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 1f3x_1_C 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 KLFEELARAS PHSTDLMEAM 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 61.283 61.300 -0.028 0.000 1.566 12 I CB 0.000 37.988 38.000 -0.020 0.000 1.214 13 Q N 1.340 121.133 119.800 -0.012 0.000 3.217 13 Q HA -0.138 4.214 4.340 0.020 0.000 0.025 13 Q C -0.557 175.453 176.000 0.017 0.000 1.708 13 Q CA 1.418 57.226 55.803 0.009 0.000 0.234 13 Q CB -0.786 27.962 28.738 0.017 0.000 0.989 13 Q HN 0.759 nan 8.270 nan 0.000 0.321 14 T N -1.098 113.473 114.554 0.029 0.000 2.903 14 T HA 0.494 4.856 4.350 0.020 0.000 0.299 14 T C -0.330 174.393 174.700 0.038 0.000 1.093 14 T CA 0.411 62.528 62.100 0.029 0.000 1.002 14 T CB 1.200 70.084 68.868 0.026 0.000 1.127 14 T HN 0.753 nan 8.240 nan 0.000 0.488 15 Q N 3.103 122.925 119.800 0.036 0.000 2.402 15 Q HA -0.267 4.086 4.340 0.020 0.000 0.356 15 Q C -0.257 175.784 176.000 0.068 0.000 1.344 15 Q CA 0.960 56.790 55.803 0.046 0.000 1.062 15 Q CB -1.819 26.943 28.738 0.041 0.000 1.268 15 Q HN 0.807 nan 8.270 nan 0.000 0.383 16 Q N -1.594 118.243 119.800 0.062 0.000 2.411 16 Q HA -0.223 4.130 4.340 0.020 0.000 0.305 16 Q C 0.639 176.699 176.000 0.100 0.000 1.273 16 Q CA 1.577 57.423 55.803 0.072 0.000 0.895 16 Q CB -1.966 26.813 28.738 0.068 0.000 1.198 16 Q HN 0.808 nan 8.270 nan 0.000 0.470 17 L N -1.350 119.929 121.223 0.094 0.000 2.156 17 L HA -0.153 4.199 4.340 0.020 0.000 0.208 17 L C 2.289 179.225 176.870 0.109 0.000 1.095 17 L CA 1.398 56.292 54.840 0.090 0.000 0.770 17 L CB -0.341 41.759 42.059 0.068 0.000 0.914 17 L HN 0.379 nan 8.230 nan 0.000 0.439 18 H N 0.536 119.619 119.070 0.022 0.000 2.321 18 H HA -0.111 4.460 4.556 0.026 0.000 0.300 18 H C 2.088 177.428 175.328 0.021 0.000 1.087 18 H CA 1.583 57.639 56.048 0.013 0.000 1.319 18 H CB 0.106 29.865 29.762 -0.004 0.000 1.379 18 H HN 0.231 nan 8.280 nan 0.000 0.501 19 A N 0.387 123.165 122.820 -0.069 0.000 2.119 19 A HA 0.130 4.462 4.320 0.020 0.000 0.217 19 A C 2.459 180.096 177.584 0.088 0.000 1.153 19 A CA 1.108 53.075 52.037 -0.117 0.000 0.692 19 A CB -0.939 17.953 19.000 -0.180 0.000 0.799 19 A HN 0.604 nan 8.150 nan 0.000 0.458 20 A N -0.856 122.030 122.820 0.110 0.000 2.014 20 A HA 0.012 4.344 4.320 0.020 0.000 0.218 20 A C 1.935 179.590 177.584 0.118 0.000 1.163 20 A CA 1.396 53.527 52.037 0.157 0.000 0.652 20 A CB -0.346 18.728 19.000 0.123 0.000 0.808 20 A HN 0.409 nan 8.150 nan 0.000 0.449 21 M N -0.027 119.590 119.600 0.028 0.000 2.562 21 M HA 0.172 4.664 4.480 0.020 0.000 0.257 21 M C 1.279 177.589 176.300 0.017 0.000 1.099 21 M CA 0.156 55.458 55.300 0.005 0.000 1.099 21 M CB -1.648 30.936 32.600 -0.028 0.000 1.427 21 M HN 0.382 nan 8.290 nan 0.000 0.489 22 A N 2.164 124.989 122.820 0.008 0.000 2.507 22 A HA 0.091 4.423 4.320 0.020 0.000 0.235 22 A C 0.800 178.491 177.584 0.179 0.000 1.070 22 A CA 0.455 52.495 52.037 0.005 0.000 0.768 22 A CB 0.056 18.974 19.000 -0.137 0.000 1.011 22 A HN 0.513 nan 8.150 nan 0.000 0.502 23 D N -0.721 119.758 120.400 0.132 0.000 2.379 23 D HA 0.102 4.754 4.640 0.020 0.000 0.208 23 D C 0.522 176.954 176.300 0.220 0.000 1.065 23 D CA 0.903 54.995 54.000 0.153 0.000 0.848 23 D CB -0.273 40.572 40.800 0.074 0.000 0.949 23 D HN 0.580 nan 8.370 nan 0.000 0.509 24 T N -3.839 110.846 114.554 0.219 0.000 2.906 24 T HA 0.439 4.801 4.350 0.020 0.000 0.295 24 T C 0.329 175.144 174.700 0.190 0.000 1.075 24 T CA -0.802 61.455 62.100 0.261 0.000 1.005 24 T CB 0.952 69.920 68.868 0.166 0.000 1.136 24 T HN -0.238 nan 8.240 nan 0.000 0.498 25 F N 0.300 120.342 119.950 0.153 0.000 2.186 25 F HA 0.085 4.603 4.527 -0.014 0.000 0.299 25 F C 2.190 177.959 175.800 -0.052 0.000 1.090 25 F CA 0.697 58.708 58.000 0.020 0.000 1.307 25 F CB -0.501 38.565 39.000 0.109 0.000 1.019 25 F HN 0.481 nan 8.300 nan 0.000 0.489 26 L N 0.458 121.787 121.223 0.177 0.000 2.042 26 L HA -0.214 4.138 4.340 0.020 0.000 0.210 26 L C 2.268 179.132 176.870 -0.011 0.000 1.076 26 L CA 1.969 56.850 54.840 0.068 0.000 0.749 26 L CB -0.855 41.240 42.059 0.060 0.000 0.893 26 L HN 0.102 nan 8.230 nan 0.000 0.432 27 E N -1.487 118.697 120.200 -0.027 0.000 2.107 27 E HA -0.262 4.100 4.350 0.020 0.000 0.191 27 E C 2.238 178.738 176.600 -0.166 0.000 0.982 27 E CA 1.372 57.727 56.400 -0.075 0.000 0.809 27 E CB -0.280 29.389 29.700 -0.052 0.000 0.756 27 E HN 0.706 nan 8.360 nan 0.000 0.459 28 H N -0.214 118.615 119.070 -0.401 0.000 2.319 28 H HA -0.073 4.498 4.556 0.026 0.000 0.299 28 H C 1.925 177.038 175.328 -0.359 0.000 1.092 28 H CA 2.426 58.107 56.048 -0.611 0.000 1.302 28 H CB -0.182 28.759 29.762 -1.368 0.000 1.373 28 H HN 0.182 nan 8.280 nan 0.000 0.497 29 M N -0.906 118.475 119.600 -0.364 0.000 2.067 29 M HA -0.192 4.300 4.480 0.020 0.000 0.260 29 M C 2.479 178.649 176.300 -0.218 0.000 1.069 29 M CA 1.631 56.755 55.300 -0.293 0.000 1.117 29 M CB -0.270 32.264 32.600 -0.111 0.000 1.334 29 M HN 0.393 nan 8.290 nan 0.000 0.407 30 C N 0.010 119.223 119.300 -0.144 0.000 2.409 30 C HA -0.126 4.346 4.460 0.020 0.000 0.288 30 C C 2.361 177.296 174.990 -0.092 0.000 1.395 30 C CA 0.874 59.836 59.018 -0.093 0.000 1.792 30 C CB -1.510 26.195 27.740 -0.058 0.000 1.847 30 C HN 0.440 nan 8.230 nan 0.000 0.534 31 R N -0.344 120.066 120.500 -0.150 0.000 2.362 31 R HA 0.243 4.595 4.340 0.020 0.000 0.227 31 R C 0.121 176.363 176.300 -0.097 0.000 0.905 31 R CA -0.173 55.873 56.100 -0.090 0.000 1.067 31 R CB 0.021 30.225 30.300 -0.160 0.000 1.078 31 R HN 0.470 nan 8.270 nan 0.000 0.516 32 L N 2.279 123.392 121.223 -0.183 0.000 2.584 32 L HA -0.015 4.337 4.340 0.020 0.000 0.272 32 L C -0.017 176.810 176.870 -0.071 0.000 1.195 32 L CA 0.405 55.150 54.840 -0.158 0.000 0.920 32 L CB 0.095 42.042 42.059 -0.187 0.000 1.173 32 L HN -0.066 nan 8.230 nan 0.000 0.489 33 D N 3.932 124.309 120.400 -0.039 0.000 2.425 33 D HA 0.196 4.848 4.640 0.020 0.000 0.240 33 D C 0.877 177.166 176.300 -0.018 0.000 1.080 33 D CA -0.536 53.453 54.000 -0.018 0.000 0.836 33 D CB 1.539 42.339 40.800 0.000 0.000 1.125 33 D HN 0.474 nan 8.370 nan 0.000 0.525 34 I N -0.136 120.422 120.570 -0.020 0.000 3.334 34 I HA 0.050 4.232 4.170 0.020 0.000 0.282 34 I C 0.052 176.163 176.117 -0.010 0.000 1.313 34 I CA 0.679 61.969 61.300 -0.015 0.000 1.396 34 I CB 0.222 38.212 38.000 -0.017 0.000 1.054 34 I HN 0.018 nan 8.210 nan 0.000 0.495 35 D N 1.098 121.492 120.400 -0.009 0.000 2.402 35 D HA 0.110 4.763 4.640 0.020 0.000 0.216 35 D C 0.367 176.666 176.300 -0.002 0.000 1.128 35 D CA 0.264 54.260 54.000 -0.007 0.000 0.833 35 D CB 0.743 41.537 40.800 -0.011 0.000 0.971 35 D HN 0.190 nan 8.370 nan 0.000 0.503 36 S N 0.985 116.686 115.700 0.001 0.000 2.543 36 S HA 0.482 4.964 4.470 0.020 0.000 0.299 36 S C 0.166 174.774 174.600 0.013 0.000 1.125 36 S CA -0.608 57.597 58.200 0.010 0.000 1.098 36 S CB -0.010 63.201 63.200 0.018 0.000 1.063 36 S HN 0.215 nan 8.310 nan 0.000 0.493 37 A N 7.443 130.271 122.820 0.013 0.000 2.566 37 A HA 0.341 4.673 4.320 0.020 0.000 0.245 37 A C -1.761 175.834 177.584 0.018 0.000 1.056 37 A CA -0.692 51.354 52.037 0.015 0.000 0.757 37 A CB -0.236 18.774 19.000 0.017 0.000 0.979 37 A HN 0.657 nan 8.150 nan 0.000 0.508 38 P HA 0.290 nan 4.420 nan 0.000 0.275 38 P C 0.088 177.397 177.300 0.014 0.000 1.270 38 P CA -0.251 62.857 63.100 0.014 0.000 0.791 38 P CB 0.445 32.145 31.700 0.000 0.000 1.089 39 I N -3.472 117.102 120.570 0.005 0.000 2.797 39 I HA 0.245 4.427 4.170 0.020 0.000 0.310 39 I C 1.192 177.311 176.117 0.004 0.000 0.990 39 I CA -0.604 60.698 61.300 0.003 0.000 1.228 39 I CB 0.143 38.131 38.000 -0.020 0.000 1.406 39 I HN 0.142 nan 8.210 nan 0.000 0.534 40 T N 2.550 117.123 114.554 0.033 0.000 2.708 40 T HA -0.037 4.326 4.350 0.020 0.000 0.266 40 T C 1.091 175.834 174.700 0.071 0.000 1.037 40 T CA 1.432 63.590 62.100 0.097 0.000 1.146 40 T CB -0.316 68.665 68.868 0.188 0.000 0.865 40 T HN 0.771 nan 8.240 nan 0.000 0.435 41 A N 1.660 124.374 122.820 -0.177 0.000 2.462 41 A HA 0.438 4.770 4.320 0.020 0.000 0.243 41 A C 0.453 177.964 177.584 -0.121 0.000 1.076 41 A CA -0.173 51.621 52.037 -0.404 0.000 0.773 41 A CB 0.108 18.462 19.000 -1.077 0.000 1.010 41 A HN 0.390 nan 8.150 nan 0.000 0.493 42 R N 1.759 122.269 120.500 0.017 0.000 2.494 42 R HA 0.296 4.648 4.340 0.020 0.000 0.305 42 R C -0.467 175.878 176.300 0.075 0.000 0.959 42 R CA -0.711 55.404 56.100 0.025 0.000 0.864 42 R CB 0.752 31.086 30.300 0.057 0.000 1.159 42 R HN 0.874 nan 8.270 nan 0.000 0.446 43 N N 1.090 119.821 118.700 0.052 0.000 2.388 43 N HA 0.004 4.756 4.740 0.020 0.000 0.176 43 N C -0.444 175.122 175.510 0.092 0.000 1.062 43 N CA 0.524 53.626 53.050 0.087 0.000 0.895 43 N CB 0.637 39.172 38.487 0.081 0.000 1.018 43 N HN 0.469 nan 8.380 nan 0.000 0.456 44 T N 0.988 115.581 114.554 0.065 0.000 2.761 44 T HA 0.359 4.721 4.350 0.020 0.000 0.296 44 T C 0.749 175.485 174.700 0.059 0.000 0.934 44 T CA -0.547 61.586 62.100 0.054 0.000 1.091 44 T CB 1.220 70.106 68.868 0.029 0.000 0.896 44 T HN 0.088 nan 8.240 nan 0.000 0.515 45 G N 3.004 111.840 108.800 0.061 0.000 2.398 45 G HA2 0.466 4.438 3.960 0.020 0.000 0.246 45 G HA3 0.466 4.438 3.960 0.020 0.000 0.246 45 G C -0.261 174.649 174.900 0.017 0.000 1.289 45 G CA -0.551 44.578 45.100 0.049 0.000 0.869 45 G HN 0.771 nan 8.290 nan 0.000 0.543 46 I N 2.309 122.876 120.570 -0.006 0.000 2.339 46 I HA 0.281 4.463 4.170 0.020 0.000 0.290 46 I C -0.074 176.038 176.117 -0.009 0.000 0.994 46 I CA -0.435 60.865 61.300 0.001 0.000 1.191 46 I CB 1.622 39.632 38.000 0.016 0.000 1.343 46 I HN 0.218 nan 8.210 nan 0.000 0.458 47 I N 5.922 126.505 120.570 0.021 0.000 2.330 47 I HA 0.291 4.473 4.170 0.020 0.000 0.289 47 I C -0.550 175.605 176.117 0.063 0.000 1.001 47 I CA -0.371 60.962 61.300 0.056 0.000 1.193 47 I CB 1.182 39.246 38.000 0.106 0.000 1.345 47 I HN 0.530 nan 8.210 nan 0.000 0.461 48 C N 4.284 123.618 119.300 0.057 0.000 2.295 48 C HA 0.363 4.836 4.460 0.020 0.000 0.331 48 C C 0.834 175.875 174.990 0.085 0.000 1.280 48 C CA -0.485 58.570 59.018 0.061 0.000 1.746 48 C CB 0.706 28.471 27.740 0.040 0.000 2.328 48 C HN 0.655 nan 8.230 nan 0.000 0.521 49 T N 5.468 120.080 114.554 0.097 0.000 2.761 49 T HA 0.267 4.629 4.350 0.020 0.000 0.296 49 T C 0.332 175.095 174.700 0.105 0.000 0.934 49 T CA -0.076 62.094 62.100 0.118 0.000 1.091 49 T CB -0.027 68.916 68.868 0.126 0.000 0.896 49 T HN 0.353 nan 8.240 nan 0.000 0.515 50 I N 3.531 124.168 120.570 0.111 0.000 2.395 50 I HA 0.568 4.750 4.170 0.020 0.000 0.289 50 I C 0.980 177.171 176.117 0.123 0.000 1.023 50 I CA -0.024 61.335 61.300 0.098 0.000 1.350 50 I CB 0.643 38.691 38.000 0.080 0.000 1.409 50 I HN 0.773 nan 8.210 nan 0.000 0.507 51 G N 6.852 115.712 108.800 0.101 0.000 2.827 51 G HA2 0.501 4.473 3.960 0.020 0.000 0.296 51 G HA3 0.501 4.473 3.960 0.020 0.000 0.296 51 G C -2.402 172.558 174.900 0.099 0.000 1.362 51 G CA -0.442 44.734 45.100 0.126 0.000 0.809 51 G HN 0.307 nan 8.290 nan 0.000 0.522 52 P HA -0.112 nan 4.420 nan 0.000 0.220 52 P C 1.550 178.872 177.300 0.038 0.000 1.144 52 P CA 1.860 65.007 63.100 0.078 0.000 0.800 52 P CB 0.155 31.892 31.700 0.060 0.000 0.772 53 A N 0.123 122.962 122.820 0.030 0.000 2.119 53 A HA 0.040 4.372 4.320 0.020 0.000 0.216 53 A C 1.689 179.282 177.584 0.015 0.000 1.152 53 A CA 1.341 53.385 52.037 0.011 0.000 0.708 53 A CB -0.543 18.460 19.000 0.005 0.000 0.805 53 A HN 0.371 nan 8.150 nan 0.000 0.460 54 S N -2.168 113.548 115.700 0.027 0.000 3.073 54 S HA 0.301 4.783 4.470 0.020 0.000 0.252 54 S C 0.790 175.403 174.600 0.021 0.000 0.953 54 S CA -0.484 57.731 58.200 0.026 0.000 1.105 54 S CB -0.087 63.134 63.200 0.035 0.000 1.070 54 S HN 0.476 nan 8.310 nan 0.000 0.574 55 R N 1.986 122.492 120.500 0.011 0.000 2.140 55 R HA 0.130 4.482 4.340 0.020 0.000 0.213 55 R C 0.836 177.128 176.300 -0.015 0.000 1.059 55 R CA 0.862 56.952 56.100 -0.016 0.000 1.000 55 R CB -0.095 30.176 30.300 -0.048 0.000 0.910 55 R HN 0.591 nan 8.270 nan 0.000 0.455 56 S N 0.584 116.281 115.700 -0.004 0.000 2.546 56 S HA -0.003 4.479 4.470 0.020 0.000 0.290 56 S C 1.553 176.156 174.600 0.005 0.000 1.290 56 S CA -0.593 57.605 58.200 -0.003 0.000 1.069 56 S CB 1.369 64.570 63.200 0.001 0.000 0.846 56 S HN -0.070 nan 8.310 nan 0.000 0.495 57 V N 2.790 122.705 119.914 0.002 0.000 2.370 57 V HA -0.196 3.936 4.120 0.020 0.000 0.252 57 V C 2.768 178.871 176.094 0.015 0.000 1.068 57 V CA 2.506 64.811 62.300 0.008 0.000 1.061 57 V CB -1.132 30.690 31.823 -0.002 0.000 0.656 57 V HN 0.932 nan 8.190 nan 0.000 0.455 58 E N -0.057 120.148 120.200 0.008 0.000 2.110 58 E HA -0.155 4.207 4.350 0.020 0.000 0.193 58 E C 2.321 178.938 176.600 0.029 0.000 0.988 58 E CA 1.772 58.180 56.400 0.013 0.000 0.804 58 E CB -0.444 29.259 29.700 0.006 0.000 0.745 58 E HN 0.625 nan 8.360 nan 0.000 0.458 59 T N 0.870 115.440 114.554 0.026 0.000 2.857 59 T HA -0.054 4.308 4.350 0.020 0.000 0.266 59 T C 1.561 176.287 174.700 0.044 0.000 1.048 59 T CA 0.441 62.559 62.100 0.031 0.000 1.139 59 T CB -0.051 68.830 68.868 0.022 0.000 0.874 59 T HN 0.050 nan 8.240 nan 0.000 0.455 60 L N 1.468 122.719 121.223 0.047 0.000 2.012 60 L HA -0.074 4.279 4.340 0.020 0.000 0.210 60 L C 2.356 179.288 176.870 0.102 0.000 1.073 60 L CA 1.861 56.738 54.840 0.061 0.000 0.748 60 L CB -1.081 41.013 42.059 0.059 0.000 0.891 60 L HN 0.312 nan 8.230 nan 0.000 0.431 61 K N -0.467 120.011 120.400 0.129 0.000 2.074 61 K HA -0.211 4.122 4.320 0.020 0.000 0.209 61 K C 1.904 178.631 176.600 0.211 0.000 1.048 61 K CA 1.333 57.766 56.287 0.244 0.000 0.926 61 K CB -0.022 32.569 32.500 0.153 0.000 0.713 61 K HN 0.286 nan 8.250 nan 0.000 0.444 62 E N 0.235 120.505 120.200 0.117 0.000 2.152 62 E HA -0.093 4.269 4.350 0.020 0.000 0.192 62 E C 2.002 178.627 176.600 0.042 0.000 0.983 62 E CA 0.816 57.262 56.400 0.077 0.000 0.818 62 E CB -0.060 29.673 29.700 0.056 0.000 0.758 62 E HN 0.297 nan 8.360 nan 0.000 0.467 63 M N 0.238 119.863 119.600 0.041 0.000 2.108 63 M HA -0.137 4.355 4.480 0.020 0.000 0.261 63 M C 2.430 178.719 176.300 -0.019 0.000 1.066 63 M CA 1.235 56.545 55.300 0.016 0.000 1.107 63 M CB -0.833 31.782 32.600 0.024 0.000 1.356 63 M HN 0.094 nan 8.290 nan 0.000 0.406 64 I N -0.097 120.462 120.570 -0.019 0.000 2.202 64 I HA -0.301 3.881 4.170 0.020 0.000 0.242 64 I C 2.341 178.356 176.117 -0.169 0.000 1.091 64 I CA 1.209 62.442 61.300 -0.111 0.000 1.368 64 I CB -0.456 37.461 38.000 -0.138 0.000 1.058 64 I HN 0.304 nan 8.210 nan 0.000 0.410 65 K N 0.412 120.735 120.400 -0.129 0.000 2.209 65 K HA -0.094 4.238 4.320 0.020 0.000 0.204 65 K C 2.151 178.681 176.600 -0.116 0.000 1.048 65 K CA 1.317 57.525 56.287 -0.130 0.000 0.940 65 K CB -0.183 32.296 32.500 -0.034 0.000 0.729 65 K HN 0.175 nan 8.250 nan 0.000 0.451 66 S N -0.815 114.832 115.700 -0.087 0.000 2.489 66 S HA 0.032 4.514 4.470 0.020 0.000 0.228 66 S C 1.326 175.839 174.600 -0.144 0.000 0.995 66 S CA 0.939 59.080 58.200 -0.099 0.000 0.934 66 S CB 0.525 63.703 63.200 -0.037 0.000 0.771 66 S HN 0.651 nan 8.310 nan 0.000 0.522 67 G N 0.580 109.306 108.800 -0.124 0.000 2.813 67 G HA2 -0.147 3.825 3.960 0.020 0.000 0.194 67 G HA3 -0.147 3.825 3.960 0.020 0.000 0.194 67 G C 0.203 175.054 174.900 -0.081 0.000 1.010 67 G CA -0.199 44.843 45.100 -0.096 0.000 0.771 67 G HN 0.365 nan 8.290 nan 0.000 0.485 68 M N 1.604 121.157 119.600 -0.078 0.000 2.255 68 M HA 0.153 4.645 4.480 0.020 0.000 0.356 68 M C 0.853 177.042 176.300 -0.184 0.000 1.338 68 M CA 1.368 56.614 55.300 -0.090 0.000 0.962 68 M CB 0.135 32.702 32.600 -0.055 0.000 1.877 68 M HN 0.328 nan 8.290 nan 0.000 0.463 69 N N 2.628 121.185 118.700 -0.238 0.000 2.445 69 N HA 0.199 4.952 4.740 0.020 0.000 0.204 69 N C -1.060 174.242 175.510 -0.348 0.000 1.098 69 N CA -0.191 52.549 53.050 -0.517 0.000 0.859 69 N CB 0.969 39.053 38.487 -0.672 0.000 1.249 69 N HN 0.432 nan 8.380 nan 0.000 0.462 70 V N 0.976 120.806 119.914 -0.138 0.000 2.531 70 V HA 0.699 4.832 4.120 0.020 0.000 0.301 70 V C -0.901 175.200 176.094 0.012 0.000 1.034 70 V CA -1.182 61.103 62.300 -0.026 0.000 0.865 70 V CB 1.540 33.401 31.823 0.065 0.000 0.995 70 V HN 0.117 nan 8.190 nan 0.000 0.424 71 A N 4.896 127.724 122.820 0.013 0.000 2.252 71 A HA 0.716 5.048 4.320 0.020 0.000 0.309 71 A C 0.048 177.652 177.584 0.034 0.000 1.285 71 A CA -0.505 51.551 52.037 0.032 0.000 0.900 71 A CB 0.344 19.362 19.000 0.031 0.000 1.157 71 A HN 0.867 nan 8.150 nan 0.000 0.536 72 R N 3.889 124.432 120.500 0.072 0.000 2.255 72 R HA 0.502 4.854 4.340 0.020 0.000 0.326 72 R C -1.010 175.359 176.300 0.114 0.000 0.986 72 R CA -0.594 55.549 56.100 0.073 0.000 0.847 72 R CB 0.543 30.957 30.300 0.189 0.000 1.111 72 R HN 0.615 nan 8.270 nan 0.000 0.452 73 M N 3.798 123.466 119.600 0.112 0.000 2.088 73 M HA 0.185 4.677 4.480 0.020 0.000 0.346 73 M C -0.350 176.083 176.300 0.222 0.000 1.111 73 M CA -0.931 54.491 55.300 0.204 0.000 1.017 73 M CB 0.726 33.490 32.600 0.274 0.000 1.568 73 M HN 0.455 nan 8.290 nan 0.000 0.445 74 N N 3.084 121.931 118.700 0.246 0.000 2.521 74 N HA 0.159 4.912 4.740 0.020 0.000 0.236 74 N C -0.398 175.249 175.510 0.228 0.000 1.067 74 N CA -0.208 52.993 53.050 0.252 0.000 0.939 74 N CB 0.097 38.734 38.487 0.251 0.000 1.201 74 N HN 0.361 nan 8.380 nan 0.000 0.511 75 F N 1.305 121.214 119.950 -0.067 0.000 2.772 75 F HA 0.054 4.593 4.527 0.020 0.000 0.302 75 F C 2.093 177.920 175.800 0.045 0.000 1.225 75 F CA 0.173 58.144 58.000 -0.049 0.000 1.429 75 F CB -0.272 38.662 39.000 -0.110 0.000 1.104 75 F HN 0.438 nan 8.300 nan 0.000 0.550 76 S N -1.652 114.119 115.700 0.119 0.000 2.481 76 S HA -0.030 4.452 4.470 0.020 0.000 0.231 76 S C 0.208 174.553 174.600 -0.426 0.000 0.996 76 S CA 0.676 58.798 58.200 -0.130 0.000 0.942 76 S CB -0.249 62.839 63.200 -0.186 0.000 0.768 76 S HN 0.429 nan 8.310 nan 0.000 0.520 77 H N -1.604 117.545 119.070 0.132 0.000 2.977 77 H HA 0.587 5.155 4.556 0.020 0.000 0.350 77 H C 0.168 175.503 175.328 0.012 0.000 1.238 77 H CA -0.236 55.839 56.048 0.045 0.000 1.124 77 H CB 1.275 31.035 29.762 -0.003 0.000 1.866 77 H HN 0.194 nan 8.280 nan 0.000 0.550 78 G N 0.501 109.274 108.800 -0.044 0.000 2.716 78 G HA2 -0.035 3.937 3.960 0.020 0.000 0.686 78 G HA3 -0.035 3.937 3.960 0.020 0.000 0.686 78 G C -0.006 174.802 174.900 -0.154 0.000 1.337 78 G CA -0.417 44.488 45.100 -0.325 0.000 0.829 78 G HN 0.885 nan 8.290 nan 0.000 0.599 79 T N -1.548 112.918 114.554 -0.147 0.000 2.862 79 T HA 0.575 4.937 4.350 0.020 0.000 0.276 79 T C 1.338 176.060 174.700 0.037 0.000 0.974 79 T CA 0.470 62.544 62.100 -0.043 0.000 0.966 79 T CB 1.337 70.178 68.868 -0.045 0.000 1.072 79 T HN 0.682 nan 8.240 nan 0.000 0.538 80 H N 0.312 119.283 119.070 -0.164 0.000 2.321 80 H HA -0.118 4.451 4.556 0.020 0.000 0.300 80 H C 2.367 177.617 175.328 -0.130 0.000 1.087 80 H CA 1.795 57.614 56.048 -0.382 0.000 1.319 80 H CB 0.200 29.583 29.762 -0.632 0.000 1.379 80 H HN 0.913 nan 8.280 nan 0.000 0.501 81 E N 0.560 120.827 120.200 0.112 0.000 2.160 81 E HA -0.264 4.099 4.350 0.020 0.000 0.195 81 E C 1.920 178.578 176.600 0.096 0.000 0.991 81 E CA 1.265 57.741 56.400 0.127 0.000 0.810 81 E CB -0.536 29.221 29.700 0.096 0.000 0.742 81 E HN 0.528 nan 8.360 nan 0.000 0.466 82 Y N 1.912 122.165 120.300 -0.079 0.000 2.049 82 Y HA -0.272 4.291 4.550 0.020 0.000 0.277 82 Y C 2.384 178.192 175.900 -0.154 0.000 1.143 82 Y CA 2.336 60.332 58.100 -0.172 0.000 1.115 82 Y CB -0.464 37.791 38.460 -0.341 0.000 0.975 82 Y HN 0.119 nan 8.280 nan 0.000 0.487 83 H N -0.373 118.679 119.070 -0.030 0.000 2.457 83 H HA -0.091 4.478 4.556 0.021 0.000 0.297 83 H C 2.228 177.617 175.328 0.102 0.000 1.092 83 H CA 1.117 57.126 56.048 -0.064 0.000 1.309 83 H CB -0.630 29.014 29.762 -0.197 0.000 1.382 83 H HN 0.531 nan 8.280 nan 0.000 0.535 84 A N 0.837 123.836 122.820 0.300 0.000 1.897 84 A HA -0.143 4.189 4.320 0.020 0.000 0.215 84 A C 2.391 180.042 177.584 0.112 0.000 1.181 84 A CA 1.319 53.546 52.037 0.317 0.000 0.620 84 A CB -0.272 18.963 19.000 0.391 0.000 0.821 84 A HN 0.386 nan 8.150 nan 0.000 0.443 85 E N -0.938 119.270 120.200 0.014 0.000 2.051 85 E HA -0.178 4.184 4.350 0.020 0.000 0.192 85 E C 2.187 178.740 176.600 -0.080 0.000 0.991 85 E CA 1.605 57.977 56.400 -0.046 0.000 0.799 85 E CB -0.168 29.474 29.700 -0.096 0.000 0.748 85 E HN 0.618 nan 8.360 nan 0.000 0.449 86 T N 0.260 114.716 114.554 -0.164 0.000 2.788 86 T HA -0.121 4.242 4.350 0.020 0.000 0.268 86 T C 1.947 176.638 174.700 -0.014 0.000 1.044 86 T CA 1.117 63.140 62.100 -0.129 0.000 1.139 86 T CB -0.231 68.510 68.868 -0.213 0.000 0.867 86 T HN 0.139 nan 8.240 nan 0.000 0.454 87 I N 0.628 121.222 120.570 0.040 0.000 2.226 87 I HA -0.112 4.070 4.170 0.020 0.000 0.245 87 I C 2.770 178.909 176.117 0.037 0.000 1.100 87 I CA 1.524 62.861 61.300 0.062 0.000 1.374 87 I CB -0.385 37.671 38.000 0.093 0.000 1.057 87 I HN 0.325 nan 8.210 nan 0.000 0.413 88 K N 1.087 121.504 120.400 0.029 0.000 2.057 88 K HA -0.210 4.122 4.320 0.020 0.000 0.207 88 K C 1.850 178.460 176.600 0.017 0.000 1.049 88 K CA 1.648 57.948 56.287 0.021 0.000 0.931 88 K CB -0.039 32.471 32.500 0.017 0.000 0.714 88 K HN 0.291 nan 8.250 nan 0.000 0.440 89 N N 0.973 119.675 118.700 0.005 0.000 2.142 89 N HA -0.152 4.600 4.740 0.020 0.000 0.186 89 N C 1.955 177.481 175.510 0.026 0.000 1.023 89 N CA 1.644 54.698 53.050 0.006 0.000 0.852 89 N CB -0.538 37.942 38.487 -0.012 0.000 0.998 89 N HN 0.294 nan 8.380 nan 0.000 0.424 90 V N -0.156 119.778 119.914 0.032 0.000 2.407 90 V HA -0.126 4.007 4.120 0.020 0.000 0.248 90 V C 2.176 178.312 176.094 0.070 0.000 1.055 90 V CA 1.344 63.674 62.300 0.050 0.000 1.049 90 V CB -0.514 31.336 31.823 0.045 0.000 0.662 90 V HN 0.126 nan 8.190 nan 0.000 0.455 91 R N 0.256 120.794 120.500 0.063 0.000 2.092 91 R HA -0.064 4.288 4.340 0.020 0.000 0.231 91 R C 2.509 178.860 176.300 0.085 0.000 1.119 91 R CA 1.881 58.029 56.100 0.080 0.000 0.970 91 R CB -0.849 29.487 30.300 0.060 0.000 0.864 91 R HN 0.595 nan 8.270 nan 0.000 0.440 92 T N 1.014 115.601 114.554 0.055 0.000 2.708 92 T HA -0.121 4.241 4.350 0.020 0.000 0.266 92 T C 1.953 176.677 174.700 0.040 0.000 1.037 92 T CA 1.467 63.589 62.100 0.036 0.000 1.146 92 T CB -0.207 68.669 68.868 0.014 0.000 0.865 92 T HN 0.366 nan 8.240 nan 0.000 0.435 93 A N 1.170 124.025 122.820 0.059 0.000 1.933 93 A HA -0.112 4.221 4.320 0.020 0.000 0.218 93 A C 2.537 180.243 177.584 0.204 0.000 1.175 93 A CA 2.028 54.114 52.037 0.082 0.000 0.628 93 A CB -1.171 17.897 19.000 0.113 0.000 0.814 93 A HN 0.477 nan 8.150 nan 0.000 0.444 94 T N 0.150 114.846 114.554 0.235 0.000 2.674 94 T HA -0.102 4.261 4.350 0.020 0.000 0.265 94 T C 1.722 176.705 174.700 0.471 0.000 1.039 94 T CA 1.489 63.801 62.100 0.353 0.000 1.150 94 T CB -0.258 68.748 68.868 0.231 0.000 0.864 94 T HN 0.461 nan 8.240 nan 0.000 0.427 95 E N 1.787 122.165 120.200 0.297 0.000 2.338 95 E HA -0.060 4.302 4.350 0.020 0.000 0.197 95 E C 2.445 179.109 176.600 0.107 0.000 1.007 95 E CA 0.868 57.407 56.400 0.231 0.000 0.849 95 E CB -0.642 29.125 29.700 0.113 0.000 0.774 95 E HN 0.667 nan 8.360 nan 0.000 0.506 96 S N -0.290 115.390 115.700 -0.034 0.000 2.493 96 S HA -0.108 4.374 4.470 0.020 0.000 0.243 96 S C 1.521 175.910 174.600 -0.351 0.000 0.991 96 S CA 0.655 58.700 58.200 -0.258 0.000 0.957 96 S CB -0.404 62.528 63.200 -0.447 0.000 0.756 96 S HN 0.147 nan 8.310 nan 0.000 0.521 97 F N 1.104 121.142 119.950 0.147 0.000 2.622 97 F HA 0.543 5.083 4.527 0.021 0.000 0.288 97 F C 2.546 178.487 175.800 0.235 0.000 1.120 97 F CA -0.311 57.803 58.000 0.191 0.000 1.423 97 F CB -0.797 38.333 39.000 0.217 0.000 1.127 97 F HN 0.220 nan 8.300 nan 0.000 0.588 98 A N 0.679 123.702 122.820 0.337 0.000 2.009 98 A HA -0.307 4.025 4.320 0.020 0.000 0.222 98 A C 2.368 179.912 177.584 -0.066 0.000 1.175 98 A CA 2.372 54.328 52.037 -0.134 0.000 0.651 98 A CB -1.270 17.580 19.000 -0.250 0.000 0.815 98 A HN 0.440 nan 8.150 nan 0.000 0.459 99 S N -0.494 115.219 115.700 0.022 0.000 2.387 99 S HA -0.171 4.311 4.470 0.020 0.000 0.230 99 S C 0.860 175.480 174.600 0.032 0.000 1.035 99 S CA 1.175 59.383 58.200 0.013 0.000 1.014 99 S CB -0.409 62.802 63.200 0.018 0.000 0.836 99 S HN 0.618 nan 8.310 nan 0.000 0.466 100 D N 2.254 122.707 120.400 0.088 0.000 2.412 100 D HA 0.355 5.007 4.640 0.020 0.000 0.224 100 D C -2.145 174.220 176.300 0.108 0.000 1.093 100 D CA -2.450 51.604 54.000 0.089 0.000 0.850 100 D CB 1.718 42.585 40.800 0.112 0.000 1.046 100 D HN -0.019 nan 8.370 nan 0.000 0.507 101 P HA -0.008 nan 4.420 nan 0.000 0.220 101 P C 1.433 178.792 177.300 0.099 0.000 1.148 101 P CA 0.744 63.883 63.100 0.065 0.000 0.803 101 P CB 0.466 32.180 31.700 0.023 0.000 0.782 102 I N -1.723 118.890 120.570 0.071 0.000 2.400 102 I HA -0.092 4.090 4.170 0.020 0.000 0.248 102 I C 1.597 177.746 176.117 0.054 0.000 1.109 102 I CA 0.889 62.215 61.300 0.042 0.000 1.425 102 I CB -0.304 37.696 38.000 -0.001 0.000 1.094 102 I HN -0.117 nan 8.210 nan 0.000 0.425 103 L N 0.045 121.317 121.223 0.082 0.000 2.592 103 L HA 0.071 4.424 4.340 0.020 0.000 0.227 103 L C 0.363 177.300 176.870 0.112 0.000 1.127 103 L CA 0.327 55.210 54.840 0.073 0.000 0.884 103 L CB -1.111 40.989 42.059 0.069 0.000 1.065 103 L HN 0.197 nan 8.230 nan 0.000 0.457 104 Y N 1.769 122.100 120.300 0.051 0.000 2.402 104 Y HA 0.258 4.821 4.550 0.021 0.000 0.333 104 Y C 0.172 176.085 175.900 0.021 0.000 1.076 104 Y CA -0.460 57.673 58.100 0.056 0.000 1.299 104 Y CB 0.350 38.857 38.460 0.080 0.000 1.197 104 Y HN -0.017 nan 8.280 nan 0.000 0.517 105 R N 7.816 127.934 120.500 -0.638 0.000 2.246 105 R HA 0.400 4.753 4.340 0.020 0.000 0.332 105 R C -2.658 173.189 176.300 -0.754 0.000 0.974 105 R CA -2.079 53.686 56.100 -0.558 0.000 0.837 105 R CB 0.659 30.724 30.300 -0.392 0.000 1.145 105 R HN 0.501 nan 8.270 nan 0.000 0.467 106 P HA 0.076 nan 4.420 nan 0.000 0.269 106 P C -0.806 176.485 177.300 -0.015 0.000 1.215 106 P CA -0.233 62.708 63.100 -0.266 0.000 0.780 106 P CB 0.772 32.438 31.700 -0.058 0.000 0.898 107 V N 1.295 121.223 119.914 0.022 0.000 2.686 107 V HA 0.630 4.763 4.120 0.020 0.000 0.306 107 V C -0.049 176.091 176.094 0.076 0.000 1.065 107 V CA -0.806 61.499 62.300 0.008 0.000 0.894 107 V CB 1.853 33.652 31.823 -0.040 0.000 1.004 107 V HN 0.681 nan 8.190 nan 0.000 0.424 108 A N 3.974 126.845 122.820 0.085 0.000 2.282 108 A HA 0.897 5.230 4.320 0.020 0.000 0.319 108 A C -0.686 176.917 177.584 0.030 0.000 1.121 108 A CA -0.554 51.534 52.037 0.084 0.000 0.836 108 A CB 1.457 20.533 19.000 0.128 0.000 1.146 108 A HN 0.744 nan 8.150 nan 0.000 0.494 109 V N 0.972 120.890 119.914 0.008 0.000 2.409 109 V HA 0.646 4.778 4.120 0.020 0.000 0.291 109 V C 0.404 176.435 176.094 -0.105 0.000 1.020 109 V CA -0.159 62.126 62.300 -0.026 0.000 0.848 109 V CB 1.027 32.843 31.823 -0.012 0.000 0.990 109 V HN 1.198 nan 8.190 nan 0.000 0.430 110 A N 4.952 127.662 122.820 -0.184 0.000 2.337 110 A HA 0.940 5.272 4.320 0.020 0.000 0.331 110 A C -1.204 176.136 177.584 -0.407 0.000 1.137 110 A CA -0.609 51.154 52.037 -0.458 0.000 0.807 110 A CB 1.595 20.082 19.000 -0.855 0.000 1.250 110 A HN 0.851 nan 8.150 nan 0.000 0.468 111 L N 1.543 122.463 121.223 -0.505 0.000 2.342 111 L HA 0.492 4.845 4.340 0.020 0.000 0.276 111 L C -1.167 175.524 176.870 -0.297 0.000 0.997 111 L CA -0.454 54.182 54.840 -0.339 0.000 0.838 111 L CB 1.428 43.251 42.059 -0.393 0.000 1.224 111 L HN 0.662 nan 8.230 nan 0.000 0.416 112 D N 3.743 124.094 120.400 -0.081 0.000 2.359 112 D HA 0.193 4.846 4.640 0.020 0.000 0.230 112 D C -0.423 175.931 176.300 0.091 0.000 1.118 112 D CA -0.038 54.013 54.000 0.084 0.000 0.844 112 D CB 1.103 42.034 40.800 0.218 0.000 1.059 112 D HN 0.638 nan 8.370 nan 0.000 0.493 113 T N 2.949 117.534 114.554 0.052 0.000 2.906 113 T HA -0.063 4.299 4.350 0.020 0.000 0.320 113 T C 1.468 176.247 174.700 0.131 0.000 1.088 113 T CA 0.161 62.297 62.100 0.060 0.000 1.120 113 T CB 1.385 70.286 68.868 0.054 0.000 1.000 113 T HN 0.435 nan 8.240 nan 0.000 0.550 114 K N 1.424 121.908 120.400 0.140 0.000 2.098 114 K HA 0.133 4.465 4.320 0.020 0.000 0.203 114 K C 1.240 177.943 176.600 0.172 0.000 1.051 114 K CA 0.949 57.321 56.287 0.141 0.000 0.957 114 K CB -0.578 31.987 32.500 0.108 0.000 0.738 114 K HN 0.911 nan 8.250 nan 0.000 0.447 115 G N 0.792 109.678 108.800 0.143 0.000 2.692 115 G HA2 -0.228 3.744 3.960 0.020 0.000 0.248 115 G HA3 -0.228 3.744 3.960 0.020 0.000 0.248 115 G C -2.299 172.620 174.900 0.032 0.000 1.340 115 G CA -0.207 44.983 45.100 0.150 0.000 0.896 115 G HN 0.273 nan 8.290 nan 0.000 0.570 116 P HA 0.186 nan 4.420 nan 0.000 0.238 116 P C 0.119 177.124 177.300 -0.491 0.000 1.649 116 P CA 0.631 63.557 63.100 -0.290 0.000 0.960 116 P CB -0.276 31.228 31.700 -0.327 0.000 1.911 117 E N 0.721 120.746 120.200 -0.292 0.000 2.319 117 E HA 0.385 4.747 4.350 0.020 0.000 0.268 117 E C 0.082 176.560 176.600 -0.203 0.000 1.050 117 E CA -0.699 55.547 56.400 -0.256 0.000 0.878 117 E CB 1.107 30.768 29.700 -0.065 0.000 1.066 117 E HN 0.231 nan 8.360 nan 0.000 0.406 118 I N 2.254 122.722 120.570 -0.170 0.000 2.389 118 I HA 0.316 4.499 4.170 0.020 0.000 0.288 118 I C 0.776 176.877 176.117 -0.027 0.000 0.999 118 I CA -0.350 60.885 61.300 -0.108 0.000 1.129 118 I CB 1.406 39.333 38.000 -0.120 0.000 1.288 118 I HN 0.414 nan 8.210 nan 0.000 0.444 119 R N 2.695 123.195 120.500 -0.000 0.000 2.531 119 R HA 0.155 4.507 4.340 0.020 0.000 0.316 119 R C -0.238 176.141 176.300 0.132 0.000 0.955 119 R CA 0.243 56.387 56.100 0.073 0.000 1.120 119 R CB 0.921 31.290 30.300 0.116 0.000 1.361 119 R HN 0.952 nan 8.270 nan 0.000 0.534 120 T N -2.881 111.729 114.554 0.093 0.000 0.541 120 T HA -0.183 4.179 4.350 0.020 0.000 0.774 120 T C 0.466 175.455 174.700 0.483 0.000 0.992 120 T CA 0.354 62.599 62.100 0.241 0.000 4.077 120 T CB -0.528 68.446 68.868 0.176 0.000 2.303 120 T HN 0.307 nan 8.240 nan 0.000 0.398 121 G N 2.201 111.402 108.800 0.668 0.000 2.630 121 G HA2 0.628 4.600 3.960 0.020 0.000 0.223 121 G HA3 0.628 4.600 3.960 0.020 0.000 0.223 121 G C -0.211 174.793 174.900 0.173 0.000 1.434 121 G CA -0.955 44.367 45.100 0.371 0.000 1.057 121 G HN 0.907 nan 8.290 nan 0.000 0.570 122 L N 0.568 121.826 121.223 0.058 0.000 2.307 122 L HA 0.427 4.779 4.340 0.020 0.000 0.282 122 L C 0.682 177.581 176.870 0.048 0.000 1.051 122 L CA -0.621 54.245 54.840 0.043 0.000 0.804 122 L CB 0.972 43.030 42.059 -0.003 0.000 1.197 122 L HN 0.333 nan 8.230 nan 0.000 0.431 123 I N 2.555 123.161 120.570 0.060 0.000 2.813 123 I HA -0.034 4.148 4.170 0.020 0.000 0.287 123 I C 1.007 177.148 176.117 0.040 0.000 1.196 123 I CA -0.323 61.014 61.300 0.063 0.000 1.421 123 I CB 0.348 38.388 38.000 0.067 0.000 1.365 123 I HN 0.634 nan 8.210 nan 0.000 0.591 124 K N 4.752 125.179 120.400 0.045 0.000 2.472 124 K HA 0.053 4.386 4.320 0.020 0.000 0.280 124 K C 1.024 177.635 176.600 0.018 0.000 1.028 124 K CA 0.147 56.449 56.287 0.025 0.000 1.045 124 K CB 0.290 32.812 32.500 0.037 0.000 0.902 124 K HN 0.823 nan 8.250 nan 0.000 0.478 125 G N 2.934 111.735 108.800 0.003 0.000 2.440 125 G HA2 -0.243 3.730 3.960 0.020 0.000 0.218 125 G HA3 -0.243 3.730 3.960 0.020 0.000 0.218 125 G C 0.367 175.271 174.900 0.006 0.000 1.154 125 G CA 0.225 45.326 45.100 0.001 0.000 0.767 125 G HN 0.674 nan 8.290 nan 0.000 0.552 126 S N 1.383 117.085 115.700 0.003 0.000 3.806 126 S HA 0.473 4.955 4.470 0.020 0.000 0.218 126 S C 0.567 175.176 174.600 0.016 0.000 1.146 126 S CA 0.415 58.618 58.200 0.006 0.000 1.030 126 S CB -0.799 62.402 63.200 0.001 0.000 1.617 126 S HN 1.046 nan 8.310 nan 0.000 0.487 127 G N 0.695 109.506 108.800 0.018 0.000 2.353 127 G HA2 0.215 4.187 3.960 0.020 0.000 0.308 127 G HA3 0.215 4.187 3.960 0.020 0.000 0.308 127 G C -0.406 174.514 174.900 0.032 0.000 1.418 127 G CA -0.619 44.497 45.100 0.027 0.000 0.966 127 G HN 0.335 nan 8.290 nan 0.000 0.638 128 T N -0.306 114.272 114.554 0.040 0.000 2.785 128 T HA 0.271 4.633 4.350 0.020 0.000 0.339 128 T C 2.073 176.802 174.700 0.047 0.000 1.047 128 T CA 1.592 63.720 62.100 0.047 0.000 1.135 128 T CB 0.066 68.977 68.868 0.072 0.000 1.085 128 T HN 2.133 nan 8.240 nan 0.000 0.510 129 A N 3.850 126.693 122.820 0.038 0.000 1.883 129 A HA 0.045 4.378 4.320 0.020 0.000 0.217 129 A C 0.985 178.603 177.584 0.056 0.000 1.186 129 A CA 1.606 53.661 52.037 0.031 0.000 0.624 129 A CB -0.294 18.711 19.000 0.008 0.000 0.822 129 A HN 0.896 nan 8.150 nan 0.000 0.444 130 E N -1.676 118.578 120.200 0.090 0.000 2.317 130 E HA 0.541 4.904 4.350 0.020 0.000 0.270 130 E C -1.535 175.197 176.600 0.220 0.000 0.885 130 E CA -0.796 55.697 56.400 0.154 0.000 0.760 130 E CB 2.591 32.402 29.700 0.184 0.000 1.227 130 E HN 0.034 nan 8.360 nan 0.000 0.434 131 V N 1.830 121.849 119.914 0.177 0.000 2.644 131 V HA 0.178 4.311 4.120 0.020 0.000 0.295 131 V C -0.116 176.007 176.094 0.049 0.000 1.053 131 V CA -0.227 62.141 62.300 0.114 0.000 0.987 131 V CB 1.487 33.350 31.823 0.067 0.000 1.006 131 V HN 0.671 nan 8.190 nan 0.000 0.472 132 E N 4.211 124.347 120.200 -0.107 0.000 2.129 132 E HA 0.331 4.694 4.350 0.020 0.000 0.268 132 E C -1.502 174.934 176.600 -0.273 0.000 0.900 132 E CA -0.781 55.348 56.400 -0.452 0.000 0.755 132 E CB 1.090 30.322 29.700 -0.781 0.000 1.117 132 E HN 0.401 nan 8.360 nan 0.000 0.410 133 L N 5.119 126.202 121.223 -0.234 0.000 2.268 133 L HA 0.322 4.674 4.340 0.020 0.000 0.289 133 L C 0.159 176.932 176.870 -0.162 0.000 1.064 133 L CA 0.031 54.785 54.840 -0.142 0.000 0.824 133 L CB 0.374 42.380 42.059 -0.088 0.000 1.202 133 L HN 0.535 nan 8.230 nan 0.000 0.433 134 K N 2.621 122.939 120.400 -0.137 0.000 2.174 134 K HA 0.231 4.564 4.320 0.020 0.000 0.275 134 K C 0.373 176.928 176.600 -0.075 0.000 1.015 134 K CA -0.945 55.273 56.287 -0.115 0.000 0.933 134 K CB 1.569 34.011 32.500 -0.097 0.000 1.025 134 K HN 0.215 nan 8.250 nan 0.000 0.463 135 K N 1.131 121.494 120.400 -0.062 0.000 2.550 135 K HA -0.119 4.213 4.320 0.020 0.000 0.280 135 K C 0.611 177.187 176.600 -0.039 0.000 0.987 135 K CA 1.402 57.662 56.287 -0.045 0.000 1.048 135 K CB 0.057 32.538 32.500 -0.032 0.000 0.879 135 K HN 0.875 nan 8.250 nan 0.000 0.491 136 G N 1.630 110.408 108.800 -0.036 0.000 2.221 136 G HA2 -0.227 3.745 3.960 0.020 0.000 0.265 136 G HA3 -0.227 3.745 3.960 0.020 0.000 0.265 136 G C -0.018 174.864 174.900 -0.030 0.000 1.041 136 G CA 0.555 45.637 45.100 -0.030 0.000 0.807 136 G HN 0.868 nan 8.290 nan 0.000 0.502 137 A N -0.915 121.883 122.820 -0.036 0.000 2.356 137 A HA 0.925 5.258 4.320 0.020 0.000 0.323 137 A C 0.385 177.950 177.584 -0.030 0.000 1.119 137 A CA 0.303 52.319 52.037 -0.033 0.000 0.790 137 A CB 1.367 20.341 19.000 -0.043 0.000 1.273 137 A HN 0.610 nan 8.150 nan 0.000 0.452 138 T N 0.763 115.303 114.554 -0.023 0.000 2.899 138 T HA 0.560 4.922 4.350 0.020 0.000 0.284 138 T C -0.901 173.787 174.700 -0.018 0.000 1.004 138 T CA 0.171 62.261 62.100 -0.018 0.000 1.043 138 T CB 0.689 69.552 68.868 -0.009 0.000 1.013 138 T HN 0.790 nan 8.240 nan 0.000 0.518 139 L N 2.358 123.573 121.223 -0.014 0.000 2.565 139 L HA 0.544 4.896 4.340 0.020 0.000 0.261 139 L C -1.168 175.702 176.870 -0.000 0.000 0.932 139 L CA -0.640 54.193 54.840 -0.012 0.000 0.878 139 L CB 1.893 43.941 42.059 -0.018 0.000 1.333 139 L HN 0.558 nan 8.230 nan 0.000 0.409 140 K N 5.493 125.892 120.400 -0.001 0.000 2.265 140 K HA 0.664 4.996 4.320 0.020 0.000 0.267 140 K C -1.211 175.397 176.600 0.012 0.000 0.994 140 K CA -0.455 55.846 56.287 0.024 0.000 0.860 140 K CB 0.860 33.361 32.500 0.001 0.000 1.099 140 K HN 0.704 nan 8.250 nan 0.000 0.448 141 I N 4.726 125.316 120.570 0.034 0.000 2.315 141 I HA 0.190 4.372 4.170 0.020 0.000 0.291 141 I C 0.356 176.493 176.117 0.032 0.000 1.006 141 I CA -0.480 60.827 61.300 0.012 0.000 1.265 141 I CB 1.436 39.426 38.000 -0.017 0.000 1.387 141 I HN 0.740 nan 8.210 nan 0.000 0.475 142 T N 3.157 117.718 114.554 0.013 0.000 2.926 142 T HA 0.658 5.020 4.350 0.020 0.000 0.289 142 T C 0.096 174.794 174.700 -0.003 0.000 1.054 142 T CA -0.765 61.357 62.100 0.038 0.000 1.015 142 T CB 1.935 70.810 68.868 0.012 0.000 1.167 142 T HN 0.444 nan 8.240 nan 0.000 0.526 143 L N -0.154 121.097 121.223 0.047 0.000 3.016 143 L HA 0.371 4.723 4.340 0.020 0.000 0.267 143 L C 0.455 177.515 176.870 0.318 0.000 1.182 143 L CA -0.381 54.454 54.840 -0.008 0.000 0.997 143 L CB 0.367 42.386 42.059 -0.067 0.000 1.354 143 L HN 0.648 nan 8.230 nan 0.000 0.569 144 D N 1.036 121.665 120.400 0.382 0.000 2.385 144 D HA -0.041 4.611 4.640 0.020 0.000 0.260 144 D C 0.999 177.558 176.300 0.432 0.000 1.326 144 D CA 0.255 54.483 54.000 0.380 0.000 1.023 144 D CB 0.345 41.380 40.800 0.391 0.000 1.083 144 D HN 0.045 nan 8.370 nan 0.000 0.517 145 N N 2.346 121.258 118.700 0.352 0.000 2.476 145 N HA -0.241 4.511 4.740 0.020 0.000 0.196 145 N C 1.491 176.950 175.510 -0.084 0.000 1.024 145 N CA 1.207 54.334 53.050 0.129 0.000 0.909 145 N CB 0.031 38.590 38.487 0.120 0.000 0.947 145 N HN 0.507 nan 8.380 nan 0.000 0.450 146 A N -0.576 122.238 122.820 -0.011 0.000 1.897 146 A HA -0.076 4.256 4.320 0.020 0.000 0.215 146 A C 1.316 178.727 177.584 -0.288 0.000 1.181 146 A CA 0.870 52.804 52.037 -0.172 0.000 0.620 146 A CB -0.579 18.289 19.000 -0.221 0.000 0.821 146 A HN 0.396 nan 8.150 nan 0.000 0.443 147 Y N -0.698 119.551 120.300 -0.084 0.000 2.502 147 Y HA 0.129 4.691 4.550 0.020 0.000 0.295 147 Y C 2.022 177.773 175.900 -0.249 0.000 1.193 147 Y CA 0.412 58.466 58.100 -0.076 0.000 1.295 147 Y CB -0.438 38.058 38.460 0.060 0.000 1.059 147 Y HN 0.356 nan 8.280 nan 0.000 0.514 148 M N 0.367 119.669 119.600 -0.495 0.000 2.252 148 M HA -0.287 4.206 4.480 0.020 0.000 0.257 148 M C 0.209 176.164 176.300 -0.575 0.000 1.077 148 M CA 2.087 56.729 55.300 -1.096 0.000 1.066 148 M CB 0.090 32.071 32.600 -1.032 0.000 1.380 148 M HN 0.285 nan 8.290 nan 0.000 0.412 149 E N -1.187 118.842 120.200 -0.285 0.000 3.191 149 E HA 0.142 4.505 4.350 0.020 0.000 0.192 149 E C -0.132 176.430 176.600 -0.064 0.000 0.972 149 E CA 0.016 56.326 56.400 -0.149 0.000 1.266 149 E CB 0.693 30.305 29.700 -0.146 0.000 1.076 149 E HN 0.319 nan 8.360 nan 0.000 0.462 150 K N 0.639 121.034 120.400 -0.008 0.000 3.165 150 K HA 0.306 4.638 4.320 0.020 0.000 0.206 150 K C -0.165 176.522 176.600 0.144 0.000 1.123 150 K CA -0.370 55.948 56.287 0.052 0.000 0.978 150 K CB -0.792 31.715 32.500 0.012 0.000 0.749 150 K HN 0.148 nan 8.250 nan 0.000 0.454 151 C N 2.367 121.743 119.300 0.125 0.000 2.656 151 C HA 0.753 5.225 4.460 0.020 0.000 0.391 151 C C 0.252 175.304 174.990 0.104 0.000 1.300 151 C CA 0.098 59.200 59.018 0.140 0.000 2.302 151 C CB 0.265 28.092 27.740 0.144 0.000 2.655 151 C HN 0.926 nan 8.230 nan 0.000 0.656 152 D N -0.528 119.924 120.400 0.086 0.000 2.769 152 D HA 0.111 4.763 4.640 0.020 0.000 0.309 152 D C -0.141 176.182 176.300 0.038 0.000 1.315 152 D CA -0.621 53.416 54.000 0.062 0.000 0.780 152 D CB -0.083 40.754 40.800 0.062 0.000 1.312 152 D HN 0.351 nan 8.370 nan 0.000 0.437 153 E N -0.207 120.007 120.200 0.022 0.000 2.393 153 E HA -0.091 4.272 4.350 0.020 0.000 0.201 153 E C 0.832 177.430 176.600 -0.003 0.000 1.025 153 E CA 1.405 57.804 56.400 -0.000 0.000 0.856 153 E CB -0.279 29.414 29.700 -0.011 0.000 0.771 153 E HN 0.345 nan 8.360 nan 0.000 0.526 154 N N -0.403 118.299 118.700 0.003 0.000 2.511 154 N HA 0.082 4.834 4.740 0.020 0.000 0.190 154 N C 0.128 175.621 175.510 -0.029 0.000 1.037 154 N CA 0.312 53.355 53.050 -0.011 0.000 0.895 154 N CB 0.664 39.146 38.487 -0.008 0.000 1.149 154 N HN 0.056 nan 8.380 nan 0.000 0.437 155 I N 1.826 122.378 120.570 -0.031 0.000 2.404 155 I HA 0.297 4.479 4.170 0.020 0.000 0.293 155 I C -0.872 175.255 176.117 0.016 0.000 0.992 155 I CA -0.709 60.546 61.300 -0.075 0.000 1.149 155 I CB 1.909 39.769 38.000 -0.234 0.000 1.315 155 I HN -0.028 nan 8.210 nan 0.000 0.446 156 L N 8.058 129.300 121.223 0.033 0.000 2.406 156 L HA 0.426 4.778 4.340 0.020 0.000 0.270 156 L C -1.248 175.715 176.870 0.154 0.000 0.982 156 L CA -0.295 54.606 54.840 0.101 0.000 0.843 156 L CB 1.457 43.553 42.059 0.061 0.000 1.225 156 L HN 0.602 nan 8.230 nan 0.000 0.412 157 W N 6.399 127.723 121.300 0.039 0.000 2.316 157 W HA 0.626 5.298 4.660 0.021 0.000 0.321 157 W C -1.487 175.068 176.519 0.059 0.000 1.203 157 W CA -0.335 57.044 57.345 0.056 0.000 1.214 157 W CB 1.000 30.517 29.460 0.096 0.000 1.169 157 W HN 0.457 nan 8.180 nan 0.000 0.561 158 L N 4.869 125.574 121.223 -0.862 0.000 2.301 158 L HA 0.286 4.638 4.340 0.020 0.000 0.264 158 L C 0.602 176.527 176.870 -1.575 0.000 1.016 158 L CA -0.437 53.891 54.840 -0.854 0.000 0.821 158 L CB 1.886 43.716 42.059 -0.382 0.000 1.346 158 L HN 0.609 nan 8.230 nan 0.000 0.429 159 D N -0.919 118.960 120.400 -0.868 0.000 2.388 159 D HA -0.024 4.628 4.640 0.020 0.000 0.221 159 D C -0.418 175.789 176.300 -0.155 0.000 1.133 159 D CA 0.054 53.730 54.000 -0.541 0.000 0.831 159 D CB -0.239 40.509 40.800 -0.086 0.000 0.962 159 D HN 0.229 nan 8.370 nan 0.000 0.502 160 Y N 1.929 122.042 120.300 -0.312 0.000 2.587 160 Y HA 0.355 4.918 4.550 0.021 0.000 0.328 160 Y C 0.961 176.759 175.900 -0.170 0.000 0.980 160 Y CA -1.625 56.364 58.100 -0.186 0.000 1.272 160 Y CB 0.799 39.164 38.460 -0.159 0.000 1.094 160 Y HN -0.266 nan 8.280 nan 0.000 0.503 161 K N 2.458 122.732 120.400 -0.210 0.000 2.032 161 K HA -0.199 4.133 4.320 0.020 0.000 0.209 161 K C 0.950 177.288 176.600 -0.437 0.000 1.048 161 K CA 2.044 58.173 56.287 -0.263 0.000 0.927 161 K CB 0.097 32.535 32.500 -0.103 0.000 0.712 161 K HN 0.514 nan 8.250 nan 0.000 0.441 162 N N 1.094 119.399 118.700 -0.658 0.000 2.515 162 N HA 0.022 4.774 4.740 0.020 0.000 0.185 162 N C 1.392 176.436 175.510 -0.776 0.000 1.109 162 N CA 0.078 52.779 53.050 -0.581 0.000 0.903 162 N CB -0.094 38.203 38.487 -0.318 0.000 0.969 162 N HN 0.152 nan 8.380 nan 0.000 0.450 163 I N 0.098 119.880 120.570 -1.314 0.000 2.188 163 I HA -0.527 3.655 4.170 0.020 0.000 0.246 163 I C 1.296 177.245 176.117 -0.281 0.000 1.033 163 I CA 1.408 62.288 61.300 -0.699 0.000 1.307 163 I CB -0.149 37.636 38.000 -0.358 0.000 1.005 163 I HN 0.249 nan 8.210 nan 0.000 0.421 164 C N 0.763 119.907 119.300 -0.259 0.000 2.411 164 C HA -0.168 4.304 4.460 0.020 0.000 0.279 164 C C 2.455 177.366 174.990 -0.132 0.000 1.288 164 C CA 1.195 60.110 59.018 -0.172 0.000 1.764 164 C CB -1.213 26.429 27.740 -0.162 0.000 1.974 164 C HN 0.496 nan 8.230 nan 0.000 0.498 165 K N 0.663 120.983 120.400 -0.132 0.000 2.418 165 K HA 0.010 4.342 4.320 0.020 0.000 0.195 165 K C 1.542 178.115 176.600 -0.045 0.000 1.035 165 K CA 1.091 57.328 56.287 -0.082 0.000 1.003 165 K CB -0.011 32.445 32.500 -0.074 0.000 0.793 165 K HN 0.604 nan 8.250 nan 0.000 0.494 166 V N -1.840 118.057 119.914 -0.029 0.000 3.643 166 V HA 0.110 4.242 4.120 0.020 0.000 0.280 166 V C 0.670 176.771 176.094 0.011 0.000 1.351 166 V CA -0.541 61.770 62.300 0.020 0.000 1.073 166 V CB -0.105 31.779 31.823 0.101 0.000 0.863 166 V HN -0.015 nan 8.190 nan 0.000 0.436 167 V N -1.664 118.241 119.914 -0.015 0.000 2.994 167 V HA 0.844 4.976 4.120 0.020 0.000 0.318 167 V C -1.028 175.039 176.094 -0.044 0.000 1.085 167 V CA -0.426 61.861 62.300 -0.021 0.000 0.998 167 V CB 1.938 33.745 31.823 -0.027 0.000 1.063 167 V HN 0.264 nan 8.190 nan 0.000 0.447 168 D N 0.173 120.548 120.400 -0.043 0.000 2.559 168 D HA 0.400 5.052 4.640 0.020 0.000 0.250 168 D C -0.796 175.470 176.300 -0.056 0.000 1.135 168 D CA -0.415 53.554 54.000 -0.052 0.000 0.955 168 D CB 2.218 42.995 40.800 -0.039 0.000 1.442 168 D HN 0.736 nan 8.370 nan 0.000 0.471 169 V N 0.682 120.560 119.914 -0.061 0.000 2.617 169 V HA 0.365 4.497 4.120 0.020 0.000 0.304 169 V C 1.313 177.380 176.094 -0.046 0.000 1.040 169 V CA 2.041 64.305 62.300 -0.059 0.000 1.149 169 V CB 0.092 31.881 31.823 -0.057 0.000 0.914 169 V HN 0.894 nan 8.190 nan 0.000 0.487 170 G N 4.080 112.853 108.800 -0.045 0.000 2.279 170 G HA2 -0.239 3.733 3.960 0.020 0.000 0.223 170 G HA3 -0.239 3.733 3.960 0.020 0.000 0.223 170 G C 0.536 175.415 174.900 -0.036 0.000 1.015 170 G CA 0.188 45.265 45.100 -0.037 0.000 0.621 170 G HN 1.160 nan 8.290 nan 0.000 0.506 171 S N 2.109 117.788 115.700 -0.035 0.000 2.558 171 S HA 0.425 4.907 4.470 0.020 0.000 0.287 171 S C 0.398 174.973 174.600 -0.041 0.000 1.321 171 S CA 0.211 58.395 58.200 -0.026 0.000 1.048 171 S CB 0.866 64.052 63.200 -0.023 0.000 0.844 171 S HN 0.427 nan 8.310 nan 0.000 0.512 172 K N 1.757 122.138 120.400 -0.032 0.000 2.138 172 K HA 0.555 4.887 4.320 0.020 0.000 0.263 172 K C -0.947 175.602 176.600 -0.085 0.000 0.965 172 K CA -0.596 55.632 56.287 -0.098 0.000 0.868 172 K CB 1.620 34.057 32.500 -0.104 0.000 1.083 172 K HN 0.336 nan 8.250 nan 0.000 0.443 173 V N 3.346 123.156 119.914 -0.174 0.000 2.487 173 V HA 0.338 4.470 4.120 0.020 0.000 0.298 173 V C -1.122 174.861 176.094 -0.186 0.000 1.028 173 V CA -0.988 61.262 62.300 -0.084 0.000 0.860 173 V CB 0.947 32.739 31.823 -0.051 0.000 0.991 173 V HN 0.554 nan 8.190 nan 0.000 0.427 174 Y N 3.001 123.309 120.300 0.014 0.000 2.360 174 Y HA 0.740 5.302 4.550 0.021 0.000 0.337 174 Y C 0.167 176.083 175.900 0.027 0.000 1.039 174 Y CA -0.610 57.503 58.100 0.022 0.000 1.109 174 Y CB 2.058 40.535 38.460 0.028 0.000 1.201 174 Y HN 0.415 nan 8.280 nan 0.000 0.458 175 V N 1.049 121.061 119.914 0.164 0.000 3.074 175 V HA 0.202 4.334 4.120 0.020 0.000 0.314 175 V C -0.661 175.509 176.094 0.127 0.000 1.117 175 V CA -1.569 60.803 62.300 0.120 0.000 1.014 175 V CB 1.928 33.797 31.823 0.076 0.000 1.057 175 V HN 0.845 nan 8.190 nan 0.000 0.438 176 D N 2.759 123.231 120.400 0.120 0.000 6.372 176 D HA -0.219 4.433 4.640 0.020 0.000 0.176 176 D C 0.166 176.535 176.300 0.115 0.000 1.233 176 D CA 1.272 55.340 54.000 0.114 0.000 0.829 176 D CB -0.827 40.037 40.800 0.107 0.000 1.370 176 D HN 0.772 nan 8.370 nan 0.000 0.761 177 D N 1.136 121.603 120.400 0.112 0.000 2.835 177 D HA -0.131 4.521 4.640 0.020 0.000 0.230 177 D C 1.066 177.420 176.300 0.090 0.000 1.130 177 D CA 1.195 55.250 54.000 0.091 0.000 0.738 177 D CB -1.879 38.970 40.800 0.082 0.000 1.090 177 D HN 1.022 nan 8.370 nan 0.000 0.433 178 G N 0.317 109.193 108.800 0.127 0.000 2.263 178 G HA2 -0.262 3.710 3.960 0.020 0.000 0.266 178 G HA3 -0.262 3.710 3.960 0.020 0.000 0.266 178 G C 1.181 176.206 174.900 0.208 0.000 0.817 178 G CA 0.846 46.087 45.100 0.235 0.000 1.111 178 G HN 0.573 nan 8.290 nan 0.000 0.445 179 L N -1.045 120.277 121.223 0.164 0.000 2.307 179 L HA 0.331 4.683 4.340 0.020 0.000 0.211 179 L C 1.409 178.357 176.870 0.131 0.000 1.099 179 L CA 0.476 55.396 54.840 0.134 0.000 0.816 179 L CB 0.094 42.217 42.059 0.107 0.000 0.952 179 L HN 0.332 nan 8.230 nan 0.000 0.455 180 I N -0.836 119.813 120.570 0.131 0.000 2.433 180 I HA 0.181 4.364 4.170 0.020 0.000 0.292 180 I C -0.114 176.012 176.117 0.014 0.000 1.001 180 I CA -0.226 61.112 61.300 0.064 0.000 1.119 180 I CB 2.048 40.075 38.000 0.044 0.000 1.289 180 I HN -0.137 nan 8.210 nan 0.000 0.438 181 S N 7.565 123.213 115.700 -0.088 0.000 2.482 181 S HA 0.784 5.266 4.470 0.020 0.000 0.303 181 S C -0.994 173.471 174.600 -0.225 0.000 1.091 181 S CA -0.568 57.454 58.200 -0.298 0.000 1.057 181 S CB 0.879 63.869 63.200 -0.349 0.000 1.031 181 S HN 0.492 nan 8.310 nan 0.000 0.485 182 L N 3.456 124.524 121.223 -0.259 0.000 2.370 182 L HA 0.616 4.968 4.340 0.020 0.000 0.266 182 L C -0.505 176.269 176.870 -0.160 0.000 1.002 182 L CA -0.768 53.977 54.840 -0.159 0.000 0.818 182 L CB 2.188 44.183 42.059 -0.106 0.000 1.325 182 L HN 0.701 nan 8.230 nan 0.000 0.418 183 Q N 1.756 121.490 119.800 -0.110 0.000 2.327 183 Q HA 0.433 4.785 4.340 0.020 0.000 0.270 183 Q C -1.338 174.621 176.000 -0.070 0.000 1.022 183 Q CA -0.667 55.082 55.803 -0.091 0.000 0.773 183 Q CB 2.199 30.891 28.738 -0.077 0.000 1.251 183 Q HN 0.486 nan 8.270 nan 0.000 0.457 184 V N 5.440 125.313 119.914 -0.068 0.000 2.540 184 V HA -0.035 4.097 4.120 0.020 0.000 0.297 184 V C 0.610 176.667 176.094 -0.062 0.000 1.024 184 V CA 0.462 62.721 62.300 -0.068 0.000 1.105 184 V CB 0.571 32.350 31.823 -0.074 0.000 0.938 184 V HN 0.837 nan 8.190 nan 0.000 0.482 185 K N 3.100 123.464 120.400 -0.060 0.000 2.367 185 K HA 0.190 4.522 4.320 0.020 0.000 0.198 185 K C 0.557 177.121 176.600 -0.061 0.000 1.132 185 K CA 0.349 56.605 56.287 -0.051 0.000 0.941 185 K CB 0.555 33.033 32.500 -0.036 0.000 1.052 185 K HN 0.698 nan 8.250 nan 0.000 0.507 186 Q N 1.229 120.980 119.800 -0.082 0.000 2.292 186 Q HA 0.211 4.563 4.340 0.020 0.000 0.270 186 Q C -1.183 174.691 176.000 -0.211 0.000 1.024 186 Q CA -0.310 55.424 55.803 -0.114 0.000 0.768 186 Q CB 1.901 30.593 28.738 -0.077 0.000 1.250 186 Q HN -0.109 nan 8.270 nan 0.000 0.447 187 K N 3.319 123.587 120.400 -0.219 0.000 2.363 187 K HA 0.322 4.654 4.320 0.020 0.000 0.240 187 K C -0.286 176.081 176.600 -0.389 0.000 1.169 187 K CA -0.222 55.897 56.287 -0.280 0.000 1.131 187 K CB 0.025 32.418 32.500 -0.177 0.000 1.771 187 K HN 0.751 nan 8.250 nan 0.000 0.380 188 G N 2.942 111.291 108.800 -0.752 0.000 2.442 188 G HA2 0.147 4.119 3.960 0.020 0.000 0.249 188 G HA3 0.147 4.119 3.960 0.020 0.000 0.249 188 G C -2.519 172.016 174.900 -0.608 0.000 1.263 188 G CA -1.167 43.391 45.100 -0.904 0.000 0.846 188 G HN 0.360 nan 8.290 nan 0.000 0.555 189 P HA 0.112 nan 4.420 nan 0.000 0.261 189 P C 0.126 177.483 177.300 0.095 0.000 1.203 189 P CA 0.823 63.903 63.100 -0.034 0.000 0.767 189 P CB 0.623 32.341 31.700 0.030 0.000 0.785 190 D N 1.827 122.245 120.400 0.029 0.000 2.981 190 D HA -0.184 4.468 4.640 0.020 0.000 0.203 190 D C -0.517 175.902 176.300 0.198 0.000 1.049 190 D CA 1.498 55.554 54.000 0.093 0.000 1.003 190 D CB -1.470 39.407 40.800 0.129 0.000 1.085 190 D HN 0.353 nan 8.370 nan 0.000 0.432 191 F N -1.809 118.105 119.950 -0.061 0.000 2.741 191 F HA 0.704 5.244 4.527 0.021 0.000 0.313 191 F C -2.111 173.649 175.800 -0.066 0.000 1.153 191 F CA -1.382 56.578 58.000 -0.067 0.000 0.931 191 F CB 0.906 39.871 39.000 -0.058 0.000 1.335 191 F HN -0.171 nan 8.300 nan 0.000 0.460 192 L N 2.917 124.108 121.223 -0.055 0.000 2.439 192 L HA 0.546 4.898 4.340 0.020 0.000 0.270 192 L C -0.911 175.960 176.870 0.001 0.000 0.972 192 L CA -0.861 53.879 54.840 -0.166 0.000 0.836 192 L CB 1.555 43.545 42.059 -0.115 0.000 1.255 192 L HN 0.676 nan 8.230 nan 0.000 0.404 193 V N 2.981 122.875 119.914 -0.033 0.000 2.383 193 V HA 0.638 4.770 4.120 0.020 0.000 0.275 193 V C 0.705 176.789 176.094 -0.017 0.000 1.036 193 V CA -0.234 62.093 62.300 0.046 0.000 0.889 193 V CB 1.557 33.431 31.823 0.086 0.000 0.985 193 V HN 0.971 nan 8.190 nan 0.000 0.459 194 T N 1.615 116.160 114.554 -0.015 0.000 2.807 194 T HA 0.713 5.075 4.350 0.020 0.000 0.277 194 T C -0.709 173.972 174.700 -0.032 0.000 1.006 194 T CA -0.780 61.299 62.100 -0.035 0.000 1.006 194 T CB 2.422 71.263 68.868 -0.046 0.000 1.274 194 T HN 0.623 nan 8.240 nan 0.000 0.569 195 E N 0.143 120.316 120.200 -0.044 0.000 2.256 195 E HA 0.484 4.847 4.350 0.020 0.000 0.268 195 E C -1.288 175.279 176.600 -0.056 0.000 0.877 195 E CA -1.053 55.322 56.400 -0.042 0.000 0.757 195 E CB 2.543 32.220 29.700 -0.039 0.000 1.183 195 E HN 0.624 nan 8.360 nan 0.000 0.418 196 V N 4.920 124.802 119.914 -0.054 0.000 2.470 196 V HA 0.118 4.250 4.120 0.020 0.000 0.276 196 V C 0.428 176.484 176.094 -0.063 0.000 1.040 196 V CA 0.703 62.965 62.300 -0.064 0.000 1.008 196 V CB 1.100 32.886 31.823 -0.061 0.000 0.990 196 V HN 0.882 nan 8.190 nan 0.000 0.477 197 E N 4.372 124.525 120.200 -0.078 0.000 2.057 197 E HA 0.126 4.488 4.350 0.020 0.000 0.191 197 E C 0.315 176.884 176.600 -0.051 0.000 0.959 197 E CA 0.359 56.719 56.400 -0.067 0.000 0.828 197 E CB 0.203 29.849 29.700 -0.089 0.000 0.800 197 E HN 0.792 nan 8.360 nan 0.000 0.460 198 N N -0.497 118.170 118.700 -0.056 0.000 2.938 198 N HA 0.316 5.068 4.740 0.020 0.000 0.335 198 N C 0.424 175.921 175.510 -0.021 0.000 1.358 198 N CA 0.425 53.463 53.050 -0.021 0.000 0.812 198 N CB 0.527 39.021 38.487 0.012 0.000 1.233 198 N HN 0.233 nan 8.380 nan 0.000 0.593 199 G N -1.468 107.337 108.800 0.009 0.000 2.749 199 G HA2 0.018 3.991 3.960 0.020 0.000 0.242 199 G HA3 0.018 3.991 3.960 0.020 0.000 0.242 199 G C 0.294 175.176 174.900 -0.031 0.000 1.364 199 G CA 0.423 45.532 45.100 0.013 0.000 0.888 199 G HN 0.919 nan 8.290 nan 0.000 0.566 200 G N -2.074 106.697 108.800 -0.049 0.000 3.302 200 G HA2 0.486 4.459 3.960 0.020 0.000 0.137 200 G HA3 0.486 4.459 3.960 0.020 0.000 0.137 200 G C -0.203 174.495 174.900 -0.337 0.000 1.353 200 G CA 0.144 45.115 45.100 -0.214 0.000 0.965 200 G HN 0.875 nan 8.290 nan 0.000 0.564 201 F N 2.327 122.294 119.950 0.028 0.000 2.424 201 F HA 0.620 5.159 4.527 0.020 0.000 0.356 201 F C 0.158 175.980 175.800 0.036 0.000 1.110 201 F CA -0.596 57.422 58.000 0.030 0.000 1.161 201 F CB 1.755 40.771 39.000 0.027 0.000 1.115 201 F HN 0.008 nan 8.300 nan 0.000 0.507 202 L N 4.043 125.371 121.223 0.174 0.000 2.322 202 L HA 0.737 5.089 4.340 0.020 0.000 0.281 202 L C -0.040 176.912 176.870 0.136 0.000 1.014 202 L CA 0.027 54.945 54.840 0.129 0.000 0.815 202 L CB 1.062 43.168 42.059 0.078 0.000 1.247 202 L HN 0.701 nan 8.230 nan 0.000 0.421 203 G N 2.952 111.823 108.800 0.118 0.000 2.971 203 G HA2 0.491 4.463 3.960 0.020 0.000 0.235 203 G HA3 0.491 4.463 3.960 0.020 0.000 0.235 203 G C -0.880 174.077 174.900 0.095 0.000 1.351 203 G CA -0.431 44.728 45.100 0.099 0.000 1.039 203 G HN 0.613 nan 8.290 nan 0.000 0.563 204 S N 0.484 116.232 115.700 0.080 0.000 2.586 204 S HA 0.399 4.881 4.470 0.020 0.000 0.274 204 S C -0.265 174.397 174.600 0.104 0.000 1.281 204 S CA -0.517 57.735 58.200 0.088 0.000 1.035 204 S CB 1.118 64.354 63.200 0.060 0.000 0.962 204 S HN 0.482 nan 8.310 nan 0.000 0.512 205 K N 1.364 121.847 120.400 0.138 0.000 4.040 205 K HA -0.134 4.198 4.320 0.020 0.000 0.279 205 K C -0.725 175.969 176.600 0.156 0.000 0.890 205 K CA 0.684 57.071 56.287 0.166 0.000 0.782 205 K CB -0.980 31.618 32.500 0.162 0.000 1.613 205 K HN 0.446 nan 8.250 nan 0.000 0.440 206 K N -0.113 120.374 120.400 0.144 0.000 2.118 206 K HA 0.415 4.748 4.320 0.020 0.000 0.254 206 K C 0.859 177.534 176.600 0.125 0.000 0.961 206 K CA -0.392 55.974 56.287 0.130 0.000 0.876 206 K CB 1.360 33.929 32.500 0.115 0.000 1.077 206 K HN 0.379 nan 8.250 nan 0.000 0.440 207 G N 0.360 109.234 108.800 0.124 0.000 2.441 207 G HA2 0.353 4.326 3.960 0.020 0.000 0.243 207 G HA3 0.353 4.326 3.960 0.020 0.000 0.243 207 G C -0.599 174.359 174.900 0.096 0.000 1.281 207 G CA -0.310 44.856 45.100 0.111 0.000 0.854 207 G HN 0.205 nan 8.290 nan 0.000 0.560 208 V N 2.655 122.610 119.914 0.068 0.000 2.588 208 V HA 0.392 4.524 4.120 0.020 0.000 0.304 208 V C -0.621 175.503 176.094 0.050 0.000 1.042 208 V CA -1.053 61.286 62.300 0.065 0.000 0.877 208 V CB 2.025 33.869 31.823 0.035 0.000 0.996 208 V HN 0.773 nan 8.190 nan 0.000 0.425 209 N N 3.748 122.510 118.700 0.105 0.000 2.296 209 N HA 0.686 5.438 4.740 0.020 0.000 0.294 209 N C -1.276 174.318 175.510 0.140 0.000 1.033 209 N CA -0.533 52.573 53.050 0.094 0.000 0.839 209 N CB 2.015 40.558 38.487 0.093 0.000 1.395 209 N HN 0.414 nan 8.380 nan 0.000 0.479 210 L N 3.843 125.109 121.223 0.073 0.000 2.504 210 L HA 0.429 4.782 4.340 0.020 0.000 0.249 210 L C -1.601 175.315 176.870 0.076 0.000 1.120 210 L CA -1.811 53.079 54.840 0.083 0.000 0.997 210 L CB 0.776 42.862 42.059 0.046 0.000 1.349 210 L HN 0.482 nan 8.230 nan 0.000 0.439 211 P HA -0.179 nan 4.420 nan 0.000 0.216 211 P C 1.434 178.765 177.300 0.052 0.000 1.167 211 P CA 1.499 64.646 63.100 0.078 0.000 0.914 211 P CB 0.349 32.112 31.700 0.105 0.000 0.793 212 G N -1.896 106.938 108.800 0.056 0.000 2.920 212 G HA2 0.281 4.253 3.960 0.020 0.000 0.208 212 G HA3 0.281 4.253 3.960 0.020 0.000 0.208 212 G C 0.510 175.415 174.900 0.008 0.000 1.159 212 G CA 0.438 45.550 45.100 0.019 0.000 0.784 212 G HN 0.495 nan 8.290 nan 0.000 0.535 213 A N -0.320 122.511 122.820 0.019 0.000 2.256 213 A HA 0.804 5.137 4.320 0.020 0.000 0.318 213 A C 0.281 177.870 177.584 0.009 0.000 1.103 213 A CA -0.008 52.039 52.037 0.017 0.000 0.860 213 A CB 1.163 20.185 19.000 0.036 0.000 1.182 213 A HN 0.785 nan 8.150 nan 0.000 0.501 214 A N 0.864 123.693 122.820 0.014 0.000 2.969 214 A HA 0.523 4.855 4.320 0.020 0.000 0.328 214 A C -0.192 177.400 177.584 0.014 0.000 1.355 214 A CA -0.383 51.659 52.037 0.008 0.000 1.018 214 A CB -0.637 18.369 19.000 0.010 0.000 1.159 214 A HN 0.894 nan 8.150 nan 0.000 0.505 215 V N 2.879 122.774 119.914 -0.031 0.000 2.486 215 V HA -0.098 4.034 4.120 0.020 0.000 0.290 215 V C 0.971 177.026 176.094 -0.065 0.000 0.991 215 V CA 1.135 63.372 62.300 -0.104 0.000 1.142 215 V CB -0.321 31.320 31.823 -0.304 0.000 0.926 215 V HN 0.929 nan 8.190 nan 0.000 0.472 216 D N 3.872 124.305 120.400 0.056 0.000 2.338 216 D HA 0.025 4.677 4.640 0.020 0.000 0.239 216 D C 0.431 176.750 176.300 0.032 0.000 1.095 216 D CA -0.025 54.009 54.000 0.056 0.000 0.888 216 D CB -0.156 40.703 40.800 0.098 0.000 0.899 216 D HN 0.494 nan 8.370 nan 0.000 0.525 217 L N 0.834 122.014 121.223 -0.071 0.000 2.473 217 L HA 0.230 4.582 4.340 0.020 0.000 0.268 217 L C -1.497 175.346 176.870 -0.045 0.000 1.215 217 L CA -1.636 53.159 54.840 -0.075 0.000 0.823 217 L CB -0.057 41.862 42.059 -0.234 0.000 1.099 217 L HN 0.003 nan 8.230 nan 0.000 0.483 218 P HA 0.060 nan 4.420 nan 0.000 0.275 218 P C -0.166 177.133 177.300 -0.003 0.000 1.228 218 P CA -0.317 62.783 63.100 0.000 0.000 0.786 218 P CB 1.238 32.947 31.700 0.016 0.000 0.927 219 A N 3.252 126.080 122.820 0.013 0.000 1.873 219 A HA -0.010 4.322 4.320 0.020 0.000 0.215 219 A C 1.029 178.636 177.584 0.038 0.000 1.186 219 A CA 1.387 53.441 52.037 0.029 0.000 0.616 219 A CB -0.651 18.368 19.000 0.032 0.000 0.823 219 A HN 0.431 nan 8.150 nan 0.000 0.442 220 V N 1.734 121.668 119.914 0.033 0.000 2.284 220 V HA 0.317 4.449 4.120 0.020 0.000 0.274 220 V C 0.274 176.389 176.094 0.035 0.000 1.023 220 V CA -0.239 62.083 62.300 0.037 0.000 0.808 220 V CB 0.543 32.388 31.823 0.036 0.000 1.035 220 V HN 0.568 nan 8.190 nan 0.000 0.445 221 S N 2.349 118.071 115.700 0.036 0.000 2.634 221 S HA 0.264 4.746 4.470 0.020 0.000 0.261 221 S C 1.176 175.802 174.600 0.044 0.000 1.271 221 S CA 0.026 58.248 58.200 0.036 0.000 0.985 221 S CB 1.465 64.685 63.200 0.033 0.000 0.968 221 S HN 0.627 nan 8.310 nan 0.000 0.568 222 E N 1.239 121.465 120.200 0.044 0.000 2.049 222 E HA -0.227 4.135 4.350 0.020 0.000 0.198 222 E C 1.810 178.444 176.600 0.057 0.000 1.007 222 E CA 1.799 58.227 56.400 0.047 0.000 0.809 222 E CB -0.423 29.303 29.700 0.043 0.000 0.749 222 E HN 0.644 nan 8.360 nan 0.000 0.450 223 K N 0.343 120.779 120.400 0.059 0.000 2.074 223 K HA -0.192 4.141 4.320 0.020 0.000 0.209 223 K C 1.631 178.290 176.600 0.099 0.000 1.048 223 K CA 1.906 58.239 56.287 0.075 0.000 0.926 223 K CB -0.480 32.064 32.500 0.073 0.000 0.713 223 K HN 0.240 nan 8.250 nan 0.000 0.444 224 D N 0.640 121.087 120.400 0.079 0.000 2.097 224 D HA -0.134 4.518 4.640 0.020 0.000 0.195 224 D C 2.107 178.443 176.300 0.060 0.000 0.989 224 D CA 0.995 55.035 54.000 0.067 0.000 0.827 224 D CB -0.295 40.536 40.800 0.052 0.000 0.966 224 D HN 0.272 nan 8.370 nan 0.000 0.456 225 I N 0.996 121.602 120.570 0.060 0.000 2.248 225 I HA -0.311 3.871 4.170 0.020 0.000 0.248 225 I C 2.403 178.570 176.117 0.083 0.000 1.107 225 I CA 1.264 62.599 61.300 0.058 0.000 1.373 225 I CB -0.285 37.748 38.000 0.053 0.000 1.055 225 I HN 0.035 nan 8.210 nan 0.000 0.418 226 Q N 0.259 120.129 119.800 0.115 0.000 2.123 226 Q HA -0.175 4.177 4.340 0.020 0.000 0.199 226 Q C 1.756 177.915 176.000 0.265 0.000 0.966 226 Q CA 1.227 57.142 55.803 0.186 0.000 0.845 226 Q CB -0.055 28.787 28.738 0.173 0.000 0.907 226 Q HN 0.514 nan 8.270 nan 0.000 0.439 227 D N 0.877 121.405 120.400 0.213 0.000 2.117 227 D HA -0.121 4.532 4.640 0.020 0.000 0.198 227 D C 2.001 178.251 176.300 -0.083 0.000 0.982 227 D CA 0.917 54.967 54.000 0.084 0.000 0.828 227 D CB -0.092 40.699 40.800 -0.016 0.000 0.967 227 D HN 0.212 nan 8.370 nan 0.000 0.464 228 L N 0.401 121.590 121.223 -0.057 0.000 2.017 228 L HA -0.175 4.177 4.340 0.020 0.000 0.208 228 L C 2.421 179.271 176.870 -0.033 0.000 1.073 228 L CA 1.011 55.803 54.840 -0.079 0.000 0.745 228 L CB -0.265 41.769 42.059 -0.040 0.000 0.894 228 L HN -0.098 nan 8.230 nan 0.000 0.432 229 K N -0.147 120.273 120.400 0.034 0.000 2.044 229 K HA -0.240 4.092 4.320 0.020 0.000 0.210 229 K C 1.881 178.510 176.600 0.049 0.000 1.049 229 K CA 1.671 57.989 56.287 0.052 0.000 0.927 229 K CB -0.589 31.971 32.500 0.099 0.000 0.713 229 K HN 0.113 nan 8.250 nan 0.000 0.443 230 F N 0.326 120.231 119.950 -0.075 0.000 2.126 230 F HA -0.103 4.436 4.527 0.020 0.000 0.299 230 F C 1.952 177.660 175.800 -0.153 0.000 1.096 230 F CA 1.927 59.844 58.000 -0.138 0.000 1.255 230 F CB -0.757 38.012 39.000 -0.385 0.000 0.997 230 F HN 0.088 nan 8.300 nan 0.000 0.479 231 G N -0.049 108.634 108.800 -0.195 0.000 2.421 231 G HA2 -0.214 3.758 3.960 0.020 0.000 0.216 231 G HA3 -0.214 3.758 3.960 0.020 0.000 0.216 231 G C 1.759 176.520 174.900 -0.232 0.000 1.171 231 G CA 1.251 46.191 45.100 -0.265 0.000 0.775 231 G HN 0.336 nan 8.290 nan 0.000 0.543 232 V N 0.800 120.620 119.914 -0.156 0.000 2.287 232 V HA -0.189 3.943 4.120 0.020 0.000 0.248 232 V C 2.717 178.727 176.094 -0.141 0.000 1.053 232 V CA 2.301 64.533 62.300 -0.113 0.000 1.027 232 V CB -0.482 31.302 31.823 -0.065 0.000 0.646 232 V HN 0.343 nan 8.190 nan 0.000 0.447 233 E N 0.253 120.348 120.200 -0.176 0.000 2.058 233 E HA -0.213 4.149 4.350 0.020 0.000 0.194 233 E C 2.227 178.670 176.600 -0.261 0.000 0.997 233 E CA 1.430 57.715 56.400 -0.191 0.000 0.801 233 E CB -0.340 29.243 29.700 -0.194 0.000 0.746 233 E HN 0.527 nan 8.360 nan 0.000 0.450 234 Q N 0.249 119.790 119.800 -0.430 0.000 2.482 234 Q HA -0.037 4.315 4.340 0.020 0.000 0.209 234 Q C -0.110 175.767 176.000 -0.204 0.000 0.961 234 Q CA 0.923 56.498 55.803 -0.380 0.000 0.945 234 Q CB -0.044 28.349 28.738 -0.575 0.000 1.012 234 Q HN 0.296 nan 8.270 nan 0.000 0.515 235 D N -0.127 120.173 120.400 -0.168 0.000 2.716 235 D HA -0.143 4.509 4.640 0.020 0.000 0.239 235 D C -0.333 175.919 176.300 -0.080 0.000 1.125 235 D CA 0.555 54.495 54.000 -0.099 0.000 0.681 235 D CB -1.231 39.529 40.800 -0.067 0.000 1.070 235 D HN 0.139 nan 8.370 nan 0.000 0.432 236 V N -2.422 117.429 119.914 -0.106 0.000 2.924 236 V HA 0.301 4.434 4.120 0.020 0.000 0.305 236 V C 1.446 177.502 176.094 -0.063 0.000 1.073 236 V CA 0.300 62.545 62.300 -0.091 0.000 1.098 236 V CB 1.386 33.128 31.823 -0.135 0.000 1.000 236 V HN 0.089 nan 8.190 nan 0.000 0.484 237 D N 2.654 123.027 120.400 -0.045 0.000 2.213 237 D HA 0.116 4.769 4.640 0.020 0.000 0.205 237 D C 0.710 176.998 176.300 -0.020 0.000 0.961 237 D CA 1.668 55.663 54.000 -0.009 0.000 0.853 237 D CB 0.356 41.172 40.800 0.028 0.000 0.967 237 D HN 0.815 nan 8.370 nan 0.000 0.496 238 M N -1.145 118.406 119.600 -0.081 0.000 2.683 238 M HA 0.569 5.061 4.480 0.020 0.000 0.274 238 M C -1.565 174.612 176.300 -0.206 0.000 1.272 238 M CA -0.980 54.267 55.300 -0.088 0.000 0.833 238 M CB 3.094 35.684 32.600 -0.016 0.000 1.708 238 M HN -0.427 nan 8.290 nan 0.000 0.463 239 V N 1.869 121.711 119.914 -0.120 0.000 2.577 239 V HA 0.507 4.639 4.120 0.020 0.000 0.303 239 V C -1.538 174.610 176.094 0.091 0.000 1.042 239 V CA -0.402 61.817 62.300 -0.135 0.000 0.872 239 V CB 1.973 33.755 31.823 -0.069 0.000 0.998 239 V HN 0.682 nan 8.190 nan 0.000 0.423 240 F N 3.463 123.389 119.950 -0.039 0.000 2.309 240 F HA 0.606 5.146 4.527 0.021 0.000 0.366 240 F C 0.862 176.640 175.800 -0.037 0.000 1.104 240 F CA -1.568 56.411 58.000 -0.036 0.000 1.179 240 F CB 0.809 39.792 39.000 -0.028 0.000 1.437 240 F HN 0.542 nan 8.300 nan 0.000 0.528 241 A N 2.440 125.345 122.820 0.142 0.000 2.438 241 A HA 0.405 4.737 4.320 0.020 0.000 0.280 241 A C 0.621 178.234 177.584 0.048 0.000 1.160 241 A CA -0.151 51.931 52.037 0.074 0.000 0.821 241 A CB -0.240 18.788 19.000 0.048 0.000 1.101 241 A HN 0.552 nan 8.150 nan 0.000 0.515 242 S N 1.711 117.447 115.700 0.061 0.000 2.564 242 S HA 0.399 4.881 4.470 0.020 0.000 0.278 242 S C 0.147 174.809 174.600 0.103 0.000 1.333 242 S CA -0.073 58.123 58.200 -0.007 0.000 1.048 242 S CB -0.311 62.947 63.200 0.097 0.000 0.900 242 S HN 0.770 nan 8.310 nan 0.000 0.505 243 F N -1.089 118.864 119.950 0.006 0.000 3.069 243 F HA -0.210 4.330 4.527 0.021 0.000 0.285 243 F C 0.481 176.277 175.800 -0.007 0.000 0.827 243 F CA 0.002 57.999 58.000 -0.005 0.000 1.108 243 F CB -2.210 36.781 39.000 -0.016 0.000 1.252 243 F HN 0.605 nan 8.300 nan 0.000 0.483 244 I N 0.005 120.629 120.570 0.090 0.000 2.598 244 I HA 0.216 4.399 4.170 0.020 0.000 0.284 244 I C 1.265 177.410 176.117 0.047 0.000 1.140 244 I CA 0.019 61.352 61.300 0.055 0.000 1.420 244 I CB 0.918 38.924 38.000 0.010 0.000 1.387 244 I HN 0.298 nan 8.210 nan 0.000 0.553 245 R N 4.971 125.497 120.500 0.044 0.000 2.508 245 R HA 0.431 4.783 4.340 0.020 0.000 0.300 245 R C -0.405 175.902 176.300 0.012 0.000 0.970 245 R CA -0.597 55.528 56.100 0.041 0.000 1.102 245 R CB -0.058 30.278 30.300 0.060 0.000 1.246 245 R HN 0.818 nan 8.270 nan 0.000 0.539 246 K N -2.160 118.228 120.400 -0.020 0.000 2.685 246 K HA 0.469 4.801 4.320 0.020 0.000 0.290 246 K C -0.157 176.376 176.600 -0.112 0.000 1.018 246 K CA -0.359 55.898 56.287 -0.050 0.000 0.860 246 K CB 0.639 33.123 32.500 -0.025 0.000 1.498 246 K HN -0.162 nan 8.250 nan 0.000 0.390 247 A N 1.122 123.847 122.820 -0.158 0.000 1.917 247 A HA -0.194 4.138 4.320 0.020 0.000 0.219 247 A C 2.291 179.621 177.584 -0.424 0.000 1.182 247 A CA 2.776 54.618 52.037 -0.324 0.000 0.633 247 A CB -1.214 17.626 19.000 -0.267 0.000 0.819 247 A HN 0.892 nan 8.150 nan 0.000 0.448 248 A N 0.136 122.861 122.820 -0.158 0.000 1.917 248 A HA -0.260 4.072 4.320 0.020 0.000 0.219 248 A C 1.768 179.334 177.584 -0.029 0.000 1.182 248 A CA 2.089 54.111 52.037 -0.024 0.000 0.633 248 A CB -0.698 18.316 19.000 0.023 0.000 0.819 248 A HN 0.520 nan 8.150 nan 0.000 0.448 249 D N -0.193 120.176 120.400 -0.051 0.000 2.104 249 D HA -0.118 4.534 4.640 0.020 0.000 0.194 249 D C 2.089 178.371 176.300 -0.031 0.000 0.994 249 D CA 1.595 55.583 54.000 -0.020 0.000 0.830 249 D CB -0.734 40.060 40.800 -0.011 0.000 0.959 249 D HN 0.240 nan 8.370 nan 0.000 0.452 250 V N 0.911 120.762 119.914 -0.106 0.000 2.332 250 V HA -0.275 3.857 4.120 0.020 0.000 0.248 250 V C 2.104 178.196 176.094 -0.004 0.000 1.055 250 V CA 1.820 64.064 62.300 -0.093 0.000 1.038 250 V CB -0.805 30.908 31.823 -0.183 0.000 0.651 250 V HN 0.353 nan 8.190 nan 0.000 0.450 251 H N -0.411 118.657 119.070 -0.002 0.000 2.387 251 H HA -0.145 4.423 4.556 0.020 0.000 0.299 251 H C 2.490 177.821 175.328 0.004 0.000 1.090 251 H CA 1.427 57.475 56.048 -0.000 0.000 1.332 251 H CB 0.143 29.904 29.762 -0.002 0.000 1.386 251 H HN 0.494 nan 8.280 nan 0.000 0.516 252 E N 0.328 120.603 120.200 0.125 0.000 2.051 252 E HA -0.147 4.215 4.350 0.020 0.000 0.192 252 E C 2.340 178.974 176.600 0.057 0.000 0.991 252 E CA 1.175 57.619 56.400 0.075 0.000 0.799 252 E CB 0.106 29.839 29.700 0.054 0.000 0.748 252 E HN 0.202 nan 8.360 nan 0.000 0.449 253 V N 0.955 120.899 119.914 0.049 0.000 2.407 253 V HA -0.251 3.881 4.120 0.020 0.000 0.248 253 V C 2.344 178.461 176.094 0.038 0.000 1.055 253 V CA 1.810 64.131 62.300 0.035 0.000 1.049 253 V CB -0.428 31.411 31.823 0.027 0.000 0.662 253 V HN 0.131 nan 8.190 nan 0.000 0.455 254 R N 0.838 121.374 120.500 0.059 0.000 2.073 254 R HA -0.164 4.189 4.340 0.020 0.000 0.234 254 R C 2.288 178.612 176.300 0.039 0.000 1.134 254 R CA 1.949 58.083 56.100 0.057 0.000 0.952 254 R CB -0.535 29.822 30.300 0.096 0.000 0.850 254 R HN 0.485 nan 8.270 nan 0.000 0.433 255 K N -0.389 120.037 120.400 0.043 0.000 2.026 255 K HA -0.139 4.193 4.320 0.020 0.000 0.208 255 K C 1.844 178.458 176.600 0.022 0.000 1.048 255 K CA 1.770 58.073 56.287 0.027 0.000 0.929 255 K CB -0.192 32.325 32.500 0.029 0.000 0.713 255 K HN 0.077 nan 8.250 nan 0.000 0.439 256 I N 1.240 121.825 120.570 0.025 0.000 2.163 256 I HA -0.273 3.910 4.170 0.020 0.000 0.243 256 I C 1.972 178.097 176.117 0.013 0.000 1.085 256 I CA 1.012 62.325 61.300 0.021 0.000 1.347 256 I CB -0.450 37.563 38.000 0.022 0.000 1.044 256 I HN 0.177 nan 8.210 nan 0.000 0.408 257 L N 0.276 121.504 121.223 0.008 0.000 2.261 257 L HA 0.003 4.356 4.340 0.020 0.000 0.216 257 L C 1.733 178.604 176.870 0.003 0.000 1.114 257 L CA 1.333 56.173 54.840 -0.001 0.000 0.777 257 L CB -1.935 40.123 42.059 -0.003 0.000 0.910 257 L HN 0.467 nan 8.230 nan 0.000 0.440 258 G N -0.402 108.404 108.800 0.009 0.000 2.574 258 G HA2 -0.472 3.500 3.960 0.020 0.000 0.295 258 G HA3 -0.472 3.500 3.960 0.020 0.000 0.295 258 G C 0.966 175.869 174.900 0.006 0.000 1.300 258 G CA 0.815 45.920 45.100 0.008 0.000 0.944 258 G HN 0.315 nan 8.290 nan 0.000 0.551 259 E N -0.059 120.144 120.200 0.005 0.000 2.072 259 E HA -0.066 4.296 4.350 0.020 0.000 0.191 259 E C 2.429 179.031 176.600 0.003 0.000 0.985 259 E CA 2.139 58.542 56.400 0.004 0.000 0.801 259 E CB -0.263 29.439 29.700 0.004 0.000 0.750 259 E HN 0.568 nan 8.360 nan 0.000 0.452 260 K N -1.141 119.259 120.400 0.000 0.000 2.211 260 K HA -0.024 4.309 4.320 0.020 0.000 0.203 260 K C 1.336 177.932 176.600 -0.007 0.000 1.050 260 K CA 1.232 57.517 56.287 -0.004 0.000 0.945 260 K CB -0.155 32.340 32.500 -0.007 0.000 0.732 260 K HN 0.209 nan 8.250 nan 0.000 0.451 261 G N 1.104 109.901 108.800 -0.006 0.000 3.575 261 G HA2 -0.019 3.953 3.960 0.020 0.000 0.273 261 G HA3 -0.019 3.953 3.960 0.020 0.000 0.273 261 G C 0.782 175.683 174.900 0.002 0.000 1.053 261 G CA -0.341 44.753 45.100 -0.009 0.000 0.803 261 G HN 0.331 nan 8.290 nan 0.000 0.528 262 K N 0.465 120.870 120.400 0.008 0.000 2.127 262 K HA -0.197 4.135 4.320 0.020 0.000 0.208 262 K C 1.423 178.037 176.600 0.024 0.000 1.047 262 K CA 1.671 57.968 56.287 0.016 0.000 0.927 262 K CB -0.420 32.089 32.500 0.016 0.000 0.716 262 K HN 0.316 nan 8.250 nan 0.000 0.450 263 N N 0.540 119.255 118.700 0.024 0.000 2.467 263 N HA 0.120 4.873 4.740 0.020 0.000 0.184 263 N C -0.131 175.402 175.510 0.037 0.000 1.106 263 N CA -0.224 52.848 53.050 0.036 0.000 0.892 263 N CB 0.048 38.557 38.487 0.038 0.000 0.969 263 N HN 0.172 nan 8.380 nan 0.000 0.454 264 I N 2.142 122.725 120.570 0.021 0.000 2.517 264 I HA 0.012 4.194 4.170 0.020 0.000 0.285 264 I C 0.181 176.315 176.117 0.028 0.000 1.106 264 I CA -0.181 61.127 61.300 0.013 0.000 1.402 264 I CB 0.505 38.496 38.000 -0.014 0.000 1.399 264 I HN -0.132 nan 8.210 nan 0.000 0.535 265 K N 7.683 128.108 120.400 0.042 0.000 2.339 265 K HA 0.405 4.737 4.320 0.020 0.000 0.286 265 K C -0.303 176.329 176.600 0.054 0.000 1.050 265 K CA -0.151 56.169 56.287 0.056 0.000 0.956 265 K CB 0.907 33.452 32.500 0.075 0.000 0.990 265 K HN 0.516 nan 8.250 nan 0.000 0.475 266 I N 4.634 125.234 120.570 0.050 0.000 2.325 266 I HA 0.168 4.350 4.170 0.020 0.000 0.291 266 I C 0.107 176.263 176.117 0.065 0.000 1.019 266 I CA -0.638 60.695 61.300 0.055 0.000 1.302 266 I CB 0.755 38.776 38.000 0.035 0.000 1.401 266 I HN 0.188 nan 8.210 nan 0.000 0.485 267 I N 5.476 126.121 120.570 0.126 0.000 2.359 267 I HA 0.199 4.382 4.170 0.020 0.000 0.284 267 I C 0.316 176.461 176.117 0.047 0.000 1.018 267 I CA -0.192 61.160 61.300 0.087 0.000 1.173 267 I CB 1.022 39.115 38.000 0.155 0.000 1.326 267 I HN 0.455 nan 8.210 nan 0.000 0.462 268 S N 6.293 121.988 115.700 -0.008 0.000 2.528 268 S HA 0.245 4.727 4.470 0.020 0.000 0.277 268 S C 0.325 174.898 174.600 -0.045 0.000 1.297 268 S CA -0.401 57.787 58.200 -0.019 0.000 1.052 268 S CB 0.590 63.766 63.200 -0.039 0.000 0.917 268 S HN 0.366 nan 8.310 nan 0.000 0.492 269 K N 2.777 123.141 120.400 -0.060 0.000 2.227 269 K HA 0.348 4.680 4.320 0.020 0.000 0.280 269 K C -0.647 175.890 176.600 -0.105 0.000 1.041 269 K CA -0.465 55.751 56.287 -0.118 0.000 0.905 269 K CB 0.626 33.025 32.500 -0.168 0.000 1.068 269 K HN 0.388 nan 8.250 nan 0.000 0.470 270 I N 4.337 124.853 120.570 -0.090 0.000 2.307 270 I HA 0.069 4.251 4.170 0.020 0.000 0.289 270 I C 0.589 176.636 176.117 -0.117 0.000 1.021 270 I CA 0.028 61.293 61.300 -0.058 0.000 1.224 270 I CB 0.616 38.611 38.000 -0.010 0.000 1.376 270 I HN 0.784 nan 8.210 nan 0.000 0.470 271 E N 4.608 124.733 120.200 -0.124 0.000 3.067 271 E HA 0.229 4.591 4.350 0.020 0.000 0.188 271 E C -0.761 175.837 176.600 -0.004 0.000 0.964 271 E CA -0.581 55.737 56.400 -0.137 0.000 1.286 271 E CB 0.257 29.749 29.700 -0.346 0.000 1.051 271 E HN 0.663 nan 8.360 nan 0.000 0.465 272 N N -0.984 117.735 118.700 0.033 0.000 2.823 272 N HA 0.052 4.804 4.740 0.020 0.000 0.251 272 N C 0.195 175.748 175.510 0.072 0.000 1.392 272 N CA -0.782 52.323 53.050 0.091 0.000 0.864 272 N CB 0.556 39.144 38.487 0.167 0.000 1.481 272 N HN -0.089 nan 8.380 nan 0.000 0.508 273 H N 0.009 119.087 119.070 0.015 0.000 2.353 273 H HA -0.154 4.415 4.556 0.021 0.000 0.298 273 H C 1.150 176.485 175.328 0.012 0.000 1.103 273 H CA 2.638 58.687 56.048 0.002 0.000 1.293 273 H CB 0.236 29.998 29.762 0.000 0.000 1.372 273 H HN 0.833 nan 8.280 nan 0.000 0.501 274 E N -0.188 120.134 120.200 0.205 0.000 2.049 274 E HA -0.120 4.242 4.350 0.020 0.000 0.198 274 E C 2.561 179.214 176.600 0.087 0.000 1.007 274 E CA 1.798 58.282 56.400 0.140 0.000 0.809 274 E CB -0.916 28.842 29.700 0.095 0.000 0.749 274 E HN 0.526 nan 8.360 nan 0.000 0.450 275 G N -0.123 108.719 108.800 0.070 0.000 2.442 275 G HA2 -0.234 3.739 3.960 0.020 0.000 0.219 275 G HA3 -0.234 3.739 3.960 0.020 0.000 0.219 275 G C 1.713 176.658 174.900 0.075 0.000 1.141 275 G CA 1.067 46.205 45.100 0.062 0.000 0.763 275 G HN 0.270 nan 8.290 nan 0.000 0.554 276 V N 0.292 120.208 119.914 0.003 0.000 2.358 276 V HA -0.103 4.029 4.120 0.020 0.000 0.246 276 V C 2.756 178.844 176.094 -0.010 0.000 1.047 276 V CA 1.990 64.257 62.300 -0.054 0.000 1.035 276 V CB -0.426 31.265 31.823 -0.220 0.000 0.658 276 V HN 0.364 nan 8.190 nan 0.000 0.452 277 R N 0.174 120.666 120.500 -0.015 0.000 2.096 277 R HA -0.073 4.279 4.340 0.020 0.000 0.235 277 R C 1.880 178.217 176.300 0.062 0.000 1.127 277 R CA 1.141 57.261 56.100 0.033 0.000 0.968 277 R CB 0.032 30.397 30.300 0.108 0.000 0.861 277 R HN 0.379 nan 8.270 nan 0.000 0.440 278 R N -0.342 120.198 120.500 0.066 0.000 2.466 278 R HA 0.016 4.368 4.340 0.020 0.000 0.279 278 R C 1.165 177.485 176.300 0.034 0.000 0.976 278 R CA -0.174 55.950 56.100 0.040 0.000 1.081 278 R CB -0.065 30.245 30.300 0.016 0.000 1.215 278 R HN 0.199 nan 8.270 nan 0.000 0.546 279 F N 2.899 122.819 119.950 -0.050 0.000 2.087 279 F HA -0.300 4.238 4.527 0.019 0.000 0.299 279 F C 1.484 177.253 175.800 -0.052 0.000 1.100 279 F CA 1.913 59.878 58.000 -0.059 0.000 1.226 279 F CB 0.070 39.027 39.000 -0.072 0.000 0.983 279 F HN -0.012 nan 8.300 nan 0.000 0.479 280 D N 0.243 120.567 120.400 -0.126 0.000 2.116 280 D HA -0.260 4.392 4.640 0.020 0.000 0.193 280 D C 2.205 178.353 176.300 -0.253 0.000 0.998 280 D CA 1.976 55.855 54.000 -0.202 0.000 0.836 280 D CB -0.612 40.169 40.800 -0.032 0.000 0.951 280 D HN 0.726 nan 8.370 nan 0.000 0.449 281 E N 0.231 120.329 120.200 -0.170 0.000 2.208 281 E HA -0.101 4.261 4.350 0.020 0.000 0.193 281 E C 2.212 178.688 176.600 -0.206 0.000 0.988 281 E CA 0.577 56.889 56.400 -0.146 0.000 0.828 281 E CB -0.343 29.304 29.700 -0.089 0.000 0.763 281 E HN 0.289 nan 8.360 nan 0.000 0.478 282 I N 0.626 121.033 120.570 -0.272 0.000 2.286 282 I HA -0.183 3.999 4.170 0.020 0.000 0.245 282 I C 2.423 178.333 176.117 -0.344 0.000 1.104 282 I CA 0.474 61.605 61.300 -0.283 0.000 1.397 282 I CB -0.127 37.725 38.000 -0.247 0.000 1.072 282 I HN 0.181 nan 8.210 nan 0.000 0.417 283 L N 0.773 121.660 121.223 -0.561 0.000 2.083 283 L HA -0.203 4.150 4.340 0.020 0.000 0.209 283 L C 2.420 179.138 176.870 -0.254 0.000 1.083 283 L CA 1.908 56.449 54.840 -0.498 0.000 0.752 283 L CB -0.789 40.820 42.059 -0.750 0.000 0.899 283 L HN 0.174 nan 8.230 nan 0.000 0.433 284 E N 0.072 120.143 120.200 -0.214 0.000 2.077 284 E HA -0.186 4.176 4.350 0.020 0.000 0.193 284 E C 2.024 178.583 176.600 -0.068 0.000 0.989 284 E CA 1.398 57.733 56.400 -0.110 0.000 0.800 284 E CB -0.108 29.544 29.700 -0.081 0.000 0.746 284 E HN 0.608 nan 8.360 nan 0.000 0.452 285 A N 0.270 123.031 122.820 -0.098 0.000 2.067 285 A HA 0.042 4.374 4.320 0.020 0.000 0.217 285 A C 1.467 179.023 177.584 -0.047 0.000 1.156 285 A CA 0.434 52.436 52.037 -0.058 0.000 0.683 285 A CB 0.066 18.923 19.000 -0.238 0.000 0.808 285 A HN 0.153 nan 8.150 nan 0.000 0.455 286 S N -0.136 115.514 115.700 -0.084 0.000 2.707 286 S HA 0.320 4.802 4.470 0.020 0.000 0.276 286 S C 0.034 174.616 174.600 -0.030 0.000 1.179 286 S CA -0.490 57.677 58.200 -0.055 0.000 0.992 286 S CB 0.908 64.061 63.200 -0.080 0.000 1.030 286 S HN 0.394 nan 8.310 nan 0.000 0.554 287 D N 0.090 120.484 120.400 -0.011 0.000 2.355 287 D HA 0.262 4.914 4.640 0.020 0.000 0.206 287 D C 0.754 177.031 176.300 -0.038 0.000 1.010 287 D CA 0.494 54.495 54.000 0.002 0.000 0.875 287 D CB 0.517 41.335 40.800 0.030 0.000 0.966 287 D HN 0.614 nan 8.370 nan 0.000 0.512 288 G N 0.031 108.802 108.800 -0.049 0.000 2.559 288 G HA2 0.501 4.473 3.960 0.020 0.000 0.291 288 G HA3 0.501 4.473 3.960 0.020 0.000 0.291 288 G C -1.726 173.138 174.900 -0.061 0.000 1.424 288 G CA -0.486 44.566 45.100 -0.080 0.000 0.786 288 G HN -0.103 nan 8.290 nan 0.000 0.485 289 I N 0.489 121.022 120.570 -0.061 0.000 2.730 289 I HA 0.555 4.738 4.170 0.020 0.000 0.298 289 I C -0.470 175.581 176.117 -0.111 0.000 1.089 289 I CA -0.789 60.494 61.300 -0.028 0.000 1.041 289 I CB 2.076 40.158 38.000 0.138 0.000 1.235 289 I HN 0.591 nan 8.210 nan 0.000 0.423 290 M N 5.478 124.993 119.600 -0.142 0.000 2.190 290 M HA 0.443 4.936 4.480 0.020 0.000 0.312 290 M C -1.482 174.721 176.300 -0.162 0.000 0.990 290 M CA -0.713 54.453 55.300 -0.223 0.000 0.927 290 M CB 1.692 34.070 32.600 -0.370 0.000 1.571 290 M HN 0.258 nan 8.290 nan 0.000 0.427 291 V N 5.147 124.969 119.914 -0.153 0.000 2.313 291 V HA 0.262 4.395 4.120 0.020 0.000 0.252 291 V C 0.718 176.731 176.094 -0.136 0.000 1.112 291 V CA -0.361 61.856 62.300 -0.139 0.000 0.984 291 V CB 0.086 31.828 31.823 -0.134 0.000 1.157 291 V HN 0.886 nan 8.190 nan 0.000 0.493 292 A N 5.303 128.034 122.820 -0.148 0.000 3.037 292 A HA 0.267 4.599 4.320 0.020 0.000 0.272 292 A C 1.607 179.121 177.584 -0.116 0.000 1.723 292 A CA -0.349 51.600 52.037 -0.146 0.000 1.413 292 A CB -0.522 18.355 19.000 -0.205 0.000 1.112 292 A HN 0.867 nan 8.150 nan 0.000 0.606 293 R N 0.853 121.300 120.500 -0.087 0.000 2.185 293 R HA -0.196 4.157 4.340 0.020 0.000 0.247 293 R C 2.217 178.489 176.300 -0.047 0.000 1.159 293 R CA 1.586 57.648 56.100 -0.063 0.000 0.988 293 R CB -0.338 29.935 30.300 -0.044 0.000 0.871 293 R HN 0.661 nan 8.270 nan 0.000 0.458 294 G N 1.335 110.109 108.800 -0.043 0.000 2.639 294 G HA2 -0.293 3.679 3.960 0.020 0.000 0.216 294 G HA3 -0.293 3.679 3.960 0.020 0.000 0.216 294 G C 0.964 175.855 174.900 -0.015 0.000 1.267 294 G CA 1.237 46.326 45.100 -0.019 0.000 0.801 294 G HN 0.227 nan 8.290 nan 0.000 0.592 295 D N 0.020 120.406 120.400 -0.022 0.000 2.178 295 D HA -0.059 4.594 4.640 0.020 0.000 0.202 295 D C 2.467 178.766 176.300 -0.001 0.000 0.974 295 D CA 0.492 54.507 54.000 0.025 0.000 0.841 295 D CB -0.104 40.736 40.800 0.066 0.000 0.953 295 D HN 0.175 nan 8.370 nan 0.000 0.478 296 L N 1.286 122.482 121.223 -0.046 0.000 2.042 296 L HA -0.039 4.313 4.340 0.020 0.000 0.210 296 L C 2.173 179.015 176.870 -0.046 0.000 1.076 296 L CA 1.907 56.717 54.840 -0.049 0.000 0.749 296 L CB -0.987 41.025 42.059 -0.079 0.000 0.893 296 L HN 0.003 nan 8.230 nan 0.000 0.432 297 G N -1.146 107.627 108.800 -0.045 0.000 2.625 297 G HA2 -0.099 3.873 3.960 0.020 0.000 0.214 297 G HA3 -0.099 3.873 3.960 0.020 0.000 0.214 297 G C 1.437 176.291 174.900 -0.076 0.000 1.132 297 G CA 0.919 45.992 45.100 -0.045 0.000 0.782 297 G HN 0.506 nan 8.290 nan 0.000 0.538 298 I N -0.783 119.734 120.570 -0.089 0.000 3.194 298 I HA 0.087 4.269 4.170 0.020 0.000 0.271 298 I C 2.226 178.230 176.117 -0.189 0.000 1.150 298 I CA 0.063 61.252 61.300 -0.186 0.000 1.440 298 I CB -0.022 37.896 38.000 -0.137 0.000 1.276 298 I HN -0.034 nan 8.210 nan 0.000 0.457 299 E N 1.918 122.078 120.200 -0.068 0.000 2.160 299 E HA -0.093 4.269 4.350 0.020 0.000 0.195 299 E C 0.701 177.300 176.600 -0.001 0.000 0.991 299 E CA 1.091 57.485 56.400 -0.011 0.000 0.810 299 E CB -0.043 29.691 29.700 0.056 0.000 0.742 299 E HN 0.575 nan 8.360 nan 0.000 0.466 300 I N -3.411 117.148 120.570 -0.019 0.000 2.934 300 I HA 0.455 4.637 4.170 0.020 0.000 0.306 300 I C -2.787 173.315 176.117 -0.026 0.000 1.110 300 I CA -3.085 58.221 61.300 0.010 0.000 1.019 300 I CB 2.292 40.303 38.000 0.018 0.000 1.227 300 I HN -0.374 nan 8.210 nan 0.000 0.434 301 P HA -0.023 nan 4.420 nan 0.000 0.261 301 P C 0.485 177.784 177.300 -0.001 0.000 1.173 301 P CA 0.439 63.538 63.100 -0.002 0.000 0.760 301 P CB 0.840 32.553 31.700 0.022 0.000 0.783 302 A N 4.530 127.349 122.820 -0.002 0.000 1.917 302 A HA -0.253 4.079 4.320 0.020 0.000 0.219 302 A C 1.663 179.281 177.584 0.057 0.000 1.182 302 A CA 1.860 53.905 52.037 0.012 0.000 0.633 302 A CB -1.077 17.928 19.000 0.009 0.000 0.819 302 A HN 0.618 nan 8.150 nan 0.000 0.448 303 E N 0.292 120.535 120.200 0.072 0.000 2.396 303 E HA -0.137 4.225 4.350 0.020 0.000 0.200 303 E C 1.480 178.229 176.600 0.249 0.000 1.023 303 E CA 1.375 57.858 56.400 0.138 0.000 0.857 303 E CB -0.192 29.572 29.700 0.106 0.000 0.775 303 E HN 0.698 nan 8.360 nan 0.000 0.525 304 K N -0.059 120.407 120.400 0.109 0.000 2.354 304 K HA 0.137 4.469 4.320 0.020 0.000 0.194 304 K C 1.629 178.159 176.600 -0.115 0.000 1.038 304 K CA 0.063 56.336 56.287 -0.023 0.000 1.052 304 K CB 0.510 32.970 32.500 -0.066 0.000 0.861 304 K HN -0.050 nan 8.250 nan 0.000 0.535 305 V N 2.188 122.100 119.914 -0.003 0.000 2.282 305 V HA -0.317 3.815 4.120 0.020 0.000 0.249 305 V C 2.127 178.184 176.094 -0.061 0.000 1.057 305 V CA 2.248 64.524 62.300 -0.040 0.000 1.032 305 V CB -0.722 31.105 31.823 0.006 0.000 0.645 305 V HN 0.390 nan 8.190 nan 0.000 0.447 306 F N 0.078 119.988 119.950 -0.067 0.000 2.192 306 F HA -0.201 4.337 4.527 0.018 0.000 0.301 306 F C 1.927 177.680 175.800 -0.078 0.000 1.079 306 F CA 1.664 59.625 58.000 -0.066 0.000 1.303 306 F CB -0.886 38.084 39.000 -0.051 0.000 1.024 306 F HN 0.100 nan 8.300 nan 0.000 0.494 307 L N 0.757 121.340 121.223 -1.066 0.000 2.023 307 L HA -0.075 4.278 4.340 0.020 0.000 0.205 307 L C 3.074 179.681 176.870 -0.438 0.000 1.073 307 L CA 1.156 55.474 54.840 -0.870 0.000 0.745 307 L CB -1.233 40.335 42.059 -0.818 0.000 0.900 307 L HN 0.325 nan 8.230 nan 0.000 0.435 308 A N -0.493 122.113 122.820 -0.356 0.000 1.902 308 A HA -0.287 4.046 4.320 0.020 0.000 0.217 308 A C 2.261 179.677 177.584 -0.280 0.000 1.181 308 A CA 1.915 53.773 52.037 -0.300 0.000 0.623 308 A CB -0.630 18.216 19.000 -0.256 0.000 0.818 308 A HN 0.509 nan 8.150 nan 0.000 0.443 309 Q N -0.103 119.570 119.800 -0.212 0.000 2.002 309 Q HA -0.242 4.111 4.340 0.020 0.000 0.204 309 Q C 1.999 177.900 176.000 -0.165 0.000 0.988 309 Q CA 2.124 57.829 55.803 -0.163 0.000 0.843 309 Q CB -0.180 28.509 28.738 -0.082 0.000 0.908 309 Q HN 0.679 nan 8.270 nan 0.000 0.420 310 K N 0.006 120.322 120.400 -0.139 0.000 2.097 310 K HA -0.150 4.182 4.320 0.020 0.000 0.206 310 K C 2.213 178.721 176.600 -0.155 0.000 1.049 310 K CA 1.430 57.651 56.287 -0.110 0.000 0.933 310 K CB -0.250 32.211 32.500 -0.066 0.000 0.717 310 K HN 0.358 nan 8.250 nan 0.000 0.442 311 M N 1.234 120.704 119.600 -0.217 0.000 2.067 311 M HA -0.176 4.316 4.480 0.020 0.000 0.260 311 M C 2.024 178.134 176.300 -0.317 0.000 1.069 311 M CA 1.769 56.925 55.300 -0.239 0.000 1.117 311 M CB -0.248 32.189 32.600 -0.273 0.000 1.334 311 M HN 0.125 nan 8.290 nan 0.000 0.407 312 I N 0.374 120.670 120.570 -0.457 0.000 2.179 312 I HA -0.352 3.830 4.170 0.020 0.000 0.242 312 I C 2.403 178.345 176.117 -0.292 0.000 1.088 312 I CA 1.345 62.256 61.300 -0.648 0.000 1.357 312 I CB -0.447 37.159 38.000 -0.657 0.000 1.051 312 I HN 0.313 nan 8.210 nan 0.000 0.409 313 I N 0.661 121.117 120.570 -0.189 0.000 2.286 313 I HA -0.220 3.963 4.170 0.020 0.000 0.248 313 I C 2.639 178.717 176.117 -0.065 0.000 1.115 313 I CA 1.531 62.772 61.300 -0.098 0.000 1.392 313 I CB -0.874 37.080 38.000 -0.076 0.000 1.065 313 I HN 0.294 nan 8.210 nan 0.000 0.418 314 G N 0.743 109.495 108.800 -0.080 0.000 2.433 314 G HA2 -0.215 3.757 3.960 0.020 0.000 0.216 314 G HA3 -0.215 3.757 3.960 0.020 0.000 0.216 314 G C 1.805 176.693 174.900 -0.020 0.000 1.186 314 G CA 0.364 45.435 45.100 -0.048 0.000 0.779 314 G HN 0.283 nan 8.290 nan 0.000 0.543 315 R N -0.651 119.843 120.500 -0.010 0.000 2.115 315 R HA -0.030 4.322 4.340 0.020 0.000 0.230 315 R C 2.644 179.009 176.300 0.109 0.000 1.111 315 R CA 1.097 57.246 56.100 0.081 0.000 0.976 315 R CB -0.592 29.835 30.300 0.211 0.000 0.870 315 R HN 0.382 nan 8.270 nan 0.000 0.445 316 C N 0.528 119.893 119.300 0.108 0.000 2.440 316 C HA -0.039 4.433 4.460 0.020 0.000 0.278 316 C C 2.199 177.197 174.990 0.013 0.000 1.295 316 C CA 0.617 59.684 59.018 0.081 0.000 1.738 316 C CB -1.178 26.602 27.740 0.067 0.000 1.987 316 C HN 0.566 nan 8.230 nan 0.000 0.492 317 N N 0.258 118.956 118.700 -0.003 0.000 2.058 317 N HA -0.183 4.569 4.740 0.020 0.000 0.191 317 N C 2.107 177.590 175.510 -0.044 0.000 1.037 317 N CA 0.895 53.930 53.050 -0.025 0.000 0.848 317 N CB -0.304 38.173 38.487 -0.017 0.000 1.021 317 N HN 0.487 nan 8.380 nan 0.000 0.422 318 R N 1.237 121.723 120.500 -0.023 0.000 2.105 318 R HA -0.098 4.254 4.340 0.020 0.000 0.239 318 R C 1.873 178.155 176.300 -0.030 0.000 1.135 318 R CA 1.484 57.568 56.100 -0.027 0.000 0.967 318 R CB -0.148 30.150 30.300 -0.004 0.000 0.861 318 R HN 0.188 nan 8.270 nan 0.000 0.442 319 A N -0.592 122.221 122.820 -0.011 0.000 2.072 319 A HA 0.160 4.492 4.320 0.020 0.000 0.216 319 A C 1.508 179.080 177.584 -0.020 0.000 1.156 319 A CA 1.080 53.110 52.037 -0.011 0.000 0.701 319 A CB -0.111 18.889 19.000 -0.001 0.000 0.816 319 A HN 0.581 nan 8.150 nan 0.000 0.458 320 G N -0.978 107.802 108.800 -0.033 0.000 2.141 320 G HA2 -0.214 3.758 3.960 0.020 0.000 0.242 320 G HA3 -0.214 3.758 3.960 0.020 0.000 0.242 320 G C 0.022 174.943 174.900 0.035 0.000 0.982 320 G CA 0.394 45.482 45.100 -0.020 0.000 0.662 320 G HN 0.574 nan 8.290 nan 0.000 0.527 321 K N 0.695 121.092 120.400 -0.005 0.000 2.164 321 K HA 0.508 4.841 4.320 0.020 0.000 0.258 321 K C -2.643 173.879 176.600 -0.131 0.000 0.951 321 K CA -2.174 54.086 56.287 -0.045 0.000 0.844 321 K CB 1.866 34.344 32.500 -0.038 0.000 1.099 321 K HN -0.047 nan 8.250 nan 0.000 0.435 322 P HA -0.051 nan 4.420 nan 0.000 0.266 322 P C -1.002 176.187 177.300 -0.185 0.000 1.195 322 P CA -0.207 62.687 63.100 -0.344 0.000 0.768 322 P CB 0.597 31.955 31.700 -0.571 0.000 0.838 323 V N 5.189 125.015 119.914 -0.145 0.000 2.709 323 V HA 0.515 4.647 4.120 0.020 0.000 0.308 323 V C -0.829 175.190 176.094 -0.126 0.000 1.062 323 V CA -0.832 61.403 62.300 -0.110 0.000 0.901 323 V CB 1.413 33.197 31.823 -0.065 0.000 1.003 323 V HN 0.299 nan 8.190 nan 0.000 0.425 324 I N 5.916 126.393 120.570 -0.156 0.000 2.441 324 I HA 0.474 4.656 4.170 0.020 0.000 0.295 324 I C -0.329 175.700 176.117 -0.146 0.000 0.994 324 I CA -0.466 60.734 61.300 -0.167 0.000 1.144 324 I CB 1.730 39.570 38.000 -0.267 0.000 1.314 324 I HN 0.620 nan 8.210 nan 0.000 0.445 325 C N 6.148 125.383 119.300 -0.108 0.000 2.295 325 C HA 0.905 5.377 4.460 0.020 0.000 0.331 325 C C 0.294 175.234 174.990 -0.083 0.000 1.280 325 C CA 0.022 58.986 59.018 -0.089 0.000 1.746 325 C CB -0.282 27.423 27.740 -0.059 0.000 2.328 325 C HN 0.913 nan 8.230 nan 0.000 0.521 326 A N 4.063 126.832 122.820 -0.084 0.000 2.569 326 A HA 0.940 5.272 4.320 0.020 0.000 0.290 326 A C -0.158 177.400 177.584 -0.042 0.000 1.136 326 A CA -0.135 51.863 52.037 -0.065 0.000 0.710 326 A CB 0.902 19.847 19.000 -0.092 0.000 1.303 326 A HN 1.515 nan 8.150 nan 0.000 0.413 327 T N 1.207 115.750 114.554 -0.019 0.000 0.618 327 T HA -0.087 4.275 4.350 0.020 0.000 0.766 327 T C 0.119 174.820 174.700 0.003 0.000 0.991 327 T CA 0.909 63.007 62.100 -0.003 0.000 4.037 327 T CB -1.434 67.427 68.868 -0.013 0.000 2.281 327 T HN 1.571 nan 8.240 nan 0.000 0.395 328 Q N -0.121 119.688 119.800 0.016 0.000 2.452 328 Q HA -0.289 4.063 4.340 0.020 0.000 0.248 328 Q C 1.609 177.618 176.000 0.014 0.000 0.874 328 Q CA 1.601 57.415 55.803 0.019 0.000 1.208 328 Q CB -1.303 27.445 28.738 0.017 0.000 1.569 328 Q HN 0.859 nan 8.270 nan 0.000 0.579 329 M N -0.618 118.989 119.600 0.011 0.000 2.106 329 M HA -0.178 4.315 4.480 0.020 0.000 0.259 329 M C 0.874 177.181 176.300 0.012 0.000 1.068 329 M CA 1.534 56.839 55.300 0.008 0.000 1.100 329 M CB -0.027 32.577 32.600 0.006 0.000 1.351 329 M HN 0.147 nan 8.290 nan 0.000 0.404 330 L N -0.523 120.712 121.223 0.020 0.000 3.218 330 L HA 0.174 4.526 4.340 0.020 0.000 0.279 330 L C 1.251 178.140 176.870 0.031 0.000 1.287 330 L CA 0.236 55.090 54.840 0.023 0.000 1.024 330 L CB -0.122 41.954 42.059 0.029 0.000 1.409 330 L HN 0.054 nan 8.230 nan 0.000 0.580 331 E N 0.993 121.210 120.200 0.029 0.000 2.095 331 E HA -0.320 4.043 4.350 0.020 0.000 0.212 331 E C 2.250 178.874 176.600 0.041 0.000 1.044 331 E CA 2.268 58.689 56.400 0.035 0.000 0.857 331 E CB -0.002 29.716 29.700 0.029 0.000 0.764 331 E HN 0.461 nan 8.360 nan 0.000 0.462 332 S N -0.584 115.135 115.700 0.033 0.000 2.440 332 S HA -0.202 4.281 4.470 0.020 0.000 0.240 332 S C 1.850 176.479 174.600 0.049 0.000 1.014 332 S CA 1.481 59.702 58.200 0.034 0.000 0.980 332 S CB -0.447 62.765 63.200 0.019 0.000 0.775 332 S HN 0.376 nan 8.310 nan 0.000 0.499 333 M N 0.529 120.161 119.600 0.054 0.000 2.686 333 M HA 0.220 4.712 4.480 0.020 0.000 0.246 333 M C 1.346 177.750 176.300 0.174 0.000 1.096 333 M CA 0.472 55.823 55.300 0.085 0.000 1.076 333 M CB -0.447 32.191 32.600 0.063 0.000 1.504 333 M HN 0.387 nan 8.290 nan 0.000 0.524 334 I N 0.123 120.769 120.570 0.126 0.000 2.394 334 I HA -0.239 3.943 4.170 0.020 0.000 0.251 334 I C 1.938 178.142 176.117 0.144 0.000 1.136 334 I CA 1.058 62.427 61.300 0.115 0.000 1.425 334 I CB -0.189 37.853 38.000 0.069 0.000 1.079 334 I HN 0.234 nan 8.210 nan 0.000 0.425 335 K N 0.316 120.818 120.400 0.170 0.000 2.412 335 K HA 0.305 4.637 4.320 0.020 0.000 0.202 335 K C 0.139 176.926 176.600 0.313 0.000 1.102 335 K CA 0.265 56.666 56.287 0.189 0.000 1.027 335 K CB 0.826 33.387 32.500 0.101 0.000 0.931 335 K HN 0.209 nan 8.250 nan 0.000 0.557 336 K N 1.064 121.599 120.400 0.224 0.000 2.328 336 K HA 0.262 4.594 4.320 0.020 0.000 0.246 336 K C -2.102 174.228 176.600 -0.452 0.000 0.955 336 K CA -1.950 54.331 56.287 -0.010 0.000 0.817 336 K CB 2.342 34.821 32.500 -0.035 0.000 1.208 336 K HN -0.298 nan 8.250 nan 0.000 0.432 337 P HA -0.052 nan 4.420 nan 0.000 0.227 337 P C -0.436 176.628 177.300 -0.393 0.000 1.161 337 P CA 0.815 63.302 63.100 -1.022 0.000 0.788 337 P CB 0.631 31.833 31.700 -0.830 0.000 0.822 338 R N 0.657 121.012 120.500 -0.241 0.000 2.686 338 R HA 0.469 4.822 4.340 0.020 0.000 0.286 338 R C -2.458 173.795 176.300 -0.078 0.000 0.969 338 R CA -2.264 53.762 56.100 -0.124 0.000 0.898 338 R CB 1.645 31.889 30.300 -0.094 0.000 1.183 338 R HN 0.046 nan 8.270 nan 0.000 0.456 339 P HA 0.031 nan 4.420 nan 0.000 0.274 339 P C -0.231 177.056 177.300 -0.021 0.000 1.256 339 P CA -0.255 62.831 63.100 -0.023 0.000 0.795 339 P CB 0.661 32.354 31.700 -0.011 0.000 1.038 340 T N -1.309 113.238 114.554 -0.012 0.000 2.899 340 T HA 0.234 4.596 4.350 0.020 0.000 0.284 340 T C 1.490 176.182 174.700 -0.012 0.000 1.004 340 T CA -0.764 61.329 62.100 -0.012 0.000 1.043 340 T CB 0.618 69.482 68.868 -0.007 0.000 1.013 340 T HN 0.188 nan 8.240 nan 0.000 0.518 341 R N 1.244 121.735 120.500 -0.014 0.000 2.127 341 R HA -0.060 4.292 4.340 0.020 0.000 0.238 341 R C 2.533 178.824 176.300 -0.016 0.000 1.134 341 R CA 1.540 57.631 56.100 -0.015 0.000 0.975 341 R CB -1.694 28.596 30.300 -0.017 0.000 0.865 341 R HN 0.862 nan 8.270 nan 0.000 0.447 342 A N 1.414 124.225 122.820 -0.015 0.000 1.897 342 A HA -0.133 4.199 4.320 0.020 0.000 0.215 342 A C 2.010 179.586 177.584 -0.013 0.000 1.181 342 A CA 1.100 53.126 52.037 -0.017 0.000 0.620 342 A CB -0.241 18.749 19.000 -0.017 0.000 0.821 342 A HN 0.366 nan 8.150 nan 0.000 0.443 343 E N -0.415 119.780 120.200 -0.008 0.000 2.110 343 E HA -0.102 4.260 4.350 0.020 0.000 0.193 343 E C 2.066 178.664 176.600 -0.004 0.000 0.988 343 E CA 0.748 57.146 56.400 -0.004 0.000 0.804 343 E CB -0.342 29.359 29.700 0.001 0.000 0.745 343 E HN 0.596 nan 8.360 nan 0.000 0.458 344 G N 0.926 109.721 108.800 -0.007 0.000 2.402 344 G HA2 -0.297 3.675 3.960 0.020 0.000 0.216 344 G HA3 -0.297 3.675 3.960 0.020 0.000 0.216 344 G C 1.643 176.538 174.900 -0.009 0.000 1.162 344 G CA 0.864 45.960 45.100 -0.007 0.000 0.777 344 G HN 0.278 nan 8.290 nan 0.000 0.539 345 S N 0.409 116.101 115.700 -0.012 0.000 2.368 345 S HA -0.177 4.305 4.470 0.020 0.000 0.225 345 S C 2.083 176.677 174.600 -0.011 0.000 1.030 345 S CA 2.008 60.200 58.200 -0.014 0.000 0.999 345 S CB -0.465 62.722 63.200 -0.021 0.000 0.844 345 S HN 0.401 nan 8.310 nan 0.000 0.459 346 D N 0.284 120.678 120.400 -0.010 0.000 2.104 346 D HA -0.101 4.552 4.640 0.020 0.000 0.194 346 D C 1.882 178.180 176.300 -0.003 0.000 0.994 346 D CA 1.544 55.540 54.000 -0.006 0.000 0.830 346 D CB -0.348 40.449 40.800 -0.005 0.000 0.959 346 D HN 0.303 nan 8.370 nan 0.000 0.452 347 V N 0.625 120.537 119.914 -0.002 0.000 2.295 347 V HA -0.207 3.925 4.120 0.020 0.000 0.246 347 V C 2.569 178.662 176.094 -0.001 0.000 1.049 347 V CA 1.795 64.094 62.300 -0.001 0.000 1.024 347 V CB -0.966 30.858 31.823 0.001 0.000 0.648 347 V HN 0.346 nan 8.190 nan 0.000 0.447 348 A N 0.401 123.220 122.820 -0.002 0.000 1.883 348 A HA -0.251 4.081 4.320 0.020 0.000 0.217 348 A C 2.062 179.650 177.584 0.006 0.000 1.186 348 A CA 2.118 54.155 52.037 0.000 0.000 0.624 348 A CB -0.708 18.290 19.000 -0.004 0.000 0.822 348 A HN 0.601 nan 8.150 nan 0.000 0.444 349 N N 0.170 118.874 118.700 0.006 0.000 2.309 349 N HA -0.070 4.682 4.740 0.020 0.000 0.182 349 N C 1.835 177.353 175.510 0.014 0.000 1.018 349 N CA 1.262 54.320 53.050 0.013 0.000 0.876 349 N CB -0.374 38.119 38.487 0.010 0.000 0.972 349 N HN 0.508 nan 8.380 nan 0.000 0.434 350 A N 0.716 123.540 122.820 0.006 0.000 1.898 350 A HA -0.041 4.292 4.320 0.020 0.000 0.216 350 A C 2.473 180.058 177.584 0.002 0.000 1.181 350 A CA 1.026 53.062 52.037 -0.001 0.000 0.620 350 A CB -0.604 18.391 19.000 -0.009 0.000 0.819 350 A HN 0.086 nan 8.150 nan 0.000 0.442 351 V N 0.253 120.171 119.914 0.007 0.000 2.427 351 V HA -0.219 3.913 4.120 0.020 0.000 0.248 351 V C 2.512 178.619 176.094 0.021 0.000 1.051 351 V CA 1.753 64.061 62.300 0.013 0.000 1.048 351 V CB -0.778 31.053 31.823 0.013 0.000 0.666 351 V HN 0.540 nan 8.190 nan 0.000 0.456 352 L N -0.386 120.853 121.223 0.026 0.000 2.093 352 L HA -0.130 4.222 4.340 0.020 0.000 0.208 352 L C 2.344 179.240 176.870 0.044 0.000 1.085 352 L CA 1.323 56.187 54.840 0.040 0.000 0.755 352 L CB -0.759 41.331 42.059 0.052 0.000 0.904 352 L HN 0.314 nan 8.230 nan 0.000 0.435 353 D N 0.253 120.671 120.400 0.032 0.000 2.221 353 D HA -0.128 4.524 4.640 0.020 0.000 0.204 353 D C 1.639 177.948 176.300 0.015 0.000 0.982 353 D CA 1.607 55.621 54.000 0.023 0.000 0.857 353 D CB 0.097 40.901 40.800 0.006 0.000 0.934 353 D HN 0.500 nan 8.370 nan 0.000 0.475 354 G N -0.472 108.336 108.800 0.014 0.000 2.183 354 G HA2 -0.082 3.890 3.960 0.020 0.000 0.168 354 G HA3 -0.082 3.890 3.960 0.020 0.000 0.168 354 G C 0.397 175.296 174.900 -0.002 0.000 1.008 354 G CA 0.110 45.218 45.100 0.012 0.000 0.677 354 G HN 0.552 nan 8.290 nan 0.000 0.498 355 A N 0.461 123.274 122.820 -0.011 0.000 2.546 355 A HA 0.450 4.782 4.320 0.020 0.000 0.243 355 A C 1.234 178.806 177.584 -0.020 0.000 1.063 355 A CA 1.086 53.106 52.037 -0.028 0.000 0.757 355 A CB 0.222 19.202 19.000 -0.032 0.000 0.991 355 A HN 0.285 nan 8.150 nan 0.000 0.503 356 D N 0.549 120.925 120.400 -0.041 0.000 2.162 356 D HA 0.013 4.665 4.640 0.020 0.000 0.203 356 D C 0.066 176.352 176.300 -0.023 0.000 0.967 356 D CA 1.256 55.235 54.000 -0.034 0.000 0.840 356 D CB 0.153 40.897 40.800 -0.093 0.000 0.972 356 D HN 0.562 nan 8.370 nan 0.000 0.482 357 C N 0.687 119.961 119.300 -0.043 0.000 2.888 357 C HA 0.584 5.056 4.460 0.020 0.000 0.308 357 C C -0.251 174.715 174.990 -0.039 0.000 1.213 357 C CA -1.112 57.888 59.018 -0.030 0.000 1.461 357 C CB 1.905 29.623 27.740 -0.037 0.000 1.934 357 C HN 0.160 nan 8.230 nan 0.000 0.474 358 I N 0.421 120.979 120.570 -0.020 0.000 2.603 358 I HA 0.761 4.943 4.170 0.020 0.000 0.300 358 I C -0.681 175.430 176.117 -0.012 0.000 1.017 358 I CA -0.715 60.573 61.300 -0.020 0.000 1.098 358 I CB 1.613 39.609 38.000 -0.006 0.000 1.279 358 I HN 0.729 nan 8.210 nan 0.000 0.437 359 M N 5.606 125.196 119.600 -0.016 0.000 2.664 359 M HA 0.647 5.139 4.480 0.020 0.000 0.314 359 M C -1.967 174.345 176.300 0.020 0.000 1.200 359 M CA -0.841 54.462 55.300 0.005 0.000 0.916 359 M CB 2.471 35.063 32.600 -0.014 0.000 1.717 359 M HN 0.671 nan 8.290 nan 0.000 0.470 360 L N 2.558 123.805 121.223 0.040 0.000 2.406 360 L HA 0.507 4.859 4.340 0.020 0.000 0.272 360 L C -1.035 175.873 176.870 0.062 0.000 0.980 360 L CA -0.490 54.379 54.840 0.047 0.000 0.831 360 L CB 2.203 44.292 42.059 0.049 0.000 1.253 360 L HN 0.823 nan 8.230 nan 0.000 0.406 361 S N 0.863 116.600 115.700 0.061 0.000 2.652 361 S HA 0.760 5.242 4.470 0.020 0.000 0.252 361 S C 0.285 174.928 174.600 0.070 0.000 1.219 361 S CA 0.056 58.302 58.200 0.076 0.000 1.151 361 S CB 1.644 64.893 63.200 0.082 0.000 1.080 361 S HN 1.037 nan 8.310 nan 0.000 0.481 362 G N 3.453 112.295 108.800 0.070 0.000 2.612 362 G HA2 -0.231 3.742 3.960 0.020 0.000 0.200 362 G HA3 -0.231 3.742 3.960 0.020 0.000 0.200 362 G C 0.563 175.497 174.900 0.057 0.000 1.053 362 G CA 0.145 45.282 45.100 0.061 0.000 0.707 362 G HN 0.583 nan 8.290 nan 0.000 0.497 363 E N 0.500 120.735 120.200 0.060 0.000 2.347 363 E HA 0.196 4.558 4.350 0.020 0.000 0.196 363 E C 2.189 178.829 176.600 0.066 0.000 1.008 363 E CA 1.637 58.077 56.400 0.067 0.000 0.852 363 E CB 0.014 29.753 29.700 0.065 0.000 0.783 363 E HN 0.486 nan 8.360 nan 0.000 0.505 364 T N -1.016 113.574 114.554 0.061 0.000 3.019 364 T HA 0.243 4.605 4.350 0.020 0.000 0.247 364 T C 1.750 176.484 174.700 0.057 0.000 0.992 364 T CA 0.366 62.501 62.100 0.058 0.000 1.036 364 T CB 0.138 69.043 68.868 0.060 0.000 1.063 364 T HN 0.185 nan 8.240 nan 0.000 0.476 365 A N 2.422 125.281 122.820 0.065 0.000 1.855 365 A HA -0.043 4.290 4.320 0.020 0.000 0.215 365 A C 1.645 179.261 177.584 0.052 0.000 1.191 365 A CA 1.860 53.940 52.037 0.071 0.000 0.613 365 A CB -0.184 18.868 19.000 0.087 0.000 0.829 365 A HN 0.507 nan 8.150 nan 0.000 0.442 366 K N -1.179 119.244 120.400 0.038 0.000 2.734 366 K HA 0.420 4.752 4.320 0.020 0.000 0.200 366 K C 0.246 176.849 176.600 0.006 0.000 1.120 366 K CA 0.354 56.651 56.287 0.018 0.000 1.067 366 K CB -0.470 32.035 32.500 0.009 0.000 0.771 366 K HN 0.293 nan 8.250 nan 0.000 0.481 367 G N -0.128 108.680 108.800 0.012 0.000 2.502 367 G HA2 0.233 4.205 3.960 0.020 0.000 0.305 367 G HA3 0.233 4.205 3.960 0.020 0.000 0.305 367 G C -0.375 174.490 174.900 -0.059 0.000 1.190 367 G CA -0.594 44.509 45.100 0.005 0.000 0.933 367 G HN 0.109 nan 8.290 nan 0.000 0.503 368 D N -0.982 119.335 120.400 -0.138 0.000 2.355 368 D HA 0.024 4.676 4.640 0.020 0.000 0.218 368 D C -0.180 175.717 176.300 -0.672 0.000 1.004 368 D CA 0.994 54.745 54.000 -0.414 0.000 0.880 368 D CB 0.283 40.737 40.800 -0.576 0.000 0.911 368 D HN 0.370 nan 8.370 nan 0.000 0.528 369 Y N -0.193 120.117 120.300 0.017 0.000 2.517 369 Y HA 0.208 4.770 4.550 0.020 0.000 0.330 369 Y C -1.615 174.297 175.900 0.020 0.000 0.917 369 Y CA -1.813 56.297 58.100 0.018 0.000 1.131 369 Y CB 1.077 39.547 38.460 0.017 0.000 1.175 369 Y HN -0.095 nan 8.280 nan 0.000 0.620 370 P HA -0.198 nan 4.420 nan 0.000 0.215 370 P C 1.491 178.839 177.300 0.080 0.000 1.157 370 P CA 1.304 64.449 63.100 0.076 0.000 0.868 370 P CB 0.701 32.427 31.700 0.043 0.000 0.788 371 L N -0.182 121.089 121.223 0.080 0.000 2.093 371 L HA -0.121 4.231 4.340 0.020 0.000 0.208 371 L C 2.520 179.436 176.870 0.077 0.000 1.085 371 L CA 1.860 56.741 54.840 0.068 0.000 0.755 371 L CB -1.644 40.452 42.059 0.061 0.000 0.904 371 L HN -0.113 nan 8.230 nan 0.000 0.435 372 E N -0.660 119.608 120.200 0.113 0.000 2.106 372 E HA -0.125 4.237 4.350 0.020 0.000 0.192 372 E C 2.302 178.942 176.600 0.068 0.000 0.984 372 E CA 1.184 57.636 56.400 0.086 0.000 0.806 372 E CB -0.418 29.334 29.700 0.088 0.000 0.750 372 E HN 0.447 nan 8.360 nan 0.000 0.458 373 A N 0.614 123.486 122.820 0.086 0.000 1.877 373 A HA -0.152 4.180 4.320 0.020 0.000 0.216 373 A C 2.471 180.092 177.584 0.061 0.000 1.186 373 A CA 1.766 53.845 52.037 0.069 0.000 0.620 373 A CB -1.002 18.046 19.000 0.080 0.000 0.822 373 A HN 0.264 nan 8.150 nan 0.000 0.443 374 V N -0.786 119.164 119.914 0.060 0.000 2.515 374 V HA -0.194 3.938 4.120 0.020 0.000 0.250 374 V C 2.152 178.292 176.094 0.077 0.000 1.058 374 V CA 2.174 64.508 62.300 0.057 0.000 1.064 374 V CB -0.858 30.987 31.823 0.037 0.000 0.675 374 V HN 0.551 nan 8.190 nan 0.000 0.461 375 R N -0.785 119.755 120.500 0.067 0.000 2.115 375 R HA -0.022 4.330 4.340 0.020 0.000 0.230 375 R C 2.229 178.600 176.300 0.118 0.000 1.111 375 R CA 1.827 57.978 56.100 0.084 0.000 0.976 375 R CB -0.499 29.832 30.300 0.051 0.000 0.870 375 R HN 0.530 nan 8.270 nan 0.000 0.445 376 M N 1.040 120.687 119.600 0.078 0.000 2.156 376 M HA -0.120 4.372 4.480 0.020 0.000 0.264 376 M C 1.899 178.234 176.300 0.059 0.000 1.067 376 M CA 1.737 57.072 55.300 0.058 0.000 1.131 376 M CB -0.124 32.496 32.600 0.033 0.000 1.368 376 M HN 0.012 nan 8.290 nan 0.000 0.416 377 Q N -1.426 118.413 119.800 0.065 0.000 2.084 377 Q HA -0.257 4.096 4.340 0.020 0.000 0.202 377 Q C 2.136 178.171 176.000 0.057 0.000 0.978 377 Q CA 2.012 57.845 55.803 0.051 0.000 0.844 377 Q CB -0.554 28.214 28.738 0.050 0.000 0.898 377 Q HN 0.736 nan 8.270 nan 0.000 0.426 378 H N 0.264 119.345 119.070 0.018 0.000 2.352 378 H HA -0.156 4.412 4.556 0.021 0.000 0.299 378 H C 1.720 177.063 175.328 0.026 0.000 1.097 378 H CA 1.422 57.484 56.048 0.024 0.000 1.311 378 H CB 0.038 29.815 29.762 0.026 0.000 1.377 378 H HN 0.079 nan 8.280 nan 0.000 0.504 379 L N 0.191 121.411 121.223 -0.006 0.000 2.027 379 L HA -0.082 4.270 4.340 0.020 0.000 0.206 379 L C 2.498 179.326 176.870 -0.071 0.000 1.074 379 L CA 1.434 56.248 54.840 -0.043 0.000 0.745 379 L CB -0.702 41.383 42.059 0.044 0.000 0.898 379 L HN 0.431 nan 8.230 nan 0.000 0.433 380 I N -1.031 119.517 120.570 -0.035 0.000 2.226 380 I HA -0.301 3.882 4.170 0.020 0.000 0.245 380 I C 2.591 178.682 176.117 -0.044 0.000 1.100 380 I CA 1.034 62.317 61.300 -0.029 0.000 1.374 380 I CB -0.681 37.313 38.000 -0.011 0.000 1.057 380 I HN 0.223 nan 8.210 nan 0.000 0.413 381 A N 1.501 124.284 122.820 -0.062 0.000 1.859 381 A HA -0.257 4.075 4.320 0.020 0.000 0.217 381 A C 2.440 179.982 177.584 -0.070 0.000 1.198 381 A CA 1.941 53.943 52.037 -0.059 0.000 0.629 381 A CB -0.771 18.189 19.000 -0.066 0.000 0.830 381 A HN 0.327 nan 8.150 nan 0.000 0.446 382 R N -1.008 119.408 120.500 -0.140 0.000 2.091 382 R HA -0.185 4.168 4.340 0.020 0.000 0.238 382 R C 2.256 178.531 176.300 -0.043 0.000 1.136 382 R CA 1.619 57.656 56.100 -0.105 0.000 0.959 382 R CB -0.344 29.858 30.300 -0.164 0.000 0.856 382 R HN 0.622 nan 8.270 nan 0.000 0.437 383 E N 0.695 120.870 120.200 -0.043 0.000 2.051 383 E HA -0.136 4.226 4.350 0.020 0.000 0.192 383 E C 1.867 178.468 176.600 0.002 0.000 0.991 383 E CA 1.671 58.061 56.400 -0.016 0.000 0.799 383 E CB -0.159 29.529 29.700 -0.019 0.000 0.748 383 E HN 0.346 nan 8.360 nan 0.000 0.449 384 A N 0.555 123.375 122.820 0.000 0.000 1.873 384 A HA -0.177 4.155 4.320 0.020 0.000 0.215 384 A C 2.016 179.622 177.584 0.037 0.000 1.186 384 A CA 1.610 53.655 52.037 0.014 0.000 0.616 384 A CB -0.617 18.388 19.000 0.009 0.000 0.823 384 A HN 0.308 nan 8.150 nan 0.000 0.442 385 E N -0.107 120.117 120.200 0.040 0.000 2.114 385 E HA -0.226 4.136 4.350 0.020 0.000 0.199 385 E C 2.171 178.858 176.600 0.145 0.000 1.008 385 E CA 1.266 57.715 56.400 0.081 0.000 0.810 385 E CB -0.310 29.431 29.700 0.068 0.000 0.739 385 E HN 0.638 nan 8.360 nan 0.000 0.456 386 A N 1.030 123.921 122.820 0.119 0.000 1.968 386 A HA 0.074 4.406 4.320 0.020 0.000 0.217 386 A C 2.220 179.907 177.584 0.170 0.000 1.169 386 A CA 1.161 53.296 52.037 0.164 0.000 0.638 386 A CB -0.225 18.829 19.000 0.090 0.000 0.812 386 A HN 0.258 nan 8.150 nan 0.000 0.446 387 A N -0.846 122.034 122.820 0.100 0.000 2.252 387 A HA 0.386 4.718 4.320 0.020 0.000 0.207 387 A C 0.959 178.644 177.584 0.169 0.000 1.194 387 A CA -0.083 52.004 52.037 0.084 0.000 0.809 387 A CB -0.599 18.407 19.000 0.010 0.000 0.814 387 A HN 0.550 nan 8.150 nan 0.000 0.482 388 M N -0.883 118.754 119.600 0.061 0.000 2.243 388 M HA 0.196 4.688 4.480 0.020 0.000 0.341 388 M C -0.158 175.995 176.300 -0.245 0.000 1.130 388 M CA -0.029 55.189 55.300 -0.136 0.000 1.162 388 M CB 0.425 32.767 32.600 -0.429 0.000 1.497 388 M HN 0.295 nan 8.290 nan 0.000 0.456 389 F N 3.522 123.136 119.950 -0.560 0.000 2.509 389 F HA 0.223 4.768 4.527 0.030 0.000 0.344 389 F C 1.194 176.680 175.800 -0.523 0.000 1.197 389 F CA -0.595 56.892 58.000 -0.855 0.000 1.294 389 F CB -0.851 37.442 39.000 -1.178 0.000 1.643 389 F HN 0.574 nan 8.300 nan 0.000 0.596 390 H N 0.971 119.968 119.070 -0.121 0.000 2.265 390 H HA -0.205 4.362 4.556 0.019 0.000 0.293 390 H C 2.330 177.436 175.328 -0.370 0.000 1.089 390 H CA 1.714 57.653 56.048 -0.181 0.000 1.244 390 H CB -0.003 29.625 29.762 -0.224 0.000 1.355 390 H HN 0.344 nan 8.280 nan 0.000 0.485 391 R N 1.425 121.679 120.500 -0.411 0.000 2.134 391 R HA -0.190 4.162 4.340 0.020 0.000 0.248 391 R C 2.278 178.308 176.300 -0.451 0.000 1.143 391 R CA 1.905 57.721 56.100 -0.473 0.000 0.957 391 R CB -0.297 29.726 30.300 -0.461 0.000 0.867 391 R HN 0.183 nan 8.270 nan 0.000 0.441 392 K N 0.177 120.058 120.400 -0.865 0.000 2.031 392 K HA -0.087 4.245 4.320 0.020 0.000 0.205 392 K C 2.046 178.511 176.600 -0.225 0.000 1.049 392 K CA 0.904 56.789 56.287 -0.669 0.000 0.939 392 K CB -0.641 31.142 32.500 -1.194 0.000 0.717 392 K HN 0.091 nan 8.250 nan 0.000 0.438 393 L N 0.225 121.349 121.223 -0.164 0.000 2.012 393 L HA -0.105 4.247 4.340 0.020 0.000 0.210 393 L C 1.985 178.920 176.870 0.109 0.000 1.073 393 L CA 1.692 56.543 54.840 0.019 0.000 0.748 393 L CB -0.794 41.285 42.059 0.033 0.000 0.891 393 L HN 0.256 nan 8.230 nan 0.000 0.431 394 F N 0.738 120.710 119.950 0.036 0.000 2.046 394 F HA -0.250 4.284 4.527 0.011 0.000 0.297 394 F C 2.346 178.199 175.800 0.089 0.000 1.123 394 F CA 2.224 60.314 58.000 0.150 0.000 1.199 394 F CB -0.484 38.664 39.000 0.246 0.000 0.972 394 F HN 0.249 nan 8.300 nan 0.000 0.474 395 E N 0.048 120.304 120.200 0.092 0.000 2.065 395 E HA -0.293 4.069 4.350 0.020 0.000 0.201 395 E C 2.101 178.649 176.600 -0.086 0.000 1.016 395 E CA 2.006 58.388 56.400 -0.030 0.000 0.818 395 E CB -0.523 29.178 29.700 0.003 0.000 0.749 395 E HN 0.607 nan 8.360 nan 0.000 0.453 396 E N 0.336 120.511 120.200 -0.041 0.000 2.153 396 E HA -0.185 4.177 4.350 0.020 0.000 0.194 396 E C 2.033 178.608 176.600 -0.042 0.000 0.988 396 E CA 0.564 56.947 56.400 -0.029 0.000 0.811 396 E CB -0.032 29.672 29.700 0.008 0.000 0.746 396 E HN 0.081 nan 8.360 nan 0.000 0.466 397 L N 0.176 121.371 121.223 -0.047 0.000 2.291 397 L HA -0.011 4.342 4.340 0.020 0.000 0.214 397 L C 1.992 178.857 176.870 -0.009 0.000 1.120 397 L CA 1.241 56.066 54.840 -0.024 0.000 0.799 397 L CB -0.256 41.812 42.059 0.015 0.000 0.925 397 L HN 0.009 nan 8.230 nan 0.000 0.446 398 A N -1.583 121.141 122.820 -0.160 0.000 2.095 398 A HA -0.028 4.304 4.320 0.020 0.000 0.212 398 A C 2.316 179.820 177.584 -0.132 0.000 1.162 398 A CA 0.552 52.466 52.037 -0.205 0.000 0.753 398 A CB -0.231 18.451 19.000 -0.529 0.000 0.840 398 A HN 0.293 nan 8.150 nan 0.000 0.468 399 R N 0.528 120.962 120.500 -0.111 0.000 2.062 399 R HA 0.015 4.368 4.340 0.020 0.000 0.231 399 R C 1.888 178.147 176.300 -0.068 0.000 1.136 399 R CA 1.737 57.787 56.100 -0.084 0.000 0.948 399 R CB -0.627 29.637 30.300 -0.061 0.000 0.845 399 R HN 0.347 nan 8.270 nan 0.000 0.430 400 A N -0.378 122.416 122.820 -0.043 0.000 2.258 400 A HA 0.116 4.448 4.320 0.020 0.000 0.206 400 A C 0.215 177.791 177.584 -0.013 0.000 1.222 400 A CA 0.323 52.345 52.037 -0.026 0.000 0.822 400 A CB -0.193 18.797 19.000 -0.016 0.000 0.804 400 A HN 0.202 nan 8.150 nan 0.000 0.483 401 S N 2.001 117.692 115.700 -0.016 0.000 2.409 401 S HA 0.408 4.890 4.470 0.020 0.000 0.308 401 S C -2.297 172.281 174.600 -0.037 0.000 1.080 401 S CA -0.939 57.270 58.200 0.015 0.000 1.081 401 S CB 0.429 63.663 63.200 0.057 0.000 1.009 401 S HN 0.300 nan 8.310 nan 0.000 0.502 402 P HA 0.036 nan 4.420 nan 0.000 0.270 402 P C -0.544 176.754 177.300 -0.004 0.000 1.221 402 P CA -0.124 62.980 63.100 0.006 0.000 0.788 402 P CB 0.249 31.991 31.700 0.070 0.000 0.904 403 H N -1.031 118.035 119.070 -0.007 0.000 3.034 403 H HA 0.258 4.829 4.556 0.025 0.000 0.324 403 H C 0.590 175.911 175.328 -0.012 0.000 1.015 403 H CA 0.616 56.657 56.048 -0.012 0.000 1.429 403 H CB -0.104 29.651 29.762 -0.011 0.000 1.429 403 H HN 0.117 nan 8.280 nan 0.000 0.585 404 S N 0.932 116.681 115.700 0.081 0.000 2.482 404 S HA 0.279 4.761 4.470 0.020 0.000 0.303 404 S C 0.917 175.526 174.600 0.015 0.000 1.091 404 S CA -0.311 57.910 58.200 0.035 0.000 1.057 404 S CB 0.695 63.898 63.200 0.005 0.000 1.031 404 S HN 0.826 nan 8.310 nan 0.000 0.485 405 T N -0.023 114.532 114.554 0.001 0.000 3.069 405 T HA 0.222 4.584 4.350 0.020 0.000 0.252 405 T C 0.109 174.781 174.700 -0.046 0.000 1.053 405 T CA -0.221 61.871 62.100 -0.013 0.000 0.964 405 T CB -0.087 68.776 68.868 -0.007 0.000 1.005 405 T HN 0.526 nan 8.240 nan 0.000 0.532 406 D N 1.490 121.850 120.400 -0.067 0.000 2.359 406 D HA 0.223 4.875 4.640 0.020 0.000 0.230 406 D C 1.180 177.362 176.300 -0.196 0.000 1.118 406 D CA -0.444 53.472 54.000 -0.139 0.000 0.844 406 D CB 1.040 41.776 40.800 -0.106 0.000 1.059 406 D HN 0.218 nan 8.370 nan 0.000 0.493 407 L N 3.392 124.424 121.223 -0.317 0.000 2.201 407 L HA -0.146 4.206 4.340 0.020 0.000 0.212 407 L C 2.323 178.978 176.870 -0.358 0.000 1.105 407 L CA 0.566 55.230 54.840 -0.293 0.000 0.775 407 L CB -0.395 41.556 42.059 -0.179 0.000 0.913 407 L HN 0.438 nan 8.230 nan 0.000 0.440 408 M N 0.536 119.755 119.600 -0.636 0.000 2.117 408 M HA -0.196 4.296 4.480 0.020 0.000 0.262 408 M C 2.062 178.316 176.300 -0.077 0.000 1.065 408 M CA 1.764 56.870 55.300 -0.324 0.000 1.114 408 M CB -0.374 32.043 32.600 -0.305 0.000 1.361 408 M HN 0.126 nan 8.290 nan 0.000 0.408 409 E N -0.443 119.720 120.200 -0.063 0.000 2.097 409 E HA -0.223 4.139 4.350 0.020 0.000 0.196 409 E C 1.946 178.502 176.600 -0.074 0.000 1.000 409 E CA 1.371 57.791 56.400 0.033 0.000 0.804 409 E CB -0.322 29.412 29.700 0.056 0.000 0.740 409 E HN 0.666 nan 8.360 nan 0.000 0.454 410 A N 1.135 123.909 122.820 -0.077 0.000 1.873 410 A HA -0.182 4.150 4.320 0.020 0.000 0.215 410 A C 2.149 179.710 177.584 -0.038 0.000 1.186 410 A CA 1.235 53.228 52.037 -0.074 0.000 0.616 410 A CB -0.319 18.656 19.000 -0.043 0.000 0.823 410 A HN 0.117 nan 8.150 nan 0.000 0.442 411 M N -0.192 119.418 119.600 0.016 0.000 2.108 411 M HA -0.175 4.317 4.480 0.020 0.000 0.261 411 M C 2.507 178.832 176.300 0.042 0.000 1.066 411 M CA 1.674 57.014 55.300 0.066 0.000 1.107 411 M CB -1.594 31.109 32.600 0.172 0.000 1.356 411 M HN 0.505 nan 8.290 nan 0.000 0.406 412 A N 0.106 122.952 122.820 0.044 0.000 1.851 412 A HA -0.192 4.140 4.320 0.020 0.000 0.216 412 A C 2.255 179.846 177.584 0.011 0.000 1.195 412 A CA 1.945 54.030 52.037 0.079 0.000 0.622 412 A CB -0.676 18.452 19.000 0.213 0.000 0.831 412 A HN 0.485 nan 8.150 nan 0.000 0.444 413 M N -0.563 118.934 119.600 -0.171 0.000 2.159 413 M HA -0.113 4.379 4.480 0.020 0.000 0.263 413 M C 2.276 178.609 176.300 0.055 0.000 1.063 413 M CA 1.431 56.661 55.300 -0.118 0.000 1.110 413 M CB -0.570 31.801 32.600 -0.380 0.000 1.374 413 M HN 0.541 nan 8.290 nan 0.000 0.411 414 G N -0.628 108.166 108.800 -0.010 0.000 2.421 414 G HA2 -0.179 3.793 3.960 0.020 0.000 0.216 414 G HA3 -0.179 3.793 3.960 0.020 0.000 0.216 414 G C 1.580 176.449 174.900 -0.051 0.000 1.171 414 G CA 1.120 46.213 45.100 -0.012 0.000 0.775 414 G HN 0.439 nan 8.290 nan 0.000 0.543 415 S N 0.080 115.754 115.700 -0.043 0.000 2.356 415 S HA -0.113 4.370 4.470 0.020 0.000 0.223 415 S C 2.501 177.004 174.600 -0.162 0.000 1.032 415 S CA 1.183 59.341 58.200 -0.069 0.000 1.005 415 S CB -0.403 62.784 63.200 -0.022 0.000 0.867 415 S HN 0.161 nan 8.310 nan 0.000 0.449 416 V N 1.907 121.707 119.914 -0.190 0.000 2.287 416 V HA -0.201 3.931 4.120 0.020 0.000 0.248 416 V C 2.610 178.225 176.094 -0.798 0.000 1.053 416 V CA 2.182 64.215 62.300 -0.445 0.000 1.027 416 V CB -0.725 30.938 31.823 -0.267 0.000 0.646 416 V HN 0.429 nan 8.190 nan 0.000 0.447 417 E N 0.823 120.664 120.200 -0.598 0.000 2.058 417 E HA -0.220 4.142 4.350 0.020 0.000 0.194 417 E C 2.111 178.559 176.600 -0.253 0.000 0.997 417 E CA 1.868 57.981 56.400 -0.478 0.000 0.801 417 E CB -0.555 29.001 29.700 -0.240 0.000 0.746 417 E HN 0.517 nan 8.360 nan 0.000 0.450 418 A N 0.216 122.920 122.820 -0.194 0.000 1.933 418 A HA -0.201 4.131 4.320 0.020 0.000 0.218 418 A C 2.394 179.900 177.584 -0.131 0.000 1.175 418 A CA 2.339 54.303 52.037 -0.121 0.000 0.628 418 A CB -1.007 17.938 19.000 -0.092 0.000 0.814 418 A HN 0.455 nan 8.150 nan 0.000 0.444 419 S N -1.427 114.145 115.700 -0.214 0.000 2.402 419 S HA -0.167 4.315 4.470 0.020 0.000 0.229 419 S C 1.856 176.384 174.600 -0.120 0.000 1.021 419 S CA 1.336 59.421 58.200 -0.191 0.000 0.974 419 S CB -0.741 62.305 63.200 -0.256 0.000 0.800 419 S HN 0.511 nan 8.310 nan 0.000 0.484 420 Y N 1.954 122.152 120.300 -0.169 0.000 2.200 420 Y HA 0.168 4.733 4.550 0.025 0.000 0.290 420 Y C 2.687 178.512 175.900 -0.124 0.000 1.137 420 Y CA 0.498 58.494 58.100 -0.174 0.000 1.163 420 Y CB -0.588 37.728 38.460 -0.240 0.000 0.988 420 Y HN 0.158 nan 8.280 nan 0.000 0.518 421 K N 0.353 120.783 120.400 0.051 0.000 2.026 421 K HA -0.117 4.215 4.320 0.020 0.000 0.208 421 K C 1.795 178.393 176.600 -0.004 0.000 1.048 421 K CA 1.576 57.868 56.287 0.009 0.000 0.929 421 K CB -0.794 31.699 32.500 -0.011 0.000 0.713 421 K HN 0.493 nan 8.250 nan 0.000 0.439 422 C N 0.512 119.802 119.300 -0.018 0.000 2.614 422 C HA 0.452 4.925 4.460 0.020 0.000 0.299 422 C C 0.846 175.824 174.990 -0.021 0.000 1.293 422 C CA -0.855 58.150 59.018 -0.022 0.000 1.713 422 C CB -1.661 26.058 27.740 -0.034 0.000 1.890 422 C HN 0.417 nan 8.230 nan 0.000 0.602 423 L N 0.625 121.843 121.223 -0.009 0.000 3.954 423 L HA -0.256 4.096 4.340 0.020 0.000 0.462 423 L C 1.209 178.066 176.870 -0.022 0.000 1.195 423 L CA 0.432 55.269 54.840 -0.006 0.000 0.739 423 L CB -2.043 40.016 42.059 0.001 0.000 1.599 423 L HN 0.738 nan 8.230 nan 0.000 0.838 424 A N 0.312 123.107 122.820 -0.043 0.000 2.520 424 A HA 0.434 4.766 4.320 0.020 0.000 0.235 424 A C 1.445 179.004 177.584 -0.042 0.000 1.065 424 A CA 0.676 52.676 52.037 -0.063 0.000 0.764 424 A CB 0.600 19.548 19.000 -0.086 0.000 1.002 424 A HN 0.707 nan 8.150 nan 0.000 0.502 425 A N 1.407 124.198 122.820 -0.048 0.000 2.067 425 A HA 0.488 4.820 4.320 0.020 0.000 0.217 425 A C 1.097 178.740 177.584 0.098 0.000 1.156 425 A CA 1.772 53.839 52.037 0.049 0.000 0.683 425 A CB -0.447 18.612 19.000 0.098 0.000 0.808 425 A HN 2.499 nan 8.150 nan 0.000 0.455 426 A N -2.214 120.603 122.820 -0.004 0.000 2.522 426 A HA 0.571 4.904 4.320 0.020 0.000 0.291 426 A C -2.097 175.478 177.584 -0.016 0.000 1.039 426 A CA -0.628 51.438 52.037 0.049 0.000 0.643 426 A CB 0.119 19.278 19.000 0.265 0.000 1.310 426 A HN 0.348 nan 8.150 nan 0.000 0.436 427 L N 1.048 122.283 121.223 0.020 0.000 2.343 427 L HA 0.583 4.935 4.340 0.020 0.000 0.278 427 L C -0.481 176.415 176.870 0.043 0.000 0.996 427 L CA 0.094 54.936 54.840 0.004 0.000 0.831 427 L CB 1.469 43.527 42.059 -0.001 0.000 1.232 427 L HN 0.588 nan 8.230 nan 0.000 0.413 428 I N 3.812 124.397 120.570 0.026 0.000 2.342 428 I HA 0.462 4.645 4.170 0.020 0.000 0.291 428 I C -0.591 175.548 176.117 0.037 0.000 1.010 428 I CA -0.708 60.620 61.300 0.047 0.000 1.308 428 I CB 1.434 39.450 38.000 0.027 0.000 1.400 428 I HN 0.209 nan 8.210 nan 0.000 0.488 429 V N 7.440 127.383 119.914 0.048 0.000 2.525 429 V HA 0.358 4.490 4.120 0.020 0.000 0.299 429 V C -0.078 176.034 176.094 0.029 0.000 1.034 429 V CA -0.592 61.731 62.300 0.039 0.000 0.863 429 V CB 1.901 33.749 31.823 0.043 0.000 0.999 429 V HN 0.489 nan 8.190 nan 0.000 0.423 430 L N 4.217 125.452 121.223 0.019 0.000 2.281 430 L HA 0.730 5.082 4.340 0.020 0.000 0.285 430 L C 0.239 177.125 176.870 0.028 0.000 1.074 430 L CA 0.338 55.183 54.840 0.009 0.000 0.817 430 L CB 1.444 43.488 42.059 -0.024 0.000 1.168 430 L HN 0.783 nan 8.230 nan 0.000 0.434 431 T N 0.932 115.498 114.554 0.019 0.000 2.885 431 T HA 0.281 4.643 4.350 0.020 0.000 0.322 431 T C -0.066 174.640 174.700 0.011 0.000 1.387 431 T CA -0.420 61.688 62.100 0.013 0.000 1.041 431 T CB 1.860 70.707 68.868 -0.035 0.000 1.287 431 T HN 0.617 nan 8.240 nan 0.000 0.491 432 E N 0.931 121.141 120.200 0.017 0.000 2.306 432 E HA 0.098 4.460 4.350 0.020 0.000 0.201 432 E C 2.113 178.718 176.600 0.008 0.000 0.874 432 E CA 1.134 57.550 56.400 0.026 0.000 0.972 432 E CB -0.160 29.570 29.700 0.051 0.000 0.957 432 E HN 0.655 nan 8.360 nan 0.000 0.492 433 S N -0.462 115.231 115.700 -0.012 0.000 2.470 433 S HA 0.152 4.635 4.470 0.020 0.000 0.225 433 S C 1.726 176.257 174.600 -0.116 0.000 1.006 433 S CA 1.043 59.228 58.200 -0.025 0.000 0.934 433 S CB 0.289 63.481 63.200 -0.014 0.000 0.778 433 S HN 0.318 nan 8.310 nan 0.000 0.517 434 G N 1.835 110.511 108.800 -0.206 0.000 2.217 434 G HA2 -0.325 3.648 3.960 0.020 0.000 0.246 434 G HA3 -0.325 3.648 3.960 0.020 0.000 0.246 434 G C 1.025 175.362 174.900 -0.938 0.000 0.990 434 G CA 0.321 45.142 45.100 -0.466 0.000 0.627 434 G HN 0.481 nan 8.290 nan 0.000 0.522 435 R N 0.815 120.959 120.500 -0.593 0.000 2.143 435 R HA -0.150 4.202 4.340 0.020 0.000 0.239 435 R C 2.807 178.950 176.300 -0.262 0.000 1.126 435 R CA 2.204 58.058 56.100 -0.410 0.000 0.927 435 R CB -0.792 29.439 30.300 -0.115 0.000 0.860 435 R HN 0.425 nan 8.270 nan 0.000 0.433 436 S N 0.394 116.024 115.700 -0.117 0.000 2.372 436 S HA -0.237 4.245 4.470 0.020 0.000 0.227 436 S C 2.076 176.661 174.600 -0.025 0.000 1.044 436 S CA 1.480 59.677 58.200 -0.005 0.000 1.050 436 S CB -0.345 62.899 63.200 0.074 0.000 0.901 436 S HN 0.558 nan 8.310 nan 0.000 0.447 437 A N 1.725 124.485 122.820 -0.099 0.000 1.877 437 A HA -0.172 4.161 4.320 0.020 0.000 0.216 437 A C 1.816 179.397 177.584 -0.005 0.000 1.186 437 A CA 1.735 53.750 52.037 -0.038 0.000 0.620 437 A CB -1.003 17.970 19.000 -0.045 0.000 0.822 437 A HN 0.528 nan 8.150 nan 0.000 0.443 438 H N 0.133 119.059 119.070 -0.241 0.000 2.353 438 H HA -0.143 4.424 4.556 0.020 0.000 0.298 438 H C 2.214 177.492 175.328 -0.083 0.000 1.103 438 H CA 1.749 57.573 56.048 -0.375 0.000 1.293 438 H CB -0.428 29.035 29.762 -0.497 0.000 1.372 438 H HN 0.499 nan 8.280 nan 0.000 0.501 439 Q N 0.163 120.023 119.800 0.101 0.000 2.124 439 Q HA -0.067 4.285 4.340 0.020 0.000 0.202 439 Q C 2.663 178.782 176.000 0.199 0.000 0.977 439 Q CA 0.872 56.756 55.803 0.136 0.000 0.850 439 Q CB -0.458 28.359 28.738 0.131 0.000 0.901 439 Q HN 0.336 nan 8.270 nan 0.000 0.429 440 V N 1.121 121.131 119.914 0.161 0.000 2.358 440 V HA -0.207 3.926 4.120 0.020 0.000 0.246 440 V C 2.378 178.577 176.094 0.175 0.000 1.047 440 V CA 1.625 64.033 62.300 0.179 0.000 1.035 440 V CB -0.997 30.893 31.823 0.111 0.000 0.658 440 V HN 0.301 nan 8.190 nan 0.000 0.452 441 A N 0.139 123.045 122.820 0.143 0.000 1.933 441 A HA -0.250 4.082 4.320 0.020 0.000 0.218 441 A C 2.403 180.057 177.584 0.118 0.000 1.175 441 A CA 1.925 54.053 52.037 0.151 0.000 0.628 441 A CB -0.601 18.516 19.000 0.196 0.000 0.814 441 A HN 0.487 nan 8.150 nan 0.000 0.444 442 R N -1.580 118.950 120.500 0.050 0.000 2.117 442 R HA -0.195 4.157 4.340 0.020 0.000 0.243 442 R C 0.877 177.000 176.300 -0.296 0.000 1.143 442 R CA 1.883 57.892 56.100 -0.151 0.000 0.968 442 R CB -0.354 29.761 30.300 -0.307 0.000 0.863 442 R HN 0.565 nan 8.270 nan 0.000 0.444 443 Y N 1.101 121.484 120.300 0.138 0.000 2.470 443 Y HA 0.217 4.776 4.550 0.016 0.000 0.302 443 Y C 0.020 176.093 175.900 0.288 0.000 1.194 443 Y CA -0.156 58.062 58.100 0.197 0.000 1.271 443 Y CB 0.172 38.775 38.460 0.238 0.000 1.092 443 Y HN -0.047 nan 8.280 nan 0.000 0.513 444 R N 0.078 120.740 120.500 0.270 0.000 3.022 444 R HA -0.169 4.184 4.340 0.020 0.000 0.248 444 R C -2.853 173.640 176.300 0.322 0.000 0.874 444 R CA 0.222 56.490 56.100 0.281 0.000 0.626 444 R CB -1.818 28.654 30.300 0.288 0.000 1.255 444 R HN 0.309 nan 8.270 nan 0.000 0.496 445 P HA 0.065 nan 4.420 nan 0.000 0.274 445 P C 0.540 177.887 177.300 0.079 0.000 1.256 445 P CA -0.391 62.703 63.100 -0.012 0.000 0.795 445 P CB 0.664 32.295 31.700 -0.116 0.000 1.038 446 R N 0.887 121.369 120.500 -0.031 0.000 2.100 446 R HA 0.104 4.456 4.340 0.020 0.000 0.220 446 R C 0.815 177.085 176.300 -0.051 0.000 1.091 446 R CA 0.494 56.500 56.100 -0.156 0.000 0.986 446 R CB -0.422 29.656 30.300 -0.370 0.000 0.888 446 R HN 0.576 nan 8.270 nan 0.000 0.444 447 A N 2.615 125.402 122.820 -0.054 0.000 2.351 447 A HA 0.379 4.711 4.320 0.020 0.000 0.257 447 A C -2.265 175.302 177.584 -0.028 0.000 1.087 447 A CA -1.624 50.387 52.037 -0.044 0.000 0.798 447 A CB 0.129 19.106 19.000 -0.038 0.000 1.033 447 A HN 0.276 nan 8.150 nan 0.000 0.488 448 P HA 0.122 nan 4.420 nan 0.000 0.268 448 P C -0.788 176.547 177.300 0.058 0.000 1.204 448 P CA 0.449 63.523 63.100 -0.043 0.000 0.768 448 P CB 0.431 31.968 31.700 -0.272 0.000 0.842 449 I N 4.503 125.140 120.570 0.113 0.000 2.282 449 I HA 0.235 4.418 4.170 0.020 0.000 0.290 449 I C 0.827 177.059 176.117 0.192 0.000 1.090 449 I CA -0.582 60.795 61.300 0.129 0.000 1.231 449 I CB 0.070 38.142 38.000 0.120 0.000 1.434 449 I HN 0.143 nan 8.210 nan 0.000 0.487 450 I N 6.052 126.740 120.570 0.197 0.000 2.329 450 I HA 0.180 4.362 4.170 0.020 0.000 0.295 450 I C 0.802 177.023 176.117 0.172 0.000 1.109 450 I CA 0.015 61.459 61.300 0.240 0.000 1.297 450 I CB 0.502 38.637 38.000 0.224 0.000 1.433 450 I HN 0.562 nan 8.210 nan 0.000 0.509 451 A N 7.361 130.282 122.820 0.167 0.000 2.260 451 A HA 0.570 4.903 4.320 0.020 0.000 0.312 451 A C -0.234 177.399 177.584 0.081 0.000 1.321 451 A CA -0.408 51.686 52.037 0.095 0.000 0.928 451 A CB 0.461 19.498 19.000 0.062 0.000 1.158 451 A HN 0.459 nan 8.150 nan 0.000 0.542 452 V N 2.675 122.624 119.914 0.057 0.000 2.439 452 V HA 0.711 4.843 4.120 0.020 0.000 0.282 452 V C 0.574 176.679 176.094 0.018 0.000 1.039 452 V CA -0.027 62.297 62.300 0.040 0.000 0.913 452 V CB 1.302 33.141 31.823 0.027 0.000 0.983 452 V HN 0.989 nan 8.190 nan 0.000 0.460 453 T N 3.920 118.481 114.554 0.011 0.000 2.843 453 T HA 0.425 4.787 4.350 0.020 0.000 0.302 453 T C 0.348 175.050 174.700 0.003 0.000 1.232 453 T CA -0.619 61.486 62.100 0.009 0.000 1.009 453 T CB 1.834 70.708 68.868 0.010 0.000 1.254 453 T HN 0.629 nan 8.240 nan 0.000 0.504 454 R N 1.103 121.621 120.500 0.030 0.000 2.334 454 R HA 0.223 4.576 4.340 0.020 0.000 0.212 454 R C 0.381 176.756 176.300 0.127 0.000 0.897 454 R CA -0.233 55.900 56.100 0.055 0.000 1.056 454 R CB 0.224 30.566 30.300 0.070 0.000 1.046 454 R HN 0.363 nan 8.270 nan 0.000 0.513 455 N N 1.180 119.940 118.700 0.100 0.000 2.555 455 N HA -0.019 4.734 4.740 0.020 0.000 0.244 455 N C 0.300 175.904 175.510 0.158 0.000 1.114 455 N CA 0.153 53.287 53.050 0.141 0.000 0.963 455 N CB 0.451 38.991 38.487 0.088 0.000 1.276 455 N HN 0.130 nan 8.380 nan 0.000 0.510 456 H N 1.320 120.421 119.070 0.052 0.000 2.400 456 H HA -0.222 4.346 4.556 0.021 0.000 0.295 456 H C 1.801 177.170 175.328 0.068 0.000 1.118 456 H CA 2.252 58.342 56.048 0.070 0.000 1.256 456 H CB 0.248 30.050 29.762 0.067 0.000 1.365 456 H HN 0.655 nan 8.280 nan 0.000 0.502 457 Q N 0.178 120.089 119.800 0.185 0.000 2.049 457 Q HA -0.146 4.206 4.340 0.020 0.000 0.198 457 Q C 2.280 178.341 176.000 0.102 0.000 0.971 457 Q CA 2.138 58.014 55.803 0.123 0.000 0.833 457 Q CB -0.021 28.773 28.738 0.094 0.000 0.896 457 Q HN 0.616 nan 8.270 nan 0.000 0.434 458 T N -1.854 112.756 114.554 0.094 0.000 2.881 458 T HA -0.032 4.331 4.350 0.020 0.000 0.270 458 T C 1.754 176.493 174.700 0.065 0.000 1.068 458 T CA 1.032 63.186 62.100 0.090 0.000 1.131 458 T CB -0.377 68.529 68.868 0.064 0.000 0.871 458 T HN 0.374 nan 8.240 nan 0.000 0.479 459 A N 1.852 124.693 122.820 0.035 0.000 1.872 459 A HA 0.082 4.415 4.320 0.020 0.000 0.214 459 A C 2.608 180.143 177.584 -0.081 0.000 1.187 459 A CA 1.199 53.218 52.037 -0.030 0.000 0.614 459 A CB -0.631 18.353 19.000 -0.026 0.000 0.826 459 A HN 0.491 nan 8.150 nan 0.000 0.442 460 R N -0.511 120.002 120.500 0.021 0.000 2.081 460 R HA -0.126 4.227 4.340 0.020 0.000 0.235 460 R C 2.386 178.749 176.300 0.105 0.000 1.131 460 R CA 1.715 57.863 56.100 0.080 0.000 0.960 460 R CB -0.242 30.128 30.300 0.118 0.000 0.856 460 R HN 0.686 nan 8.270 nan 0.000 0.436 461 Q N -0.501 119.361 119.800 0.103 0.000 2.297 461 Q HA 0.009 4.361 4.340 0.020 0.000 0.204 461 Q C 2.030 178.147 176.000 0.196 0.000 0.962 461 Q CA 0.892 56.785 55.803 0.151 0.000 0.879 461 Q CB 0.083 28.920 28.738 0.165 0.000 0.947 461 Q HN 0.320 nan 8.270 nan 0.000 0.462 462 A N 0.872 123.765 122.820 0.123 0.000 1.986 462 A HA -0.255 4.077 4.320 0.020 0.000 0.220 462 A C 1.394 179.078 177.584 0.167 0.000 1.171 462 A CA 1.659 53.791 52.037 0.158 0.000 0.640 462 A CB -0.826 18.169 19.000 -0.009 0.000 0.811 462 A HN 0.445 nan 8.150 nan 0.000 0.451 463 H N -0.543 118.604 119.070 0.130 0.000 2.460 463 H HA -0.089 4.479 4.556 0.020 0.000 0.297 463 H C 1.705 177.070 175.328 0.061 0.000 1.103 463 H CA 1.367 57.456 56.048 0.070 0.000 1.292 463 H CB -0.242 29.531 29.762 0.018 0.000 1.376 463 H HN 0.429 nan 8.280 nan 0.000 0.531 464 L N -0.056 121.254 121.223 0.145 0.000 2.353 464 L HA -0.154 4.198 4.340 0.020 0.000 0.220 464 L C -0.053 176.645 176.870 -0.286 0.000 1.133 464 L CA 0.592 55.374 54.840 -0.096 0.000 0.798 464 L CB -0.133 41.785 42.059 -0.236 0.000 0.922 464 L HN 0.283 nan 8.230 nan 0.000 0.445 465 Y N -0.565 119.735 120.300 -0.000 0.000 2.326 465 Y HA 0.360 4.921 4.550 0.019 0.000 0.337 465 Y C 0.701 176.626 175.900 0.042 0.000 1.023 465 Y CA -1.222 56.876 58.100 -0.004 0.000 1.143 465 Y CB 0.658 39.106 38.460 -0.020 0.000 1.183 465 Y HN -0.101 nan 8.280 nan 0.000 0.485 466 R N 1.679 122.265 120.500 0.143 0.000 2.537 466 R HA 0.243 4.595 4.340 0.020 0.000 0.281 466 R C 1.228 177.623 176.300 0.159 0.000 0.988 466 R CA 1.203 57.377 56.100 0.124 0.000 1.077 466 R CB -0.395 29.963 30.300 0.097 0.000 0.932 466 R HN 0.970 nan 8.270 nan 0.000 0.409 467 G N 3.805 112.692 108.800 0.145 0.000 2.284 467 G HA2 -0.319 3.653 3.960 0.020 0.000 0.261 467 G HA3 -0.319 3.653 3.960 0.020 0.000 0.261 467 G C 0.291 175.295 174.900 0.174 0.000 0.997 467 G CA 0.390 45.577 45.100 0.145 0.000 0.621 467 G HN 0.589 nan 8.290 nan 0.000 0.534 468 I N 1.131 121.814 120.570 0.188 0.000 2.379 468 I HA 0.353 4.535 4.170 0.020 0.000 0.290 468 I C 0.009 176.233 176.117 0.178 0.000 1.063 468 I CA -0.532 60.876 61.300 0.180 0.000 1.351 468 I CB 0.494 38.587 38.000 0.155 0.000 1.410 468 I HN 0.092 nan 8.210 nan 0.000 0.505 469 F N 10.516 130.524 119.950 0.097 0.000 2.303 469 F HA 0.415 4.954 4.527 0.020 0.000 0.368 469 F C -1.974 173.861 175.800 0.059 0.000 1.105 469 F CA -2.913 55.158 58.000 0.119 0.000 1.153 469 F CB 0.493 39.623 39.000 0.217 0.000 1.362 469 F HN 0.276 nan 8.300 nan 0.000 0.511 470 P HA 0.061 nan 4.420 nan 0.000 0.267 470 P C -1.053 176.273 177.300 0.044 0.000 1.205 470 P CA 0.124 63.179 63.100 -0.074 0.000 0.765 470 P CB 1.789 33.312 31.700 -0.296 0.000 0.828 471 V N 4.870 124.847 119.914 0.103 0.000 2.419 471 V HA 0.089 4.222 4.120 0.020 0.000 0.287 471 V C 0.266 176.398 176.094 0.063 0.000 1.017 471 V CA -0.813 61.566 62.300 0.132 0.000 0.844 471 V CB 2.073 33.999 31.823 0.171 0.000 1.011 471 V HN 0.265 nan 8.190 nan 0.000 0.429 472 V N 4.232 124.180 119.914 0.056 0.000 2.439 472 V HA 0.106 4.238 4.120 0.020 0.000 0.271 472 V C 0.613 176.680 176.094 -0.045 0.000 1.040 472 V CA -0.152 62.114 62.300 -0.055 0.000 1.002 472 V CB 0.966 32.683 31.823 -0.176 0.000 1.000 472 V HN 1.000 nan 8.190 nan 0.000 0.477 473 C N 6.704 125.979 119.300 -0.042 0.000 2.394 473 C HA 0.362 4.834 4.460 0.020 0.000 0.362 473 C C 1.412 176.395 174.990 -0.013 0.000 1.268 473 C CA -0.484 58.524 59.018 -0.017 0.000 1.828 473 C CB -0.323 27.413 27.740 -0.008 0.000 2.442 473 C HN 1.019 nan 8.230 nan 0.000 0.549 474 K N 2.438 122.836 120.400 -0.003 0.000 2.354 474 K HA 0.121 4.453 4.320 0.020 0.000 0.194 474 K C 0.218 176.832 176.600 0.022 0.000 1.038 474 K CA -0.070 56.232 56.287 0.025 0.000 1.052 474 K CB 0.162 32.669 32.500 0.012 0.000 0.861 474 K HN 0.735 nan 8.250 nan 0.000 0.535 475 D N 3.180 123.585 120.400 0.008 0.000 2.423 475 D HA 0.030 4.682 4.640 0.020 0.000 0.238 475 D C -2.148 174.158 176.300 0.010 0.000 1.142 475 D CA -0.818 53.184 54.000 0.004 0.000 0.884 475 D CB 0.720 41.516 40.800 -0.008 0.000 1.199 475 D HN 0.060 nan 8.370 nan 0.000 0.438 476 P HA 0.008 nan 4.420 nan 0.000 0.274 476 P C -0.091 177.215 177.300 0.011 0.000 1.231 476 P CA -0.538 62.571 63.100 0.014 0.000 0.790 476 P CB 0.904 32.611 31.700 0.011 0.000 0.951 477 V N 2.235 122.162 119.914 0.022 0.000 2.493 477 V HA -0.041 4.091 4.120 0.020 0.000 0.292 477 V C 0.440 176.547 176.094 0.022 0.000 1.016 477 V CA 0.320 62.637 62.300 0.028 0.000 1.097 477 V CB -0.290 31.567 31.823 0.056 0.000 0.947 477 V HN 0.477 nan 8.190 nan 0.000 0.479 478 Q N 4.787 124.592 119.800 0.008 0.000 2.454 478 Q HA 0.192 4.545 4.340 0.020 0.000 0.247 478 Q C 1.204 177.221 176.000 0.028 0.000 1.028 478 Q CA 0.289 56.095 55.803 0.004 0.000 0.910 478 Q CB 0.745 29.469 28.738 -0.024 0.000 1.276 478 Q HN 0.835 nan 8.270 nan 0.000 0.489 479 E N 0.666 120.878 120.200 0.020 0.000 2.017 479 E HA -0.091 4.271 4.350 0.020 0.000 0.193 479 E C -0.212 176.416 176.600 0.048 0.000 0.997 479 E CA 1.260 57.678 56.400 0.029 0.000 0.804 479 E CB -0.307 29.402 29.700 0.015 0.000 0.757 479 E HN 0.605 nan 8.360 nan 0.000 0.448 480 A N 1.869 124.710 122.820 0.035 0.000 2.309 480 A HA 0.047 4.379 4.320 0.020 0.000 0.290 480 A C 0.799 178.432 177.584 0.081 0.000 1.206 480 A CA -0.439 51.628 52.037 0.051 0.000 0.850 480 A CB -0.266 18.740 19.000 0.011 0.000 1.118 480 A HN 0.500 nan 8.150 nan 0.000 0.523 481 W N 3.179 124.431 121.300 -0.080 0.000 2.308 481 W HA -0.323 4.349 4.660 0.020 0.000 0.301 481 W C 1.585 178.038 176.519 -0.110 0.000 1.220 481 W CA 2.227 59.516 57.345 -0.094 0.000 1.240 481 W CB -0.119 29.270 29.460 -0.118 0.000 1.142 481 W HN 0.775 nan 8.180 nan 0.000 0.521 482 A N 0.562 123.316 122.820 -0.110 0.000 1.902 482 A HA -0.237 4.096 4.320 0.020 0.000 0.217 482 A C 1.838 179.279 177.584 -0.239 0.000 1.181 482 A CA 1.906 53.800 52.037 -0.239 0.000 0.623 482 A CB -0.925 17.994 19.000 -0.134 0.000 0.818 482 A HN 0.483 nan 8.150 nan 0.000 0.443 483 E N -0.792 119.316 120.200 -0.154 0.000 2.107 483 E HA -0.178 4.184 4.350 0.020 0.000 0.191 483 E C 1.652 178.153 176.600 -0.166 0.000 0.982 483 E CA 1.004 57.326 56.400 -0.129 0.000 0.809 483 E CB -0.140 29.516 29.700 -0.074 0.000 0.756 483 E HN 0.637 nan 8.360 nan 0.000 0.459 484 D N -0.001 120.279 120.400 -0.200 0.000 2.144 484 D HA -0.129 4.523 4.640 0.020 0.000 0.199 484 D C 1.802 177.902 176.300 -0.333 0.000 0.984 484 D CA 0.666 54.533 54.000 -0.221 0.000 0.834 484 D CB 0.207 40.894 40.800 -0.188 0.000 0.955 484 D HN -0.057 nan 8.370 nan 0.000 0.465 485 V N 0.661 120.271 119.914 -0.506 0.000 2.244 485 V HA -0.184 3.948 4.120 0.020 0.000 0.244 485 V C 1.890 177.818 176.094 -0.276 0.000 1.042 485 V CA 1.902 63.902 62.300 -0.501 0.000 1.006 485 V CB -0.542 30.893 31.823 -0.647 0.000 0.641 485 V HN 0.198 nan 8.190 nan 0.000 0.446 486 D N -0.131 120.134 120.400 -0.225 0.000 2.271 486 D HA -0.171 4.481 4.640 0.020 0.000 0.207 486 D C 1.953 178.187 176.300 -0.109 0.000 0.983 486 D CA 1.169 55.084 54.000 -0.141 0.000 0.878 486 D CB -0.064 40.667 40.800 -0.115 0.000 0.920 486 D HN 0.426 nan 8.370 nan 0.000 0.479 487 L N 0.477 121.626 121.223 -0.122 0.000 2.007 487 L HA -0.121 4.231 4.340 0.020 0.000 0.205 487 L C 2.350 179.176 176.870 -0.073 0.000 1.073 487 L CA 1.136 55.924 54.840 -0.086 0.000 0.744 487 L CB -0.001 42.006 42.059 -0.086 0.000 0.898 487 L HN -0.190 nan 8.230 nan 0.000 0.435 488 R N -0.729 119.714 120.500 -0.096 0.000 2.152 488 R HA -0.124 4.228 4.340 0.020 0.000 0.232 488 R C 2.021 178.292 176.300 -0.048 0.000 1.117 488 R CA 1.391 57.449 56.100 -0.068 0.000 0.981 488 R CB -0.489 29.757 30.300 -0.090 0.000 0.870 488 R HN 0.309 nan 8.270 nan 0.000 0.451 489 V N 0.920 120.794 119.914 -0.067 0.000 2.453 489 V HA -0.196 3.936 4.120 0.020 0.000 0.247 489 V C 1.463 177.549 176.094 -0.014 0.000 1.048 489 V CA 1.840 64.115 62.300 -0.042 0.000 1.049 489 V CB -0.487 31.297 31.823 -0.065 0.000 0.672 489 V HN 0.403 nan 8.190 nan 0.000 0.457 490 N N 0.003 118.688 118.700 -0.024 0.000 2.244 490 N HA -0.140 4.612 4.740 0.020 0.000 0.183 490 N C 1.726 177.241 175.510 0.008 0.000 1.016 490 N CA 0.816 53.862 53.050 -0.006 0.000 0.866 490 N CB -0.111 38.364 38.487 -0.019 0.000 0.980 490 N HN 0.321 nan 8.380 nan 0.000 0.430 491 L N 1.358 122.582 121.223 0.001 0.000 2.017 491 L HA -0.035 4.317 4.340 0.020 0.000 0.208 491 L C 2.130 179.016 176.870 0.028 0.000 1.073 491 L CA 1.465 56.311 54.840 0.010 0.000 0.745 491 L CB -0.897 41.166 42.059 0.007 0.000 0.894 491 L HN 0.071 nan 8.230 nan 0.000 0.432 492 A N -0.743 122.104 122.820 0.045 0.000 1.902 492 A HA -0.195 4.137 4.320 0.020 0.000 0.217 492 A C 2.234 179.901 177.584 0.138 0.000 1.181 492 A CA 1.990 54.078 52.037 0.085 0.000 0.623 492 A CB -0.529 18.528 19.000 0.095 0.000 0.818 492 A HN 0.490 nan 8.150 nan 0.000 0.443 493 M N -0.077 119.608 119.600 0.141 0.000 2.080 493 M HA -0.196 4.296 4.480 0.020 0.000 0.260 493 M C 1.835 178.232 176.300 0.162 0.000 1.068 493 M CA 1.760 57.201 55.300 0.236 0.000 1.109 493 M CB -1.625 31.048 32.600 0.122 0.000 1.342 493 M HN 0.580 nan 8.290 nan 0.000 0.405 494 N N -0.348 118.380 118.700 0.046 0.000 2.106 494 N HA -0.115 4.637 4.740 0.020 0.000 0.188 494 N C 1.756 177.196 175.510 -0.116 0.000 1.029 494 N CA 0.959 53.994 53.050 -0.024 0.000 0.848 494 N CB 0.035 38.512 38.487 -0.017 0.000 1.007 494 N HN 0.046 nan 8.380 nan 0.000 0.423 495 V N 1.032 120.877 119.914 -0.114 0.000 2.324 495 V HA -0.225 3.908 4.120 0.020 0.000 0.250 495 V C 2.397 178.199 176.094 -0.486 0.000 1.060 495 V CA 2.165 64.334 62.300 -0.217 0.000 1.042 495 V CB -1.193 30.552 31.823 -0.129 0.000 0.650 495 V HN 0.460 nan 8.190 nan 0.000 0.450 496 G N -0.510 107.998 108.800 -0.487 0.000 2.421 496 G HA2 -0.258 3.714 3.960 0.020 0.000 0.216 496 G HA3 -0.258 3.714 3.960 0.020 0.000 0.216 496 G C 1.660 175.899 174.900 -1.102 0.000 1.171 496 G CA 0.927 45.403 45.100 -1.041 0.000 0.775 496 G HN 0.477 nan 8.290 nan 0.000 0.543 497 K N 0.528 120.556 120.400 -0.620 0.000 2.097 497 K HA 0.043 4.375 4.320 0.020 0.000 0.206 497 K C 2.927 179.328 176.600 -0.331 0.000 1.049 497 K CA 0.968 57.039 56.287 -0.361 0.000 0.933 497 K CB -0.196 32.235 32.500 -0.115 0.000 0.717 497 K HN 0.279 nan 8.250 nan 0.000 0.442 498 A N 1.183 123.802 122.820 -0.335 0.000 1.898 498 A HA -0.131 4.202 4.320 0.020 0.000 0.216 498 A C 1.959 179.332 177.584 -0.351 0.000 1.181 498 A CA 1.336 53.210 52.037 -0.271 0.000 0.620 498 A CB -0.250 18.621 19.000 -0.214 0.000 0.819 498 A HN 0.088 nan 8.150 nan 0.000 0.442 499 R N -1.012 119.114 120.500 -0.623 0.000 2.323 499 R HA 0.194 4.546 4.340 0.020 0.000 0.198 499 R C 1.187 177.188 176.300 -0.497 0.000 0.988 499 R CA 0.773 56.423 56.100 -0.750 0.000 1.041 499 R CB -0.486 28.818 30.300 -1.659 0.000 0.926 499 R HN 0.782 nan 8.270 nan 0.000 0.476 500 G N -0.340 108.234 108.800 -0.376 0.000 2.176 500 G HA2 -0.266 3.706 3.960 0.020 0.000 0.252 500 G HA3 -0.266 3.706 3.960 0.020 0.000 0.252 500 G C 0.444 175.372 174.900 0.047 0.000 1.024 500 G CA 0.230 45.252 45.100 -0.130 0.000 0.755 500 G HN 0.272 nan 8.290 nan 0.000 0.507 501 F N -0.436 119.286 119.950 -0.381 0.000 2.416 501 F HA 0.383 4.923 4.527 0.022 0.000 0.296 501 F C 1.280 177.001 175.800 -0.132 0.000 1.099 501 F CA 0.402 58.212 58.000 -0.317 0.000 1.427 501 F CB -0.502 38.201 39.000 -0.496 0.000 1.079 501 F HN 0.457 nan 8.300 nan 0.000 0.536 502 F N -1.408 118.623 119.950 0.135 0.000 2.725 502 F HA 0.485 5.024 4.527 0.020 0.000 0.311 502 F C -0.948 174.865 175.800 0.022 0.000 1.121 502 F CA -2.368 55.670 58.000 0.063 0.000 0.978 502 F CB 0.539 39.572 39.000 0.055 0.000 1.274 502 F HN -0.188 nan 8.300 nan 0.000 0.440 503 K N 0.738 121.300 120.400 0.270 0.000 2.245 503 K HA 0.489 4.821 4.320 0.020 0.000 0.234 503 K C -0.710 175.985 176.600 0.160 0.000 1.021 503 K CA -1.270 55.113 56.287 0.161 0.000 0.898 503 K CB 1.550 34.102 32.500 0.085 0.000 1.163 503 K HN 0.663 nan 8.250 nan 0.000 0.459 504 K N 0.496 120.956 120.400 0.099 0.000 2.430 504 K HA -0.046 4.287 4.320 0.020 0.000 0.280 504 K C 0.340 176.966 176.600 0.043 0.000 1.063 504 K CA 1.565 57.891 56.287 0.065 0.000 1.071 504 K CB -0.329 32.196 32.500 0.041 0.000 0.899 504 K HN 0.971 nan 8.250 nan 0.000 0.473 505 G N 3.822 112.636 108.800 0.024 0.000 2.284 505 G HA2 -0.172 3.800 3.960 0.020 0.000 0.201 505 G HA3 -0.172 3.800 3.960 0.020 0.000 0.201 505 G C -0.098 174.799 174.900 -0.006 0.000 0.998 505 G CA -0.194 44.910 45.100 0.007 0.000 0.651 505 G HN 0.653 nan 8.290 nan 0.000 0.489 506 D N 0.237 120.637 120.400 -0.001 0.000 2.371 506 D HA 0.499 5.151 4.640 0.020 0.000 0.242 506 D C 0.540 176.781 176.300 -0.099 0.000 1.218 506 D CA 0.196 54.180 54.000 -0.026 0.000 0.945 506 D CB 1.693 42.505 40.800 0.021 0.000 1.137 506 D HN 0.194 nan 8.370 nan 0.000 0.464 507 V N 0.715 120.565 119.914 -0.107 0.000 2.513 507 V HA 0.499 4.631 4.120 0.020 0.000 0.299 507 V C 0.227 176.207 176.094 -0.190 0.000 1.035 507 V CA -0.692 61.530 62.300 -0.131 0.000 0.889 507 V CB 1.616 33.391 31.823 -0.080 0.000 0.988 507 V HN 0.429 nan 8.190 nan 0.000 0.440 508 V N 3.219 123.001 119.914 -0.220 0.000 3.007 508 V HA 0.737 4.869 4.120 0.020 0.000 0.311 508 V C -0.589 175.417 176.094 -0.147 0.000 1.120 508 V CA -0.942 61.219 62.300 -0.232 0.000 0.980 508 V CB 2.073 33.656 31.823 -0.401 0.000 1.033 508 V HN 0.900 nan 8.190 nan 0.000 0.429 509 I N 1.320 121.825 120.570 -0.108 0.000 2.392 509 I HA 0.870 5.053 4.170 0.020 0.000 0.295 509 I C -0.880 175.205 176.117 -0.053 0.000 0.985 509 I CA -0.805 60.452 61.300 -0.073 0.000 1.221 509 I CB 1.883 39.844 38.000 -0.065 0.000 1.366 509 I HN 0.450 nan 8.210 nan 0.000 0.467 510 V N 7.160 127.052 119.914 -0.036 0.000 2.409 510 V HA 0.410 4.542 4.120 0.020 0.000 0.291 510 V C 0.018 176.117 176.094 0.008 0.000 1.020 510 V CA -0.496 61.793 62.300 -0.018 0.000 0.848 510 V CB 1.532 33.339 31.823 -0.026 0.000 0.990 510 V HN 0.611 nan 8.190 nan 0.000 0.430 511 L N 5.921 127.156 121.223 0.020 0.000 2.276 511 L HA 0.665 5.017 4.340 0.020 0.000 0.286 511 L C 0.426 177.324 176.870 0.047 0.000 1.024 511 L CA 0.030 54.896 54.840 0.044 0.000 0.826 511 L CB 1.632 43.724 42.059 0.055 0.000 1.211 511 L HN 0.903 nan 8.230 nan 0.000 0.422 512 T N -0.428 114.164 114.554 0.063 0.000 2.831 512 T HA 0.702 5.064 4.350 0.020 0.000 0.287 512 T C -0.012 174.766 174.700 0.131 0.000 1.070 512 T CA -0.728 61.413 62.100 0.069 0.000 1.010 512 T CB 1.857 70.736 68.868 0.019 0.000 1.264 512 T HN 0.455 nan 8.240 nan 0.000 0.532 513 G N -0.608 108.329 108.800 0.228 0.000 2.348 513 G HA2 0.398 4.370 3.960 0.020 0.000 0.312 513 G HA3 0.398 4.370 3.960 0.020 0.000 0.312 513 G C 0.340 175.512 174.900 0.455 0.000 1.126 513 G CA -0.891 44.383 45.100 0.291 0.000 0.865 513 G HN 0.803 nan 8.290 nan 0.000 0.474 514 W N 3.564 124.924 121.300 0.100 0.000 2.354 514 W HA -0.022 4.651 4.660 0.021 0.000 0.315 514 W C 1.032 177.661 176.519 0.184 0.000 1.206 514 W CA 1.006 58.425 57.345 0.124 0.000 1.290 514 W CB 0.331 29.788 29.460 -0.006 0.000 1.152 514 W HN 0.553 nan 8.180 nan 0.000 0.489 515 R N 0.321 120.788 120.500 -0.055 0.000 2.803 515 R HA 0.291 4.643 4.340 0.020 0.000 0.276 515 R C -1.781 173.806 176.300 -1.190 0.000 0.978 515 R CA -1.434 54.291 56.100 -0.624 0.000 0.939 515 R CB 1.116 31.226 30.300 -0.317 0.000 1.179 515 R HN -0.225 nan 8.270 nan 0.000 0.472 516 P HA -0.171 nan 4.420 nan 0.000 0.220 516 P C 1.008 177.836 177.300 -0.786 0.000 1.144 516 P CA 1.838 63.742 63.100 -1.993 0.000 0.800 516 P CB -0.034 30.934 31.700 -1.221 0.000 0.772 517 G N -0.555 107.933 108.800 -0.519 0.000 2.813 517 G HA2 -0.032 3.941 3.960 0.020 0.000 0.209 517 G HA3 -0.032 3.941 3.960 0.020 0.000 0.209 517 G C 0.510 175.302 174.900 -0.180 0.000 1.150 517 G CA -0.064 44.878 45.100 -0.264 0.000 0.785 517 G HN 0.219 nan 8.290 nan 0.000 0.535 518 S N 0.396 115.970 115.700 -0.210 0.000 2.546 518 S HA 0.288 4.770 4.470 0.020 0.000 0.290 518 S C 1.612 176.157 174.600 -0.091 0.000 1.290 518 S CA 0.160 58.264 58.200 -0.159 0.000 1.069 518 S CB 1.439 64.526 63.200 -0.189 0.000 0.846 518 S HN 0.318 nan 8.310 nan 0.000 0.495 519 G N 1.714 110.510 108.800 -0.007 0.000 2.848 519 G HA2 0.348 4.321 3.960 0.020 0.000 0.208 519 G HA3 0.348 4.321 3.960 0.020 0.000 0.208 519 G C 0.054 175.125 174.900 0.285 0.000 1.152 519 G CA 0.152 45.338 45.100 0.144 0.000 0.789 519 G HN 0.683 nan 8.290 nan 0.000 0.531 520 F N -3.552 116.423 119.950 0.042 0.000 3.194 520 F HA 0.492 5.032 4.527 0.021 0.000 0.327 520 F C -0.708 175.137 175.800 0.074 0.000 1.141 520 F CA -1.446 56.581 58.000 0.045 0.000 0.862 520 F CB 0.542 39.561 39.000 0.031 0.000 1.447 520 F HN -0.308 nan 8.300 nan 0.000 0.479 521 T N 2.154 116.815 114.554 0.177 0.000 2.855 521 T HA 0.202 4.564 4.350 0.020 0.000 0.290 521 T C 0.438 175.148 174.700 0.016 0.000 0.941 521 T CA 0.054 62.193 62.100 0.065 0.000 1.030 521 T CB -0.753 68.203 68.868 0.147 0.000 0.935 521 T HN 0.644 nan 8.240 nan 0.000 0.564 522 N N 1.095 119.608 118.700 -0.312 0.000 2.230 522 N HA 0.054 4.807 4.740 0.020 0.000 0.202 522 N C -0.229 175.274 175.510 -0.012 0.000 1.119 522 N CA -0.464 52.467 53.050 -0.198 0.000 0.851 522 N CB 0.550 38.743 38.487 -0.490 0.000 0.990 522 N HN 0.263 nan 8.380 nan 0.000 0.497 523 T N 1.150 115.737 114.554 0.055 0.000 2.840 523 T HA 0.523 4.885 4.350 0.020 0.000 0.287 523 T C -0.513 174.241 174.700 0.089 0.000 0.991 523 T CA -0.743 61.422 62.100 0.108 0.000 0.964 523 T CB 1.334 70.365 68.868 0.272 0.000 0.954 523 T HN 0.346 nan 8.240 nan 0.000 0.438 524 M N 2.387 122.024 119.600 0.061 0.000 2.530 524 M HA 0.825 5.317 4.480 0.020 0.000 0.307 524 M C -1.115 175.203 176.300 0.029 0.000 1.161 524 M CA -0.514 54.810 55.300 0.040 0.000 0.903 524 M CB 2.236 34.851 32.600 0.025 0.000 1.711 524 M HN 0.351 nan 8.290 nan 0.000 0.451 525 R N 1.533 122.041 120.500 0.014 0.000 2.740 525 R HA 0.775 5.127 4.340 0.020 0.000 0.273 525 R C -1.717 174.571 176.300 -0.021 0.000 0.998 525 R CA -1.119 54.984 56.100 0.005 0.000 0.900 525 R CB 2.787 33.096 30.300 0.016 0.000 1.223 525 R HN 0.645 nan 8.270 nan 0.000 0.466 526 V N 3.064 122.962 119.914 -0.026 0.000 2.370 526 V HA 0.459 4.591 4.120 0.020 0.000 0.279 526 V C -0.430 175.637 176.094 -0.045 0.000 1.029 526 V CA -0.425 61.849 62.300 -0.043 0.000 0.870 526 V CB 1.541 33.341 31.823 -0.039 0.000 0.984 526 V HN 0.433 nan 8.190 nan 0.000 0.451 527 V N 6.712 126.586 119.914 -0.066 0.000 2.925 527 V HA 0.494 4.626 4.120 0.020 0.000 0.311 527 V C -2.706 173.333 176.094 -0.093 0.000 1.104 527 V CA -2.116 60.143 62.300 -0.068 0.000 0.954 527 V CB 2.618 34.401 31.823 -0.066 0.000 1.022 527 V HN 0.656 nan 8.190 nan 0.000 0.427 528 P HA 0.222 nan 4.420 nan 0.000 0.286 528 P C 0.690 177.937 177.300 -0.088 0.000 1.269 528 P CA -0.023 63.032 63.100 -0.076 0.000 0.787 528 P CB 1.568 33.242 31.700 -0.044 0.000 0.920 529 V N 4.984 124.826 119.914 -0.119 0.000 2.343 529 V HA -0.047 4.085 4.120 0.020 0.000 0.247 529 V C -1.406 174.680 176.094 -0.013 0.000 1.051 529 V CA 1.360 63.595 62.300 -0.107 0.000 1.036 529 V CB -1.891 29.849 31.823 -0.138 0.000 0.654 529 V HN 0.581 nan 8.190 nan 0.000 0.451 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.108 63.100 0.013 0.000 0.800 530 P CB 0.000 31.700 31.700 0.000 0.000 0.726