 0.902 56 S HN -0.042 nan 8.310 nan 0.000 0.516 57 V N 2.200 122.102 119.914 -0.021 0.000 2.287 57 V HA -0.177 3.943 4.120 0.000 0.000 0.248 57 V C 2.750 178.835 176.094 -0.016 0.000 1.053 57 V CA 2.170 64.456 62.300 -0.023 0.000 1.027 57 V CB -1.045 30.758 31.823 -0.033 0.000 0.646 57 V HN 0.902 nan 8.190 nan 0.000 0.447 58 E N 0.122 120.315 120.200 -0.012 0.000 2.118 58 E HA -0.208 4.142 4.350 0.000 0.000 0.195 58 E C 2.259 178.867 176.600 0.013 0.000 0.992 58 E CA 2.009 58.407 56.400 -0.003 0.000 0.804 58 E CB -0.503 29.195 29.700 -0.002 0.000 0.741 58 E HN 0.627 nan 8.360 nan 0.000 0.458 59 T N 1.750 116.310 114.554 0.009 0.000 2.857 59 T HA -0.068 4.282 4.350 0.000 0.000 0.266 59 T C 1.863 176.578 174.700 0.025 0.000 1.048 59 T CA 0.332 62.441 62.100 0.015 0.000 1.139 59 T CB -0.055 68.818 68.868 0.007 0.000 0.874 59 T HN -0.036 nan 8.240 nan 0.000 0.455 60 L N 1.688 122.922 121.223 0.019 0.000 1.989 60 L HA -0.050 4.290 4.340 0.000 0.000 0.211 60 L C 2.337 179.244 176.870 0.061 0.000 1.071 60 L CA 1.738 56.594 54.840 0.028 0.000 0.749 60 L CB -1.032 41.035 42.059 0.013 0.000 0.890 60 L HN 0.247 nan 8.230 nan 0.000 0.431 61 K N -0.541 119.899 120.400 0.067 0.000 2.044 61 K HA -0.258 4.062 4.320 0.000 0.000 0.210 61 K C 1.949 178.652 176.600 0.171 0.000 1.049 61 K CA 1.748 58.126 56.287 0.152 0.000 0.927 61 K CB -0.214 32.334 32.500 0.080 0.000 0.713 61 K HN 0.146 nan 8.250 nan 0.000 0.443 62 E N 0.299 120.558 120.200 0.098 0.000 2.409 62 E HA -0.049 4.301 4.350 0.000 0.000 0.198 62 E C 1.667 178.295 176.600 0.048 0.000 1.024 62 E CA 0.862 57.306 56.400 0.072 0.000 0.861 62 E CB 0.128 29.859 29.700 0.050 0.000 0.788 62 E HN 0.258 nan 8.360 nan 0.000 0.521 63 M N -1.111 118.518 119.600 0.048 0.000 2.447 63 M HA 0.089 4.569 4.480 0.000 0.000 0.266 63 M C 1.775 178.079 176.300 0.006 0.000 1.120 63 M CA 0.587 55.901 55.300 0.024 0.000 1.166 63 M CB 0.133 32.746 32.600 0.023 0.000 1.349 63 M HN 0.114 nan 8.290 nan 0.000 0.463 64 I N 0.142 120.732 120.570 0.033 0.000 2.361 64 I HA -0.281 3.889 4.170 0.000 0.000 0.251 64 I C 2.263 178.342 176.117 -0.062 0.000 1.133 64 I CA 1.286 62.586 61.300 0.001 0.000 1.413 64 I CB -0.325 37.741 38.000 0.111 0.000 1.073 64 I HN 0.275 nan 8.210 nan 0.000 0.424 65 K N 0.443 120.825 120.400 -0.030 0.000 2.148 65 K HA -0.070 4.250 4.320 0.000 0.000 0.204 65 K C 2.120 178.663 176.600 -0.094 0.000 1.050 65 K CA 1.168 57.398 56.287 -0.094 0.000 0.942 65 K CB 0.104 32.591 32.500 -0.023 0.000 0.724 65 K HN 0.110 nan 8.250 nan 0.000 0.446 66 S N -1.425 114.236 115.700 -0.065 0.000 2.496 66 S HA 0.082 4.552 4.470 0.000 0.000 0.224 66 S C 1.145 175.658 174.600 -0.145 0.000 0.996 66 S CA 0.834 58.982 58.200 -0.087 0.000 0.927 66 S CB 0.833 64.012 63.200 -0.035 0.000 0.774 66 S HN 0.621 nan 8.310 nan 0.000 0.524 67 G N 0.051 108.780 108.800 -0.119 0.000 3.468 67 G HA2 -0.083 3.877 3.960 0.000 0.000 0.219 67 G HA3 -0.083 3.877 3.960 0.000 0.000 0.219 67 G C 0.157 175.005 174.900 -0.087 0.000 0.968 67 G CA -0.549 44.477 45.100 -0.123 0.000 0.851 67 G HN 0.251 nan 8.290 nan 0.000 0.524 68 M N 1.372 120.931 119.600 -0.068 0.000 2.256 68 M HA -0.009 4.471 4.480 0.000 0.000 0.392 68 M C 0.990 177.199 176.300 -0.152 0.000 1.406 68 M CA 1.220 56.478 55.300 -0.071 0.000 0.861 68 M CB 0.048 32.623 32.600 -0.041 0.000 1.977 68 M HN 0.439 nan 8.290 nan 0.000 0.492 69 N N 1.687 120.277 118.700 -0.184 0.000 2.382 69 N HA 0.194 4.934 4.740 0.000 0.000 0.200 69 N C -1.132 174.212 175.510 -0.276 0.000 1.122 69 N CA -0.210 52.599 53.050 -0.402 0.000 0.870 69 N CB 1.107 39.326 38.487 -0.447 0.000 1.176 69 N HN 0.368 nan 8.380 nan 0.000 0.474 70 V N 0.790 120.647 119.914 -0.095 0.000 2.777 70 V HA 0.637 4.757 4.120 0.000 0.000 0.306 70 V C -1.233 174.867 176.094 0.011 0.000 1.112 70 V CA -1.142 61.154 62.300 -0.007 0.000 0.917 70 V CB 1.743 33.610 31.823 0.073 0.000 1.018 70 V HN 0.051 nan 8.190 nan 0.000 0.426 71 A N 4.547 127.371 122.820 0.006 0.000 2.253 71 A HA 0.719 5.039 4.320 0.000 0.000 0.316 71 A C -0.009 177.569 177.584 -0.011 0.000 1.327 71 A CA -0.480 51.562 52.037 0.008 0.000 0.917 71 A CB 0.409 19.415 19.000 0.010 0.000 1.162 71 A HN 0.791 nan 8.150 nan 0.000 0.535 72 R N 3.347 123.849 120.500 0.003 0.000 2.265 72 R HA 0.513 4.853 4.340 0.000 0.000 0.319 72 R C -1.334 174.974 176.300 0.014 0.000 1.006 72 R CA -0.551 55.523 56.100 -0.045 0.000 0.880 72 R CB 0.665 30.958 30.300 -0.011 0.000 1.077 72 R HN 0.633 nan 8.270 nan 0.000 0.454 73 M N 4.087 123.690 119.600 0.004 0.000 2.055 73 M HA 0.190 4.670 4.480 0.000 0.000 0.347 73 M C -0.377 176.022 176.300 0.165 0.000 1.123 73 M CA -0.429 54.954 55.300 0.138 0.000 1.035 73 M CB 0.857 33.602 32.600 0.241 0.000 1.484 73 M HN 0.360 nan 8.290 nan 0.000 0.428 74 N N 2.548 121.353 118.700 0.176 0.000 2.402 74 N HA 0.082 4.822 4.740 0.000 0.000 0.252 74 N C -0.222 175.379 175.510 0.152 0.000 1.118 74 N CA 0.159 53.310 53.050 0.170 0.000 0.945 74 N CB 0.175 38.762 38.487 0.167 0.000 1.147 74 N HN 0.451 nan 8.380 nan 0.000 0.495 75 F N 1.109 120.972 119.950 -0.145 0.000 2.816 75 F HA 0.053 4.580 4.527 0.000 0.000 0.302 75 F C 1.998 177.747 175.800 -0.085 0.000 1.178 75 F CA 0.177 58.081 58.000 -0.160 0.000 1.421 75 F CB -0.203 38.678 39.000 -0.198 0.000 1.114 75 F HN 0.435 nan 8.300 nan 0.000 0.573 76 S N -1.487 114.190 115.700 -0.038 0.000 2.595 76 S HA -0.037 4.434 4.470 0.000 0.000 0.235 76 S C 0.018 174.254 174.600 -0.608 0.000 0.974 76 S CA 0.605 58.619 58.200 -0.310 0.000 0.942 76 S CB -0.588 62.323 63.200 -0.481 0.000 0.766 76 S HN 0.472 nan 8.310 nan 0.000 0.536 77 H N -1.558 117.560 119.070 0.080 0.000 3.017 77 H HA 0.575 5.131 4.556 0.000 0.000 0.346 77 H C 0.214 175.594 175.328 0.088 0.000 1.286 77 H CA -0.295 55.785 56.048 0.052 0.000 1.120 77 H CB 1.276 31.058 29.762 0.033 0.000 1.860 77 H HN 0.211 nan 8.280 nan 0.000 0.542 78 G N 0.289 109.166 108.800 0.129 0.000 2.746 78 G HA2 0.010 3.970 3.960 0.000 0.000 0.685 78 G HA3 0.010 3.970 3.960 0.000 0.000 0.685 78 G C -0.156 174.763 174.900 0.031 0.000 1.350 78 G CA -0.386 44.710 45.100 -0.007 0.000 0.837 78 G HN 0.877 nan 8.290 nan 0.000 0.564 79 T N -2.523 112.033 114.554 0.004 0.000 2.944 79 T HA 0.603 4.953 4.350 0.000 0.000 0.284 79 T C 1.397 176.183 174.700 0.143 0.000 1.010 79 T CA 0.460 62.591 62.100 0.053 0.000 1.025 79 T CB 1.341 70.215 68.868 0.010 0.000 1.079 79 T HN 0.684 nan 8.240 nan 0.000 0.516 80 H N 0.334 119.323 119.070 -0.136 0.000 2.387 80 H HA -0.086 4.470 4.556 0.000 0.000 0.299 80 H C 2.189 177.519 175.328 0.004 0.000 1.090 80 H CA 1.836 57.697 56.048 -0.311 0.000 1.332 80 H CB 0.383 29.767 29.762 -0.631 0.000 1.386 80 H HN 0.891 nan 8.280 nan 0.000 0.516 81 E N 0.536 120.840 120.200 0.174 0.000 2.150 81 E HA -0.218 4.132 4.350 0.000 0.000 0.193 81 E C 1.912 178.600 176.600 0.147 0.000 0.985 81 E CA 0.823 57.327 56.400 0.172 0.000 0.814 81 E CB -0.467 29.309 29.700 0.127 0.000 0.752 81 E HN 0.454 nan 8.360 nan 0.000 0.466 82 Y N 2.104 122.367 120.300 -0.062 0.000 2.089 82 Y HA -0.261 4.289 4.550 0.000 0.000 0.282 82 Y C 2.340 178.113 175.900 -0.212 0.000 1.139 82 Y CA 2.248 60.234 58.100 -0.189 0.000 1.123 82 Y CB -0.496 37.760 38.460 -0.339 0.000 0.980 82 Y HN 0.133 nan 8.280 nan 0.000 0.493 83 H N -0.531 118.518 119.070 -0.035 0.000 2.387 83 H HA -0.110 4.446 4.556 0.000 0.000 0.299 83 H C 2.314 177.703 175.328 0.101 0.000 1.099 83 H CA 1.271 57.285 56.048 -0.058 0.000 1.315 83 H CB -0.766 28.952 29.762 -0.073 0.000 1.380 83 H HN 0.492 nan 8.280 nan 0.000 0.513 84 A N 0.932 123.957 122.820 0.342 0.000 1.978 84 A HA -0.181 4.140 4.320 0.000 0.000 0.220 84 A C 2.334 179.981 177.584 0.105 0.000 1.170 84 A CA 1.619 53.833 52.037 0.294 0.000 0.636 84 A CB -0.258 18.974 19.000 0.386 0.000 0.810 84 A HN 0.401 nan 8.150 nan 0.000 0.448 85 E N -1.030 119.185 120.200 0.025 0.000 2.170 85 E HA -0.073 4.277 4.350 0.000 0.000 0.191 85 E C 1.762 178.306 176.600 -0.094 0.000 0.981 85 E CA 1.202 57.578 56.400 -0.040 0.000 0.830 85 E CB 0.075 29.739 29.700 -0.060 0.000 0.775 85 E HN 0.605 nan 8.360 nan 0.000 0.470 86 T N 1.272 115.729 114.554 -0.162 0.000 2.857 86 T HA -0.025 4.325 4.350 0.000 0.000 0.266 86 T C 1.970 176.645 174.700 -0.043 0.000 1.048 86 T CA 0.611 62.617 62.100 -0.157 0.000 1.139 86 T CB -0.028 68.712 68.868 -0.214 0.000 0.874 86 T HN 0.132 nan 8.240 nan 0.000 0.455 87 I N 0.824 121.402 120.570 0.013 0.000 2.252 87 I HA -0.159 4.011 4.170 0.000 0.000 0.245 87 I C 2.635 178.757 176.117 0.007 0.000 1.102 87 I CA 1.214 62.533 61.300 0.031 0.000 1.385 87 I CB -0.257 37.776 38.000 0.056 0.000 1.064 87 I HN 0.187 nan 8.210 nan 0.000 0.414 88 K N 1.414 121.816 120.400 0.002 0.000 1.991 88 K HA -0.224 4.096 4.320 0.000 0.000 0.212 88 K C 1.778 178.371 176.600 -0.012 0.000 1.049 88 K CA 2.225 58.509 56.287 -0.005 0.000 0.932 88 K CB -0.186 32.313 32.500 -0.002 0.000 0.717 88 K HN 0.387 nan 8.250 nan 0.000 0.441 89 N N -0.062 118.624 118.700 -0.024 0.000 2.094 89 N HA -0.187 4.553 4.740 0.000 0.000 0.191 89 N C 1.778 177.278 175.510 -0.017 0.000 1.023 89 N CA 1.279 54.314 53.050 -0.026 0.000 0.857 89 N CB -0.127 38.337 38.487 -0.038 0.000 1.013 89 N HN -0.035 nan 8.380 nan 0.000 0.426 90 V N 1.920 121.829 119.914 -0.009 0.000 2.252 90 V HA -0.300 3.820 4.120 0.000 0.000 0.249 90 V C 2.328 178.431 176.094 0.015 0.000 1.056 90 V CA 1.764 64.067 62.300 0.005 0.000 1.022 90 V CB -0.530 31.300 31.823 0.012 0.000 0.641 90 V HN 0.341 nan 8.190 nan 0.000 0.445 91 R N -0.295 120.215 120.500 0.017 0.000 2.080 91 R HA -0.164 4.176 4.340 0.000 0.000 0.236 91 R C 2.336 178.650 176.300 0.023 0.000 1.137 91 R CA 2.043 58.162 56.100 0.031 0.000 0.943 91 R CB -1.247 29.066 30.300 0.021 0.000 0.846 91 R HN 0.527 nan 8.270 nan 0.000 0.431 92 T N 1.345 115.897 114.554 -0.003 0.000 2.653 92 T HA -0.235 4.115 4.350 0.000 0.000 0.268 92 T C 2.004 176.669 174.700 -0.057 0.000 1.035 92 T CA 1.864 63.949 62.100 -0.026 0.000 1.154 92 T CB -0.319 68.531 68.868 -0.031 0.000 0.862 92 T HN 0.465 nan 8.240 nan 0.000 0.441 93 A N 0.936 123.726 122.820 -0.051 0.000 1.929 93 A HA -0.038 4.282 4.320 0.000 0.000 0.216 93 A C 2.574 180.108 177.584 -0.085 0.000 1.176 93 A CA 1.770 53.749 52.037 -0.095 0.000 0.628 93 A CB -1.053 17.924 19.000 -0.038 0.000 0.816 93 A HN 0.472 nan 8.150 nan 0.000 0.444 94 T N 0.411 114.984 114.554 0.031 0.000 2.708 94 T HA -0.115 4.235 4.350 0.000 0.000 0.266 94 T C 1.619 176.451 174.700 0.220 0.000 1.037 94 T CA 1.570 63.748 62.100 0.131 0.000 1.146 94 T CB -0.217 68.722 68.868 0.119 0.000 0.865 94 T HN 0.485 nan 8.240 nan 0.000 0.435 95 E N 1.521 121.816 120.200 0.157 0.000 2.427 95 E HA -0.006 4.344 4.350 0.000 0.000 0.196 95 E C 2.362 178.985 176.600 0.038 0.000 1.028 95 E CA 0.522 57.036 56.400 0.190 0.000 0.864 95 E CB -0.422 29.337 29.700 0.099 0.000 0.813 95 E HN 0.615 nan 8.360 nan 0.000 0.514 96 S N -0.092 115.504 115.700 -0.173 0.000 2.537 96 S HA -0.097 4.374 4.470 0.000 0.000 0.240 96 S C 1.106 175.449 174.600 -0.428 0.000 0.981 96 S CA 0.518 58.503 58.200 -0.358 0.000 0.948 96 S CB -0.344 62.532 63.200 -0.541 0.000 0.759 96 S HN 0.097 nan 8.310 nan 0.000 0.531 97 F N 0.379 120.429 119.950 0.166 0.000 2.682 97 F HA 0.615 5.142 4.527 0.000 0.000 0.308 97 F C 2.129 178.099 175.800 0.283 0.000 1.093 97 F CA -0.790 57.326 58.000 0.193 0.000 1.244 97 F CB -0.462 38.644 39.000 0.178 0.000 1.052 97 F HN 0.243 nan 8.300 nan 0.000 0.573 98 A N 0.418 123.455 122.820 0.362 0.000 1.940 98 A HA -0.220 4.100 4.320 0.000 0.000 0.219 98 A C 2.411 180.018 177.584 0.038 0.000 1.176 98 A CA 2.083 54.151 52.037 0.052 0.000 0.631 98 A CB -1.100 17.815 19.000 -0.141 0.000 0.814 98 A HN 0.377 nan 8.150 nan 0.000 0.446 99 S N -0.679 115.065 115.700 0.073 0.000 2.428 99 S HA -0.187 4.283 4.470 0.000 0.000 0.240 99 S C 0.580 175.217 174.600 0.063 0.000 1.036 99 S CA 1.424 59.655 58.200 0.052 0.000 1.009 99 S CB -0.369 62.863 63.200 0.053 0.000 0.803 99 S HN 0.521 nan 8.310 nan 0.000 0.486 100 D N 1.863 122.331 120.400 0.112 0.000 2.461 100 D HA 0.378 5.018 4.640 0.000 0.000 0.240 100 D C -2.130 174.247 176.300 0.129 0.000 1.094 100 D CA -2.505 51.557 54.000 0.104 0.000 0.868 100 D CB 1.859 42.726 40.800 0.112 0.000 1.062 100 D HN 0.001 nan 8.370 nan 0.000 0.530 101 P HA -0.024 nan 4.420 nan 0.000 0.226 101 P C 1.266 178.643 177.300 0.130 0.000 1.146 101 P CA 0.629 63.782 63.100 0.088 0.000 0.773 101 P CB 0.565 32.287 31.700 0.037 0.000 0.772 102 I N -2.195 118.437 120.570 0.104 0.000 3.708 102 I HA 0.029 4.199 4.170 0.000 0.000 0.302 102 I C 1.713 177.873 176.117 0.072 0.000 1.255 102 I CA 0.496 61.841 61.300 0.074 0.000 1.362 102 I CB 0.110 38.124 38.000 0.025 0.000 1.100 102 I HN -0.208 nan 8.210 nan 0.000 0.434 103 L N -0.697 120.582 121.223 0.093 0.000 2.693 103 L HA 0.128 4.468 4.340 0.000 0.000 0.235 103 L C 0.001 176.903 176.870 0.054 0.000 1.127 103 L CA -0.038 54.825 54.840 0.037 0.000 0.914 103 L CB 0.057 42.116 42.059 0.000 0.000 1.193 103 L HN 0.104 nan 8.230 nan 0.000 0.502 104 Y N 1.542 121.875 120.300 0.056 0.000 2.393 104 Y HA 0.373 4.923 4.550 0.000 0.000 0.338 104 Y C 0.161 176.108 175.900 0.080 0.000 1.029 104 Y CA -0.459 57.703 58.100 0.103 0.000 1.239 104 Y CB 0.283 38.825 38.460 0.136 0.000 1.170 104 Y HN -0.040 nan 8.280 nan 0.000 0.515 105 R N 8.200 128.373 120.500 -0.546 0.000 2.310 105 R HA 0.348 4.689 4.340 0.000 0.000 0.324 105 R C -2.618 173.332 176.300 -0.584 0.000 0.955 105 R CA -2.031 53.798 56.100 -0.451 0.000 0.830 105 R CB 1.041 31.160 30.300 -0.302 0.000 1.154 105 R HN 0.524 nan 8.270 nan 0.000 0.458 106 P HA 0.066 nan 4.420 nan 0.000 0.271 106 P C -0.602 176.708 177.300 0.017 0.000 1.216 106 P CA -0.209 62.815 63.100 -0.127 0.000 0.771 106 P CB 1.038 32.791 31.700 0.089 0.000 0.864 107 V N 2.820 122.743 119.914 0.014 0.000 2.417 107 V HA 0.557 4.677 4.120 0.000 0.000 0.291 107 V C 0.511 176.649 176.094 0.073 0.000 1.024 107 V CA -0.762 61.541 62.300 0.005 0.000 0.861 107 V CB 1.389 33.203 31.823 -0.015 0.000 0.985 107 V HN 0.722 nan 8.190 nan 0.000 0.436 108 A N 4.781 127.655 122.820 0.091 0.000 2.302 108 A HA 0.798 5.118 4.320 0.000 0.000 0.285 108 A C -0.517 177.095 177.584 0.047 0.000 1.105 108 A CA -0.424 51.675 52.037 0.104 0.000 0.816 108 A CB 1.094 20.192 19.000 0.163 0.000 1.067 108 A HN 0.672 nan 8.150 nan 0.000 0.489 109 V N 1.018 120.949 119.914 0.028 0.000 2.448 109 V HA 0.649 4.769 4.120 0.000 0.000 0.295 109 V C 0.311 176.364 176.094 -0.070 0.000 1.025 109 V CA -0.129 62.163 62.300 -0.014 0.000 0.859 109 V CB 1.174 32.991 31.823 -0.010 0.000 0.988 109 V HN 1.201 nan 8.190 nan 0.000 0.431 110 A N 5.131 127.853 122.820 -0.164 0.000 2.355 110 A HA 0.844 5.164 4.320 0.000 0.000 0.317 110 A C -0.959 176.386 177.584 -0.398 0.000 1.094 110 A CA -0.580 51.236 52.037 -0.368 0.000 0.764 110 A CB 1.347 19.858 19.000 -0.814 0.000 1.230 110 A HN 0.880 nan 8.150 nan 0.000 0.448 111 L N 1.856 122.843 121.223 -0.394 0.000 2.292 111 L HA 0.460 4.800 4.340 0.000 0.000 0.284 111 L C -0.927 175.714 176.870 -0.382 0.000 1.065 111 L CA -0.394 54.210 54.840 -0.393 0.000 0.806 111 L CB 1.018 42.816 42.059 -0.434 0.000 1.175 111 L HN 0.694 nan 8.230 nan 0.000 0.431 112 D N 3.589 123.837 120.400 -0.252 0.000 2.446 112 D HA 0.161 4.801 4.640 0.000 0.000 0.251 112 D C -0.418 175.874 176.300 -0.014 0.000 1.137 112 D CA -0.275 53.665 54.000 -0.099 0.000 0.890 112 D CB 1.159 41.941 40.800 -0.029 0.000 1.071 112 D HN 0.441 nan 8.370 nan 0.000 0.528 113 T N 2.407 116.938 114.554 -0.038 0.000 2.923 113 T HA -0.095 4.255 4.350 0.000 0.000 0.304 113 T C 1.606 176.333 174.700 0.046 0.000 1.044 113 T CA 0.482 62.577 62.100 -0.009 0.000 1.141 113 T CB 0.958 69.828 68.868 0.004 0.000 1.023 113 T HN 0.447 nan 8.240 nan 0.000 0.533 114 K N 2.826 123.262 120.400 0.059 0.000 2.057 114 K HA 0.108 4.428 4.320 0.000 0.000 0.206 114 K C 0.976 177.584 176.600 0.013 0.000 1.050 114 K CA 0.990 57.295 56.287 0.030 0.000 0.935 114 K CB -0.387 32.125 32.500 0.021 0.000 0.715 114 K HN 0.910 nan 8.250 nan 0.000 0.439 115 G N 1.071 109.889 108.800 0.030 0.000 2.712 115 G HA2 -0.140 3.820 3.960 0.000 0.000 0.686 115 G HA3 -0.140 3.820 3.960 0.000 0.000 0.686 115 G C -2.825 172.071 174.900 -0.006 0.000 1.321 115 G CA -0.494 44.624 45.100 0.031 0.000 0.813 115 G HN 0.219 nan 8.290 nan 0.000 0.599 116 P HA 0.333 nan 4.420 nan 0.000 0.271 116 P C -0.017 177.199 177.300 -0.139 0.000 1.220 116 P CA 0.436 63.521 63.100 -0.025 0.000 0.768 116 P CB 0.936 32.671 31.700 0.059 0.000 0.848 117 E N 1.853 121.983 120.200 -0.116 0.000 2.393 117 E HA 0.632 4.982 4.350 0.000 0.000 0.265 117 E C -0.525 175.981 176.600 -0.156 0.000 0.941 117 E CA -0.945 55.360 56.400 -0.158 0.000 0.801 117 E CB 1.827 31.468 29.700 -0.098 0.000 1.313 117 E HN 0.315 nan 8.360 nan 0.000 0.435 118 I N 1.730 122.210 120.570 -0.151 0.000 2.468 118 I HA 0.415 4.585 4.170 0.000 0.000 0.285 118 I C -0.573 175.518 176.117 -0.043 0.000 1.039 118 I CA -0.780 60.452 61.300 -0.113 0.000 1.074 118 I CB 1.134 39.044 38.000 -0.151 0.000 1.228 118 I HN 0.221 nan 8.210 nan 0.000 0.436 119 R N 2.547 123.049 120.500 0.003 0.000 2.912 119 R HA 0.657 4.997 4.340 0.000 0.000 0.262 119 R C -0.161 176.192 176.300 0.088 0.000 1.057 119 R CA -0.744 55.387 56.100 0.052 0.000 0.981 119 R CB 2.033 32.384 30.300 0.086 0.000 1.201 119 R HN 0.714 nan 8.270 nan 0.000 0.484 120 T N -2.270 112.362 114.554 0.130 0.000 2.936 120 T HA 0.738 5.088 4.350 0.000 0.000 0.282 120 T C 0.480 175.347 174.700 0.278 0.000 1.003 120 T CA -0.437 61.780 62.100 0.194 0.000 1.005 120 T CB 1.788 70.746 68.868 0.150 0.000 1.097 120 T HN 0.507 nan 8.240 nan 0.000 0.532 121 G N 0.366 109.380 108.800 0.357 0.000 2.642 121 G HA2 0.587 4.547 3.960 0.000 0.000 0.291 121 G HA3 0.587 4.547 3.960 0.000 0.000 0.291 121 G C -0.628 174.352 174.900 0.134 0.000 1.345 121 G CA -1.178 44.078 45.100 0.261 0.000 1.043 121 G HN 0.764 nan 8.290 nan 0.000 0.528 122 L N -0.104 121.153 121.223 0.057 0.000 2.499 122 L HA 0.121 4.461 4.340 0.000 0.000 0.281 122 L C 0.561 177.458 176.870 0.045 0.000 1.234 122 L CA 0.469 55.329 54.840 0.033 0.000 0.839 122 L CB 0.424 42.479 42.059 -0.006 0.000 1.104 122 L HN 0.191 nan 8.230 nan 0.000 0.500 123 I N 3.233 123.825 120.570 0.037 0.000 2.339 123 I HA 0.103 4.273 4.170 0.000 0.000 0.290 123 I C 0.623 176.750 176.117 0.017 0.000 0.994 123 I CA -0.564 60.759 61.300 0.039 0.000 1.191 123 I CB 0.960 38.983 38.000 0.037 0.000 1.343 123 I HN 0.615 nan 8.210 nan 0.000 0.458 124 K N 4.683 125.094 120.400 0.017 0.000 3.071 124 K HA -0.279 4.041 4.320 0.000 0.000 0.262 124 K C 1.036 177.627 176.600 -0.015 0.000 0.977 124 K CA 0.685 56.972 56.287 -0.000 0.000 0.721 124 K CB -1.080 31.419 32.500 -0.002 0.000 1.293 124 K HN 1.176 nan 8.250 nan 0.000 0.475 125 G N -1.183 107.604 108.800 -0.022 0.000 2.377 125 G HA2 -0.367 3.593 3.960 0.000 0.000 0.250 125 G HA3 -0.367 3.593 3.960 0.000 0.000 0.250 125 G C 0.060 174.946 174.900 -0.024 0.000 1.039 125 G CA 0.541 45.621 45.100 -0.032 0.000 0.625 125 G HN 0.557 nan 8.290 nan 0.000 0.526 126 S N 0.140 115.831 115.700 -0.015 0.000 2.501 126 S HA 0.601 5.071 4.470 0.000 0.000 0.301 126 S C 1.345 175.944 174.600 -0.003 0.000 1.096 126 S CA 0.728 58.921 58.200 -0.011 0.000 1.063 126 S CB 1.418 64.610 63.200 -0.013 0.000 1.042 126 S HN 1.240 nan 8.310 nan 0.000 0.494 127 G N 1.733 110.532 108.800 -0.001 0.000 2.744 127 G HA2 0.010 3.970 3.960 0.000 0.000 0.211 127 G HA3 0.010 3.970 3.960 0.000 0.000 0.211 127 G C 0.719 175.625 174.900 0.010 0.000 1.143 127 G CA 0.563 45.668 45.100 0.008 0.000 0.788 127 G HN 0.713 nan 8.290 nan 0.000 0.534 128 T N 0.101 114.657 114.554 0.003 0.000 3.054 128 T HA 0.580 4.930 4.350 0.000 0.000 0.255 128 T C 1.163 175.865 174.700 0.002 0.000 1.035 128 T CA 0.260 62.362 62.100 0.004 0.000 0.941 128 T CB 0.772 69.639 68.868 -0.001 0.000 1.026 128 T HN 0.357 nan 8.240 nan 0.000 0.533 129 A N 1.354 124.174 122.820 -0.001 0.000 2.246 129 A HA 0.742 5.062 4.320 0.000 0.000 0.291 129 A C 0.100 177.678 177.584 -0.009 0.000 1.103 129 A CA -0.507 51.523 52.037 -0.011 0.000 0.844 129 A CB 0.808 19.798 19.000 -0.017 0.000 1.136 129 A HN 0.360 nan 8.150 nan 0.000 0.500 130 E N -1.896 118.282 120.200 -0.038 0.000 2.459 130 E HA 0.690 5.040 4.350 0.000 0.000 0.275 130 E C -1.840 174.702 176.600 -0.096 0.000 0.987 130 E CA -0.694 55.676 56.400 -0.051 0.000 0.828 130 E CB 2.486 32.144 29.700 -0.071 0.000 1.428 130 E HN 0.392 nan 8.360 nan 0.000 0.457 131 V N 0.876 120.725 119.914 -0.107 0.000 3.077 131 V HA 0.167 4.287 4.120 0.000 0.000 0.299 131 V C -1.465 174.566 176.094 -0.104 0.000 1.276 131 V CA -0.686 61.550 62.300 -0.107 0.000 0.993 131 V CB 2.171 33.983 31.823 -0.019 0.000 1.076 131 V HN 0.679 nan 8.190 nan 0.000 0.434 132 E N 4.659 124.792 120.200 -0.113 0.000 2.028 132 E HA 0.432 4.782 4.350 0.000 0.000 0.266 132 E C -1.008 175.663 176.600 0.119 0.000 0.962 132 E CA -0.514 55.918 56.400 0.054 0.000 0.784 132 E CB 0.688 30.425 29.700 0.061 0.000 1.114 132 E HN 0.602 nan 8.360 nan 0.000 0.414 133 L N 4.571 125.887 121.223 0.155 0.000 2.418 133 L HA 0.243 4.583 4.340 0.000 0.000 0.274 133 L C 0.555 177.493 176.870 0.113 0.000 1.135 133 L CA 0.159 55.065 54.840 0.109 0.000 0.870 133 L CB 0.244 42.360 42.059 0.096 0.000 1.154 133 L HN 0.404 nan 8.230 nan 0.000 0.462 134 K N 4.186 124.636 120.400 0.084 0.000 2.164 134 K HA 0.223 4.543 4.320 0.000 0.000 0.258 134 K C -0.242 176.390 176.600 0.054 0.000 0.951 134 K CA -0.859 55.472 56.287 0.074 0.000 0.844 134 K CB 1.555 34.095 32.500 0.066 0.000 1.099 134 K HN 0.442 nan 8.250 nan 0.000 0.435 135 K N 1.897 122.324 120.400 0.046 0.000 2.511 135 K HA -0.089 4.231 4.320 0.000 0.000 0.280 135 K C 0.607 177.227 176.600 0.033 0.000 1.008 135 K CA 1.642 57.950 56.287 0.036 0.000 1.050 135 K CB -0.044 32.472 32.500 0.028 0.000 0.889 135 K HN 0.854 nan 8.250 nan 0.000 0.484 136 G N 2.242 111.062 108.800 0.033 0.000 2.284 136 G HA2 -0.330 3.630 3.960 0.000 0.000 0.230 136 G HA3 -0.330 3.630 3.960 0.000 0.000 0.230 136 G C 0.439 175.357 174.900 0.030 0.000 1.021 136 G CA 0.183 45.301 45.100 0.029 0.000 0.619 136 G HN 1.029 nan 8.290 nan 0.000 0.510 137 A N -0.260 122.579 122.820 0.032 0.000 2.422 137 A HA 0.462 4.782 4.320 0.000 0.000 0.278 137 A C 0.990 178.593 177.584 0.032 0.000 1.181 137 A CA 1.949 54.005 52.037 0.031 0.000 0.866 137 A CB -0.048 18.974 19.000 0.035 0.000 1.113 137 A HN 1.093 nan 8.150 nan 0.000 0.523 138 T N 0.809 115.380 114.554 0.029 0.000 3.514 138 T HA 0.355 4.705 4.350 0.000 0.000 0.259 138 T C -0.178 174.539 174.700 0.029 0.000 1.466 138 T CA -0.206 61.912 62.100 0.029 0.000 1.562 138 T CB -0.480 68.403 68.868 0.024 0.000 0.924 138 T HN 0.459 nan 8.240 nan 0.000 0.678 139 L N 3.319 124.564 121.223 0.037 0.000 2.615 139 L HA 0.171 4.511 4.340 0.000 0.000 0.271 139 L C 0.609 177.503 176.870 0.039 0.000 1.183 139 L CA 0.602 55.464 54.840 0.037 0.000 0.933 139 L CB 0.207 42.295 42.059 0.048 0.000 1.199 139 L HN 0.276 nan 8.230 nan 0.000 0.487 140 K N 7.654 128.067 120.400 0.022 0.000 2.425 140 K HA 0.391 4.711 4.320 0.000 0.000 0.259 140 K C -0.840 175.766 176.600 0.011 0.000 0.978 140 K CA -0.719 55.588 56.287 0.033 0.000 0.883 140 K CB 0.997 33.497 32.500 0.001 0.000 1.110 140 K HN 0.602 nan 8.250 nan 0.000 0.436 141 I N 1.484 122.080 120.570 0.043 0.000 2.577 141 I HA 0.540 4.710 4.170 0.000 0.000 0.305 141 I C -0.548 175.579 176.117 0.018 0.000 0.986 141 I CA -0.153 61.157 61.300 0.017 0.000 1.189 141 I CB 1.410 39.419 38.000 0.015 0.000 1.355 141 I HN 0.793 nan 8.210 nan 0.000 0.476 142 T N 2.507 117.051 114.554 -0.017 0.000 2.883 142 T HA 0.579 4.929 4.350 0.000 0.000 0.296 142 T C 0.337 174.991 174.700 -0.077 0.000 1.117 142 T CA -0.817 61.283 62.100 -0.000 0.000 1.006 142 T CB 1.721 70.583 68.868 -0.010 0.000 1.191 142 T HN 0.613 nan 8.240 nan 0.000 0.508 143 L N 0.028 121.239 121.223 -0.021 0.000 2.628 143 L HA 0.342 4.682 4.340 0.000 0.000 0.229 143 L C 0.654 177.755 176.870 0.386 0.000 1.137 143 L CA -0.187 54.638 54.840 -0.024 0.000 0.909 143 L CB 0.006 42.037 42.059 -0.046 0.000 1.137 143 L HN 0.662 nan 8.230 nan 0.000 0.470 144 D N 1.275 121.949 120.400 0.456 0.000 2.352 144 D HA 0.024 4.665 4.640 0.000 0.000 0.245 144 D C 0.585 177.244 176.300 0.597 0.000 1.224 144 D CA 0.121 54.407 54.000 0.477 0.000 0.879 144 D CB 0.545 41.591 40.800 0.411 0.000 1.057 144 D HN 0.271 nan 8.370 nan 0.000 0.491 145 N N 2.086 121.013 118.700 0.379 0.000 2.635 145 N HA -0.123 4.617 4.740 0.000 0.000 0.191 145 N C 1.328 176.724 175.510 -0.190 0.000 1.155 145 N CA -0.067 52.955 53.050 -0.046 0.000 0.927 145 N CB 0.387 38.881 38.487 0.010 0.000 0.976 145 N HN 0.334 nan 8.380 nan 0.000 0.448 146 A N 0.481 123.269 122.820 -0.054 0.000 1.930 146 A HA -0.067 4.253 4.320 0.000 0.000 0.215 146 A C 1.030 178.393 177.584 -0.368 0.000 1.176 146 A CA 0.718 52.616 52.037 -0.231 0.000 0.632 146 A CB -0.439 18.392 19.000 -0.281 0.000 0.819 146 A HN 0.309 nan 8.150 nan 0.000 0.445 147 Y N -0.523 119.703 120.300 -0.124 0.000 2.471 147 Y HA 0.199 4.749 4.550 0.000 0.000 0.321 147 Y C 1.826 177.558 175.900 -0.281 0.000 1.195 147 Y CA 0.513 58.565 58.100 -0.080 0.000 1.272 147 Y CB -0.557 37.985 38.460 0.136 0.000 1.097 147 Y HN 0.429 nan 8.280 nan 0.000 0.507 148 M N -0.328 118.930 119.600 -0.569 0.000 2.349 148 M HA -0.097 4.383 4.480 0.000 0.000 0.266 148 M C 0.970 177.071 176.300 -0.331 0.000 1.076 148 M CA 1.938 56.709 55.300 -0.882 0.000 1.126 148 M CB 0.349 32.341 32.600 -1.014 0.000 1.392 148 M HN 0.164 nan 8.290 nan 0.000 0.440 149 E N -0.911 119.155 120.200 -0.224 0.000 2.601 149 E HA 0.095 4.445 4.350 0.000 0.000 0.219 149 E C 0.164 176.725 176.600 -0.065 0.000 0.964 149 E CA -0.030 56.297 56.400 -0.121 0.000 1.050 149 E CB 0.667 30.289 29.700 -0.129 0.000 1.068 149 E HN 0.382 nan 8.360 nan 0.000 0.496 150 K N 0.402 120.774 120.400 -0.046 0.000 2.498 150 K HA 0.229 4.549 4.320 0.000 0.000 0.207 150 K C -0.457 176.209 176.600 0.111 0.000 1.033 150 K CA -0.270 56.018 56.287 0.002 0.000 1.138 150 K CB 0.384 32.836 32.500 -0.080 0.000 0.860 150 K HN 0.014 nan 8.250 nan 0.000 0.490 151 C N 3.763 123.137 119.300 0.122 0.000 2.531 151 C HA -0.030 4.430 4.460 0.000 0.000 0.401 151 C C 0.622 175.679 174.990 0.110 0.000 1.473 151 C CA -0.272 58.839 59.018 0.155 0.000 1.472 151 C CB -1.816 26.016 27.740 0.154 0.000 2.429 151 C HN 0.590 nan 8.230 nan 0.000 0.620 152 D N 1.399 121.869 120.400 0.117 0.000 2.614 152 D HA 0.236 4.876 4.640 0.000 0.000 0.264 152 D C 1.000 177.340 176.300 0.066 0.000 1.092 152 D CA -0.735 53.312 54.000 0.078 0.000 1.071 152 D CB 0.345 41.188 40.800 0.071 0.000 1.443 152 D HN 0.508 nan 8.370 nan 0.000 0.528 153 E N 0.454 120.680 120.200 0.044 0.000 2.273 153 E HA -0.278 4.072 4.350 0.000 0.000 0.198 153 E C 0.281 176.905 176.600 0.040 0.000 1.002 153 E CA 1.511 57.934 56.400 0.038 0.000 0.828 153 E CB -0.686 29.027 29.700 0.022 0.000 0.747 153 E HN 0.588 nan 8.360 nan 0.000 0.491 154 N N -0.323 118.402 118.700 0.041 0.000 2.388 154 N HA 0.198 4.938 4.740 0.000 0.000 0.176 154 N C -0.093 175.428 175.510 0.019 0.000 1.062 154 N CA 0.124 53.190 53.050 0.027 0.000 0.895 154 N CB 0.538 39.038 38.487 0.022 0.000 1.018 154 N HN 0.022 nan 8.380 nan 0.000 0.456 155 I N 0.257 120.853 120.570 0.043 0.000 2.865 155 I HA 0.399 4.569 4.170 0.000 0.000 0.302 155 I C -1.235 174.936 176.117 0.090 0.000 1.140 155 I CA -0.592 60.726 61.300 0.030 0.000 1.021 155 I CB 2.644 40.641 38.000 -0.005 0.000 1.233 155 I HN -0.102 nan 8.210 nan 0.000 0.427 156 L N 3.189 124.465 121.223 0.089 0.000 2.409 156 L HA 0.515 4.855 4.340 0.000 0.000 0.262 156 L C -1.913 175.079 176.870 0.203 0.000 0.992 156 L CA -0.632 54.295 54.840 0.145 0.000 0.817 156 L CB 2.524 44.641 42.059 0.097 0.000 1.350 156 L HN 0.731 nan 8.230 nan 0.000 0.411 157 W N 3.901 125.244 121.300 0.071 0.000 2.666 157 W HA 0.637 5.297 4.660 0.000 0.000 0.334 157 W C -1.740 174.826 176.519 0.078 0.000 1.051 157 W CA -0.509 56.886 57.345 0.082 0.000 1.224 157 W CB 1.504 31.037 29.460 0.121 0.000 1.405 157 W HN 0.116 nan 8.180 nan 0.000 0.513 158 L N 5.513 126.147 121.223 -0.982 0.000 2.385 158 L HA 0.241 4.581 4.340 0.000 0.000 0.273 158 L C 0.722 176.878 176.870 -1.191 0.000 0.990 158 L CA -0.577 53.800 54.840 -0.773 0.000 0.821 158 L CB 1.843 43.692 42.059 -0.351 0.000 1.279 158 L HN 0.637 nan 8.230 nan 0.000 0.412 159 D N 1.171 121.215 120.400 -0.594 0.000 2.349 159 D HA -0.140 4.500 4.640 0.000 0.000 0.224 159 D C 0.099 176.365 176.300 -0.056 0.000 1.029 159 D CA 0.240 54.068 54.000 -0.287 0.000 0.879 159 D CB -0.209 40.638 40.800 0.078 0.000 0.906 159 D HN 0.248 nan 8.370 nan 0.000 0.528 160 Y N 2.168 122.320 120.300 -0.247 0.000 2.676 160 Y HA 0.299 4.849 4.550 0.000 0.000 0.338 160 Y C 1.121 176.941 175.900 -0.134 0.000 1.057 160 Y CA -1.556 56.461 58.100 -0.139 0.000 1.314 160 Y CB 0.265 38.661 38.460 -0.107 0.000 1.164 160 Y HN -0.252 nan 8.280 nan 0.000 0.509 161 K N 2.210 122.543 120.400 -0.111 0.000 2.089 161 K HA -0.210 4.110 4.320 0.000 0.000 0.210 161 K C 0.725 177.102 176.600 -0.372 0.000 1.048 161 K CA 1.755 57.926 56.287 -0.193 0.000 0.926 161 K CB 0.100 32.561 32.500 -0.064 0.000 0.714 161 K HN 0.630 nan 8.250 nan 0.000 0.448 162 N N 1.091 119.393 118.700 -0.663 0.000 2.346 162 N HA 0.023 4.763 4.740 0.000 0.000 0.225 162 N C 1.159 176.186 175.510 -0.805 0.000 1.144 162 N CA 0.046 52.728 53.050 -0.612 0.000 0.837 162 N CB 0.322 38.578 38.487 -0.385 0.000 1.069 162 N HN 0.231 nan 8.380 nan 0.000 0.487 163 I N 0.672 120.708 120.570 -0.890 0.000 2.264 163 I HA -0.305 3.865 4.170 0.000 0.000 0.248 163 I C 1.902 177.879 176.117 -0.233 0.000 1.111 163 I CA 1.364 62.373 61.300 -0.485 0.000 1.382 163 I CB 0.108 37.986 38.000 -0.203 0.000 1.060 163 I HN 0.222 nan 8.210 nan 0.000 0.418 164 C N 0.253 119.416 119.300 -0.228 0.000 2.446 164 C HA -0.064 4.396 4.460 0.000 0.000 0.279 164 C C 2.613 177.516 174.990 -0.146 0.000 1.366 164 C CA 0.213 59.132 59.018 -0.166 0.000 1.763 164 C CB -1.307 26.329 27.740 -0.172 0.000 1.929 164 C HN 0.490 nan 8.230 nan 0.000 0.509 165 K N 1.257 121.555 120.400 -0.170 0.000 2.217 165 K HA 0.005 4.325 4.320 0.000 0.000 0.202 165 K C 1.832 178.381 176.600 -0.085 0.000 1.051 165 K CA 0.918 57.131 56.287 -0.124 0.000 0.952 165 K CB -0.018 32.406 32.500 -0.126 0.000 0.736 165 K HN 0.425 nan 8.250 nan 0.000 0.453 166 V N 0.776 120.642 119.914 -0.081 0.000 2.992 166 V HA 0.010 4.130 4.120 0.000 0.000 0.250 166 V C 0.675 176.764 176.094 -0.008 0.000 1.090 166 V CA 0.300 62.598 62.300 -0.004 0.000 1.101 166 V CB 0.901 32.786 31.823 0.103 0.000 0.743 166 V HN -0.053 nan 8.190 nan 0.000 0.468 167 V N 0.715 120.610 119.914 -0.032 0.000 2.837 167 V HA 0.475 4.595 4.120 0.000 0.000 0.310 167 V C -0.571 175.490 176.094 -0.055 0.000 1.059 167 V CA -0.660 61.617 62.300 -0.037 0.000 1.004 167 V CB 1.672 33.472 31.823 -0.039 0.000 1.045 167 V HN 0.307 nan 8.190 nan 0.000 0.465 168 D N -0.168 120.201 120.400 -0.052 0.000 2.614 168 D HA 0.493 5.133 4.640 0.000 0.000 0.264 168 D C -0.910 175.358 176.300 -0.052 0.000 1.092 168 D CA -0.371 53.596 54.000 -0.055 0.000 1.071 168 D CB 1.957 42.728 40.800 -0.049 0.000 1.443 168 D HN 0.293 nan 8.370 nan 0.000 0.528 169 V N 0.238 120.123 119.914 -0.049 0.000 2.470 169 V HA 0.521 4.641 4.120 0.000 0.000 0.276 169 V C 1.434 177.508 176.094 -0.032 0.000 1.040 169 V CA 0.623 62.899 62.300 -0.040 0.000 1.008 169 V CB 0.235 32.035 31.823 -0.038 0.000 0.990 169 V HN 0.955 nan 8.190 nan 0.000 0.477 170 G N 3.304 112.089 108.800 -0.026 0.000 2.278 170 G HA2 -0.217 3.743 3.960 0.000 0.000 0.210 170 G HA3 -0.217 3.743 3.960 0.000 0.000 0.210 170 G C 0.459 175.341 174.900 -0.031 0.000 1.000 170 G CA 0.065 45.151 45.100 -0.023 0.000 0.635 170 G HN 0.727 nan 8.290 nan 0.000 0.495 171 S N 0.851 116.527 115.700 -0.040 0.000 2.573 171 S HA 0.482 4.952 4.470 0.000 0.000 0.277 171 S C 0.506 175.073 174.600 -0.054 0.000 1.346 171 S CA 0.307 58.474 58.200 -0.056 0.000 1.034 171 S CB 1.191 64.356 63.200 -0.058 0.000 0.879 171 S HN 0.486 nan 8.310 nan 0.000 0.528 172 K N 0.818 121.163 120.400 -0.091 0.000 2.095 172 K HA 0.645 4.965 4.320 0.000 0.000 0.252 172 K C -1.330 175.188 176.600 -0.137 0.000 0.977 172 K CA -0.543 55.684 56.287 -0.099 0.000 0.900 172 K CB 1.263 33.681 32.500 -0.138 0.000 1.060 172 K HN 0.291 nan 8.250 nan 0.000 0.449 173 V N 3.526 123.407 119.914 -0.055 0.000 2.524 173 V HA 0.263 4.383 4.120 0.000 0.000 0.297 173 V C -1.401 174.802 176.094 0.181 0.000 1.035 173 V CA -0.901 61.398 62.300 -0.002 0.000 0.867 173 V CB 0.883 32.728 31.823 0.036 0.000 1.004 173 V HN 0.590 nan 8.190 nan 0.000 0.426 174 Y N 3.627 123.944 120.300 0.027 0.000 2.334 174 Y HA 0.728 5.278 4.550 0.000 0.000 0.328 174 Y C 0.191 176.104 175.900 0.021 0.000 1.130 174 Y CA -1.365 56.750 58.100 0.025 0.000 1.163 174 Y CB 1.999 40.474 38.460 0.025 0.000 1.207 174 Y HN 0.345 nan 8.280 nan 0.000 0.471 175 V N 2.383 122.410 119.914 0.189 0.000 2.638 175 V HA 0.305 4.426 4.120 0.000 0.000 0.306 175 V C -0.823 175.306 176.094 0.058 0.000 1.052 175 V CA -1.356 61.008 62.300 0.106 0.000 0.885 175 V CB 1.703 33.582 31.823 0.092 0.000 0.999 175 V HN 0.775 nan 8.190 nan 0.000 0.424 176 D N 3.866 124.297 120.400 0.052 0.000 4.044 176 D HA -0.146 4.495 4.640 0.000 0.000 0.242 176 D C 0.317 176.620 176.300 0.006 0.000 1.076 176 D CA 0.850 54.869 54.000 0.032 0.000 1.171 176 D CB -0.519 40.301 40.800 0.034 0.000 0.866 176 D HN 0.915 nan 8.370 nan 0.000 0.413 177 D N 1.609 122.017 120.400 0.013 0.000 2.764 177 D HA -0.165 4.475 4.640 0.000 0.000 0.225 177 D C 1.423 177.690 176.300 -0.056 0.000 1.190 177 D CA 2.254 56.253 54.000 -0.002 0.000 0.612 177 D CB -1.346 39.457 40.800 0.005 0.000 1.024 177 D HN 1.063 nan 8.370 nan 0.000 0.411 178 G N -1.626 107.108 108.800 -0.111 0.000 2.176 178 G HA2 -0.384 3.576 3.960 0.000 0.000 0.253 178 G HA3 -0.384 3.576 3.960 0.000 0.000 0.253 178 G C 1.042 175.748 174.900 -0.323 0.000 0.979 178 G CA 0.296 45.168 45.100 -0.379 0.000 0.641 178 G HN 0.367 nan 8.290 nan 0.000 0.530 179 L N 0.102 121.235 121.223 -0.150 0.000 1.971 179 L HA 0.142 4.482 4.340 0.000 0.000 0.215 179 L C 1.743 178.559 176.870 -0.090 0.000 1.072 179 L CA 1.708 56.487 54.840 -0.101 0.000 0.758 179 L CB -0.881 41.150 42.059 -0.047 0.000 0.889 179 L HN 0.467 nan 8.230 nan 0.000 0.433 180 I N -1.192 119.349 120.570 -0.048 0.000 2.354 180 I HA 0.104 4.274 4.170 0.000 0.000 0.292 180 I C 0.491 176.629 176.117 0.035 0.000 0.989 180 I CA 0.075 61.376 61.300 0.001 0.000 1.188 180 I CB 1.558 39.586 38.000 0.047 0.000 1.342 180 I HN -0.086 nan 8.210 nan 0.000 0.457 181 S N 7.916 123.649 115.700 0.055 0.000 2.497 181 S HA 0.507 4.977 4.470 0.000 0.000 0.176 181 S C -0.329 174.364 174.600 0.155 0.000 1.445 181 S CA -0.783 57.521 58.200 0.173 0.000 1.092 181 S CB -0.588 62.689 63.200 0.129 0.000 1.216 181 S HN 0.445 nan 8.310 nan 0.000 0.486 182 L N 2.706 124.015 121.223 0.143 0.000 2.397 182 L HA 0.527 4.867 4.340 0.000 0.000 0.271 182 L C 0.348 177.267 176.870 0.081 0.000 1.148 182 L CA -0.545 54.352 54.840 0.095 0.000 0.825 182 L CB 0.318 42.422 42.059 0.076 0.000 1.117 182 L HN 0.504 nan 8.230 nan 0.000 0.456 183 Q N 2.069 121.904 119.800 0.059 0.000 2.282 183 Q HA 0.484 4.824 4.340 0.000 0.000 0.260 183 Q C -1.240 174.776 176.000 0.027 0.000 0.964 183 Q CA -0.904 54.923 55.803 0.039 0.000 0.880 183 Q CB 2.078 30.837 28.738 0.035 0.000 1.286 183 Q HN 0.558 nan 8.270 nan 0.000 0.445 184 V N 5.125 125.045 119.914 0.011 0.000 2.370 184 V HA 0.058 4.178 4.120 0.000 0.000 0.257 184 V C 0.758 176.853 176.094 0.002 0.000 1.064 184 V CA 0.056 62.358 62.300 0.004 0.000 0.975 184 V CB -0.154 31.660 31.823 -0.016 0.000 1.067 184 V HN 0.943 nan 8.190 nan 0.000 0.485 185 K N 3.280 123.688 120.400 0.014 0.000 2.242 185 K HA 0.133 4.453 4.320 0.000 0.000 0.200 185 K C 0.849 177.454 176.600 0.008 0.000 1.050 185 K CA 0.203 56.498 56.287 0.013 0.000 0.981 185 K CB 0.630 33.142 32.500 0.021 0.000 0.795 185 K HN 0.574 nan 8.250 nan 0.000 0.477 186 Q N 1.474 121.285 119.800 0.018 0.000 2.330 186 Q HA 0.230 4.570 4.340 0.000 0.000 0.269 186 Q C -1.731 174.234 176.000 -0.059 0.000 1.022 186 Q CA -0.804 55.005 55.803 0.010 0.000 0.796 186 Q CB 1.872 30.663 28.738 0.089 0.000 1.271 186 Q HN 0.058 nan 8.270 nan 0.000 0.450 187 K N 2.580 122.901 120.400 -0.131 0.000 2.339 187 K HA 0.573 4.893 4.320 0.000 0.000 0.264 187 K C -0.433 175.922 176.600 -0.407 0.000 0.986 187 K CA -0.314 55.837 56.287 -0.226 0.000 0.866 187 K CB 1.142 33.550 32.500 -0.153 0.000 1.103 187 K HN 0.666 nan 8.250 nan 0.000 0.441 188 G N 2.813 111.183 108.800 -0.717 0.000 2.782 188 G HA2 0.340 4.300 3.960 0.000 0.000 0.201 188 G HA3 0.340 4.300 3.960 0.000 0.000 0.201 188 G C -1.850 172.750 174.900 -0.501 0.000 1.374 188 G CA -0.868 43.632 45.100 -0.999 0.000 1.039 188 G HN 0.588 nan 8.290 nan 0.000 0.576 189 P HA 0.187 nan 4.420 nan 0.000 0.251 189 P C -0.083 177.146 177.300 -0.118 0.000 1.198 189 P CA 0.918 63.913 63.100 -0.174 0.000 0.847 189 P CB 0.766 32.419 31.700 -0.078 0.000 1.082 190 D N -1.361 118.985 120.400 -0.090 0.000 2.583 190 D HA 0.057 4.697 4.640 0.000 0.000 0.282 190 D C -0.134 176.210 176.300 0.075 0.000 1.485 190 D CA -0.522 53.476 54.000 -0.003 0.000 0.834 190 D CB -0.668 40.168 40.800 0.061 0.000 1.258 190 D HN 0.161 nan 8.370 nan 0.000 0.470 191 F N -0.467 119.446 119.950 -0.062 0.000 2.650 191 F HA 0.825 5.352 4.527 0.000 0.000 0.320 191 F C -1.984 173.778 175.800 -0.063 0.000 1.091 191 F CA -1.481 56.477 58.000 -0.069 0.000 0.962 191 F CB 1.436 40.395 39.000 -0.068 0.000 1.363 191 F HN -0.206 nan 8.300 nan 0.000 0.482 192 L N 2.772 124.101 121.223 0.176 0.000 2.541 192 L HA 0.422 4.762 4.340 0.000 0.000 0.266 192 L C -1.119 175.851 176.870 0.167 0.000 0.966 192 L CA -0.723 54.152 54.840 0.059 0.000 0.871 192 L CB 1.749 43.800 42.059 -0.012 0.000 1.232 192 L HN 0.665 nan 8.230 nan 0.000 0.408 193 V N 3.115 123.143 119.914 0.189 0.000 2.372 193 V HA 0.471 4.591 4.120 0.000 0.000 0.261 193 V C 0.549 176.691 176.094 0.080 0.000 1.055 193 V CA -0.303 62.095 62.300 0.164 0.000 0.930 193 V CB 1.128 33.081 31.823 0.217 0.000 1.031 193 V HN 0.857 nan 8.190 nan 0.000 0.479 194 T N 1.460 116.052 114.554 0.065 0.000 2.807 194 T HA 0.586 4.936 4.350 0.000 0.000 0.279 194 T C -0.474 174.254 174.700 0.046 0.000 0.993 194 T CA -0.774 61.355 62.100 0.048 0.000 0.970 194 T CB 1.803 70.699 68.868 0.047 0.000 0.950 194 T HN 0.755 nan 8.240 nan 0.000 0.441 195 E N 2.851 123.076 120.200 0.042 0.000 2.227 195 E HA 0.404 4.754 4.350 0.000 0.000 0.282 195 E C -0.809 175.817 176.600 0.044 0.000 1.015 195 E CA -0.943 55.481 56.400 0.040 0.000 0.823 195 E CB 1.123 30.843 29.700 0.034 0.000 1.081 195 E HN 0.503 nan 8.360 nan 0.000 0.396 196 V N 4.926 124.867 119.914 0.044 0.000 2.421 196 V HA 0.014 4.134 4.120 0.000 0.000 0.271 196 V C 0.287 176.407 176.094 0.044 0.000 1.031 196 V CA 0.417 62.747 62.300 0.049 0.000 1.032 196 V CB 0.449 32.303 31.823 0.051 0.000 1.009 196 V HN 0.732 nan 8.190 nan 0.000 0.477 197 E N 5.132 125.362 120.200 0.050 0.000 2.133 197 E HA 0.283 4.633 4.350 0.000 0.000 0.274 197 E C -0.092 176.533 176.600 0.041 0.000 0.930 197 E CA -0.690 55.737 56.400 0.046 0.000 0.770 197 E CB 0.489 30.223 29.700 0.057 0.000 1.104 197 E HN 0.755 nan 8.360 nan 0.000 0.403 198 N N 2.319 121.035 118.700 0.026 0.000 2.527 198 N HA -0.190 4.550 4.740 0.000 0.000 0.293 198 N C -0.661 174.854 175.510 0.009 0.000 1.283 198 N CA 1.054 54.109 53.050 0.010 0.000 0.702 198 N CB -0.121 38.364 38.487 -0.005 0.000 0.937 198 N HN 0.611 nan 8.380 nan 0.000 0.536 199 G N 0.102 108.912 108.800 0.016 0.000 2.521 199 G HA2 0.854 4.814 3.960 0.000 0.000 0.323 199 G HA3 0.854 4.814 3.960 0.000 0.000 0.323 199 G C 0.478 175.384 174.900 0.011 0.000 1.211 199 G CA 0.028 45.146 45.100 0.031 0.000 0.979 199 G HN 0.673 nan 8.290 nan 0.000 0.490 200 G N -1.513 107.315 108.800 0.047 0.000 2.635 200 G HA2 0.427 4.387 3.960 0.000 0.000 0.194 200 G HA3 0.427 4.387 3.960 0.000 0.000 0.194 200 G C -1.664 173.396 174.900 0.267 0.000 1.198 200 G CA -0.623 44.472 45.100 -0.008 0.000 0.972 200 G HN 0.361 nan 8.290 nan 0.000 0.520 201 F N 1.857 121.813 119.950 0.010 0.000 2.334 201 F HA 0.549 5.076 4.527 0.000 0.000 0.367 201 F C 0.668 176.480 175.800 0.019 0.000 1.115 201 F CA -1.446 56.562 58.000 0.014 0.000 1.116 201 F CB 0.979 39.986 39.000 0.012 0.000 1.230 201 F HN 0.191 nan 8.300 nan 0.000 0.484 202 L N 2.698 124.050 121.223 0.215 0.000 2.461 202 L HA 0.566 4.906 4.340 0.000 0.000 0.272 202 L C 0.583 177.517 176.870 0.107 0.000 1.197 202 L CA 0.193 55.111 54.840 0.131 0.000 0.836 202 L CB 0.758 42.878 42.059 0.101 0.000 1.105 202 L HN 0.743 nan 8.230 nan 0.000 0.477 203 G N 1.926 110.781 108.800 0.092 0.000 2.818 203 G HA2 0.392 4.352 3.960 0.000 0.000 0.286 203 G HA3 0.392 4.352 3.960 0.000 0.000 0.286 203 G C -1.223 173.719 174.900 0.069 0.000 1.364 203 G CA -0.450 44.695 45.100 0.074 0.000 0.938 203 G HN 0.570 nan 8.290 nan 0.000 0.490 204 S N -1.015 114.721 115.700 0.059 0.000 2.608 204 S HA 0.250 4.720 4.470 0.000 0.000 0.261 204 S C 0.735 175.378 174.600 0.072 0.000 1.314 204 S CA -0.145 58.093 58.200 0.064 0.000 0.992 204 S CB 0.461 63.690 63.200 0.047 0.000 0.935 204 S HN 0.564 nan 8.310 nan 0.000 0.564 205 K N 0.722 121.174 120.400 0.086 0.000 3.585 205 K HA -0.189 4.131 4.320 0.000 0.000 0.272 205 K C -0.435 176.213 176.600 0.079 0.000 0.828 205 K CA 0.769 57.112 56.287 0.093 0.000 0.631 205 K CB -0.663 31.884 32.500 0.078 0.000 1.636 205 K HN 0.223 nan 8.250 nan 0.000 0.448 206 K N -0.257 120.191 120.400 0.080 0.000 2.098 206 K HA 0.405 4.725 4.320 0.000 0.000 0.244 206 K C 0.796 177.429 176.600 0.055 0.000 1.014 206 K CA -0.173 56.153 56.287 0.065 0.000 0.917 206 K CB 0.983 33.522 32.500 0.065 0.000 1.072 206 K HN 0.278 nan 8.250 nan 0.000 0.477 207 G N -0.036 108.787 108.800 0.038 0.000 2.367 207 G HA2 0.489 4.449 3.960 0.000 0.000 0.314 207 G HA3 0.489 4.449 3.960 0.000 0.000 0.314 207 G C -0.553 174.358 174.900 0.019 0.000 1.130 207 G CA -0.528 44.580 45.100 0.014 0.000 0.864 207 G HN 0.206 nan 8.290 nan 0.000 0.486 208 V N 1.353 121.265 119.914 -0.003 0.000 2.834 208 V HA 0.542 4.662 4.120 0.000 0.000 0.313 208 V C -0.551 175.536 176.094 -0.011 0.000 1.060 208 V CA -1.095 61.214 62.300 0.015 0.000 0.989 208 V CB 1.866 33.696 31.823 0.012 0.000 1.041 208 V HN 0.830 nan 8.190 nan 0.000 0.459 209 N N 2.350 121.077 118.700 0.044 0.000 2.519 209 N HA 0.538 5.278 4.740 0.000 0.000 0.291 209 N C -1.676 173.821 175.510 -0.022 0.000 1.107 209 N CA -0.551 52.523 53.050 0.039 0.000 0.904 209 N CB 1.573 40.145 38.487 0.141 0.000 1.500 209 N HN 0.341 nan 8.380 nan 0.000 0.510 210 L N 2.530 123.732 121.223 -0.035 0.000 2.360 210 L HA 0.495 4.835 4.340 0.000 0.000 0.265 210 L C -2.181 174.632 176.870 -0.094 0.000 1.066 210 L CA -2.255 52.539 54.840 -0.076 0.000 0.929 210 L CB -0.307 41.756 42.059 0.007 0.000 1.306 210 L HN 0.403 nan 8.230 nan 0.000 0.434 211 P HA 0.102 nan 4.420 nan 0.000 0.267 211 P C 1.149 178.358 177.300 -0.151 0.000 1.201 211 P CA 0.678 63.684 63.100 -0.157 0.000 0.775 211 P CB 0.719 32.222 31.700 -0.327 0.000 0.854 212 G N 0.609 109.285 108.800 -0.207 0.000 2.366 212 G HA2 -0.312 3.648 3.960 0.000 0.000 0.263 212 G HA3 -0.312 3.648 3.960 0.000 0.000 0.263 212 G C 0.562 175.371 174.900 -0.152 0.000 0.986 212 G CA 0.584 45.470 45.100 -0.357 0.000 0.632 212 G HN 0.918 nan 8.290 nan 0.000 0.555 213 A N 0.022 122.796 122.820 -0.076 0.000 2.351 213 A HA 0.773 5.093 4.320 0.000 0.000 0.257 213 A C 0.798 178.382 177.584 0.001 0.000 1.087 213 A CA 0.871 52.892 52.037 -0.027 0.000 0.798 213 A CB 0.782 19.785 19.000 0.005 0.000 1.033 213 A HN 1.938 nan 8.150 nan 0.000 0.488 214 A N 2.130 124.953 122.820 0.006 0.000 2.910 214 A HA 0.505 4.826 4.320 0.000 0.000 0.316 214 A C 0.073 177.679 177.584 0.037 0.000 1.493 214 A CA -0.446 51.592 52.037 0.002 0.000 1.150 214 A CB -0.835 18.161 19.000 -0.007 0.000 1.159 214 A HN 0.969 nan 8.150 nan 0.000 0.526 215 V N 2.766 122.706 119.914 0.043 0.000 2.539 215 V HA -0.116 4.004 4.120 0.000 0.000 0.300 215 V C 1.622 177.763 176.094 0.078 0.000 1.019 215 V CA 0.924 63.276 62.300 0.087 0.000 1.160 215 V CB 0.157 32.053 31.823 0.121 0.000 0.901 215 V HN 0.971 nan 8.190 nan 0.000 0.481 216 D N 4.080 124.578 120.400 0.162 0.000 2.183 216 D HA -0.076 4.564 4.640 0.000 0.000 0.203 216 D C 0.875 177.255 176.300 0.134 0.000 0.969 216 D CA 0.189 54.279 54.000 0.149 0.000 0.842 216 D CB 0.295 41.224 40.800 0.214 0.000 0.957 216 D HN 0.525 nan 8.370 nan 0.000 0.484 217 L N 1.867 123.174 121.223 0.141 0.000 2.558 217 L HA -0.030 4.310 4.340 0.000 0.000 0.301 217 L C -1.805 175.115 176.870 0.083 0.000 1.267 217 L CA -0.794 54.106 54.840 0.100 0.000 0.854 217 L CB -0.610 41.461 42.059 0.021 0.000 1.103 217 L HN 0.057 nan 8.230 nan 0.000 0.522 218 P HA -0.004 nan 4.420 nan 0.000 0.267 218 P C 0.134 177.473 177.300 0.065 0.000 1.200 218 P CA -0.062 63.077 63.100 0.064 0.000 0.772 218 P CB 0.773 32.510 31.700 0.061 0.000 0.855 219 A N 2.730 125.579 122.820 0.049 0.000 1.978 219 A HA -0.054 4.266 4.320 0.000 0.000 0.220 219 A C 0.977 178.597 177.584 0.060 0.000 1.170 219 A CA 1.587 53.651 52.037 0.044 0.000 0.636 219 A CB -0.457 18.559 19.000 0.027 0.000 0.810 219 A HN 0.465 nan 8.150 nan 0.000 0.448 220 V N 0.003 119.951 119.914 0.056 0.000 2.709 220 V HA 0.537 4.657 4.120 0.000 0.000 0.308 220 V C 0.146 176.273 176.094 0.054 0.000 1.062 220 V CA -0.175 62.157 62.300 0.055 0.000 0.901 220 V CB 2.064 33.914 31.823 0.044 0.000 1.003 220 V HN 0.619 nan 8.190 nan 0.000 0.425 221 S N 3.496 119.228 115.700 0.053 0.000 2.669 221 S HA 0.368 4.838 4.470 0.000 0.000 0.270 221 S C 0.929 175.559 174.600 0.051 0.000 1.225 221 S CA 0.267 58.497 58.200 0.050 0.000 0.991 221 S CB 1.296 64.522 63.200 0.043 0.000 0.987 221 S HN 0.841 nan 8.310 nan 0.000 0.552 222 E N 0.600 120.830 120.200 0.050 0.000 2.070 222 E HA -0.203 4.147 4.350 0.000 0.000 0.197 222 E C 1.985 178.619 176.600 0.057 0.000 1.004 222 E CA 1.348 57.778 56.400 0.050 0.000 0.805 222 E CB -0.134 29.593 29.700 0.046 0.000 0.744 222 E HN 0.702 nan 8.360 nan 0.000 0.451 223 K N 0.612 121.048 120.400 0.060 0.000 2.009 223 K HA -0.217 4.103 4.320 0.000 0.000 0.210 223 K C 1.677 178.337 176.600 0.099 0.000 1.049 223 K CA 1.972 58.307 56.287 0.080 0.000 0.929 223 K CB -0.104 32.445 32.500 0.081 0.000 0.714 223 K HN 0.014 nan 8.250 nan 0.000 0.440 224 D N 0.838 121.283 120.400 0.075 0.000 2.170 224 D HA -0.221 4.419 4.640 0.000 0.000 0.193 224 D C 1.826 178.156 176.300 0.050 0.000 1.004 224 D CA 1.253 55.285 54.000 0.054 0.000 0.860 224 D CB -0.236 40.590 40.800 0.043 0.000 0.931 224 D HN 0.223 nan 8.370 nan 0.000 0.448 225 I N 0.856 121.463 120.570 0.061 0.000 2.058 225 I HA -0.343 3.827 4.170 0.000 0.000 0.235 225 I C 2.550 178.722 176.117 0.091 0.000 1.053 225 I CA 1.568 62.906 61.300 0.063 0.000 1.313 225 I CB -0.339 37.697 38.000 0.059 0.000 1.039 225 I HN 0.080 nan 8.210 nan 0.000 0.396 226 Q N 0.069 119.941 119.800 0.120 0.000 2.152 226 Q HA -0.259 4.081 4.340 0.000 0.000 0.206 226 Q C 1.631 177.797 176.000 0.277 0.000 0.985 226 Q CA 1.797 57.716 55.803 0.192 0.000 0.863 226 Q CB -0.628 28.212 28.738 0.170 0.000 0.904 226 Q HN 0.515 nan 8.270 nan 0.000 0.422 227 D N 1.495 122.019 120.400 0.207 0.000 2.095 227 D HA -0.146 4.494 4.640 0.000 0.000 0.192 227 D C 2.099 178.395 176.300 -0.006 0.000 0.990 227 D CA 1.158 55.196 54.000 0.064 0.000 0.836 227 D CB -0.529 40.254 40.800 -0.029 0.000 0.979 227 D HN 0.173 nan 8.370 nan 0.000 0.447 228 L N 0.581 121.785 121.223 -0.033 0.000 1.997 228 L HA -0.258 4.082 4.340 0.000 0.000 0.216 228 L C 2.421 179.296 176.870 0.009 0.000 1.074 228 L CA 1.592 56.405 54.840 -0.044 0.000 0.763 228 L CB -0.510 41.537 42.059 -0.020 0.000 0.890 228 L HN 0.042 nan 8.230 nan 0.000 0.434 229 K N -0.771 119.669 120.400 0.067 0.000 2.113 229 K HA -0.243 4.077 4.320 0.000 0.000 0.208 229 K C 2.060 178.735 176.600 0.126 0.000 1.047 229 K CA 1.868 58.208 56.287 0.089 0.000 0.928 229 K CB -0.365 32.206 32.500 0.120 0.000 0.716 229 K HN 0.161 nan 8.250 nan 0.000 0.446 230 F N 1.221 121.164 119.950 -0.010 0.000 2.163 230 F HA -0.032 4.495 4.527 0.000 0.000 0.297 230 F C 2.152 177.896 175.800 -0.093 0.000 1.094 230 F CA 1.559 59.543 58.000 -0.027 0.000 1.290 230 F CB -0.716 38.218 39.000 -0.110 0.000 1.017 230 F HN -0.003 nan 8.300 nan 0.000 0.483 231 G N 0.150 108.931 108.800 -0.032 0.000 2.507 231 G HA2 -0.253 3.707 3.960 0.000 0.000 0.221 231 G HA3 -0.253 3.707 3.960 0.000 0.000 0.221 231 G C 1.631 176.422 174.900 -0.182 0.000 1.119 231 G CA 1.426 46.413 45.100 -0.188 0.000 0.751 231 G HN 0.377 nan 8.290 nan 0.000 0.574 232 V N 0.093 119.936 119.914 -0.119 0.000 2.488 232 V HA -0.061 4.059 4.120 0.000 0.000 0.246 232 V C 2.521 178.543 176.094 -0.121 0.000 1.046 232 V CA 1.734 63.979 62.300 -0.091 0.000 1.053 232 V CB -0.319 31.479 31.823 -0.042 0.000 0.679 232 V HN 0.420 nan 8.190 nan 0.000 0.458 233 E N -0.011 120.092 120.200 -0.161 0.000 2.085 233 E HA -0.223 4.127 4.350 0.000 0.000 0.194 233 E C 2.096 178.547 176.600 -0.249 0.000 0.994 233 E CA 1.071 57.361 56.400 -0.184 0.000 0.801 233 E CB -0.062 29.519 29.700 -0.199 0.000 0.743 233 E HN 0.523 nan 8.360 nan 0.000 0.453 234 Q N 0.500 120.070 119.800 -0.383 0.000 2.482 234 Q HA -0.058 4.282 4.340 0.000 0.000 0.209 234 Q C -0.383 175.510 176.000 -0.178 0.000 0.961 234 Q CA 0.402 56.002 55.803 -0.339 0.000 0.945 234 Q CB -0.004 28.429 28.738 -0.509 0.000 1.012 234 Q HN 0.256 nan 8.270 nan 0.000 0.515 235 D N 0.129 120.447 120.400 -0.137 0.000 2.737 235 D HA -0.155 4.485 4.640 0.000 0.000 0.238 235 D C -0.252 176.011 176.300 -0.062 0.000 1.157 235 D CA 0.424 54.377 54.000 -0.078 0.000 0.694 235 D CB -0.715 40.053 40.800 -0.053 0.000 1.021 235 D HN 0.160 nan 8.370 nan 0.000 0.420 236 V N -1.566 118.300 119.914 -0.080 0.000 3.003 236 V HA 0.357 4.477 4.120 0.000 0.000 0.305 236 V C 1.181 177.260 176.094 -0.026 0.000 1.078 236 V CA 0.224 62.483 62.300 -0.068 0.000 1.083 236 V CB 1.605 33.361 31.823 -0.113 0.000 1.039 236 V HN 0.110 nan 8.190 nan 0.000 0.481 237 D N 2.197 122.594 120.400 -0.006 0.000 2.327 237 D HA 0.261 4.901 4.640 0.000 0.000 0.205 237 D C 0.553 176.885 176.300 0.053 0.000 0.989 237 D CA 1.216 55.239 54.000 0.038 0.000 0.873 237 D CB 0.238 41.080 40.800 0.070 0.000 0.955 237 D HN 0.819 nan 8.370 nan 0.000 0.515 238 M N -2.019 117.597 119.600 0.027 0.000 2.853 238 M HA 0.420 4.900 4.480 0.000 0.000 0.273 238 M C -2.194 174.114 176.300 0.014 0.000 1.128 238 M CA -0.927 54.416 55.300 0.072 0.000 0.814 238 M CB 1.952 34.663 32.600 0.184 0.000 1.667 238 M HN -0.379 nan 8.290 nan 0.000 0.519 239 V N 2.305 122.273 119.914 0.091 0.000 2.604 239 V HA 0.644 4.764 4.120 0.000 0.000 0.305 239 V C -1.345 174.953 176.094 0.340 0.000 1.043 239 V CA -0.420 61.914 62.300 0.057 0.000 0.888 239 V CB 2.174 34.002 31.823 0.008 0.000 0.995 239 V HN 0.680 nan 8.190 nan 0.000 0.429 240 F N 3.288 123.222 119.950 -0.027 0.000 2.361 240 F HA 0.679 5.206 4.527 0.000 0.000 0.364 240 F C 0.624 176.419 175.800 -0.009 0.000 1.120 240 F CA -1.664 56.330 58.000 -0.011 0.000 1.102 240 F CB 1.133 40.135 39.000 0.003 0.000 1.183 240 F HN 0.511 nan 8.300 nan 0.000 0.476 241 A N 2.905 125.830 122.820 0.175 0.000 2.276 241 A HA 0.584 4.904 4.320 0.000 0.000 0.300 241 A C 0.132 177.781 177.584 0.108 0.000 1.235 241 A CA -0.454 51.646 52.037 0.104 0.000 0.867 241 A CB 0.086 19.121 19.000 0.059 0.000 1.137 241 A HN 0.631 nan 8.150 nan 0.000 0.527 242 S N 1.638 117.409 115.700 0.118 0.000 2.545 242 S HA 0.472 4.942 4.470 0.000 0.000 0.275 242 S C -0.121 174.607 174.600 0.215 0.000 1.299 242 S CA -0.148 58.139 58.200 0.145 0.000 1.048 242 S CB -0.031 63.237 63.200 0.114 0.000 0.938 242 S HN 1.195 nan 8.310 nan 0.000 0.496 243 F N 1.188 121.144 119.950 0.011 0.000 2.975 243 F HA -0.147 4.380 4.527 0.000 0.000 0.319 243 F C -0.705 175.094 175.800 -0.001 0.000 0.976 243 F CA -0.368 57.633 58.000 0.001 0.000 1.072 243 F CB -1.337 37.658 39.000 -0.008 0.000 1.165 243 F HN 0.443 nan 8.300 nan 0.000 0.758 244 I N 1.774 122.328 120.570 -0.027 0.000 2.441 244 I HA 0.135 4.305 4.170 0.000 0.000 0.287 244 I C 1.445 177.450 176.117 -0.187 0.000 1.049 244 I CA 0.349 61.593 61.300 -0.092 0.000 1.381 244 I CB 1.277 39.246 38.000 -0.051 0.000 1.409 244 I HN 0.365 nan 8.210 nan 0.000 0.523 245 R N 4.288 124.660 120.500 -0.214 0.000 2.257 245 R HA 0.194 4.534 4.340 0.000 0.000 0.195 245 R C -0.253 175.969 176.300 -0.130 0.000 0.921 245 R CA 0.390 56.353 56.100 -0.229 0.000 1.069 245 R CB 0.687 30.804 30.300 -0.304 0.000 1.115 245 R HN 0.665 nan 8.270 nan 0.000 0.571 246 K N -2.589 117.745 120.400 -0.109 0.000 2.607 246 K HA 0.461 4.782 4.320 0.000 0.000 0.287 246 K C -0.076 176.468 176.600 -0.093 0.000 0.996 246 K CA -0.200 56.037 56.287 -0.083 0.000 0.876 246 K CB 1.107 33.571 32.500 -0.060 0.000 1.496 246 K HN -0.128 nan 8.250 nan 0.000 0.415 247 A N 1.172 123.935 122.820 -0.095 0.000 1.940 247 A HA -0.253 4.067 4.320 0.000 0.000 0.221 247 A C 2.284 179.787 177.584 -0.135 0.000 1.190 247 A CA 2.888 54.833 52.037 -0.153 0.000 0.647 247 A CB -1.269 17.679 19.000 -0.086 0.000 0.821 247 A HN 0.905 nan 8.150 nan 0.000 0.457 248 A N -0.113 122.732 122.820 0.041 0.000 1.948 248 A HA -0.268 4.052 4.320 0.000 0.000 0.220 248 A C 1.741 179.352 177.584 0.044 0.000 1.177 248 A CA 2.075 54.184 52.037 0.120 0.000 0.636 248 A CB -0.635 18.403 19.000 0.064 0.000 0.815 248 A HN 0.559 nan 8.150 nan 0.000 0.449 249 D N -0.080 120.300 120.400 -0.033 0.000 2.097 249 D HA -0.118 4.522 4.640 0.000 0.000 0.195 249 D C 2.193 178.457 176.300 -0.061 0.000 0.989 249 D CA 1.887 55.863 54.000 -0.041 0.000 0.827 249 D CB -0.666 40.096 40.800 -0.064 0.000 0.966 249 D HN 0.374 nan 8.370 nan 0.000 0.456 250 V N 0.297 120.119 119.914 -0.153 0.000 2.358 250 V HA -0.232 3.888 4.120 0.000 0.000 0.246 250 V C 2.044 178.052 176.094 -0.144 0.000 1.047 250 V CA 1.627 63.817 62.300 -0.184 0.000 1.035 250 V CB -1.281 30.365 31.823 -0.295 0.000 0.658 250 V HN 0.211 nan 8.190 nan 0.000 0.452 251 H N 0.246 119.309 119.070 -0.012 0.000 2.352 251 H HA -0.125 4.431 4.556 0.000 0.000 0.299 251 H C 2.553 177.881 175.328 -0.000 0.000 1.097 251 H CA 1.675 57.719 56.048 -0.007 0.000 1.311 251 H CB 0.030 29.785 29.762 -0.011 0.000 1.377 251 H HN 0.376 nan 8.280 nan 0.000 0.504 252 E N 0.376 120.642 120.200 0.109 0.000 2.051 252 E HA -0.123 4.227 4.350 0.000 0.000 0.192 252 E C 2.563 179.191 176.600 0.047 0.000 0.991 252 E CA 0.708 57.148 56.400 0.067 0.000 0.799 252 E CB -0.376 29.354 29.700 0.050 0.000 0.748 252 E HN 0.262 nan 8.360 nan 0.000 0.449 253 V N 1.184 121.116 119.914 0.030 0.000 2.343 253 V HA -0.251 3.869 4.120 0.000 0.000 0.247 253 V C 2.620 178.730 176.094 0.027 0.000 1.051 253 V CA 1.895 64.209 62.300 0.023 0.000 1.036 253 V CB -0.451 31.378 31.823 0.011 0.000 0.654 253 V HN 0.181 nan 8.190 nan 0.000 0.451 254 R N -0.019 120.501 120.500 0.034 0.000 2.117 254 R HA -0.211 4.129 4.340 0.000 0.000 0.243 254 R C 2.355 178.682 176.300 0.046 0.000 1.143 254 R CA 1.805 57.932 56.100 0.044 0.000 0.968 254 R CB -0.172 30.168 30.300 0.068 0.000 0.863 254 R HN 0.468 nan 8.270 nan 0.000 0.444 255 K N -0.178 120.253 120.400 0.051 0.000 2.025 255 K HA -0.093 4.227 4.320 0.000 0.000 0.207 255 K C 1.954 178.574 176.600 0.033 0.000 1.049 255 K CA 1.189 57.501 56.287 0.041 0.000 0.933 255 K CB -0.066 32.459 32.500 0.042 0.000 0.714 255 K HN 0.129 nan 8.250 nan 0.000 0.438 256 I N 1.272 121.862 120.570 0.033 0.000 2.264 256 I HA -0.250 3.920 4.170 0.000 0.000 0.248 256 I C 2.170 178.301 176.117 0.025 0.000 1.111 256 I CA 1.217 62.534 61.300 0.030 0.000 1.382 256 I CB -1.063 36.955 38.000 0.029 0.000 1.060 256 I HN 0.091 nan 8.210 nan 0.000 0.418 257 L N 0.269 121.505 121.223 0.021 0.000 1.994 257 L HA 0.057 4.397 4.340 0.000 0.000 0.208 257 L C 1.532 178.413 176.870 0.018 0.000 1.071 257 L CA 1.725 56.574 54.840 0.015 0.000 0.745 257 L CB -1.376 40.691 42.059 0.013 0.000 0.892 257 L HN 0.500 nan 8.230 nan 0.000 0.431 258 G N -1.360 107.453 108.800 0.022 0.000 2.782 258 G HA2 -0.280 3.680 3.960 0.000 0.000 0.228 258 G HA3 -0.280 3.680 3.960 0.000 0.000 0.228 258 G C 0.718 175.629 174.900 0.019 0.000 1.372 258 G CA 0.073 45.186 45.100 0.021 0.000 0.862 258 G HN 0.148 nan 8.290 nan 0.000 0.547 259 E N -0.162 120.048 120.200 0.018 0.000 2.136 259 E HA -0.196 4.154 4.350 0.000 0.000 0.202 259 E C 2.610 179.219 176.600 0.015 0.000 1.019 259 E CA 1.797 58.207 56.400 0.017 0.000 0.819 259 E CB -0.176 29.533 29.700 0.015 0.000 0.739 259 E HN 0.471 nan 8.360 nan 0.000 0.458 260 K N -0.532 119.876 120.400 0.013 0.000 1.991 260 K HA -0.114 4.206 4.320 0.000 0.000 0.212 260 K C 1.500 178.105 176.600 0.008 0.000 1.049 260 K CA 1.429 57.721 56.287 0.009 0.000 0.932 260 K CB -0.705 31.799 32.500 0.006 0.000 0.717 260 K HN 0.149 nan 8.250 nan 0.000 0.441 261 G N 1.953 110.758 108.800 0.008 0.000 4.198 261 G HA2 0.115 4.075 3.960 0.000 0.000 0.282 261 G HA3 0.115 4.075 3.960 0.000 0.000 0.282 261 G C 0.668 175.579 174.900 0.018 0.000 1.262 261 G CA -0.308 44.797 45.100 0.008 0.000 1.473 261 G HN 0.290 nan 8.290 nan 0.000 0.624 262 K N -0.595 119.818 120.400 0.022 0.000 2.400 262 K HA 0.028 4.348 4.320 0.000 0.000 0.194 262 K C 1.155 177.777 176.600 0.037 0.000 1.033 262 K CA 0.602 56.907 56.287 0.029 0.000 1.021 262 K CB 0.164 32.682 32.500 0.029 0.000 0.808 262 K HN 0.219 nan 8.250 nan 0.000 0.505 263 N N 1.081 119.803 118.700 0.037 0.000 2.235 263 N HA 0.125 4.865 4.740 0.000 0.000 0.209 263 N C -0.390 175.152 175.510 0.053 0.000 1.122 263 N CA -0.177 52.902 53.050 0.049 0.000 0.845 263 N CB 0.131 38.648 38.487 0.050 0.000 1.004 263 N HN 0.183 nan 8.380 nan 0.000 0.499 264 I N 1.560 122.154 120.570 0.042 0.000 2.352 264 I HA 0.075 4.245 4.170 0.000 0.000 0.290 264 I C 0.193 176.342 176.117 0.053 0.000 1.036 264 I CA -0.576 60.748 61.300 0.040 0.000 1.336 264 I CB 0.688 38.698 38.000 0.018 0.000 1.407 264 I HN -0.183 nan 8.210 nan 0.000 0.497 265 K N 7.357 127.800 120.400 0.073 0.000 2.326 265 K HA 0.387 4.707 4.320 0.000 0.000 0.275 265 K C -0.370 176.278 176.600 0.080 0.000 1.018 265 K CA -0.135 56.201 56.287 0.081 0.000 0.962 265 K CB 1.234 33.795 32.500 0.101 0.000 0.953 265 K HN 0.525 nan 8.250 nan 0.000 0.475 266 I N 4.291 124.896 120.570 0.058 0.000 2.328 266 I HA 0.118 4.288 4.170 0.000 0.000 0.287 266 I C -0.428 175.709 176.117 0.033 0.000 1.012 266 I CA -0.793 60.536 61.300 0.050 0.000 1.195 266 I CB 0.887 38.898 38.000 0.019 0.000 1.350 266 I HN 0.211 nan 8.210 nan 0.000 0.464 267 I N 5.672 126.283 120.570 0.068 0.000 2.307 267 I HA 0.182 4.353 4.170 0.000 0.000 0.287 267 I C 0.467 176.572 176.117 -0.020 0.000 1.054 267 I CA -0.375 60.913 61.300 -0.020 0.000 1.218 267 I CB 0.724 38.643 38.000 -0.136 0.000 1.398 267 I HN 0.389 nan 8.210 nan 0.000 0.475 268 S N 6.751 122.427 115.700 -0.039 0.000 2.488 268 S HA 0.218 4.688 4.470 0.000 0.000 0.278 268 S C 0.370 174.961 174.600 -0.015 0.000 1.259 268 S CA -0.466 57.721 58.200 -0.020 0.000 1.061 268 S CB 0.255 63.434 63.200 -0.035 0.000 0.910 268 S HN 0.331 nan 8.310 nan 0.000 0.491 269 K N 2.972 123.381 120.400 0.016 0.000 2.267 269 K HA 0.280 4.600 4.320 0.000 0.000 0.282 269 K C -0.629 175.994 176.600 0.039 0.000 1.078 269 K CA -0.595 55.706 56.287 0.023 0.000 0.903 269 K CB 0.562 33.101 32.500 0.064 0.000 1.111 269 K HN 0.399 nan 8.250 nan 0.000 0.475 270 I N 4.086 124.672 120.570 0.025 0.000 2.389 270 I HA -0.003 4.167 4.170 0.000 0.000 0.295 270 I C 0.873 177.004 176.117 0.024 0.000 1.117 270 I CA 0.517 61.830 61.300 0.021 0.000 1.317 270 I CB 0.012 38.013 38.000 0.002 0.000 1.431 270 I HN 0.702 nan 8.210 nan 0.000 0.521 271 E N 4.380 124.624 120.200 0.073 0.000 2.489 271 E HA 0.078 4.428 4.350 0.000 0.000 0.204 271 E C 0.365 177.042 176.600 0.129 0.000 1.006 271 E CA -0.033 56.447 56.400 0.133 0.000 0.936 271 E CB 0.587 30.453 29.700 0.275 0.000 1.002 271 E HN 0.829 nan 8.360 nan 0.000 0.488 272 N N -2.411 116.323 118.700 0.057 0.000 3.316 272 N HA 0.142 4.882 4.740 0.000 0.000 0.300 272 N C 0.381 175.866 175.510 -0.042 0.000 1.567 272 N CA -0.642 52.435 53.050 0.045 0.000 0.821 272 N CB 0.869 39.468 38.487 0.186 0.000 1.748 272 N HN -0.230 nan 8.380 nan 0.000 0.603 273 H N -0.044 119.024 119.070 -0.003 0.000 2.251 273 H HA -0.127 4.429 4.556 0.000 0.000 0.294 273 H C 1.447 176.751 175.328 -0.039 0.000 1.078 273 H CA 2.532 58.566 56.048 -0.024 0.000 1.246 273 H CB 0.003 29.751 29.762 -0.023 0.000 1.358 273 H HN 0.531 nan 8.280 nan 0.000 0.488 274 E N -0.355 119.903 120.200 0.096 0.000 2.055 274 E HA -0.259 4.091 4.350 0.000 0.000 0.209 274 E C 2.549 179.143 176.600 -0.010 0.000 1.036 274 E CA 1.335 57.738 56.400 0.005 0.000 0.849 274 E CB -0.675 28.980 29.700 -0.076 0.000 0.767 274 E HN 0.639 nan 8.360 nan 0.000 0.461 275 G N 0.799 109.570 108.800 -0.048 0.000 2.505 275 G HA2 -0.294 3.666 3.960 0.000 0.000 0.220 275 G HA3 -0.294 3.666 3.960 0.000 0.000 0.220 275 G C 1.770 176.703 174.900 0.055 0.000 1.145 275 G CA 1.444 46.536 45.100 -0.012 0.000 0.761 275 G HN 0.203 nan 8.290 nan 0.000 0.571 276 V N 0.716 120.631 119.914 0.002 0.000 2.261 276 V HA -0.208 3.912 4.120 0.000 0.000 0.246 276 V C 2.941 179.063 176.094 0.046 0.000 1.047 276 V CA 2.370 64.656 62.300 -0.022 0.000 1.015 276 V CB -0.572 31.188 31.823 -0.105 0.000 0.642 276 V HN 0.320 nan 8.190 nan 0.000 0.446 277 R N 0.178 120.705 120.500 0.046 0.000 2.081 277 R HA -0.072 4.268 4.340 0.000 0.000 0.235 277 R C 2.090 178.424 176.300 0.057 0.000 1.131 277 R CA 1.341 57.471 56.100 0.051 0.000 0.960 277 R CB -0.287 30.042 30.300 0.048 0.000 0.856 277 R HN 0.472 nan 8.270 nan 0.000 0.436 278 R N -0.064 120.466 120.500 0.049 0.000 2.391 278 R HA 0.063 4.403 4.340 0.000 0.000 0.249 278 R C 1.043 177.364 176.300 0.036 0.000 0.957 278 R CA -0.192 55.922 56.100 0.024 0.000 1.093 278 R CB -0.092 30.201 30.300 -0.012 0.000 1.156 278 R HN 0.164 nan 8.270 nan 0.000 0.526 279 F N 2.539 122.455 119.950 -0.056 0.000 2.087 279 F HA -0.308 4.219 4.527 0.000 0.000 0.299 279 F C 1.606 177.371 175.800 -0.058 0.000 1.100 279 F CA 1.827 59.790 58.000 -0.062 0.000 1.226 279 F CB 0.050 39.011 39.000 -0.064 0.000 0.983 279 F HN 0.029 nan 8.300 nan 0.000 0.479 280 D N 0.181 120.470 120.400 -0.186 0.000 2.149 280 D HA -0.242 4.398 4.640 0.000 0.000 0.198 280 D C 2.161 178.271 176.300 -0.316 0.000 0.990 280 D CA 1.683 55.499 54.000 -0.306 0.000 0.839 280 D CB -0.469 40.270 40.800 -0.102 0.000 0.948 280 D HN 0.691 nan 8.370 nan 0.000 0.460 281 E N 0.390 120.460 120.200 -0.217 0.000 2.371 281 E HA -0.077 4.273 4.350 0.000 0.000 0.194 281 E C 2.100 178.576 176.600 -0.207 0.000 1.012 281 E CA 0.228 56.528 56.400 -0.166 0.000 0.860 281 E CB -0.054 29.590 29.700 -0.094 0.000 0.811 281 E HN 0.248 nan 8.360 nan 0.000 0.502 282 I N 1.061 121.460 120.570 -0.284 0.000 2.333 282 I HA -0.171 3.999 4.170 0.000 0.000 0.246 282 I C 2.526 178.440 176.117 -0.339 0.000 1.106 282 I CA 0.400 61.535 61.300 -0.276 0.000 1.411 282 I CB -0.086 37.788 38.000 -0.210 0.000 1.082 282 I HN 0.209 nan 8.210 nan 0.000 0.420 283 L N 0.716 121.606 121.223 -0.555 0.000 1.989 283 L HA -0.293 4.047 4.340 0.000 0.000 0.211 283 L C 2.477 179.188 176.870 -0.265 0.000 1.071 283 L CA 1.948 56.493 54.840 -0.492 0.000 0.749 283 L CB -0.285 41.354 42.059 -0.700 0.000 0.890 283 L HN 0.284 nan 8.230 nan 0.000 0.431 284 E N -0.564 119.497 120.200 -0.231 0.000 2.160 284 E HA -0.234 4.116 4.350 0.000 0.000 0.195 284 E C 1.860 178.399 176.600 -0.102 0.000 0.991 284 E CA 1.383 57.704 56.400 -0.132 0.000 0.810 284 E CB -0.023 29.618 29.700 -0.098 0.000 0.742 284 E HN 0.598 nan 8.360 nan 0.000 0.466 285 A N -0.232 122.500 122.820 -0.147 0.000 2.178 285 A HA 0.134 4.454 4.320 0.000 0.000 0.211 285 A C 0.988 178.489 177.584 -0.139 0.000 1.157 285 A CA 0.047 51.990 52.037 -0.157 0.000 0.780 285 A CB 0.352 19.151 19.000 -0.335 0.000 0.828 285 A HN 0.107 nan 8.150 nan 0.000 0.476 286 S N -0.170 115.451 115.700 -0.133 0.000 2.713 286 S HA 0.312 4.782 4.470 0.000 0.000 0.283 286 S C 0.044 174.606 174.600 -0.062 0.000 1.161 286 S CA -0.521 57.621 58.200 -0.097 0.000 0.999 286 S CB 1.013 64.153 63.200 -0.100 0.000 1.039 286 S HN 0.345 nan 8.310 nan 0.000 0.548 287 D N 0.185 120.560 120.400 -0.042 0.000 2.366 287 D HA 0.288 4.928 4.640 0.000 0.000 0.205 287 D C 0.676 176.941 176.300 -0.060 0.000 1.022 287 D CA 0.515 54.503 54.000 -0.020 0.000 0.868 287 D CB 0.638 41.446 40.800 0.015 0.000 0.953 287 D HN 0.660 nan 8.370 nan 0.000 0.514 288 G N 0.010 108.760 108.800 -0.083 0.000 2.466 288 G HA2 0.437 4.397 3.960 0.000 0.000 0.291 288 G HA3 0.437 4.397 3.960 0.000 0.000 0.291 288 G C -1.844 172.993 174.900 -0.106 0.000 1.460 288 G CA -0.543 44.482 45.100 -0.125 0.000 0.791 288 G HN -0.099 nan 8.290 nan 0.000 0.505 289 I N 0.648 121.154 120.570 -0.106 0.000 2.647 289 I HA 0.578 4.748 4.170 0.000 0.000 0.295 289 I C -0.249 175.788 176.117 -0.134 0.000 1.078 289 I CA -0.905 60.357 61.300 -0.063 0.000 1.048 289 I CB 1.951 40.000 38.000 0.082 0.000 1.239 289 I HN 0.694 nan 8.210 nan 0.000 0.421 290 M N 5.750 125.263 119.600 -0.146 0.000 2.311 290 M HA 0.505 4.986 4.480 0.000 0.000 0.325 290 M C -1.528 174.712 176.300 -0.099 0.000 1.061 290 M CA -0.651 54.541 55.300 -0.180 0.000 0.957 290 M CB 1.693 34.136 32.600 -0.263 0.000 1.646 290 M HN 0.254 nan 8.290 nan 0.000 0.434 291 V N 5.139 124.997 119.914 -0.094 0.000 2.339 291 V HA 0.365 4.485 4.120 0.000 0.000 0.261 291 V C 0.378 176.445 176.094 -0.046 0.000 1.058 291 V CA -0.447 61.807 62.300 -0.077 0.000 0.897 291 V CB 0.540 32.310 31.823 -0.088 0.000 1.052 291 V HN 0.901 nan 8.190 nan 0.000 0.480 292 A N 5.647 128.453 122.820 -0.022 0.000 2.807 292 A HA 0.356 4.676 4.320 0.000 0.000 0.307 292 A C 1.324 178.913 177.584 0.007 0.000 1.532 292 A CA -0.448 51.593 52.037 0.007 0.000 1.215 292 A CB -0.292 18.728 19.000 0.035 0.000 1.127 292 A HN 0.892 nan 8.150 nan 0.000 0.543 293 R N 1.556 122.058 120.500 0.003 0.000 2.241 293 R HA -0.071 4.269 4.340 0.000 0.000 0.224 293 R C 2.049 178.360 176.300 0.018 0.000 1.101 293 R CA 1.327 57.431 56.100 0.006 0.000 0.995 293 R CB -0.179 30.125 30.300 0.007 0.000 0.870 293 R HN 0.648 nan 8.270 nan 0.000 0.463 294 G N 1.203 110.020 108.800 0.027 0.000 2.556 294 G HA2 -0.262 3.698 3.960 0.000 0.000 0.215 294 G HA3 -0.262 3.698 3.960 0.000 0.000 0.215 294 G C 0.810 175.730 174.900 0.034 0.000 1.258 294 G CA 0.924 46.043 45.100 0.032 0.000 0.811 294 G HN 0.141 nan 8.290 nan 0.000 0.557 295 D N -0.034 120.390 120.400 0.039 0.000 2.104 295 D HA -0.107 4.533 4.640 0.000 0.000 0.194 295 D C 2.377 178.711 176.300 0.056 0.000 0.994 295 D CA 0.429 54.458 54.000 0.048 0.000 0.830 295 D CB -0.398 40.434 40.800 0.053 0.000 0.959 295 D HN 0.103 nan 8.370 nan 0.000 0.452 296 L N 0.757 122.003 121.223 0.038 0.000 2.081 296 L HA -0.086 4.254 4.340 0.000 0.000 0.212 296 L C 2.163 179.033 176.870 0.001 0.000 1.080 296 L CA 2.066 56.910 54.840 0.006 0.000 0.754 296 L CB -1.223 40.821 42.059 -0.024 0.000 0.893 296 L HN 0.122 nan 8.230 nan 0.000 0.433 297 G N -0.922 107.888 108.800 0.016 0.000 2.448 297 G HA2 -0.155 3.805 3.960 0.000 0.000 0.218 297 G HA3 -0.155 3.805 3.960 0.000 0.000 0.218 297 G C 1.587 176.517 174.900 0.050 0.000 1.135 297 G CA 0.846 45.960 45.100 0.024 0.000 0.784 297 G HN 0.504 nan 8.290 nan 0.000 0.543 298 I N -0.074 120.537 120.570 0.069 0.000 2.333 298 I HA 0.012 4.182 4.170 0.000 0.000 0.246 298 I C 2.530 178.796 176.117 0.249 0.000 1.106 298 I CA 0.948 62.316 61.300 0.114 0.000 1.411 298 I CB -0.222 37.840 38.000 0.102 0.000 1.082 298 I HN 0.122 nan 8.210 nan 0.000 0.420 299 E N 1.441 121.756 120.200 0.191 0.000 2.015 299 E HA -0.082 4.268 4.350 0.000 0.000 0.191 299 E C 1.002 177.707 176.600 0.176 0.000 0.991 299 E CA 0.981 57.499 56.400 0.197 0.000 0.802 299 E CB 0.019 29.811 29.700 0.154 0.000 0.759 299 E HN 0.531 nan 8.360 nan 0.000 0.447 300 I N -2.142 118.436 120.570 0.013 0.000 2.918 300 I HA 0.445 4.615 4.170 0.000 0.000 0.316 300 I C -2.393 173.760 176.117 0.060 0.000 1.001 300 I CA -2.756 58.519 61.300 -0.041 0.000 1.142 300 I CB 1.330 39.152 38.000 -0.297 0.000 1.356 300 I HN -0.233 nan 8.210 nan 0.000 0.524 301 P HA 0.199 nan 4.420 nan 0.000 0.280 301 P C 0.227 177.552 177.300 0.042 0.000 1.244 301 P CA -0.229 62.914 63.100 0.071 0.000 0.784 301 P CB 1.549 33.294 31.700 0.075 0.000 0.913 302 A N 4.196 127.046 122.820 0.050 0.000 1.940 302 A HA -0.290 4.030 4.320 0.000 0.000 0.221 302 A C 1.640 179.279 177.584 0.091 0.000 1.190 302 A CA 2.147 54.216 52.037 0.054 0.000 0.647 302 A CB -1.291 17.736 19.000 0.045 0.000 0.821 302 A HN 0.657 nan 8.150 nan 0.000 0.457 303 E N -0.153 120.109 120.200 0.104 0.000 2.333 303 E HA -0.130 4.220 4.350 0.000 0.000 0.198 303 E C 1.591 178.309 176.600 0.197 0.000 1.007 303 E CA 1.349 57.858 56.400 0.181 0.000 0.845 303 E CB -0.137 29.642 29.700 0.131 0.000 0.766 303 E HN 0.694 nan 8.360 nan 0.000 0.507 304 K N 0.118 120.532 120.400 0.023 0.000 2.354 304 K HA 0.120 4.440 4.320 0.000 0.000 0.194 304 K C 1.698 178.163 176.600 -0.225 0.000 1.038 304 K CA 0.019 56.205 56.287 -0.167 0.000 1.052 304 K CB 0.546 32.977 32.500 -0.116 0.000 0.861 304 K HN -0.062 nan 8.250 nan 0.000 0.535 305 V N 2.031 121.908 119.914 -0.063 0.000 2.332 305 V HA -0.284 3.836 4.120 0.000 0.000 0.248 305 V C 2.091 178.160 176.094 -0.041 0.000 1.055 305 V CA 2.042 64.315 62.300 -0.045 0.000 1.038 305 V CB -0.623 31.205 31.823 0.009 0.000 0.651 305 V HN 0.354 nan 8.190 nan 0.000 0.450 306 F N 0.518 120.444 119.950 -0.040 0.000 2.202 306 F HA -0.134 4.393 4.527 0.000 0.000 0.301 306 F C 1.858 177.626 175.800 -0.054 0.000 1.082 306 F CA 1.500 59.475 58.000 -0.042 0.000 1.313 306 F CB -1.299 37.684 39.000 -0.028 0.000 1.024 306 F HN 0.120 nan 8.300 nan 0.000 0.495 307 L N 1.201 121.893 121.223 -0.886 0.000 2.027 307 L HA -0.036 4.304 4.340 0.000 0.000 0.206 307 L C 2.999 179.679 176.870 -0.316 0.000 1.074 307 L CA 1.289 55.755 54.840 -0.623 0.000 0.745 307 L CB -1.581 40.084 42.059 -0.656 0.000 0.898 307 L HN 0.256 nan 8.230 nan 0.000 0.433 308 A N 0.184 122.833 122.820 -0.284 0.000 1.948 308 A HA -0.313 4.007 4.320 0.000 0.000 0.220 308 A C 2.374 179.822 177.584 -0.227 0.000 1.177 308 A CA 2.203 54.095 52.037 -0.242 0.000 0.636 308 A CB -0.725 18.144 19.000 -0.219 0.000 0.815 308 A HN 0.632 nan 8.150 nan 0.000 0.449 309 Q N -0.281 119.425 119.800 -0.156 0.000 2.046 309 Q HA -0.193 4.147 4.340 0.000 0.000 0.200 309 Q C 1.816 177.747 176.000 -0.115 0.000 0.975 309 Q CA 1.646 57.379 55.803 -0.116 0.000 0.836 309 Q CB -0.233 28.477 28.738 -0.046 0.000 0.896 309 Q HN 0.600 nan 8.270 nan 0.000 0.428 310 K N 0.415 120.763 120.400 -0.086 0.000 2.025 310 K HA -0.129 4.191 4.320 0.000 0.000 0.207 310 K C 2.260 178.791 176.600 -0.114 0.000 1.049 310 K CA 1.319 57.564 56.287 -0.070 0.000 0.933 310 K CB -0.475 32.014 32.500 -0.018 0.000 0.714 310 K HN 0.373 nan 8.250 nan 0.000 0.438 311 M N 1.678 121.184 119.600 -0.157 0.000 2.065 311 M HA -0.143 4.337 4.480 0.000 0.000 0.259 311 M C 2.112 178.258 176.300 -0.255 0.000 1.069 311 M CA 1.641 56.834 55.300 -0.178 0.000 1.110 311 M CB -0.445 32.039 32.600 -0.194 0.000 1.328 311 M HN 0.068 nan 8.290 nan 0.000 0.405 312 I N 0.138 120.468 120.570 -0.399 0.000 2.335 312 I HA -0.332 3.838 4.170 0.000 0.000 0.251 312 I C 2.282 178.248 176.117 -0.252 0.000 1.129 312 I CA 1.043 61.991 61.300 -0.588 0.000 1.402 312 I CB -0.330 37.310 38.000 -0.601 0.000 1.069 312 I HN 0.315 nan 8.210 nan 0.000 0.424 313 I N 0.208 120.679 120.570 -0.166 0.000 2.206 313 I HA -0.134 4.036 4.170 0.000 0.000 0.239 313 I C 2.747 178.829 176.117 -0.057 0.000 1.078 313 I CA 1.463 62.709 61.300 -0.091 0.000 1.367 313 I CB -0.982 36.973 38.000 -0.076 0.000 1.078 313 I HN 0.205 nan 8.210 nan 0.000 0.413 314 G N 0.733 109.497 108.800 -0.060 0.000 2.529 314 G HA2 -0.307 3.653 3.960 0.000 0.000 0.219 314 G HA3 -0.307 3.653 3.960 0.000 0.000 0.219 314 G C 1.763 176.654 174.900 -0.015 0.000 1.177 314 G CA 0.967 46.041 45.100 -0.043 0.000 0.773 314 G HN 0.244 nan 8.290 nan 0.000 0.573 315 R N -0.748 119.758 120.500 0.011 0.000 2.103 315 R HA -0.095 4.245 4.340 0.000 0.000 0.242 315 R C 2.739 179.102 176.300 0.104 0.000 1.142 315 R CA 1.628 57.786 56.100 0.096 0.000 0.960 315 R CB -0.779 29.672 30.300 0.250 0.000 0.858 315 R HN 0.437 nan 8.270 nan 0.000 0.439 316 C N -0.115 119.242 119.300 0.094 0.000 2.453 316 C HA -0.034 4.426 4.460 0.000 0.000 0.277 316 C C 2.176 177.159 174.990 -0.012 0.000 1.262 316 C CA 0.621 59.672 59.018 0.055 0.000 1.718 316 C CB -1.145 26.613 27.740 0.029 0.000 2.031 316 C HN 0.598 nan 8.230 nan 0.000 0.480 317 N N 0.059 118.741 118.700 -0.030 0.000 2.132 317 N HA -0.219 4.521 4.740 0.000 0.000 0.191 317 N C 2.098 177.562 175.510 -0.077 0.000 1.015 317 N CA 1.039 54.056 53.050 -0.055 0.000 0.864 317 N CB -0.238 38.218 38.487 -0.052 0.000 1.006 317 N HN 0.517 nan 8.380 nan 0.000 0.430 318 R N 1.166 121.635 120.500 -0.052 0.000 2.066 318 R HA -0.035 4.305 4.340 0.000 0.000 0.232 318 R C 1.990 178.258 176.300 -0.054 0.000 1.131 318 R CA 1.364 57.431 56.100 -0.054 0.000 0.955 318 R CB -0.218 30.070 30.300 -0.019 0.000 0.851 318 R HN 0.135 nan 8.270 nan 0.000 0.432 319 A N -0.168 122.634 122.820 -0.029 0.000 2.119 319 A HA 0.096 4.416 4.320 0.000 0.000 0.217 319 A C 1.429 178.993 177.584 -0.032 0.000 1.153 319 A CA 1.179 53.203 52.037 -0.021 0.000 0.692 319 A CB -0.404 18.586 19.000 -0.017 0.000 0.799 319 A HN 0.647 nan 8.150 nan 0.000 0.458 320 G N -0.974 107.794 108.800 -0.053 0.000 2.160 320 G HA2 -0.230 3.730 3.960 0.000 0.000 0.244 320 G HA3 -0.230 3.730 3.960 0.000 0.000 0.244 320 G C -0.021 174.882 174.900 0.005 0.000 1.022 320 G CA 0.467 45.546 45.100 -0.036 0.000 0.741 320 G HN 0.547 nan 8.290 nan 0.000 0.508 321 K N 0.987 121.360 120.400 -0.044 0.000 2.244 321 K HA 0.447 4.767 4.320 0.000 0.000 0.260 321 K C -2.479 174.012 176.600 -0.181 0.000 0.951 321 K CA -2.012 54.219 56.287 -0.093 0.000 0.826 321 K CB 2.510 34.969 32.500 -0.069 0.000 1.108 321 K HN 0.016 nan 8.250 nan 0.000 0.433 322 P HA -0.017 nan 4.420 nan 0.000 0.266 322 P C -0.682 176.473 177.300 -0.241 0.000 1.195 322 P CA -0.243 62.608 63.100 -0.415 0.000 0.768 322 P CB 0.797 32.082 31.700 -0.691 0.000 0.838 323 V N 4.699 124.502 119.914 -0.186 0.000 2.709 323 V HA 0.514 4.634 4.120 0.000 0.000 0.308 323 V C -0.674 175.337 176.094 -0.138 0.000 1.062 323 V CA -1.055 61.161 62.300 -0.140 0.000 0.901 323 V CB 1.602 33.370 31.823 -0.091 0.000 1.003 323 V HN 0.311 nan 8.190 nan 0.000 0.425 324 I N 6.016 126.494 120.570 -0.154 0.000 2.441 324 I HA 0.484 4.655 4.170 0.000 0.000 0.295 324 I C -0.400 175.655 176.117 -0.103 0.000 0.994 324 I CA -0.404 60.812 61.300 -0.140 0.000 1.144 324 I CB 1.687 39.548 38.000 -0.232 0.000 1.314 324 I HN 0.664 nan 8.210 nan 0.000 0.445 325 C N 6.376 125.639 119.300 -0.062 0.000 2.322 325 C HA 0.896 5.356 4.460 0.000 0.000 0.324 325 C C 0.235 175.215 174.990 -0.017 0.000 1.284 325 C CA -0.093 58.901 59.018 -0.040 0.000 1.606 325 C CB -0.238 27.487 27.740 -0.026 0.000 2.251 325 C HN 0.876 nan 8.230 nan 0.000 0.502 326 A N 4.219 127.033 122.820 -0.010 0.000 2.430 326 A HA 0.934 5.255 4.320 0.000 0.000 0.300 326 A C -0.066 177.532 177.584 0.023 0.000 1.124 326 A CA -0.175 51.871 52.037 0.014 0.000 0.766 326 A CB 0.918 19.931 19.000 0.020 0.000 1.328 326 A HN 1.453 nan 8.150 nan 0.000 0.424 327 T N 1.419 115.996 114.554 0.038 0.000 0.609 327 T HA -0.098 4.252 4.350 0.000 0.000 0.766 327 T C -0.007 174.713 174.700 0.034 0.000 0.991 327 T CA 1.075 63.199 62.100 0.040 0.000 4.041 327 T CB -1.326 67.566 68.868 0.038 0.000 2.283 327 T HN 1.460 nan 8.240 nan 0.000 0.395 328 Q N -0.219 119.603 119.800 0.037 0.000 2.506 328 Q HA -0.228 4.112 4.340 0.000 0.000 0.268 328 Q C 1.423 177.440 176.000 0.028 0.000 1.002 328 Q CA 1.409 57.231 55.803 0.031 0.000 1.052 328 Q CB -1.319 27.436 28.738 0.027 0.000 1.383 328 Q HN 0.879 nan 8.270 nan 0.000 0.537 329 M N -0.884 118.734 119.600 0.030 0.000 2.254 329 M HA -0.049 4.431 4.480 0.000 0.000 0.265 329 M C 0.692 177.007 176.300 0.025 0.000 1.066 329 M CA 1.073 56.389 55.300 0.026 0.000 1.123 329 M CB 0.144 32.760 32.600 0.028 0.000 1.388 329 M HN 0.063 nan 8.290 nan 0.000 0.425 330 L N 0.496 121.738 121.223 0.030 0.000 2.913 330 L HA 0.268 4.608 4.340 0.000 0.000 0.283 330 L C 1.179 178.068 176.870 0.033 0.000 1.336 330 L CA 0.072 54.929 54.840 0.029 0.000 0.815 330 L CB -0.068 42.012 42.059 0.035 0.000 1.188 330 L HN 0.163 nan 8.230 nan 0.000 0.551 331 E N -0.008 120.210 120.200 0.030 0.000 2.097 331 E HA -0.234 4.116 4.350 0.000 0.000 0.196 331 E C 1.910 178.531 176.600 0.034 0.000 1.000 331 E CA 1.790 58.210 56.400 0.033 0.000 0.804 331 E CB 0.442 30.159 29.700 0.029 0.000 0.740 331 E HN 0.651 nan 8.360 nan 0.000 0.454 332 S N 0.890 116.604 115.700 0.024 0.000 2.370 332 S HA -0.222 4.249 4.470 0.000 0.000 0.226 332 S C 1.982 176.603 174.600 0.035 0.000 1.033 332 S CA 1.283 59.496 58.200 0.021 0.000 1.011 332 S CB -0.423 62.780 63.200 0.005 0.000 0.852 332 S HN 0.174 nan 8.310 nan 0.000 0.457 333 M N 0.719 120.339 119.600 0.032 0.000 2.699 333 M HA 0.062 4.542 4.480 0.000 0.000 0.253 333 M C 1.472 177.852 176.300 0.132 0.000 1.062 333 M CA 0.973 56.305 55.300 0.053 0.000 1.050 333 M CB -0.502 32.125 32.600 0.046 0.000 1.380 333 M HN 0.432 nan 8.290 nan 0.000 0.520 334 I N -0.944 119.692 120.570 0.110 0.000 2.584 334 I HA -0.231 3.939 4.170 0.000 0.000 0.255 334 I C 1.854 178.068 176.117 0.161 0.000 1.145 334 I CA 1.202 62.573 61.300 0.119 0.000 1.462 334 I CB -0.002 38.043 38.000 0.075 0.000 1.102 334 I HN 0.226 nan 8.210 nan 0.000 0.433 335 K N -0.199 120.294 120.400 0.156 0.000 2.435 335 K HA 0.197 4.517 4.320 0.000 0.000 0.199 335 K C 0.013 176.749 176.600 0.226 0.000 1.153 335 K CA 0.121 56.515 56.287 0.178 0.000 0.974 335 K CB 0.790 33.349 32.500 0.099 0.000 0.997 335 K HN 0.087 nan 8.250 nan 0.000 0.547 336 K N 0.627 121.082 120.400 0.091 0.000 2.281 336 K HA 0.238 4.558 4.320 0.000 0.000 0.242 336 K C -2.343 173.975 176.600 -0.470 0.000 0.971 336 K CA -2.047 54.170 56.287 -0.117 0.000 0.834 336 K CB 1.676 34.127 32.500 -0.082 0.000 1.181 336 K HN -0.280 nan 8.250 nan 0.000 0.435 337 P HA 0.026 nan 4.420 nan 0.000 0.245 337 P C -0.550 176.539 177.300 -0.351 0.000 1.206 337 P CA 0.469 63.035 63.100 -0.889 0.000 0.781 337 P CB 0.511 31.762 31.700 -0.748 0.000 0.994 338 R N 0.487 120.849 120.500 -0.231 0.000 2.575 338 R HA 0.473 4.814 4.340 0.000 0.000 0.293 338 R C -2.606 173.648 176.300 -0.076 0.000 0.983 338 R CA -2.169 53.859 56.100 -0.120 0.000 0.887 338 R CB 1.599 31.843 30.300 -0.092 0.000 1.184 338 R HN -0.043 nan 8.270 nan 0.000 0.445 339 P HA 0.047 nan 4.420 nan 0.000 0.274 339 P C -0.237 177.050 177.300 -0.022 0.000 1.246 339 P CA -0.433 62.653 63.100 -0.024 0.000 0.795 339 P CB 0.624 32.317 31.700 -0.010 0.000 1.006 340 T N -1.363 113.182 114.554 -0.015 0.000 2.788 340 T HA 0.214 4.564 4.350 0.000 0.000 0.280 340 T C 1.334 176.026 174.700 -0.013 0.000 0.984 340 T CA -0.676 61.415 62.100 -0.014 0.000 0.972 340 T CB 0.472 69.334 68.868 -0.011 0.000 1.039 340 T HN 0.220 nan 8.240 nan 0.000 0.530 341 R N 0.384 120.876 120.500 -0.014 0.000 2.280 341 R HA 0.073 4.413 4.340 0.000 0.000 0.207 341 R C 2.254 178.546 176.300 -0.013 0.000 1.043 341 R CA 0.918 57.010 56.100 -0.014 0.000 1.006 341 R CB -1.080 29.211 30.300 -0.015 0.000 0.885 341 R HN 0.800 nan 8.270 nan 0.000 0.467 342 A N 1.831 124.643 122.820 -0.013 0.000 1.878 342 A HA -0.090 4.230 4.320 0.000 0.000 0.213 342 A C 1.955 179.534 177.584 -0.008 0.000 1.192 342 A CA 0.500 52.529 52.037 -0.013 0.000 0.619 342 A CB -0.094 18.897 19.000 -0.014 0.000 0.837 342 A HN 0.273 nan 8.150 nan 0.000 0.446 343 E N 0.157 120.355 120.200 -0.004 0.000 2.118 343 E HA -0.168 4.182 4.350 0.000 0.000 0.195 343 E C 2.011 178.612 176.600 0.002 0.000 0.992 343 E CA 1.052 57.453 56.400 0.002 0.000 0.804 343 E CB -0.593 29.110 29.700 0.005 0.000 0.741 343 E HN 0.533 nan 8.360 nan 0.000 0.458 344 G N 2.283 111.082 108.800 -0.001 0.000 2.491 344 G HA2 -0.386 3.574 3.960 0.000 0.000 0.218 344 G HA3 -0.386 3.574 3.960 0.000 0.000 0.218 344 G C 1.885 176.785 174.900 -0.000 0.000 1.180 344 G CA 1.907 47.007 45.100 -0.001 0.000 0.774 344 G HN 0.436 nan 8.290 nan 0.000 0.562 345 S N 0.784 116.482 115.700 -0.004 0.000 2.370 345 S HA -0.199 4.271 4.470 0.000 0.000 0.226 345 S C 1.907 176.507 174.600 -0.000 0.000 1.033 345 S CA 1.823 60.021 58.200 -0.004 0.000 1.011 345 S CB -0.540 62.653 63.200 -0.012 0.000 0.852 345 S HN 0.334 nan 8.310 nan 0.000 0.457 346 D N 1.633 122.033 120.400 -0.000 0.000 2.127 346 D HA -0.118 4.522 4.640 0.000 0.000 0.190 346 D C 1.941 178.247 176.300 0.010 0.000 1.000 346 D CA 1.596 55.599 54.000 0.005 0.000 0.839 346 D CB -0.634 40.171 40.800 0.007 0.000 0.955 346 D HN 0.295 nan 8.370 nan 0.000 0.446 347 V N 1.017 120.938 119.914 0.011 0.000 2.255 347 V HA -0.271 3.849 4.120 0.000 0.000 0.247 347 V C 2.653 178.755 176.094 0.013 0.000 1.051 347 V CA 2.157 64.466 62.300 0.014 0.000 1.018 347 V CB -1.118 30.714 31.823 0.016 0.000 0.641 347 V HN 0.340 nan 8.190 nan 0.000 0.445 348 A N 0.221 123.047 122.820 0.011 0.000 1.892 348 A HA -0.321 3.999 4.320 0.000 0.000 0.218 348 A C 2.028 179.623 177.584 0.018 0.000 1.188 348 A CA 2.658 54.704 52.037 0.014 0.000 0.631 348 A CB -0.919 18.089 19.000 0.013 0.000 0.822 348 A HN 0.704 nan 8.150 nan 0.000 0.447 349 N N -0.225 118.484 118.700 0.016 0.000 2.171 349 N HA 0.052 4.792 4.740 0.000 0.000 0.184 349 N C 1.896 177.415 175.510 0.015 0.000 1.021 349 N CA 1.089 54.150 53.050 0.019 0.000 0.854 349 N CB -0.278 38.218 38.487 0.015 0.000 0.994 349 N HN 0.470 nan 8.380 nan 0.000 0.426 350 A N 0.479 123.306 122.820 0.012 0.000 1.978 350 A HA -0.097 4.223 4.320 0.000 0.000 0.220 350 A C 2.268 179.854 177.584 0.004 0.000 1.170 350 A CA 1.138 53.179 52.037 0.006 0.000 0.636 350 A CB -0.682 18.321 19.000 0.005 0.000 0.810 350 A HN 0.126 nan 8.150 nan 0.000 0.448 351 V N -0.685 119.236 119.914 0.011 0.000 2.453 351 V HA -0.158 3.962 4.120 0.000 0.000 0.247 351 V C 2.388 178.489 176.094 0.011 0.000 1.048 351 V CA 1.579 63.887 62.300 0.013 0.000 1.049 351 V CB -0.499 31.336 31.823 0.019 0.000 0.672 351 V HN 0.490 nan 8.190 nan 0.000 0.457 352 L N -0.117 121.114 121.223 0.014 0.000 2.217 352 L HA -0.079 4.261 4.340 0.000 0.000 0.211 352 L C 2.014 178.881 176.870 -0.006 0.000 1.107 352 L CA 1.678 56.527 54.840 0.014 0.000 0.783 352 L CB -0.942 41.140 42.059 0.038 0.000 0.919 352 L HN 0.327 nan 8.230 nan 0.000 0.442 353 D N -0.570 119.827 120.400 -0.006 0.000 2.117 353 D HA 0.009 4.649 4.640 0.000 0.000 0.198 353 D C 1.725 178.007 176.300 -0.031 0.000 0.982 353 D CA 1.530 55.518 54.000 -0.020 0.000 0.828 353 D CB 0.123 40.914 40.800 -0.014 0.000 0.967 353 D HN 0.381 nan 8.370 nan 0.000 0.464 354 G N -0.862 107.924 108.800 -0.023 0.000 2.507 354 G HA2 0.029 3.989 3.960 0.000 0.000 0.205 354 G HA3 0.029 3.989 3.960 0.000 0.000 0.205 354 G C 0.268 175.153 174.900 -0.025 0.000 0.996 354 G CA 0.077 45.162 45.100 -0.024 0.000 0.776 354 G HN 0.485 nan 8.290 nan 0.000 0.532 355 A N 0.815 123.621 122.820 -0.024 0.000 2.566 355 A HA 0.410 4.730 4.320 0.000 0.000 0.245 355 A C 1.303 178.873 177.584 -0.025 0.000 1.056 355 A CA 1.065 53.083 52.037 -0.032 0.000 0.757 355 A CB 0.188 19.171 19.000 -0.028 0.000 0.979 355 A HN 0.264 nan 8.150 nan 0.000 0.508 356 D N 0.950 121.320 120.400 -0.050 0.000 2.144 356 D HA -0.040 4.600 4.640 0.000 0.000 0.200 356 D C 0.356 176.646 176.300 -0.016 0.000 0.978 356 D CA 1.347 55.319 54.000 -0.046 0.000 0.833 356 D CB 0.037 40.758 40.800 -0.130 0.000 0.961 356 D HN 0.595 nan 8.370 nan 0.000 0.470 357 C N -0.053 119.229 119.300 -0.029 0.000 3.154 357 C HA 0.672 5.132 4.460 0.000 0.000 0.312 357 C C -0.367 174.622 174.990 -0.002 0.000 1.349 357 C CA -1.064 57.952 59.018 -0.003 0.000 1.518 357 C CB 2.098 29.835 27.740 -0.006 0.000 1.934 357 C HN 0.162 nan 8.230 nan 0.000 0.462 358 I N -0.115 120.466 120.570 0.019 0.000 2.730 358 I HA 0.804 4.974 4.170 0.000 0.000 0.298 358 I C -0.934 175.206 176.117 0.039 0.000 1.089 358 I CA -0.740 60.574 61.300 0.023 0.000 1.041 358 I CB 1.809 39.825 38.000 0.027 0.000 1.235 358 I HN 0.748 nan 8.210 nan 0.000 0.423 359 M N 5.113 124.738 119.600 0.042 0.000 2.644 359 M HA 0.688 5.168 4.480 0.000 0.000 0.304 359 M C -2.182 174.156 176.300 0.062 0.000 1.215 359 M CA -0.708 54.630 55.300 0.063 0.000 0.871 359 M CB 2.868 35.513 32.600 0.075 0.000 1.740 359 M HN 0.673 nan 8.290 nan 0.000 0.464 360 L N 1.793 123.060 121.223 0.073 0.000 2.439 360 L HA 0.450 4.790 4.340 0.000 0.000 0.270 360 L C -0.363 176.554 176.870 0.079 0.000 0.972 360 L CA -0.361 54.520 54.840 0.069 0.000 0.836 360 L CB 2.268 44.365 42.059 0.064 0.000 1.255 360 L HN 0.799 nan 8.230 nan 0.000 0.404 361 S N 1.431 117.177 115.700 0.076 0.000 2.970 361 S HA 0.130 4.600 4.470 0.000 0.000 0.165 361 S C 1.572 176.218 174.600 0.077 0.000 0.813 361 S CA 0.532 58.782 58.200 0.083 0.000 1.195 361 S CB -0.105 63.145 63.200 0.082 0.000 0.633 361 S HN 0.875 nan 8.310 nan 0.000 0.543 362 G N 0.819 109.661 108.800 0.071 0.000 2.509 362 G HA2 -0.122 3.838 3.960 0.000 0.000 0.218 362 G HA3 -0.122 3.838 3.960 0.000 0.000 0.218 362 G C 0.982 175.919 174.900 0.061 0.000 1.124 362 G CA 0.722 45.861 45.100 0.064 0.000 0.776 362 G HN 0.519 nan 8.290 nan 0.000 0.547 363 E N 0.181 120.420 120.200 0.065 0.000 2.147 363 E HA -0.154 4.196 4.350 0.000 0.000 0.199 363 E C 2.711 179.353 176.600 0.070 0.000 1.005 363 E CA 1.927 58.370 56.400 0.070 0.000 0.810 363 E CB -0.142 29.599 29.700 0.069 0.000 0.736 363 E HN 0.612 nan 8.360 nan 0.000 0.460 364 T N -3.556 111.035 114.554 0.063 0.000 2.969 364 T HA 0.402 4.752 4.350 0.000 0.000 0.250 364 T C 1.875 176.605 174.700 0.050 0.000 1.021 364 T CA 0.210 62.343 62.100 0.055 0.000 1.003 364 T CB 0.252 69.153 68.868 0.055 0.000 1.040 364 T HN 0.127 nan 8.240 nan 0.000 0.492 365 A N 2.355 125.210 122.820 0.058 0.000 1.898 365 A HA 0.212 4.532 4.320 0.000 0.000 0.214 365 A C 2.198 179.811 177.584 0.048 0.000 1.183 365 A CA 1.029 53.103 52.037 0.062 0.000 0.622 365 A CB -0.173 18.875 19.000 0.080 0.000 0.824 365 A HN 0.514 nan 8.150 nan 0.000 0.444 366 K N -1.445 118.978 120.400 0.039 0.000 2.511 366 K HA 0.197 4.517 4.320 0.000 0.000 0.209 366 K C 0.989 177.595 176.600 0.010 0.000 1.301 366 K CA 0.280 56.580 56.287 0.022 0.000 0.967 366 K CB 0.569 33.081 32.500 0.019 0.000 1.109 366 K HN 0.346 nan 8.250 nan 0.000 0.561 367 G N 1.509 110.323 108.800 0.023 0.000 2.614 367 G HA2 -0.060 3.900 3.960 0.000 0.000 0.239 367 G HA3 -0.060 3.900 3.960 0.000 0.000 0.239 367 G C -0.134 174.747 174.900 -0.031 0.000 1.240 367 G CA -0.158 44.957 45.100 0.024 0.000 0.842 367 G HN 0.031 nan 8.290 nan 0.000 0.584 368 D N -0.747 119.608 120.400 -0.074 0.000 2.349 368 D HA 0.068 4.708 4.640 0.000 0.000 0.224 368 D C -0.230 175.666 176.300 -0.674 0.000 1.029 368 D CA 0.831 54.623 54.000 -0.345 0.000 0.879 368 D CB 0.140 40.687 40.800 -0.422 0.000 0.906 368 D HN 0.437 nan 8.370 nan 0.000 0.528 369 Y N -1.098 119.212 120.300 0.017 0.000 2.712 369 Y HA 0.203 4.753 4.550 0.000 0.000 0.287 369 Y C -1.781 174.132 175.900 0.021 0.000 0.944 369 Y CA -1.610 56.501 58.100 0.018 0.000 1.122 369 Y CB 1.188 39.658 38.460 0.018 0.000 1.182 369 Y HN -0.125 nan 8.280 nan 0.000 0.632 370 P HA -0.215 nan 4.420 nan 0.000 0.215 370 P C 1.478 178.828 177.300 0.083 0.000 1.163 370 P CA 1.732 64.878 63.100 0.077 0.000 0.894 370 P CB 0.503 32.227 31.700 0.040 0.000 0.791 371 L N -1.108 120.163 121.223 0.080 0.000 2.156 371 L HA -0.094 4.246 4.340 0.000 0.000 0.208 371 L C 2.459 179.377 176.870 0.081 0.000 1.095 371 L CA 1.279 56.160 54.840 0.069 0.000 0.770 371 L CB -1.023 41.070 42.059 0.057 0.000 0.914 371 L HN -0.097 nan 8.230 nan 0.000 0.439 372 E N 0.575 120.845 120.200 0.117 0.000 2.153 372 E HA -0.176 4.174 4.350 0.000 0.000 0.194 372 E C 2.293 178.939 176.600 0.077 0.000 0.988 372 E CA 1.328 57.789 56.400 0.101 0.000 0.811 372 E CB -0.223 29.560 29.700 0.138 0.000 0.746 372 E HN 0.459 nan 8.360 nan 0.000 0.466 373 A N 0.291 123.166 122.820 0.092 0.000 1.854 373 A HA -0.120 4.200 4.320 0.000 0.000 0.214 373 A C 2.452 180.076 177.584 0.068 0.000 1.192 373 A CA 1.234 53.316 52.037 0.074 0.000 0.611 373 A CB -0.737 18.312 19.000 0.082 0.000 0.832 373 A HN 0.134 nan 8.150 nan 0.000 0.442 374 V N 0.639 120.592 119.914 0.066 0.000 2.282 374 V HA -0.332 3.788 4.120 0.000 0.000 0.249 374 V C 2.651 178.794 176.094 0.081 0.000 1.057 374 V CA 2.389 64.726 62.300 0.062 0.000 1.032 374 V CB -0.965 30.883 31.823 0.042 0.000 0.645 374 V HN 0.535 nan 8.190 nan 0.000 0.447 375 R N -0.995 119.549 120.500 0.073 0.000 2.096 375 R HA -0.185 4.155 4.340 0.000 0.000 0.235 375 R C 2.250 178.624 176.300 0.124 0.000 1.127 375 R CA 1.690 57.847 56.100 0.096 0.000 0.968 375 R CB -0.491 29.850 30.300 0.068 0.000 0.861 375 R HN 0.362 nan 8.270 nan 0.000 0.440 376 M N 1.391 121.041 119.600 0.083 0.000 2.086 376 M HA -0.162 4.319 4.480 0.000 0.000 0.261 376 M C 2.015 178.358 176.300 0.071 0.000 1.067 376 M CA 1.732 57.070 55.300 0.064 0.000 1.116 376 M CB -0.410 32.214 32.600 0.040 0.000 1.348 376 M HN 0.064 nan 8.290 nan 0.000 0.407 377 Q N -1.547 118.302 119.800 0.082 0.000 2.061 377 Q HA -0.278 4.063 4.340 0.000 0.000 0.204 377 Q C 2.146 178.202 176.000 0.094 0.000 0.984 377 Q CA 2.217 58.067 55.803 0.078 0.000 0.846 377 Q CB -0.588 28.197 28.738 0.078 0.000 0.902 377 Q HN 0.740 nan 8.270 nan 0.000 0.421 378 H N 0.167 119.256 119.070 0.032 0.000 2.353 378 H HA -0.142 4.414 4.556 0.000 0.000 0.300 378 H C 1.807 177.159 175.328 0.040 0.000 1.090 378 H CA 1.261 57.331 56.048 0.038 0.000 1.327 378 H CB -0.059 29.726 29.762 0.039 0.000 1.383 378 H HN 0.096 nan 8.280 nan 0.000 0.508 379 L N 0.607 121.788 121.223 -0.071 0.000 2.046 379 L HA -0.143 4.197 4.340 0.000 0.000 0.208 379 L C 2.347 179.161 176.870 -0.093 0.000 1.077 379 L CA 1.507 56.294 54.840 -0.090 0.000 0.747 379 L CB -0.817 41.258 42.059 0.028 0.000 0.896 379 L HN 0.506 nan 8.230 nan 0.000 0.432 380 I N -1.350 119.192 120.570 -0.046 0.000 2.353 380 I HA -0.203 3.967 4.170 0.000 0.000 0.248 380 I C 2.503 178.599 176.117 -0.035 0.000 1.119 380 I CA 0.965 62.249 61.300 -0.027 0.000 1.417 380 I CB -0.768 37.230 38.000 -0.003 0.000 1.078 380 I HN 0.183 nan 8.210 nan 0.000 0.421 381 A N 1.295 124.083 122.820 -0.053 0.000 1.940 381 A HA -0.189 4.131 4.320 0.000 0.000 0.219 381 A C 2.444 179.996 177.584 -0.054 0.000 1.176 381 A CA 1.440 53.453 52.037 -0.039 0.000 0.631 381 A CB -0.518 18.464 19.000 -0.029 0.000 0.814 381 A HN 0.339 nan 8.150 nan 0.000 0.446 382 R N -0.758 119.668 120.500 -0.122 0.000 2.093 382 R HA -0.042 4.298 4.340 0.000 0.000 0.224 382 R C 2.029 178.312 176.300 -0.028 0.000 1.101 382 R CA 1.089 57.134 56.100 -0.092 0.000 0.979 382 R CB -0.200 30.003 30.300 -0.161 0.000 0.877 382 R HN 0.535 nan 8.270 nan 0.000 0.441 383 E N 0.909 121.092 120.200 -0.028 0.000 2.028 383 E HA -0.139 4.211 4.350 0.000 0.000 0.191 383 E C 2.083 178.697 176.600 0.024 0.000 0.988 383 E CA 1.270 57.669 56.400 -0.000 0.000 0.799 383 E CB -0.263 29.433 29.700 -0.006 0.000 0.755 383 E HN 0.263 nan 8.360 nan 0.000 0.447 384 A N 1.691 124.523 122.820 0.020 0.000 1.873 384 A HA -0.277 4.043 4.320 0.000 0.000 0.218 384 A C 2.072 179.692 177.584 0.060 0.000 1.193 384 A CA 2.072 54.132 52.037 0.038 0.000 0.629 384 A CB -0.745 18.271 19.000 0.026 0.000 0.826 384 A HN 0.255 nan 8.150 nan 0.000 0.447 385 E N -0.588 119.647 120.200 0.058 0.000 2.130 385 E HA -0.173 4.177 4.350 0.000 0.000 0.196 385 E C 2.157 178.859 176.600 0.169 0.000 0.998 385 E CA 1.188 57.646 56.400 0.097 0.000 0.806 385 E CB -0.282 29.470 29.700 0.087 0.000 0.738 385 E HN 0.652 nan 8.360 nan 0.000 0.459 386 A N 0.694 123.598 122.820 0.140 0.000 2.067 386 A HA 0.111 4.431 4.320 0.000 0.000 0.217 386 A C 2.120 179.835 177.584 0.217 0.000 1.156 386 A CA 1.061 53.212 52.037 0.190 0.000 0.683 386 A CB -0.105 18.959 19.000 0.107 0.000 0.808 386 A HN 0.248 nan 8.150 nan 0.000 0.455 387 A N -0.434 122.479 122.820 0.155 0.000 2.259 387 A HA 0.415 4.735 4.320 0.000 0.000 0.208 387 A C 0.977 178.734 177.584 0.288 0.000 1.201 387 A CA -0.176 51.969 52.037 0.179 0.000 0.824 387 A CB -0.621 18.444 19.000 0.108 0.000 0.838 387 A HN 0.586 nan 8.150 nan 0.000 0.485 388 M N -1.548 118.136 119.600 0.140 0.000 2.202 388 M HA 0.315 4.795 4.480 0.000 0.000 0.316 388 M C -0.221 176.097 176.300 0.030 0.000 1.138 388 M CA -0.204 55.069 55.300 -0.045 0.000 1.151 388 M CB 0.279 32.673 32.600 -0.343 0.000 1.422 388 M HN 0.168 nan 8.290 nan 0.000 0.471 389 F N 2.335 122.082 119.950 -0.338 0.000 2.395 389 F HA 0.286 4.813 4.527 0.000 0.000 0.347 389 F C 1.186 176.875 175.800 -0.185 0.000 1.157 389 F CA -0.875 56.916 58.000 -0.349 0.000 1.272 389 F CB -0.734 37.910 39.000 -0.593 0.000 1.607 389 F HN 0.567 nan 8.300 nan 0.000 0.571 390 H N 2.133 121.223 119.070 0.033 0.000 2.319 390 H HA -0.205 4.351 4.556 0.000 0.000 0.299 390 H C 2.290 177.421 175.328 -0.328 0.000 1.092 390 H CA 1.783 57.742 56.048 -0.148 0.000 1.302 390 H CB 0.115 29.737 29.762 -0.234 0.000 1.373 390 H HN 0.464 nan 8.280 nan 0.000 0.497 391 R N 1.312 121.601 120.500 -0.352 0.000 2.094 391 R HA -0.181 4.159 4.340 0.000 0.000 0.239 391 R C 2.346 178.462 176.300 -0.307 0.000 1.137 391 R CA 1.924 57.795 56.100 -0.381 0.000 0.943 391 R CB 0.024 30.083 30.300 -0.403 0.000 0.850 391 R HN 0.044 nan 8.270 nan 0.000 0.433 392 K N 0.272 120.293 120.400 -0.631 0.000 1.985 392 K HA -0.151 4.169 4.320 0.000 0.000 0.210 392 K C 1.951 178.443 176.600 -0.181 0.000 1.047 392 K CA 1.449 57.475 56.287 -0.435 0.000 0.932 392 K CB -0.630 31.552 32.500 -0.530 0.000 0.716 392 K HN 0.113 nan 8.250 nan 0.000 0.439 393 L N 0.406 121.540 121.223 -0.147 0.000 1.997 393 L HA -0.200 4.140 4.340 0.000 0.000 0.216 393 L C 2.009 178.928 176.870 0.083 0.000 1.074 393 L CA 1.831 56.651 54.840 -0.034 0.000 0.763 393 L CB -0.883 41.161 42.059 -0.024 0.000 0.890 393 L HN 0.288 nan 8.230 nan 0.000 0.434 394 F N 0.616 120.594 119.950 0.047 0.000 2.043 394 F HA -0.275 4.252 4.527 0.000 0.000 0.297 394 F C 2.319 178.190 175.800 0.117 0.000 1.121 394 F CA 2.252 60.355 58.000 0.171 0.000 1.199 394 F CB -0.499 38.679 39.000 0.296 0.000 0.968 394 F HN 0.284 nan 8.300 nan 0.000 0.478 395 E N 0.196 120.453 120.200 0.096 0.000 2.045 395 E HA -0.326 4.024 4.350 0.000 0.000 0.212 395 E C 2.088 178.634 176.600 -0.090 0.000 1.039 395 E CA 2.239 58.623 56.400 -0.026 0.000 0.860 395 E CB -0.556 29.142 29.700 -0.004 0.000 0.776 395 E HN 0.611 nan 8.360 nan 0.000 0.467 396 E N 0.377 120.539 120.200 -0.063 0.000 2.097 396 E HA -0.231 4.119 4.350 0.000 0.000 0.196 396 E C 2.151 178.712 176.600 -0.065 0.000 1.000 396 E CA 0.849 57.212 56.400 -0.061 0.000 0.804 396 E CB -0.129 29.534 29.700 -0.063 0.000 0.740 396 E HN 0.107 nan 8.360 nan 0.000 0.454 397 L N 0.831 122.009 121.223 -0.073 0.000 2.042 397 L HA -0.158 4.183 4.340 0.000 0.000 0.210 397 L C 2.394 179.237 176.870 -0.046 0.000 1.076 397 L CA 1.898 56.692 54.840 -0.077 0.000 0.749 397 L CB -1.345 40.673 42.059 -0.069 0.000 0.893 397 L HN 0.096 nan 8.230 nan 0.000 0.432 398 A N -0.856 121.888 122.820 -0.127 0.000 1.902 398 A HA -0.213 4.107 4.320 0.000 0.000 0.217 398 A C 2.450 179.989 177.584 -0.074 0.000 1.181 398 A CA 1.438 53.391 52.037 -0.139 0.000 0.623 398 A CB -0.411 18.376 19.000 -0.354 0.000 0.818 398 A HN 0.356 nan 8.150 nan 0.000 0.443 399 R N 0.059 120.521 120.500 -0.064 0.000 2.080 399 R HA -0.140 4.201 4.340 0.000 0.000 0.236 399 R C 2.609 178.913 176.300 0.008 0.000 1.137 399 R CA 1.786 57.870 56.100 -0.027 0.000 0.943 399 R CB -0.634 29.654 30.300 -0.021 0.000 0.846 399 R HN 0.705 nan 8.270 nan 0.000 0.431 400 S N 0.418 116.122 115.700 0.007 0.000 2.461 400 S HA -0.152 4.318 4.470 0.000 0.000 0.246 400 S C 1.569 176.229 174.600 0.100 0.000 1.007 400 S CA 1.721 59.947 58.200 0.044 0.000 0.976 400 S CB -0.183 63.024 63.200 0.010 0.000 0.763 400 S HN 0.408 nan 8.310 nan 0.000 0.508 401 S N -0.057 115.650 115.700 0.011 0.000 2.733 401 S HA 0.228 4.698 4.470 0.000 0.000 0.247 401 S C 1.558 175.946 174.600 -0.353 0.000 1.043 401 S CA 0.331 58.431 58.200 -0.166 0.000 1.066 401 S CB -0.027 63.122 63.200 -0.085 0.000 1.045 401 S HN 0.664 nan 8.310 nan 0.000 0.586 402 S N 3.527 119.154 115.700 -0.122 0.000 2.399 402 S HA -0.377 4.093 4.470 0.000 0.000 0.235 402 S C 1.770 176.297 174.600 -0.121 0.000 1.063 402 S CA 2.091 60.237 58.200 -0.089 0.000 1.070 402 S CB -1.576 61.622 63.200 -0.004 0.000 0.904 402 S HN 0.990 nan 8.310 nan 0.000 0.456 403 H N 0.939 120.003 119.070 -0.010 0.000 2.543 403 H HA 0.352 4.908 4.556 0.000 0.000 0.286 403 H C 0.895 176.217 175.328 -0.010 0.000 1.037 403 H CA 0.769 56.810 56.048 -0.011 0.000 1.250 403 H CB -0.554 29.201 29.762 -0.011 0.000 1.373 403 H HN 0.450 nan 8.280 nan 0.000 0.580 404 S N 0.305 115.731 115.700 -0.456 0.000 2.475 404 S HA 0.328 4.798 4.470 0.000 0.000 0.298 404 S C 0.628 175.140 174.600 -0.147 0.000 1.119 404 S CA -0.258 57.795 58.200 -0.245 0.000 1.085 404 S CB 1.149 64.184 63.200 -0.274 0.000 1.028 404 S HN 0.528 nan 8.310 nan 0.000 0.489 405 T N 0.657 115.158 114.554 -0.089 0.000 3.293 405 T HA 0.263 4.613 4.350 0.000 0.000 0.276 405 T C -0.187 174.465 174.700 -0.081 0.000 1.003 405 T CA -0.575 61.481 62.100 -0.073 0.000 0.916 405 T CB -0.435 68.404 68.868 -0.049 0.000 1.134 405 T HN 0.591 nan 8.240 nan 0.000 0.530 406 D N 1.096 121.440 120.400 -0.093 0.000 2.458 406 D HA 0.138 4.778 4.640 0.000 0.000 0.243 406 D C 1.184 177.389 176.300 -0.158 0.000 1.146 406 D CA -0.537 53.389 54.000 -0.124 0.000 0.877 406 D CB 0.575 41.312 40.800 -0.105 0.000 1.176 406 D HN -0.082 nan 8.370 nan 0.000 0.461 407 L N 3.829 124.895 121.223 -0.262 0.000 1.989 407 L HA -0.137 4.203 4.340 0.000 0.000 0.211 407 L C 2.184 178.866 176.870 -0.313 0.000 1.071 407 L CA 1.585 56.230 54.840 -0.325 0.000 0.749 407 L CB -1.067 40.659 42.059 -0.554 0.000 0.890 407 L HN 0.678 nan 8.230 nan 0.000 0.431 408 M N -0.520 118.786 119.600 -0.491 0.000 2.149 408 M HA -0.186 4.294 4.480 0.000 0.000 0.261 408 M C 2.122 178.417 176.300 -0.008 0.000 1.064 408 M CA 1.580 56.785 55.300 -0.158 0.000 1.102 408 M CB -0.405 32.123 32.600 -0.119 0.000 1.369 408 M HN 0.274 nan 8.290 nan 0.000 0.408 409 E N -0.352 119.828 120.200 -0.033 0.000 2.085 409 E HA -0.200 4.150 4.350 0.000 0.000 0.194 409 E C 2.015 178.574 176.600 -0.069 0.000 0.994 409 E CA 1.324 57.733 56.400 0.015 0.000 0.801 409 E CB -0.374 29.335 29.700 0.014 0.000 0.743 409 E HN 0.664 nan 8.360 nan 0.000 0.453 410 A N 1.516 124.299 122.820 -0.062 0.000 1.865 410 A HA -0.222 4.099 4.320 0.000 0.000 0.217 410 A C 2.183 179.758 177.584 -0.016 0.000 1.191 410 A CA 1.531 53.537 52.037 -0.053 0.000 0.623 410 A CB -0.385 18.598 19.000 -0.028 0.000 0.826 410 A HN 0.114 nan 8.150 nan 0.000 0.444 411 M N -0.320 119.310 119.600 0.050 0.000 2.065 411 M HA -0.170 4.310 4.480 0.000 0.000 0.259 411 M C 2.578 178.904 176.300 0.043 0.000 1.069 411 M CA 1.778 57.131 55.300 0.088 0.000 1.110 411 M CB -1.803 30.921 32.600 0.206 0.000 1.328 411 M HN 0.490 nan 8.290 nan 0.000 0.405 412 A N 0.569 123.418 122.820 0.050 0.000 1.903 412 A HA -0.230 4.090 4.320 0.000 0.000 0.219 412 A C 2.238 179.805 177.584 -0.029 0.000 1.191 412 A CA 2.380 54.450 52.037 0.056 0.000 0.638 412 A CB -0.718 18.379 19.000 0.162 0.000 0.823 412 A HN 0.597 nan 8.150 nan 0.000 0.451 413 M N -0.836 118.657 119.600 -0.178 0.000 2.175 413 M HA -0.030 4.450 4.480 0.000 0.000 0.264 413 M C 2.333 178.623 176.300 -0.016 0.000 1.063 413 M CA 1.374 56.597 55.300 -0.128 0.000 1.119 413 M CB -0.827 31.619 32.600 -0.256 0.000 1.377 413 M HN 0.448 nan 8.290 nan 0.000 0.415 414 G N 0.635 109.413 108.800 -0.037 0.000 2.422 414 G HA2 -0.183 3.777 3.960 0.000 0.000 0.218 414 G HA3 -0.183 3.777 3.960 0.000 0.000 0.218 414 G C 1.617 176.472 174.900 -0.075 0.000 1.146 414 G CA 1.237 46.315 45.100 -0.037 0.000 0.769 414 G HN 0.517 nan 8.290 nan 0.000 0.547 415 S N 0.415 116.075 115.700 -0.068 0.000 2.355 415 S HA -0.084 4.386 4.470 0.000 0.000 0.222 415 S C 2.397 176.891 174.600 -0.176 0.000 1.031 415 S CA 1.045 59.193 58.200 -0.087 0.000 0.993 415 S CB -0.476 62.699 63.200 -0.042 0.000 0.859 415 S HN 0.151 nan 8.310 nan 0.000 0.453 416 V N 2.324 122.107 119.914 -0.218 0.000 2.252 416 V HA -0.244 3.876 4.120 0.000 0.000 0.249 416 V C 2.716 178.339 176.094 -0.786 0.000 1.056 416 V CA 2.355 64.381 62.300 -0.457 0.000 1.022 416 V CB -0.809 30.828 31.823 -0.311 0.000 0.641 416 V HN 0.490 nan 8.190 nan 0.000 0.445 417 E N 0.317 120.136 120.200 -0.635 0.000 2.118 417 E HA -0.199 4.151 4.350 0.000 0.000 0.195 417 E C 2.096 178.537 176.600 -0.265 0.000 0.992 417 E CA 1.551 57.657 56.400 -0.490 0.000 0.804 417 E CB -0.416 29.110 29.700 -0.289 0.000 0.741 417 E HN 0.553 nan 8.360 nan 0.000 0.458 418 A N 0.273 122.968 122.820 -0.208 0.000 1.933 418 A HA -0.190 4.130 4.320 0.000 0.000 0.218 418 A C 2.371 179.873 177.584 -0.136 0.000 1.175 418 A CA 1.967 53.927 52.037 -0.128 0.000 0.628 418 A CB -1.025 17.919 19.000 -0.093 0.000 0.814 418 A HN 0.411 nan 8.150 nan 0.000 0.444 419 S N -1.419 114.150 115.700 -0.219 0.000 2.419 419 S HA -0.177 4.293 4.470 0.000 0.000 0.233 419 S C 1.834 176.349 174.600 -0.142 0.000 1.016 419 S CA 1.580 59.658 58.200 -0.203 0.000 0.974 419 S CB -0.618 62.425 63.200 -0.262 0.000 0.786 419 S HN 0.545 nan 8.310 nan 0.000 0.492 420 Y N 1.462 121.681 120.300 -0.135 0.000 2.314 420 Y HA 0.318 4.868 4.550 0.000 0.000 0.294 420 Y C 2.484 178.330 175.900 -0.089 0.000 1.119 420 Y CA 0.592 58.614 58.100 -0.129 0.000 1.179 420 Y CB -0.931 37.427 38.460 -0.169 0.000 1.025 420 Y HN 0.209 nan 8.280 nan 0.000 0.541 421 K N 1.217 121.655 120.400 0.063 0.000 1.978 421 K HA -0.165 4.155 4.320 0.000 0.000 0.214 421 K C 1.982 178.592 176.600 0.016 0.000 1.049 421 K CA 2.225 58.529 56.287 0.028 0.000 0.939 421 K CB -1.096 31.404 32.500 -0.001 0.000 0.721 421 K HN 0.439 nan 8.250 nan 0.000 0.441 422 C N -0.050 119.248 119.300 -0.003 0.000 2.613 422 C HA 0.429 4.889 4.460 0.000 0.000 0.273 422 C C 0.368 175.358 174.990 -0.000 0.000 1.304 422 C CA -0.738 58.277 59.018 -0.005 0.000 1.702 422 C CB -1.245 26.485 27.740 -0.017 0.000 1.792 422 C HN 0.469 nan 8.230 nan 0.000 0.588 423 L N 0.729 121.958 121.223 0.010 0.000 3.597 423 L HA -0.146 4.194 4.340 0.000 0.000 0.440 423 L C 1.047 177.918 176.870 0.002 0.000 1.277 423 L CA 0.435 55.284 54.840 0.015 0.000 0.852 423 L CB -2.414 39.657 42.059 0.020 0.000 1.708 423 L HN 0.766 nan 8.230 nan 0.000 0.885 424 A N -0.160 122.649 122.820 -0.018 0.000 2.536 424 A HA 0.505 4.825 4.320 0.000 0.000 0.234 424 A C 1.500 179.081 177.584 -0.005 0.000 1.076 424 A CA 0.704 52.723 52.037 -0.030 0.000 0.769 424 A CB 0.296 19.263 19.000 -0.056 0.000 1.020 424 A HN 1.203 nan 8.150 nan 0.000 0.508 425 A N 0.602 123.425 122.820 0.005 0.000 2.147 425 A HA 0.577 4.897 4.320 0.000 0.000 0.211 425 A C 0.929 178.593 177.584 0.134 0.000 1.160 425 A CA 1.406 53.496 52.037 0.088 0.000 0.781 425 A CB -0.406 18.693 19.000 0.165 0.000 0.842 425 A HN 2.520 nan 8.150 nan 0.000 0.475 426 A N -1.670 121.181 122.820 0.051 0.000 2.549 426 A HA 0.571 4.891 4.320 0.000 0.000 0.291 426 A C -1.958 175.628 177.584 0.003 0.000 1.034 426 A CA -0.566 51.514 52.037 0.072 0.000 0.655 426 A CB 0.090 19.237 19.000 0.244 0.000 1.299 426 A HN 0.325 nan 8.150 nan 0.000 0.427 427 L N 1.098 122.334 121.223 0.022 0.000 2.325 427 L HA 0.640 4.980 4.340 0.000 0.000 0.281 427 L C -0.786 176.104 176.870 0.034 0.000 1.004 427 L CA -0.097 54.746 54.840 0.006 0.000 0.823 427 L CB 1.577 43.638 42.059 0.003 0.000 1.236 427 L HN 0.602 nan 8.230 nan 0.000 0.415 428 I N 3.834 124.414 120.570 0.016 0.000 2.359 428 I HA 0.509 4.679 4.170 0.000 0.000 0.294 428 I C -0.652 175.478 176.117 0.022 0.000 0.987 428 I CA -0.622 60.697 61.300 0.031 0.000 1.225 428 I CB 1.714 39.722 38.000 0.012 0.000 1.366 428 I HN 0.174 nan 8.210 nan 0.000 0.466 429 V N 6.838 126.771 119.914 0.032 0.000 2.577 429 V HA 0.384 4.504 4.120 0.000 0.000 0.303 429 V C -0.571 175.531 176.094 0.012 0.000 1.042 429 V CA -0.708 61.605 62.300 0.022 0.000 0.872 429 V CB 1.720 33.559 31.823 0.027 0.000 0.998 429 V HN 0.316 nan 8.190 nan 0.000 0.423 430 L N 3.927 125.152 121.223 0.004 0.000 2.255 430 L HA 0.702 5.042 4.340 0.000 0.000 0.289 430 L C 0.339 177.216 176.870 0.011 0.000 1.046 430 L CA 0.724 55.562 54.840 -0.004 0.000 0.816 430 L CB 1.151 43.192 42.059 -0.030 0.000 1.197 430 L HN 0.867 nan 8.230 nan 0.000 0.427 431 T N 1.632 116.184 114.554 -0.003 0.000 2.909 431 T HA 0.492 4.842 4.350 0.000 0.000 0.299 431 T C 0.360 175.050 174.700 -0.017 0.000 1.073 431 T CA -0.399 61.691 62.100 -0.016 0.000 0.999 431 T CB 1.248 70.076 68.868 -0.068 0.000 1.098 431 T HN 0.645 nan 8.240 nan 0.000 0.477 432 E N 1.546 121.740 120.200 -0.010 0.000 2.453 432 E HA 0.111 4.461 4.350 0.000 0.000 0.211 432 E C 1.615 178.206 176.600 -0.016 0.000 0.897 432 E CA 0.400 56.799 56.400 -0.002 0.000 1.063 432 E CB 0.633 30.348 29.700 0.025 0.000 1.080 432 E HN 0.647 nan 8.360 nan 0.000 0.512 433 S N -0.531 115.143 115.700 -0.043 0.000 2.483 433 S HA 0.300 4.770 4.470 0.000 0.000 0.221 433 S C 1.764 176.256 174.600 -0.180 0.000 1.030 433 S CA 0.539 58.702 58.200 -0.061 0.000 0.925 433 S CB 0.796 63.970 63.200 -0.043 0.000 0.795 433 S HN 0.299 nan 8.310 nan 0.000 0.511 434 G N 2.002 110.629 108.800 -0.288 0.000 2.241 434 G HA2 -0.352 3.608 3.960 0.000 0.000 0.244 434 G HA3 -0.352 3.608 3.960 0.000 0.000 0.244 434 G C 1.028 175.258 174.900 -1.117 0.000 0.998 434 G CA 0.399 45.103 45.100 -0.660 0.000 0.621 434 G HN 0.458 nan 8.290 nan 0.000 0.519 435 R N 1.452 121.596 120.500 -0.594 0.000 2.094 435 R HA -0.028 4.312 4.340 0.000 0.000 0.239 435 R C 2.982 179.177 176.300 -0.175 0.000 1.137 435 R CA 2.345 58.255 56.100 -0.316 0.000 0.943 435 R CB -0.618 29.641 30.300 -0.067 0.000 0.850 435 R HN 0.529 nan 8.270 nan 0.000 0.433 436 S N 0.994 116.631 115.700 -0.104 0.000 2.365 436 S HA -0.241 4.229 4.470 0.000 0.000 0.225 436 S C 2.217 176.804 174.600 -0.020 0.000 1.039 436 S CA 1.333 59.535 58.200 0.003 0.000 1.033 436 S CB -0.567 62.664 63.200 0.050 0.000 0.887 436 S HN 0.505 nan 8.310 nan 0.000 0.447 437 A N 2.353 125.105 122.820 -0.114 0.000 1.898 437 A HA -0.148 4.172 4.320 0.000 0.000 0.216 437 A C 1.982 179.561 177.584 -0.009 0.000 1.181 437 A CA 1.577 53.575 52.037 -0.065 0.000 0.620 437 A CB -0.939 17.999 19.000 -0.103 0.000 0.819 437 A HN 0.527 nan 8.150 nan 0.000 0.442 438 H N -0.719 118.237 119.070 -0.190 0.000 2.267 438 H HA -0.169 4.387 4.556 0.000 0.000 0.297 438 H C 2.143 177.457 175.328 -0.022 0.000 1.080 438 H CA 1.993 57.867 56.048 -0.290 0.000 1.278 438 H CB -0.820 28.693 29.762 -0.416 0.000 1.365 438 H HN 0.525 nan 8.280 nan 0.000 0.489 439 Q N 0.443 120.338 119.800 0.160 0.000 2.217 439 Q HA -0.104 4.236 4.340 0.000 0.000 0.209 439 Q C 2.400 178.549 176.000 0.247 0.000 0.988 439 Q CA 1.148 57.062 55.803 0.185 0.000 0.878 439 Q CB -0.278 28.555 28.738 0.158 0.000 0.909 439 Q HN 0.254 nan 8.270 nan 0.000 0.424 440 V N -0.452 119.580 119.914 0.196 0.000 2.488 440 V HA -0.160 3.960 4.120 0.000 0.000 0.246 440 V C 2.077 178.309 176.094 0.231 0.000 1.046 440 V CA 1.365 63.796 62.300 0.218 0.000 1.053 440 V CB -0.904 31.001 31.823 0.136 0.000 0.679 440 V HN 0.465 nan 8.190 nan 0.000 0.458 441 A N 1.034 123.970 122.820 0.193 0.000 1.940 441 A HA -0.290 4.030 4.320 0.000 0.000 0.219 441 A C 2.366 180.061 177.584 0.184 0.000 1.176 441 A CA 2.216 54.373 52.037 0.201 0.000 0.631 441 A CB -0.645 18.502 19.000 0.246 0.000 0.814 441 A HN 0.606 nan 8.150 nan 0.000 0.446 442 R N -2.088 118.501 120.500 0.148 0.000 2.241 442 R HA -0.135 4.205 4.340 0.000 0.000 0.224 442 R C 0.762 176.950 176.300 -0.187 0.000 1.101 442 R CA 1.598 57.688 56.100 -0.016 0.000 0.995 442 R CB -0.381 29.873 30.300 -0.076 0.000 0.870 442 R HN 0.526 nan 8.270 nan 0.000 0.463 443 Y N 0.920 121.316 120.300 0.160 0.000 2.468 443 Y HA 0.290 4.840 4.550 0.000 0.000 0.268 443 Y C -0.057 176.031 175.900 0.314 0.000 1.177 443 Y CA -0.427 57.809 58.100 0.228 0.000 1.265 443 Y CB 0.522 39.160 38.460 0.296 0.000 1.103 443 Y HN -0.072 nan 8.280 nan 0.000 0.522 444 R N -0.553 120.137 120.500 0.316 0.000 3.079 444 R HA -0.148 4.192 4.340 0.000 0.000 0.254 444 R C -3.059 173.473 176.300 0.387 0.000 0.900 444 R CA -0.128 56.165 56.100 0.322 0.000 0.641 444 R CB -2.302 28.183 30.300 0.308 0.000 1.307 444 R HN 0.260 nan 8.270 nan 0.000 0.477 445 P HA 0.132 nan 4.420 nan 0.000 0.274 445 P C 0.699 178.131 177.300 0.221 0.000 1.237 445 P CA -0.404 62.755 63.100 0.098 0.000 0.793 445 P CB 0.642 32.344 31.700 0.004 0.000 0.977 446 R N 1.458 122.061 120.500 0.172 0.000 2.193 446 R HA 0.152 4.492 4.340 0.000 0.000 0.213 446 R C 0.678 177.002 176.300 0.039 0.000 1.055 446 R CA 0.552 56.659 56.100 0.011 0.000 0.995 446 R CB -0.250 29.861 30.300 -0.314 0.000 0.893 446 R HN 0.562 nan 8.270 nan 0.000 0.459 447 A N 1.482 124.316 122.820 0.023 0.000 2.252 447 A HA 0.557 4.877 4.320 0.000 0.000 0.305 447 A C -2.423 175.169 177.584 0.014 0.000 1.097 447 A CA -1.859 50.180 52.037 0.003 0.000 0.849 447 A CB 0.382 19.378 19.000 -0.007 0.000 1.142 447 A HN 0.189 nan 8.150 nan 0.000 0.499 448 P HA 0.471 nan 4.420 nan 0.000 0.282 448 P C -1.076 176.253 177.300 0.048 0.000 1.249 448 P CA -0.029 63.062 63.100 -0.015 0.000 0.806 448 P CB 0.663 32.253 31.700 -0.183 0.000 0.984 449 I N 2.927 123.558 120.570 0.102 0.000 2.330 449 I HA 0.291 4.461 4.170 0.000 0.000 0.286 449 I C 0.383 176.600 176.117 0.166 0.000 1.025 449 I CA -0.399 60.971 61.300 0.117 0.000 1.197 449 I CB 0.520 38.590 38.000 0.117 0.000 1.358 449 I HN 0.066 nan 8.210 nan 0.000 0.467 450 I N 5.929 126.592 120.570 0.155 0.000 2.337 450 I HA 0.413 4.583 4.170 0.000 0.000 0.291 450 I C 0.480 176.682 176.117 0.142 0.000 1.046 450 I CA -0.241 61.176 61.300 0.195 0.000 1.324 450 I CB 1.085 39.198 38.000 0.188 0.000 1.409 450 I HN 0.569 nan 8.210 nan 0.000 0.494 451 A N 7.282 130.192 122.820 0.149 0.000 2.273 451 A HA 0.611 4.931 4.320 0.000 0.000 0.315 451 A C -0.484 177.144 177.584 0.073 0.000 1.256 451 A CA -0.458 51.628 52.037 0.081 0.000 0.851 451 A CB 0.972 19.998 19.000 0.042 0.000 1.172 451 A HN 0.474 nan 8.150 nan 0.000 0.508 452 V N 3.011 122.952 119.914 0.045 0.000 2.333 452 V HA 0.588 4.708 4.120 0.000 0.000 0.274 452 V C 0.523 176.617 176.094 -0.001 0.000 1.028 452 V CA -0.029 62.288 62.300 0.029 0.000 0.851 452 V CB 0.945 32.779 31.823 0.018 0.000 1.000 452 V HN 0.966 nan 8.190 nan 0.000 0.456 453 T N 4.289 118.836 114.554 -0.011 0.000 2.916 453 T HA 0.477 4.827 4.350 0.000 0.000 0.292 453 T C 0.432 175.095 174.700 -0.062 0.000 1.055 453 T CA -0.673 61.409 62.100 -0.030 0.000 1.009 453 T CB 1.897 70.746 68.868 -0.031 0.000 1.118 453 T HN 0.591 nan 8.240 nan 0.000 0.497 454 R N 1.577 122.045 120.500 -0.053 0.000 2.432 454 R HA 0.257 4.597 4.340 0.000 0.000 0.260 454 R C 0.042 176.304 176.300 -0.064 0.000 0.935 454 R CA -0.236 55.822 56.100 -0.071 0.000 1.080 454 R CB 0.220 30.509 30.300 -0.018 0.000 1.155 454 R HN 0.456 nan 8.270 nan 0.000 0.531 455 N N 0.384 119.054 118.700 -0.049 0.000 2.417 455 N HA 0.066 4.806 4.740 0.000 0.000 0.274 455 N C 0.513 176.026 175.510 0.004 0.000 0.987 455 N CA -0.146 52.918 53.050 0.023 0.000 0.912 455 N CB 0.794 39.305 38.487 0.041 0.000 1.177 455 N HN 0.117 nan 8.380 nan 0.000 0.490 456 H N 2.065 121.167 119.070 0.053 0.000 2.299 456 H HA -0.120 4.436 4.556 0.000 0.000 0.302 456 H C 1.112 176.483 175.328 0.072 0.000 1.078 456 H CA 1.341 57.434 56.048 0.074 0.000 1.323 456 H CB 0.337 30.145 29.762 0.076 0.000 1.381 456 H HN 0.667 nan 8.280 nan 0.000 0.498 457 Q N 0.651 120.566 119.800 0.191 0.000 2.045 457 Q HA -0.158 4.183 4.340 0.000 0.000 0.206 457 Q C 2.167 178.231 176.000 0.107 0.000 0.991 457 Q CA 2.434 58.314 55.803 0.128 0.000 0.851 457 Q CB 0.044 28.841 28.738 0.099 0.000 0.911 457 Q HN 0.318 nan 8.270 nan 0.000 0.418 458 T N 0.482 115.088 114.554 0.086 0.000 2.699 458 T HA -0.222 4.128 4.350 0.000 0.000 0.268 458 T C 1.705 176.432 174.700 0.045 0.000 1.036 458 T CA 1.352 63.490 62.100 0.064 0.000 1.147 458 T CB -0.431 68.453 68.868 0.027 0.000 0.862 458 T HN 0.496 nan 8.240 nan 0.000 0.446 459 A N 1.578 124.417 122.820 0.032 0.000 1.930 459 A HA -0.095 4.225 4.320 0.000 0.000 0.217 459 A C 2.385 179.948 177.584 -0.035 0.000 1.175 459 A CA 1.286 53.316 52.037 -0.011 0.000 0.627 459 A CB -0.405 18.601 19.000 0.009 0.000 0.815 459 A HN 0.446 nan 8.150 nan 0.000 0.443 460 R N -0.636 119.904 120.500 0.067 0.000 2.061 460 R HA -0.113 4.227 4.340 0.000 0.000 0.230 460 R C 2.395 178.775 176.300 0.133 0.000 1.140 460 R CA 1.572 57.750 56.100 0.130 0.000 0.940 460 R CB -0.473 29.919 30.300 0.154 0.000 0.839 460 R HN 0.628 nan 8.270 nan 0.000 0.429 461 Q N 0.295 120.173 119.800 0.130 0.000 2.297 461 Q HA -0.121 4.220 4.340 0.000 0.000 0.208 461 Q C 2.032 178.153 176.000 0.201 0.000 0.981 461 Q CA 1.264 57.170 55.803 0.172 0.000 0.876 461 Q CB -0.122 28.722 28.738 0.176 0.000 0.921 461 Q HN 0.384 nan 8.270 nan 0.000 0.446 462 A N 0.125 123.003 122.820 0.097 0.000 2.070 462 A HA -0.201 4.119 4.320 0.000 0.000 0.220 462 A C 1.248 178.895 177.584 0.104 0.000 1.159 462 A CA 1.272 53.366 52.037 0.096 0.000 0.656 462 A CB -0.643 18.334 19.000 -0.038 0.000 0.800 462 A HN 0.439 nan 8.150 nan 0.000 0.453 463 H N -1.157 118.009 119.070 0.160 0.000 2.543 463 H HA -0.041 4.515 4.556 0.000 0.000 0.286 463 H C 1.603 177.004 175.328 0.122 0.000 1.037 463 H CA 0.461 56.577 56.048 0.113 0.000 1.250 463 H CB 0.094 29.894 29.762 0.062 0.000 1.373 463 H HN 0.284 nan 8.280 nan 0.000 0.580 464 L N 0.123 121.498 121.223 0.254 0.000 2.131 464 L HA -0.143 4.197 4.340 0.000 0.000 0.210 464 L C 0.123 176.924 176.870 -0.115 0.000 1.092 464 L CA 1.326 56.193 54.840 0.045 0.000 0.759 464 L CB -0.756 41.264 42.059 -0.065 0.000 0.903 464 L HN 0.228 nan 8.230 nan 0.000 0.435 465 Y N -0.798 119.511 120.300 0.014 0.000 2.374 465 Y HA 0.415 4.965 4.550 0.000 0.000 0.322 465 Y C 0.949 176.887 175.900 0.063 0.000 1.275 465 Y CA -1.087 57.023 58.100 0.017 0.000 1.307 465 Y CB 0.272 38.737 38.460 0.008 0.000 1.282 465 Y HN -0.119 nan 8.280 nan 0.000 0.509 466 R N 0.544 121.172 120.500 0.213 0.000 2.204 466 R HA 0.492 4.832 4.340 0.000 0.000 0.341 466 R C 0.595 177.000 176.300 0.176 0.000 1.035 466 R CA 0.784 56.980 56.100 0.160 0.000 0.887 466 R CB -0.316 30.046 30.300 0.104 0.000 1.114 466 R HN 0.953 nan 8.270 nan 0.000 0.473 467 G N 4.331 113.233 108.800 0.171 0.000 2.391 467 G HA2 -0.218 3.742 3.960 0.000 0.000 0.204 467 G HA3 -0.218 3.742 3.960 0.000 0.000 0.204 467 G C 0.179 175.186 174.900 0.179 0.000 1.012 467 G CA -0.204 44.991 45.100 0.158 0.000 0.651 467 G HN 0.521 nan 8.290 nan 0.000 0.494 468 I N 1.616 122.300 120.570 0.191 0.000 2.598 468 I HA 0.330 4.500 4.170 0.000 0.000 0.284 468 I C -0.107 176.133 176.117 0.205 0.000 1.140 468 I CA 0.123 61.532 61.300 0.181 0.000 1.420 468 I CB 0.375 38.459 38.000 0.140 0.000 1.387 468 I HN 0.128 nan 8.210 nan 0.000 0.553 469 F N 10.129 130.128 119.950 0.082 0.000 2.359 469 F HA 0.478 5.005 4.527 0.000 0.000 0.369 469 F C -2.323 173.514 175.800 0.062 0.000 1.084 469 F CA -2.926 55.141 58.000 0.112 0.000 1.096 469 F CB 0.906 40.009 39.000 0.171 0.000 1.335 469 F HN 0.226 nan 8.300 nan 0.000 0.457 470 P HA 0.225 nan 4.420 nan 0.000 0.281 470 P C -1.114 176.230 177.300 0.073 0.000 1.252 470 P CA -0.070 63.006 63.100 -0.040 0.000 0.778 470 P CB 1.733 33.291 31.700 -0.238 0.000 0.895 471 V N 4.409 124.406 119.914 0.139 0.000 2.531 471 V HA 0.250 4.370 4.120 0.000 0.000 0.301 471 V C 0.148 176.300 176.094 0.096 0.000 1.034 471 V CA -0.806 61.598 62.300 0.172 0.000 0.865 471 V CB 2.260 34.200 31.823 0.196 0.000 0.995 471 V HN 0.246 nan 8.190 nan 0.000 0.424 472 V N 3.085 123.069 119.914 0.116 0.000 2.509 472 V HA 0.367 4.487 4.120 0.000 0.000 0.284 472 V C 0.209 176.298 176.094 -0.008 0.000 1.047 472 V CA -0.538 61.768 62.300 0.010 0.000 0.952 472 V CB 1.497 33.271 31.823 -0.081 0.000 0.988 472 V HN 1.004 nan 8.190 nan 0.000 0.469 473 C N 5.464 124.728 119.300 -0.061 0.000 2.251 473 C HA 0.451 4.911 4.460 0.000 0.000 0.323 473 C C 1.266 176.221 174.990 -0.058 0.000 1.241 473 C CA -0.537 58.457 59.018 -0.040 0.000 1.601 473 C CB -0.224 27.494 27.740 -0.036 0.000 2.251 473 C HN 1.049 nan 8.230 nan 0.000 0.488 474 K N 2.072 122.452 120.400 -0.034 0.000 2.356 474 K HA 0.084 4.404 4.320 0.000 0.000 0.195 474 K C 0.033 176.632 176.600 -0.002 0.000 1.037 474 K CA 0.305 56.585 56.287 -0.012 0.000 1.014 474 K CB 0.149 32.643 32.500 -0.011 0.000 0.815 474 K HN 0.745 nan 8.250 nan 0.000 0.507 475 D N 2.868 123.262 120.400 -0.011 0.000 2.443 475 D HA 0.017 4.657 4.640 0.000 0.000 0.239 475 D C -2.220 174.075 176.300 -0.007 0.000 1.136 475 D CA -0.993 53.001 54.000 -0.011 0.000 0.879 475 D CB 0.358 41.147 40.800 -0.018 0.000 1.195 475 D HN 0.018 nan 8.370 nan 0.000 0.443 476 P HA 0.021 nan 4.420 nan 0.000 0.273 476 P C -0.527 176.772 177.300 -0.002 0.000 1.250 476 P CA -0.515 62.587 63.100 0.003 0.000 0.793 476 P CB 0.473 32.176 31.700 0.004 0.000 1.011 477 V N 2.433 122.353 119.914 0.009 0.000 2.439 477 V HA 0.022 4.142 4.120 0.000 0.000 0.271 477 V C 1.038 177.139 176.094 0.012 0.000 1.040 477 V CA -0.088 62.221 62.300 0.014 0.000 1.002 477 V CB -0.304 31.542 31.823 0.039 0.000 1.000 477 V HN 0.438 nan 8.190 nan 0.000 0.477 478 Q N 3.719 123.516 119.800 -0.005 0.000 2.364 478 Q HA 0.059 4.399 4.340 0.000 0.000 0.267 478 Q C 1.235 177.247 176.000 0.020 0.000 0.999 478 Q CA -0.007 55.790 55.803 -0.009 0.000 0.886 478 Q CB 1.080 29.792 28.738 -0.043 0.000 1.243 478 Q HN 0.821 nan 8.270 nan 0.000 0.415 479 E N 1.190 121.400 120.200 0.017 0.000 2.077 479 E HA -0.090 4.260 4.350 0.000 0.000 0.193 479 E C 0.181 176.812 176.600 0.051 0.000 0.989 479 E CA 1.035 57.454 56.400 0.031 0.000 0.800 479 E CB -0.021 29.690 29.700 0.017 0.000 0.746 479 E HN 0.571 nan 8.360 nan 0.000 0.452 480 A N 1.748 124.587 122.820 0.032 0.000 2.309 480 A HA 0.032 4.352 4.320 0.000 0.000 0.290 480 A C 0.393 178.012 177.584 0.058 0.000 1.206 480 A CA -0.563 51.500 52.037 0.042 0.000 0.850 480 A CB -0.187 18.813 19.000 0.000 0.000 1.118 480 A HN 0.540 nan 8.150 nan 0.000 0.523 481 W N 3.318 124.565 121.300 -0.089 0.000 2.333 481 W HA -0.285 4.375 4.660 0.000 0.000 0.316 481 W C 1.736 178.176 176.519 -0.132 0.000 1.215 481 W CA 2.129 59.407 57.345 -0.113 0.000 1.278 481 W CB -0.249 29.125 29.460 -0.143 0.000 1.154 481 W HN 0.767 nan 8.180 nan 0.000 0.486 482 A N 0.473 123.201 122.820 -0.154 0.000 2.032 482 A HA -0.265 4.056 4.320 0.000 0.000 0.221 482 A C 1.805 179.226 177.584 -0.271 0.000 1.165 482 A CA 2.165 54.048 52.037 -0.257 0.000 0.645 482 A CB -0.751 18.172 19.000 -0.128 0.000 0.807 482 A HN 0.570 nan 8.150 nan 0.000 0.453 483 E N -1.145 118.928 120.200 -0.212 0.000 2.045 483 E HA -0.109 4.241 4.350 0.000 0.000 0.190 483 E C 1.765 178.228 176.600 -0.228 0.000 0.968 483 E CA 0.562 56.859 56.400 -0.173 0.000 0.813 483 E CB -0.175 29.465 29.700 -0.100 0.000 0.780 483 E HN 0.530 nan 8.360 nan 0.000 0.455 484 D N 0.457 120.703 120.400 -0.256 0.000 2.191 484 D HA -0.180 4.460 4.640 0.000 0.000 0.195 484 D C 1.760 177.824 176.300 -0.393 0.000 1.003 484 D CA 0.980 54.811 54.000 -0.282 0.000 0.867 484 D CB 0.045 40.677 40.800 -0.280 0.000 0.926 484 D HN -0.024 nan 8.370 nan 0.000 0.450 485 V N 0.208 119.775 119.914 -0.580 0.000 2.239 485 V HA -0.189 3.931 4.120 0.000 0.000 0.242 485 V C 2.020 177.928 176.094 -0.309 0.000 1.038 485 V CA 2.059 64.030 62.300 -0.548 0.000 1.002 485 V CB -0.691 30.710 31.823 -0.704 0.000 0.641 485 V HN 0.103 nan 8.190 nan 0.000 0.449 486 D N 0.104 120.345 120.400 -0.264 0.000 2.172 486 D HA -0.204 4.436 4.640 0.000 0.000 0.196 486 D C 1.821 178.042 176.300 -0.131 0.000 0.999 486 D CA 1.413 55.312 54.000 -0.169 0.000 0.856 486 D CB -0.349 40.369 40.800 -0.137 0.000 0.934 486 D HN 0.324 nan 8.370 nan 0.000 0.453 487 L N 1.118 122.257 121.223 -0.141 0.000 1.943 487 L HA -0.187 4.153 4.340 0.000 0.000 0.215 487 L C 1.962 178.780 176.870 -0.087 0.000 1.074 487 L CA 1.852 56.630 54.840 -0.102 0.000 0.759 487 L CB -0.773 41.222 42.059 -0.106 0.000 0.888 487 L HN -0.124 nan 8.230 nan 0.000 0.433 488 R N -0.752 119.682 120.500 -0.110 0.000 2.113 488 R HA -0.190 4.150 4.340 0.000 0.000 0.244 488 R C 2.148 178.414 176.300 -0.058 0.000 1.142 488 R CA 1.939 57.990 56.100 -0.081 0.000 0.953 488 R CB -0.938 29.300 30.300 -0.103 0.000 0.860 488 R HN 0.422 nan 8.270 nan 0.000 0.438 489 V N 1.715 121.580 119.914 -0.081 0.000 2.392 489 V HA -0.281 3.839 4.120 0.000 0.000 0.249 489 V C 1.969 178.045 176.094 -0.030 0.000 1.059 489 V CA 1.728 63.993 62.300 -0.057 0.000 1.051 489 V CB -0.560 31.214 31.823 -0.081 0.000 0.658 489 V HN 0.409 nan 8.190 nan 0.000 0.455 490 N N -0.213 118.466 118.700 -0.036 0.000 2.188 490 N HA -0.127 4.613 4.740 0.000 0.000 0.184 490 N C 1.810 177.328 175.510 0.013 0.000 1.018 490 N CA 1.265 54.307 53.050 -0.013 0.000 0.858 490 N CB -0.206 38.268 38.487 -0.022 0.000 0.989 490 N HN 0.348 nan 8.380 nan 0.000 0.426 491 L N 1.751 122.977 121.223 0.005 0.000 1.997 491 L HA -0.189 4.151 4.340 0.000 0.000 0.216 491 L C 2.243 179.144 176.870 0.050 0.000 1.074 491 L CA 1.878 56.731 54.840 0.022 0.000 0.763 491 L CB -1.058 41.008 42.059 0.012 0.000 0.890 491 L HN 0.104 nan 8.230 nan 0.000 0.434 492 A N -1.294 121.563 122.820 0.061 0.000 1.877 492 A HA -0.279 4.042 4.320 0.000 0.000 0.216 492 A C 2.337 180.033 177.584 0.187 0.000 1.186 492 A CA 2.221 54.325 52.037 0.111 0.000 0.620 492 A CB -0.650 18.412 19.000 0.103 0.000 0.822 492 A HN 0.517 nan 8.150 nan 0.000 0.443 493 M N 0.232 119.927 119.600 0.157 0.000 2.108 493 M HA -0.216 4.264 4.480 0.000 0.000 0.261 493 M C 1.724 178.166 176.300 0.237 0.000 1.066 493 M CA 2.176 57.619 55.300 0.239 0.000 1.107 493 M CB -0.564 32.089 32.600 0.088 0.000 1.356 493 M HN 0.626 nan 8.290 nan 0.000 0.406 494 N N -1.347 117.411 118.700 0.096 0.000 2.171 494 N HA -0.119 4.621 4.740 0.000 0.000 0.184 494 N C 1.545 177.024 175.510 -0.052 0.000 1.021 494 N CA 1.176 54.243 53.050 0.028 0.000 0.854 494 N CB -0.109 38.384 38.487 0.010 0.000 0.994 494 N HN 0.121 nan 8.380 nan 0.000 0.426 495 V N 1.048 120.935 119.914 -0.046 0.000 2.287 495 V HA -0.195 3.925 4.120 0.000 0.000 0.248 495 V C 2.413 178.271 176.094 -0.394 0.000 1.053 495 V CA 2.175 64.388 62.300 -0.146 0.000 1.027 495 V CB -1.101 30.689 31.823 -0.055 0.000 0.646 495 V HN 0.463 nan 8.190 nan 0.000 0.447 496 G N -0.964 107.585 108.800 -0.419 0.000 2.408 496 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 496 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 496 G C 1.660 175.867 174.900 -1.155 0.000 1.150 496 G CA 0.887 45.369 45.100 -1.029 0.000 0.776 496 G HN 0.441 nan 8.290 nan 0.000 0.542 497 K N 0.409 120.415 120.400 -0.656 0.000 2.026 497 K HA 0.056 4.376 4.320 0.000 0.000 0.208 497 K C 2.858 179.259 176.600 -0.332 0.000 1.048 497 K CA 1.294 57.370 56.287 -0.352 0.000 0.929 497 K CB -0.239 32.224 32.500 -0.061 0.000 0.713 497 K HN 0.245 nan 8.250 nan 0.000 0.439 498 A N 0.714 123.342 122.820 -0.321 0.000 1.929 498 A HA -0.096 4.224 4.320 0.000 0.000 0.216 498 A C 1.864 179.226 177.584 -0.369 0.000 1.176 498 A CA 1.117 52.992 52.037 -0.271 0.000 0.628 498 A CB -0.225 18.655 19.000 -0.199 0.000 0.816 498 A HN 0.108 nan 8.150 nan 0.000 0.444 499 R N -1.255 118.863 120.500 -0.637 0.000 2.236 499 R HA 0.044 4.384 4.340 0.000 0.000 0.208 499 R C 1.247 177.112 176.300 -0.725 0.000 1.036 499 R CA 0.875 56.477 56.100 -0.830 0.000 1.001 499 R CB -0.489 28.916 30.300 -1.493 0.000 0.896 499 R HN 0.889 nan 8.270 nan 0.000 0.464 500 G N 0.247 108.683 108.800 -0.608 0.000 2.131 500 G HA2 -0.212 3.748 3.960 0.000 0.000 0.201 500 G HA3 -0.212 3.748 3.960 0.000 0.000 0.201 500 G C 0.444 175.335 174.900 -0.015 0.000 1.000 500 G CA -0.170 44.782 45.100 -0.247 0.000 0.680 500 G HN 0.172 nan 8.290 nan 0.000 0.514 501 F N 0.091 119.798 119.950 -0.404 0.000 2.149 501 F HA 0.391 4.918 4.527 0.000 0.000 0.294 501 F C 1.479 177.164 175.800 -0.192 0.000 1.095 501 F CA 0.602 58.383 58.000 -0.366 0.000 1.276 501 F CB -0.684 37.991 39.000 -0.543 0.000 1.023 501 F HN 0.359 nan 8.300 nan 0.000 0.480 502 F N -2.137 117.905 119.950 0.153 0.000 2.664 502 F HA 0.679 5.206 4.527 0.000 0.000 0.317 502 F C -0.318 175.498 175.800 0.027 0.000 1.108 502 F CA -2.080 55.963 58.000 0.072 0.000 0.957 502 F CB 0.877 39.912 39.000 0.058 0.000 1.365 502 F HN -0.410 nan 8.300 nan 0.000 0.475 503 K N 0.139 120.743 120.400 0.340 0.000 2.512 503 K HA 0.357 4.677 4.320 0.000 0.000 0.272 503 K C 0.747 177.471 176.600 0.206 0.000 1.033 503 K CA -0.889 55.516 56.287 0.196 0.000 1.096 503 K CB 0.903 33.469 32.500 0.110 0.000 1.498 503 K HN 0.696 nan 8.250 nan 0.000 0.629 504 K N 0.356 120.821 120.400 0.107 0.000 2.242 504 K HA 0.004 4.324 4.320 0.000 0.000 0.200 504 K C 1.643 178.264 176.600 0.036 0.000 1.050 504 K CA 0.943 57.270 56.287 0.067 0.000 0.981 504 K CB 0.057 32.584 32.500 0.045 0.000 0.795 504 K HN 0.707 nan 8.250 nan 0.000 0.477 505 G N 1.352 110.176 108.800 0.040 0.000 2.421 505 G HA2 -0.138 3.822 3.960 0.000 0.000 0.217 505 G HA3 -0.138 3.822 3.960 0.000 0.000 0.217 505 G C 0.240 175.146 174.900 0.011 0.000 1.143 505 G CA 0.184 45.297 45.100 0.022 0.000 0.784 505 G HN 0.315 nan 8.290 nan 0.000 0.541 506 D N -0.039 120.379 120.400 0.029 0.000 2.429 506 D HA 0.222 4.862 4.640 0.000 0.000 0.233 506 D C 0.486 176.743 176.300 -0.072 0.000 1.202 506 D CA 0.280 54.285 54.000 0.009 0.000 0.879 506 D CB 1.364 42.219 40.800 0.092 0.000 1.212 506 D HN 0.015 nan 8.370 nan 0.000 0.465 507 V N 0.819 120.686 119.914 -0.077 0.000 2.919 507 V HA 0.720 4.840 4.120 0.000 0.000 0.316 507 V C 0.374 176.374 176.094 -0.157 0.000 1.077 507 V CA -0.737 61.497 62.300 -0.109 0.000 0.977 507 V CB 2.297 34.080 31.823 -0.066 0.000 1.039 507 V HN 0.307 nan 8.190 nan 0.000 0.441 508 V N 2.154 121.970 119.914 -0.163 0.000 3.178 508 V HA 0.528 4.648 4.120 0.000 0.000 0.302 508 V C -1.299 174.725 176.094 -0.116 0.000 1.262 508 V CA -0.433 61.763 62.300 -0.173 0.000 1.030 508 V CB 2.586 34.222 31.823 -0.311 0.000 1.074 508 V HN 0.732 nan 8.190 nan 0.000 0.438 509 I N 2.339 122.854 120.570 -0.092 0.000 2.404 509 I HA 0.609 4.779 4.170 0.000 0.000 0.293 509 I C -0.949 175.138 176.117 -0.051 0.000 0.992 509 I CA -0.719 60.542 61.300 -0.065 0.000 1.149 509 I CB 1.970 39.934 38.000 -0.061 0.000 1.315 509 I HN 0.261 nan 8.210 nan 0.000 0.446 510 V N 7.456 127.346 119.914 -0.039 0.000 2.444 510 V HA 0.427 4.548 4.120 0.000 0.000 0.294 510 V C -0.269 175.821 176.094 -0.006 0.000 1.022 510 V CA -0.563 61.720 62.300 -0.027 0.000 0.850 510 V CB 1.703 33.502 31.823 -0.040 0.000 0.992 510 V HN 0.472 nan 8.190 nan 0.000 0.426 511 L N 5.380 126.605 121.223 0.003 0.000 2.287 511 L HA 0.796 5.136 4.340 0.000 0.000 0.287 511 L C 0.334 177.216 176.870 0.019 0.000 1.022 511 L CA 0.096 54.948 54.840 0.020 0.000 0.814 511 L CB 1.953 44.031 42.059 0.032 0.000 1.217 511 L HN 0.935 nan 8.230 nan 0.000 0.420 512 T N 0.016 114.588 114.554 0.030 0.000 2.778 512 T HA 0.674 5.024 4.350 0.000 0.000 0.293 512 T C -0.283 174.456 174.700 0.066 0.000 1.144 512 T CA -0.599 61.525 62.100 0.039 0.000 1.010 512 T CB 1.825 70.699 68.868 0.011 0.000 1.325 512 T HN 0.527 nan 8.240 nan 0.000 0.515 513 G N -0.121 108.762 108.800 0.139 0.000 2.343 513 G HA2 0.406 4.366 3.960 0.000 0.000 0.319 513 G HA3 0.406 4.366 3.960 0.000 0.000 0.319 513 G C 0.494 175.531 174.900 0.228 0.000 1.126 513 G CA -0.821 44.356 45.100 0.128 0.000 0.889 513 G HN 0.794 nan 8.290 nan 0.000 0.457 514 W N 3.259 124.559 121.300 -0.000 0.000 2.321 514 W HA -0.038 4.622 4.660 0.000 0.000 0.306 514 W C 0.280 176.842 176.519 0.071 0.000 1.217 514 W CA 0.934 58.300 57.345 0.036 0.000 1.257 514 W CB 0.320 29.751 29.460 -0.049 0.000 1.145 514 W HN 0.317 nan 8.180 nan 0.000 0.509 515 R N -0.995 119.384 120.500 -0.203 0.000 2.836 515 R HA 0.300 4.640 4.340 0.000 0.000 0.269 515 R C -2.458 173.230 176.300 -1.019 0.000 1.010 515 R CA -1.996 53.699 56.100 -0.673 0.000 0.930 515 R CB 0.912 30.992 30.300 -0.367 0.000 1.218 515 R HN -0.291 nan 8.270 nan 0.000 0.473 516 P HA 0.030 nan 4.420 nan 0.000 0.268 516 P C 0.247 177.188 177.300 -0.598 0.000 1.205 516 P CA 0.433 62.664 63.100 -1.449 0.000 0.771 516 P CB 0.287 31.342 31.700 -1.076 0.000 0.858 517 G N 2.216 110.800 108.800 -0.361 0.000 2.350 517 G HA2 -0.281 3.679 3.960 0.000 0.000 0.298 517 G HA3 -0.281 3.679 3.960 0.000 0.000 0.298 517 G C 1.021 175.839 174.900 -0.138 0.000 1.037 517 G CA 0.342 45.339 45.100 -0.173 0.000 1.074 517 G HN 0.491 nan 8.290 nan 0.000 0.511 518 S N -1.114 114.505 115.700 -0.134 0.000 2.470 518 S HA 0.332 4.802 4.470 0.000 0.000 0.225 518 S C 2.435 177.030 174.600 -0.010 0.000 1.006 518 S CA 1.782 59.919 58.200 -0.104 0.000 0.934 518 S CB -0.178 62.932 63.200 -0.150 0.000 0.778 518 S HN 2.296 nan 8.310 nan 0.000 0.517 519 G N 0.713 109.542 108.800 0.049 0.000 2.299 519 G HA2 -0.241 3.719 3.960 0.000 0.000 0.237 519 G HA3 -0.241 3.719 3.960 0.000 0.000 0.237 519 G C 0.084 175.172 174.900 0.314 0.000 1.027 519 G CA 0.380 45.584 45.100 0.173 0.000 0.619 519 G HN 0.920 nan 8.290 nan 0.000 0.513 520 F N -2.032 117.933 119.950 0.025 0.000 2.770 520 F HA 0.668 5.195 4.527 0.000 0.000 0.313 520 F C -0.281 175.552 175.800 0.056 0.000 1.154 520 F CA -0.631 57.387 58.000 0.031 0.000 0.923 520 F CB 0.530 39.544 39.000 0.023 0.000 1.301 520 F HN 0.030 nan 8.300 nan 0.000 0.449 521 T N 2.776 117.343 114.554 0.023 0.000 3.121 521 T HA 0.119 4.469 4.350 0.000 0.000 0.256 521 T C 0.581 175.171 174.700 -0.184 0.000 0.942 521 T CA 0.244 62.317 62.100 -0.045 0.000 1.158 521 T CB -1.163 67.755 68.868 0.084 0.000 0.963 521 T HN 0.617 nan 8.240 nan 0.000 0.660 522 N N 0.952 119.349 118.700 -0.505 0.000 2.295 522 N HA 0.047 4.787 4.740 0.000 0.000 0.221 522 N C -0.465 174.994 175.510 -0.084 0.000 1.129 522 N CA -0.552 52.239 53.050 -0.432 0.000 0.836 522 N CB 0.410 38.444 38.487 -0.755 0.000 1.040 522 N HN 0.216 nan 8.380 nan 0.000 0.494 523 T N 0.815 115.374 114.554 0.008 0.000 3.050 523 T HA 0.254 4.604 4.350 0.000 0.000 0.310 523 T C -0.906 173.834 174.700 0.067 0.000 0.978 523 T CA -0.653 61.501 62.100 0.090 0.000 1.013 523 T CB 1.377 70.387 68.868 0.238 0.000 1.000 523 T HN 0.160 nan 8.240 nan 0.000 0.447 524 M N 4.533 124.162 119.600 0.048 0.000 2.336 524 M HA 0.598 5.079 4.480 0.000 0.000 0.342 524 M C -1.130 175.183 176.300 0.021 0.000 1.128 524 M CA -0.317 54.999 55.300 0.027 0.000 1.016 524 M CB 1.067 33.675 32.600 0.013 0.000 1.665 524 M HN 0.642 nan 8.290 nan 0.000 0.445 525 R N 2.539 123.042 120.500 0.006 0.000 2.888 525 R HA 0.768 5.108 4.340 0.000 0.000 0.264 525 R C -1.406 174.880 176.300 -0.024 0.000 1.045 525 R CA -1.135 54.964 56.100 -0.002 0.000 0.962 525 R CB 2.028 32.334 30.300 0.008 0.000 1.210 525 R HN 0.496 nan 8.270 nan 0.000 0.479 526 V N 2.281 122.179 119.914 -0.027 0.000 2.326 526 V HA 0.342 4.462 4.120 0.000 0.000 0.281 526 V C -0.468 175.599 176.094 -0.046 0.000 1.015 526 V CA -0.533 61.742 62.300 -0.041 0.000 0.823 526 V CB 1.431 33.233 31.823 -0.036 0.000 1.009 526 V HN 0.449 nan 8.190 nan 0.000 0.436 527 V N 7.439 127.312 119.914 -0.067 0.000 3.019 527 V HA 0.658 4.778 4.120 0.000 0.000 0.317 527 V C -2.555 173.481 176.094 -0.097 0.000 1.094 527 V CA -2.189 60.066 62.300 -0.075 0.000 1.000 527 V CB 2.715 34.489 31.823 -0.082 0.000 1.060 527 V HN 0.669 nan 8.190 nan 0.000 0.443 528 P HA 0.384 nan 4.420 nan 0.000 0.305 528 P C -0.865 176.370 177.300 -0.110 0.000 1.378 528 P CA -0.683 62.363 63.100 -0.090 0.000 0.926 528 P CB 1.421 33.089 31.700 -0.054 0.000 1.051 529 V N 5.751 125.578 119.914 -0.145 0.000 2.452 529 V HA 0.016 4.136 4.120 0.000 0.000 0.286 529 V C -1.490 174.576 176.094 -0.047 0.000 0.995 529 V CA -0.505 61.709 62.300 -0.144 0.000 1.116 529 V CB -0.946 30.781 31.823 -0.161 0.000 0.954 529 V HN 0.583 nan 8.190 nan 0.000 0.473 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 530 P CB 0.000 31.691 31.700 -0.015 0.000 0.726