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 1ti2_1_I DATA FIRST_RESID 1 DATA SEQUENCE MGEVVRLTNS STGGPVFVYV KDGKIIRMTP MDFDDAVDAP SWKIEARGKT DATA SEQUENCE FTPPRKTSIA PYTAGFKSMI YSDLRIPYPM KRKSFDPNGE RNPQLRGAGL DATA SEQUENCE SKQDPWSDYE RISWDEATDI VVAEINRIKH AYGPSAILST PSSHHMWGNV DATA SEQUENCE GYRHSTYFRF MNMMGFTYAD HNPDSWEGWH WGGMHMWGFS WRLGNPEQYD DATA SEQUENCE LLEDGLKHAE MIVFWSSDPE TNSGIYAGFE SNIRRQWLKD LGVDFVFIDP DATA SEQUENCE HMNHTARLVA DKWFSPKIGT DHALSFAIAY TWLKEDSYDK EYVAANAHGF DATA SEQUENCE EEWADYVLGK TDGTPKTCEW AEEESGVPAC EIRALARQWA KKNTYLAAGG DATA SEQUENCE LGGWGGACRA SHGIEWARGM IALATMQGMG KPGSNMWSTT QGVPLDYEFY DATA SEQUENCE FPGYAEGGIS GDCENSAAGF KFAWRMFDGK TTFPSPSNLN TSAGQHIPRL DATA SEQUENCE KIPECIMGGK FQWSGKGFAG GDISHQLHQY EYPAPGYSKI KMFWKYGGPH DATA SEQUENCE LGTMTATNRY AKMYTHDSLE FVVSQSIWFE GEVPFADIIL PACTNFERWD DATA SEQUENCE ISEFANCSGY IPDNYQLCNH RVISLQAKCI EPVGESMSDY EIYRLFAKKL DATA SEQUENCE NIEEMFSEGK DELAWCEQYF NATDMPKYMT WDEFFKKGYF VVPDNPNRKK DATA SEQUENCE TVALRWFAEG REKDTPDWGP RLNNQVCRKG LQTTTGKVEF IATSLKNFEE DATA SEQUENCE QGYIDEHRPS MHTYVPAWES QKHSPLAVKY PLGMLSPHPR FSMHTMGDGK DATA SEQUENCE NSYMNYIKDH RVEVDGYKYW IMRVNSIDAE ARGIKNGDLI RAYNDRGSVI DATA SEQUENCE LAAQVTECLQ PGTVHSYESC AVYDPLGTAG KSADRGGCIN ILTPDRYISK DATA SEQUENCE YACGMANNTA LVEIEKWDGD KYEIY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 G N -0.730 108.082 108.800 0.020 0.000 2.682 2 G HA2 0.735 4.694 3.960 -0.001 0.000 0.303 2 G HA3 0.735 4.694 3.960 -0.001 0.000 0.303 2 G C -1.469 173.445 174.900 0.024 0.000 1.341 2 G CA -0.602 44.512 45.100 0.023 0.000 0.784 2 G HN -0.079 nan 8.290 nan 0.000 0.497 3 E N -0.525 119.691 120.200 0.026 0.000 2.280 3 E HA 0.452 4.801 4.350 -0.001 0.000 0.264 3 E C -0.142 176.482 176.600 0.039 0.000 1.064 3 E CA -0.664 55.753 56.400 0.028 0.000 0.900 3 E CB 2.166 31.880 29.700 0.024 0.000 1.123 3 E HN 0.171 nan 8.360 nan 0.000 0.418 4 V N 1.828 121.772 119.914 0.050 0.000 2.508 4 V HA 0.078 4.198 4.120 -0.001 0.000 0.281 4 V C 0.171 176.310 176.094 0.075 0.000 1.041 4 V CA -0.218 62.130 62.300 0.080 0.000 1.016 4 V CB 1.002 32.892 31.823 0.112 0.000 0.984 4 V HN 0.298 nan 8.190 nan 0.000 0.478 5 V N 6.218 126.165 119.914 0.056 0.000 2.513 5 V HA 0.469 4.588 4.120 -0.001 0.000 0.299 5 V C 0.247 176.299 176.094 -0.071 0.000 1.035 5 V CA -0.867 61.433 62.300 0.001 0.000 0.889 5 V CB 1.840 33.662 31.823 -0.001 0.000 0.988 5 V HN 0.830 nan 8.190 nan 0.000 0.440 6 R N 4.396 124.780 120.500 -0.193 0.000 2.202 6 R HA 0.626 4.965 4.340 -0.001 0.000 0.334 6 R C -1.166 174.961 176.300 -0.288 0.000 1.036 6 R CA -0.282 55.537 56.100 -0.467 0.000 0.878 6 R CB 0.454 30.341 30.300 -0.689 0.000 1.067 6 R HN 0.677 nan 8.270 nan 0.000 0.457 7 L N 2.047 123.151 121.223 -0.198 0.000 2.299 7 L HA 0.584 4.923 4.340 -0.001 0.000 0.268 7 L C 0.168 177.059 176.870 0.035 0.000 1.012 7 L CA -1.024 53.770 54.840 -0.075 0.000 0.816 7 L CB 2.276 44.301 42.059 -0.057 0.000 1.355 7 L HN 0.664 nan 8.230 nan 0.000 0.457 8 T N -1.881 112.687 114.554 0.024 0.000 2.885 8 T HA 0.582 4.932 4.350 -0.001 0.000 0.285 8 T C -0.595 174.076 174.700 -0.049 0.000 1.019 8 T CA -0.726 61.395 62.100 0.035 0.000 1.010 8 T CB 2.310 71.201 68.868 0.038 0.000 1.022 8 T HN 0.553 nan 8.240 nan 0.000 0.466 9 N N -0.254 118.392 118.700 -0.090 0.000 3.308 9 N HA 0.536 5.275 4.740 -0.001 0.000 0.276 9 N C -1.564 173.835 175.510 -0.186 0.000 1.533 9 N CA -0.446 52.488 53.050 -0.194 0.000 0.878 9 N CB 2.000 40.232 38.487 -0.424 0.000 1.566 9 N HN 0.736 nan 8.380 nan 0.000 0.546 10 S N -1.066 114.499 115.700 -0.225 0.000 2.819 10 S HA 0.869 5.338 4.470 -0.001 0.000 0.299 10 S C -1.549 172.937 174.600 -0.191 0.000 1.192 10 S CA 0.139 58.248 58.200 -0.152 0.000 0.847 10 S CB 0.782 64.034 63.200 0.087 0.000 1.224 10 S HN 0.986 nan 8.310 nan 0.000 0.537 11 S N -0.639 114.885 115.700 -0.294 0.000 2.656 11 S HA 0.281 4.750 4.470 -0.001 0.000 0.265 11 S C 0.411 174.658 174.600 -0.587 0.000 1.132 11 S CA 0.263 58.303 58.200 -0.266 0.000 0.819 11 S CB 0.180 63.234 63.200 -0.243 0.000 1.119 11 S HN 1.234 nan 8.310 nan 0.000 0.476 12 T N -1.918 112.473 114.554 -0.271 0.000 3.163 12 T HA 0.254 4.603 4.350 -0.001 0.000 0.260 12 T C 1.332 176.048 174.700 0.027 0.000 1.156 12 T CA 1.071 63.034 62.100 -0.229 0.000 1.072 12 T CB -0.733 68.246 68.868 0.187 0.000 0.937 12 T HN 1.271 nan 8.240 nan 0.000 0.528 13 G N -0.162 108.613 108.800 -0.041 0.000 3.324 13 G HA2 0.571 4.530 3.960 -0.001 0.000 0.251 13 G HA3 0.571 4.530 3.960 -0.001 0.000 0.251 13 G C 0.603 175.381 174.900 -0.203 0.000 1.072 13 G CA -0.108 44.939 45.100 -0.088 0.000 0.787 13 G HN 1.002 nan 8.290 nan 0.000 0.537 14 G N -0.378 108.228 108.800 -0.323 0.000 2.497 14 G HA2 0.102 4.061 3.960 -0.001 0.000 0.686 14 G HA3 0.102 4.061 3.960 -0.001 0.000 0.686 14 G C -3.314 171.213 174.900 -0.621 0.000 1.288 14 G CA -0.928 43.828 45.100 -0.574 0.000 0.899 14 G HN 0.128 nan 8.290 nan 0.000 0.608 15 P HA 0.521 nan 4.420 nan 0.000 0.272 15 P C 0.062 177.120 177.300 -0.404 0.000 1.230 15 P CA 0.031 62.810 63.100 -0.536 0.000 0.788 15 P CB 1.329 32.684 31.700 -0.575 0.000 0.949 16 V N -1.939 117.796 119.914 -0.299 0.000 3.120 16 V HA 0.549 4.668 4.120 -0.001 0.000 0.303 16 V C -1.286 174.708 176.094 -0.166 0.000 1.238 16 V CA -1.019 61.163 62.300 -0.197 0.000 1.008 16 V CB 1.679 33.507 31.823 0.007 0.000 1.064 16 V HN 0.284 nan 8.190 nan 0.000 0.434 17 F N 1.489 121.400 119.950 -0.065 0.000 2.408 17 F HA 0.734 5.260 4.527 -0.002 0.000 0.344 17 F C 0.097 175.856 175.800 -0.067 0.000 1.112 17 F CA -0.869 57.050 58.000 -0.135 0.000 1.096 17 F CB 2.112 41.005 39.000 -0.179 0.000 1.129 17 F HN 0.418 nan 8.300 nan 0.000 0.486 18 V N 4.660 124.638 119.914 0.107 0.000 2.378 18 V HA 0.213 4.332 4.120 -0.001 0.000 0.288 18 V C -0.882 175.197 176.094 -0.025 0.000 1.016 18 V CA -1.023 61.357 62.300 0.133 0.000 0.840 18 V CB 0.886 32.846 31.823 0.229 0.000 0.994 18 V HN 0.457 nan 8.190 nan 0.000 0.431 19 Y N 3.626 123.982 120.300 0.094 0.000 2.365 19 Y HA 0.547 5.096 4.550 -0.001 0.000 0.340 19 Y C 0.305 176.241 175.900 0.060 0.000 1.016 19 Y CA -0.363 57.768 58.100 0.051 0.000 1.196 19 Y CB 1.367 39.845 38.460 0.031 0.000 1.167 19 Y HN 0.392 nan 8.280 nan 0.000 0.509 20 V N 4.169 124.168 119.914 0.142 0.000 2.715 20 V HA 0.574 4.694 4.120 -0.001 0.000 0.310 20 V C -0.568 175.583 176.094 0.096 0.000 1.054 20 V CA -1.399 60.969 62.300 0.113 0.000 0.928 20 V CB 2.095 33.965 31.823 0.078 0.000 1.007 20 V HN 0.655 nan 8.190 nan 0.000 0.437 21 K N 2.178 122.628 120.400 0.083 0.000 2.588 21 K HA 0.301 4.620 4.320 -0.001 0.000 0.250 21 K C -1.048 175.582 176.600 0.050 0.000 0.972 21 K CA -0.466 55.858 56.287 0.062 0.000 0.821 21 K CB 1.267 33.801 32.500 0.057 0.000 1.249 21 K HN 0.755 nan 8.250 nan 0.000 0.442 22 D N 3.246 123.672 120.400 0.044 0.000 2.723 22 D HA -0.181 4.458 4.640 -0.001 0.000 0.236 22 D C 0.492 176.819 176.300 0.044 0.000 1.138 22 D CA 1.915 55.937 54.000 0.038 0.000 0.676 22 D CB -1.037 39.779 40.800 0.026 0.000 1.069 22 D HN 1.142 nan 8.370 nan 0.000 0.430 23 G N 0.297 109.132 108.800 0.057 0.000 2.176 23 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.252 23 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.252 23 G C 0.156 175.109 174.900 0.089 0.000 1.024 23 G CA 0.881 46.023 45.100 0.070 0.000 0.755 23 G HN 0.654 nan 8.290 nan 0.000 0.507 24 K N 0.034 120.488 120.400 0.090 0.000 2.482 24 K HA 0.603 4.922 4.320 -0.001 0.000 0.251 24 K C 0.180 176.872 176.600 0.154 0.000 0.936 24 K CA -1.295 55.060 56.287 0.113 0.000 0.791 24 K CB 1.096 33.604 32.500 0.014 0.000 1.213 24 K HN 0.094 nan 8.250 nan 0.000 0.428 25 I N 6.426 127.153 120.570 0.261 0.000 2.587 25 I HA -0.031 4.138 4.170 -0.001 0.000 0.284 25 I C 1.273 177.506 176.117 0.194 0.000 1.134 25 I CA 0.125 61.559 61.300 0.224 0.000 1.410 25 I CB 0.519 38.643 38.000 0.207 0.000 1.392 25 I HN 0.693 nan 8.210 nan 0.000 0.545 26 I N 6.059 126.726 120.570 0.162 0.000 2.494 26 I HA 0.005 4.175 4.170 -0.001 0.000 0.250 26 I C 1.022 177.212 176.117 0.122 0.000 1.112 26 I CA 0.644 62.017 61.300 0.122 0.000 1.438 26 I CB 0.025 38.087 38.000 0.103 0.000 1.111 26 I HN 0.672 nan 8.210 nan 0.000 0.431 27 R N 0.110 120.712 120.500 0.170 0.000 2.728 27 R HA 0.621 4.960 4.340 -0.001 0.000 0.274 27 R C -1.706 174.735 176.300 0.235 0.000 1.030 27 R CA -0.820 55.374 56.100 0.157 0.000 0.876 27 R CB 1.413 31.755 30.300 0.070 0.000 1.259 27 R HN -0.138 nan 8.270 nan 0.000 0.468 28 M N 1.379 121.095 119.600 0.193 0.000 2.393 28 M HA 0.443 4.922 4.480 -0.001 0.000 0.299 28 M C -1.059 175.351 176.300 0.183 0.000 1.103 28 M CA -0.737 54.689 55.300 0.209 0.000 0.910 28 M CB 2.815 35.503 32.600 0.148 0.000 1.659 28 M HN 0.975 nan 8.290 nan 0.000 0.445 29 T N 0.186 114.868 114.554 0.212 0.000 2.841 29 T HA 0.767 5.116 4.350 -0.001 0.000 0.296 29 T C -3.068 171.676 174.700 0.073 0.000 1.166 29 T CA -1.898 60.296 62.100 0.156 0.000 1.007 29 T CB 2.174 71.183 68.868 0.235 0.000 1.253 29 T HN 0.231 nan 8.240 nan 0.000 0.511 30 P HA 0.391 nan 4.420 nan 0.000 0.275 30 P C -0.677 176.545 177.300 -0.131 0.000 1.270 30 P CA -0.602 62.446 63.100 -0.087 0.000 0.791 30 P CB 0.335 31.998 31.700 -0.061 0.000 1.089 31 M N 0.627 120.053 119.600 -0.289 0.000 2.227 31 M HA 0.267 4.746 4.480 -0.001 0.000 0.335 31 M C -0.456 175.701 176.300 -0.239 0.000 1.053 31 M CA -0.337 54.712 55.300 -0.418 0.000 0.973 31 M CB 1.197 33.299 32.600 -0.829 0.000 1.623 31 M HN 0.155 nan 8.290 nan 0.000 0.434 32 D N 3.493 123.906 120.400 0.022 0.000 2.225 32 D HA 0.353 4.992 4.640 -0.001 0.000 0.248 32 D C -0.745 175.670 176.300 0.192 0.000 1.096 32 D CA 0.079 54.082 54.000 0.005 0.000 0.863 32 D CB 1.296 42.151 40.800 0.092 0.000 1.156 32 D HN 0.425 nan 8.370 nan 0.000 0.450 33 F N 0.717 120.671 119.950 0.007 0.000 2.389 33 F HA 0.048 4.574 4.527 -0.001 0.000 0.337 33 F C 1.355 177.212 175.800 0.095 0.000 1.112 33 F CA -0.707 57.324 58.000 0.052 0.000 1.192 33 F CB 1.121 40.097 39.000 -0.040 0.000 1.185 33 F HN 0.105 nan 8.300 nan 0.000 0.552 34 D N 2.449 123.056 120.400 0.345 0.000 2.412 34 D HA 0.094 4.733 4.640 -0.001 0.000 0.224 34 D C 0.089 176.466 176.300 0.129 0.000 1.093 34 D CA -0.274 53.846 54.000 0.200 0.000 0.850 34 D CB 0.894 41.802 40.800 0.181 0.000 1.046 34 D HN 0.454 nan 8.370 nan 0.000 0.507 35 D N 2.411 122.876 120.400 0.108 0.000 2.384 35 D HA -0.086 4.553 4.640 -0.001 0.000 0.222 35 D C 1.675 178.000 176.300 0.042 0.000 0.976 35 D CA 0.662 54.704 54.000 0.070 0.000 0.915 35 D CB 0.277 41.115 40.800 0.064 0.000 0.896 35 D HN 0.494 nan 8.370 nan 0.000 0.523 36 A N -0.097 122.748 122.820 0.042 0.000 2.021 36 A HA 0.049 4.368 4.320 -0.001 0.000 0.216 36 A C 1.974 179.568 177.584 0.016 0.000 1.163 36 A CA 1.169 53.223 52.037 0.028 0.000 0.676 36 A CB 0.077 19.094 19.000 0.029 0.000 0.818 36 A HN 0.256 nan 8.150 nan 0.000 0.453 37 V N -4.421 115.496 119.914 0.006 0.000 3.451 37 V HA 0.280 4.399 4.120 -0.001 0.000 0.288 37 V C -0.853 175.193 176.094 -0.079 0.000 1.502 37 V CA -0.271 62.016 62.300 -0.022 0.000 1.026 37 V CB 0.132 31.934 31.823 -0.035 0.000 0.840 37 V HN 0.155 nan 8.190 nan 0.000 0.437 38 D N 2.891 123.237 120.400 -0.091 0.000 2.280 38 D HA 0.679 5.318 4.640 -0.001 0.000 0.236 38 D C 0.566 176.758 176.300 -0.180 0.000 1.082 38 D CA 0.452 54.324 54.000 -0.214 0.000 0.834 38 D CB 1.940 42.590 40.800 -0.250 0.000 1.100 38 D HN 0.518 nan 8.370 nan 0.000 0.486 39 A N 3.946 126.621 122.820 -0.241 0.000 2.586 39 A HA 0.204 4.523 4.320 -0.001 0.000 0.231 39 A C -2.024 175.515 177.584 -0.075 0.000 1.055 39 A CA -0.421 51.529 52.037 -0.146 0.000 0.756 39 A CB -0.460 18.421 19.000 -0.198 0.000 0.988 39 A HN 0.327 nan 8.150 nan 0.000 0.509 40 P HA 0.208 nan 4.420 nan 0.000 0.272 40 P C -0.110 177.232 177.300 0.071 0.000 1.230 40 P CA -0.103 63.018 63.100 0.035 0.000 0.788 40 P CB 0.658 32.378 31.700 0.032 0.000 0.949 41 S N 0.801 116.553 115.700 0.086 0.000 2.655 41 S HA 0.335 4.804 4.470 -0.001 0.000 0.265 41 S C 0.027 174.612 174.600 -0.024 0.000 1.240 41 S CA -0.702 57.529 58.200 0.050 0.000 0.986 41 S CB 0.175 63.366 63.200 -0.015 0.000 0.985 41 S HN 0.503 nan 8.310 nan 0.000 0.562 42 W N 0.403 121.745 121.300 0.069 0.000 2.030 42 W HA 0.642 5.302 4.660 -0.001 0.000 0.360 42 W C -0.636 175.917 176.519 0.058 0.000 1.370 42 W CA -0.633 56.738 57.345 0.043 0.000 1.433 42 W CB -0.078 29.392 29.460 0.017 0.000 1.204 42 W HN 0.410 nan 8.180 nan 0.000 0.649 43 K N 0.430 121.092 120.400 0.436 0.000 2.512 43 K HA 0.677 4.996 4.320 -0.001 0.000 0.263 43 K C -1.276 175.569 176.600 0.409 0.000 0.966 43 K CA -0.987 55.468 56.287 0.280 0.000 0.851 43 K CB 2.791 35.347 32.500 0.093 0.000 1.395 43 K HN 0.384 nan 8.250 nan 0.000 0.440 44 I N 1.743 122.505 120.570 0.319 0.000 2.571 44 I HA 0.199 4.369 4.170 -0.001 0.000 0.289 44 I C -1.238 174.993 176.117 0.190 0.000 1.115 44 I CA -0.739 60.717 61.300 0.260 0.000 1.045 44 I CB 2.352 40.534 38.000 0.304 0.000 1.238 44 I HN 0.474 nan 8.210 nan 0.000 0.424 45 E N 5.175 125.446 120.200 0.117 0.000 2.073 45 E HA 0.705 5.054 4.350 -0.001 0.000 0.269 45 E C -0.804 175.849 176.600 0.089 0.000 0.917 45 E CA -0.273 56.169 56.400 0.070 0.000 0.757 45 E CB 1.776 31.490 29.700 0.024 0.000 1.111 45 E HN 0.611 nan 8.360 nan 0.000 0.410 46 A N 3.087 126.003 122.820 0.161 0.000 2.449 46 A HA 0.606 4.925 4.320 -0.001 0.000 0.302 46 A C -0.419 177.254 177.584 0.148 0.000 1.048 46 A CA -0.921 51.195 52.037 0.131 0.000 0.708 46 A CB 0.873 19.940 19.000 0.112 0.000 1.274 46 A HN 0.694 nan 8.150 nan 0.000 0.410 47 R N 1.049 121.587 120.500 0.063 0.000 3.225 47 R HA -0.238 4.102 4.340 -0.001 0.000 0.245 47 R C 1.101 177.421 176.300 0.033 0.000 0.928 47 R CA 1.034 57.166 56.100 0.054 0.000 0.632 47 R CB -2.014 28.334 30.300 0.080 0.000 1.038 47 R HN 2.437 nan 8.270 nan 0.000 0.461 48 G N -0.455 108.347 108.800 0.003 0.000 2.166 48 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.260 48 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.260 48 G C 0.029 174.872 174.900 -0.096 0.000 0.986 48 G CA 1.201 46.281 45.100 -0.033 0.000 0.683 48 G HN 0.482 nan 8.290 nan 0.000 0.527 49 K N -0.662 119.646 120.400 -0.155 0.000 2.400 49 K HA 0.659 4.979 4.320 -0.001 0.000 0.246 49 K C -0.720 175.557 176.600 -0.539 0.000 0.995 49 K CA -0.712 55.335 56.287 -0.401 0.000 0.840 49 K CB 1.784 33.909 32.500 -0.626 0.000 1.293 49 K HN 0.024 nan 8.250 nan 0.000 0.445 50 T N 1.755 115.922 114.554 -0.645 0.000 2.770 50 T HA 0.474 4.823 4.350 -0.001 0.000 0.283 50 T C -1.042 173.193 174.700 -0.775 0.000 0.988 50 T CA -0.480 61.323 62.100 -0.495 0.000 0.957 50 T CB 0.050 68.756 68.868 -0.269 0.000 0.930 50 T HN 0.233 nan 8.240 nan 0.000 0.443 51 F N 1.879 121.620 119.950 -0.348 0.000 2.427 51 F HA 0.577 5.103 4.527 -0.002 0.000 0.348 51 F C 0.751 176.304 175.800 -0.412 0.000 1.125 51 F CA -0.762 56.833 58.000 -0.676 0.000 0.989 51 F CB 2.011 40.374 39.000 -1.061 0.000 1.165 51 F HN 0.366 nan 8.300 nan 0.000 0.442 52 T N 4.941 119.380 114.554 -0.191 0.000 2.912 52 T HA 0.510 4.859 4.350 -0.001 0.000 0.299 52 T C -2.725 171.945 174.700 -0.049 0.000 1.052 52 T CA -1.915 60.015 62.100 -0.283 0.000 0.996 52 T CB 1.570 70.310 68.868 -0.214 0.000 1.070 52 T HN 0.322 nan 8.240 nan 0.000 0.465 53 P HA 0.405 nan 4.420 nan 0.000 0.274 53 P C -2.796 174.539 177.300 0.059 0.000 1.256 53 P CA -1.337 61.753 63.100 -0.017 0.000 0.795 53 P CB -0.624 30.968 31.700 -0.180 0.000 1.038 54 P HA 0.236 nan 4.420 nan 0.000 0.276 54 P C 0.275 177.567 177.300 -0.013 0.000 1.230 54 P CA -0.137 62.982 63.100 0.032 0.000 0.776 54 P CB 0.306 32.004 31.700 -0.003 0.000 0.888 55 R N 3.149 123.599 120.500 -0.083 0.000 4.980 55 R HA 0.090 4.430 4.340 -0.001 0.000 0.190 55 R C 0.445 176.331 176.300 -0.690 0.000 2.095 55 R CA 0.465 56.430 56.100 -0.226 0.000 1.717 55 R CB -0.631 29.655 30.300 -0.022 0.000 1.337 55 R HN 0.483 nan 8.270 nan 0.000 0.820 56 K N -0.117 119.807 120.400 -0.793 0.000 2.575 56 K HA 0.169 4.488 4.320 -0.001 0.000 0.279 56 K C -0.678 175.608 176.600 -0.523 0.000 0.969 56 K CA -0.506 55.307 56.287 -0.789 0.000 0.868 56 K CB 1.701 33.993 32.500 -0.347 0.000 1.457 56 K HN 0.077 nan 8.250 nan 0.000 0.426 57 T N -1.250 113.080 114.554 -0.374 0.000 2.910 57 T HA 0.656 5.005 4.350 -0.001 0.000 0.279 57 T C -0.051 174.642 174.700 -0.012 0.000 0.989 57 T CA -0.534 61.538 62.100 -0.048 0.000 0.968 57 T CB 1.241 70.075 68.868 -0.057 0.000 1.135 57 T HN 0.616 nan 8.240 nan 0.000 0.562 58 S N -0.239 115.524 115.700 0.105 0.000 2.595 58 S HA 0.783 5.252 4.470 -0.001 0.000 0.281 58 S C -0.631 174.011 174.600 0.070 0.000 1.117 58 S CA -1.100 57.161 58.200 0.102 0.000 0.873 58 S CB 1.139 64.451 63.200 0.186 0.000 1.108 58 S HN 1.238 nan 8.310 nan 0.000 0.477 59 I N -1.475 119.136 120.570 0.067 0.000 2.934 59 I HA 0.928 5.097 4.170 -0.001 0.000 0.306 59 I C -0.187 175.918 176.117 -0.019 0.000 1.110 59 I CA -1.580 59.698 61.300 -0.037 0.000 1.019 59 I CB 1.614 39.566 38.000 -0.079 0.000 1.227 59 I HN 0.867 nan 8.210 nan 0.000 0.434 60 A N 4.230 126.873 122.820 -0.294 0.000 2.287 60 A HA 0.648 4.967 4.320 -0.001 0.000 0.273 60 A C -1.923 175.435 177.584 -0.377 0.000 1.091 60 A CA -1.473 50.262 52.037 -0.504 0.000 0.817 60 A CB -0.151 18.203 19.000 -1.076 0.000 1.069 60 A HN 0.719 nan 8.150 nan 0.000 0.492 61 P HA -0.210 nan 4.420 nan 0.000 0.214 61 P C 0.903 178.162 177.300 -0.069 0.000 1.163 61 P CA 2.137 65.211 63.100 -0.043 0.000 0.889 61 P CB -0.282 31.515 31.700 0.161 0.000 0.790 62 Y N -2.214 118.136 120.300 0.084 0.000 2.651 62 Y HA -0.035 4.514 4.550 -0.001 0.000 0.293 62 Y C 1.749 177.737 175.900 0.147 0.000 1.151 62 Y CA 0.981 59.131 58.100 0.082 0.000 1.362 62 Y CB -2.223 36.264 38.460 0.045 0.000 0.973 62 Y HN -0.129 nan 8.280 nan 0.000 0.561 63 T N -0.059 114.473 114.554 -0.037 0.000 3.010 63 T HA 0.176 4.525 4.350 -0.001 0.000 0.252 63 T C 2.216 176.979 174.700 0.105 0.000 1.047 63 T CA 0.792 62.930 62.100 0.063 0.000 1.140 63 T CB -0.322 68.486 68.868 -0.099 0.000 0.885 63 T HN 0.507 nan 8.240 nan 0.000 0.464 64 A N 1.137 123.984 122.820 0.046 0.000 1.978 64 A HA 0.120 4.439 4.320 -0.001 0.000 0.220 64 A C 2.218 179.884 177.584 0.137 0.000 1.170 64 A CA 1.751 53.835 52.037 0.078 0.000 0.636 64 A CB -0.843 18.189 19.000 0.053 0.000 0.810 64 A HN 0.499 nan 8.150 nan 0.000 0.448 65 G N -2.848 106.049 108.800 0.162 0.000 3.233 65 G HA2 0.214 4.173 3.960 -0.001 0.000 0.234 65 G HA3 0.214 4.173 3.960 -0.001 0.000 0.234 65 G C 0.881 175.820 174.900 0.066 0.000 1.137 65 G CA 0.260 45.477 45.100 0.196 0.000 0.763 65 G HN 0.354 nan 8.290 nan 0.000 0.549 66 F N 1.510 121.444 119.950 -0.027 0.000 2.287 66 F HA -0.071 4.455 4.527 -0.001 0.000 0.301 66 F C 2.394 178.070 175.800 -0.207 0.000 1.069 66 F CA 1.562 59.510 58.000 -0.086 0.000 1.372 66 F CB 0.267 39.241 39.000 -0.044 0.000 1.056 66 F HN 0.186 nan 8.300 nan 0.000 0.523 67 K N 0.027 120.324 120.400 -0.172 0.000 2.147 67 K HA -0.180 4.139 4.320 -0.001 0.000 0.205 67 K C 2.123 178.502 176.600 -0.369 0.000 1.049 67 K CA 1.521 57.652 56.287 -0.261 0.000 0.936 67 K CB -0.296 32.194 32.500 -0.015 0.000 0.722 67 K HN 0.380 nan 8.250 nan 0.000 0.446 68 S N -0.365 115.014 115.700 -0.535 0.000 2.603 68 S HA -0.038 4.431 4.470 -0.001 0.000 0.229 68 S C 1.660 175.978 174.600 -0.470 0.000 0.972 68 S CA 0.494 58.277 58.200 -0.694 0.000 0.935 68 S CB -0.033 62.254 63.200 -1.522 0.000 0.769 68 S HN 0.284 nan 8.310 nan 0.000 0.536 69 M N 0.107 119.380 119.600 -0.544 0.000 2.545 69 M HA 0.346 4.825 4.480 -0.001 0.000 0.264 69 M C 1.757 177.954 176.300 -0.171 0.000 1.155 69 M CA 0.568 55.598 55.300 -0.451 0.000 1.162 69 M CB -0.116 32.023 32.600 -0.770 0.000 1.330 69 M HN 0.294 nan 8.290 nan 0.000 0.479 70 I N -0.808 119.472 120.570 -0.484 0.000 2.252 70 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 70 I C 1.073 176.985 176.117 -0.342 0.000 1.102 70 I CA 1.351 62.382 61.300 -0.449 0.000 1.385 70 I CB -0.069 37.481 38.000 -0.749 0.000 1.064 70 I HN 0.227 nan 8.210 nan 0.000 0.414 71 Y N 0.471 120.710 120.300 -0.101 0.000 2.532 71 Y HA 0.241 4.790 4.550 -0.001 0.000 0.283 71 Y C 1.336 177.213 175.900 -0.040 0.000 1.181 71 Y CA -0.671 57.393 58.100 -0.060 0.000 1.256 71 Y CB -0.635 37.785 38.460 -0.067 0.000 1.112 71 Y HN -0.078 nan 8.280 nan 0.000 0.521 72 S N 1.338 117.094 115.700 0.094 0.000 2.563 72 S HA -0.063 4.406 4.470 -0.001 0.000 0.284 72 S C 1.141 175.814 174.600 0.122 0.000 1.331 72 S CA -0.096 58.159 58.200 0.091 0.000 1.047 72 S CB 0.450 63.737 63.200 0.145 0.000 0.859 72 S HN 0.576 nan 8.310 nan 0.000 0.514 73 D N 3.371 123.827 120.400 0.092 0.000 2.340 73 D HA 0.004 4.643 4.640 -0.001 0.000 0.220 73 D C 1.099 177.488 176.300 0.148 0.000 1.039 73 D CA 0.403 54.447 54.000 0.073 0.000 0.866 73 D CB -0.214 40.602 40.800 0.027 0.000 0.913 73 D HN 0.488 nan 8.370 nan 0.000 0.523 74 L N -0.489 120.877 121.223 0.238 0.000 2.667 74 L HA 0.241 4.580 4.340 -0.001 0.000 0.232 74 L C 0.699 177.831 176.870 0.436 0.000 1.138 74 L CA -0.612 54.463 54.840 0.391 0.000 0.921 74 L CB 0.094 42.323 42.059 0.284 0.000 1.180 74 L HN -0.147 nan 8.230 nan 0.000 0.487 75 R N 1.394 122.091 120.500 0.329 0.000 2.491 75 R HA 0.171 4.510 4.340 -0.001 0.000 0.283 75 R C -0.182 176.163 176.300 0.076 0.000 1.072 75 R CA 0.013 56.208 56.100 0.158 0.000 1.048 75 R CB 0.181 30.519 30.300 0.063 0.000 0.983 75 R HN 0.051 nan 8.270 nan 0.000 0.450 76 I N 8.832 129.377 120.570 -0.043 0.000 2.662 76 I HA 0.016 4.185 4.170 -0.001 0.000 0.285 76 I C -1.337 174.665 176.117 -0.192 0.000 1.161 76 I CA -1.345 59.895 61.300 -0.100 0.000 1.415 76 I CB 1.027 38.933 38.000 -0.156 0.000 1.385 76 I HN 0.663 nan 8.210 nan 0.000 0.552 77 P HA -0.063 nan 4.420 nan 0.000 0.215 77 P C -0.887 176.169 177.300 -0.407 0.000 1.157 77 P CA 1.390 64.171 63.100 -0.533 0.000 0.859 77 P CB 0.183 31.232 31.700 -1.085 0.000 0.786 78 Y N -6.784 113.482 120.300 -0.058 0.000 2.788 78 Y HA 0.634 5.183 4.550 -0.002 0.000 0.335 78 Y C -3.207 172.533 175.900 -0.267 0.000 1.287 78 Y CA -3.826 54.196 58.100 -0.130 0.000 1.068 78 Y CB -0.864 37.539 38.460 -0.095 0.000 1.340 78 Y HN -0.391 nan 8.280 nan 0.000 0.449 79 P HA 0.223 nan 4.420 nan 0.000 0.265 79 P C -0.849 176.427 177.300 -0.039 0.000 1.193 79 P CA 0.636 63.513 63.100 -0.372 0.000 0.765 79 P CB 0.366 31.667 31.700 -0.664 0.000 0.823 80 M N 2.272 121.844 119.600 -0.045 0.000 2.644 80 M HA 0.493 4.972 4.480 -0.001 0.000 0.304 80 M C -0.173 176.210 176.300 0.139 0.000 1.215 80 M CA -0.677 54.675 55.300 0.087 0.000 0.871 80 M CB 2.864 35.477 32.600 0.022 0.000 1.740 80 M HN 0.107 nan 8.290 nan 0.000 0.464 81 K N 1.288 121.840 120.400 0.253 0.000 2.464 81 K HA 0.467 4.786 4.320 -0.001 0.000 0.253 81 K C -1.413 175.343 176.600 0.260 0.000 0.933 81 K CA -0.752 55.694 56.287 0.266 0.000 0.801 81 K CB 2.485 35.108 32.500 0.205 0.000 1.271 81 K HN 0.773 nan 8.250 nan 0.000 0.430 82 R N 3.365 123.955 120.500 0.150 0.000 2.370 82 R HA 0.046 4.386 4.340 -0.001 0.000 0.309 82 R C 0.672 176.980 176.300 0.013 0.000 1.059 82 R CA 0.391 56.383 56.100 -0.180 0.000 0.981 82 R CB 0.589 30.786 30.300 -0.172 0.000 0.972 82 R HN 0.647 nan 8.270 nan 0.000 0.437 83 K N 1.337 121.694 120.400 -0.072 0.000 2.032 83 K HA -0.151 4.168 4.320 -0.001 0.000 0.209 83 K C 1.614 178.229 176.600 0.025 0.000 1.048 83 K CA 2.090 58.376 56.287 -0.002 0.000 0.927 83 K CB -0.016 32.470 32.500 -0.023 0.000 0.712 83 K HN 0.691 nan 8.250 nan 0.000 0.441 84 S N 0.472 116.182 115.700 0.016 0.000 2.603 84 S HA -0.057 4.412 4.470 -0.001 0.000 0.229 84 S C 0.294 174.967 174.600 0.121 0.000 0.972 84 S CA -0.141 58.086 58.200 0.045 0.000 0.935 84 S CB -0.422 62.795 63.200 0.028 0.000 0.769 84 S HN 0.215 nan 8.310 nan 0.000 0.536 85 F N 2.988 122.937 119.950 -0.000 0.000 2.361 85 F HA 0.531 5.057 4.527 -0.002 0.000 0.364 85 F C -0.570 175.260 175.800 0.050 0.000 1.120 85 F CA -1.619 56.408 58.000 0.045 0.000 1.102 85 F CB 0.869 39.917 39.000 0.079 0.000 1.183 85 F HN -0.033 nan 8.300 nan 0.000 0.476 86 D N 8.669 128.695 120.400 -0.623 0.000 2.440 86 D HA 0.343 4.982 4.640 -0.001 0.000 0.239 86 D C -2.162 173.664 176.300 -0.790 0.000 1.084 86 D CA -2.365 51.295 54.000 -0.567 0.000 0.843 86 D CB 2.423 43.075 40.800 -0.248 0.000 1.097 86 D HN 0.232 nan 8.370 nan 0.000 0.531 87 P HA -0.019 nan 4.420 nan 0.000 0.217 87 P C 0.239 177.401 177.300 -0.231 0.000 1.150 87 P CA 0.943 63.744 63.100 -0.498 0.000 0.832 87 P CB 0.393 31.929 31.700 -0.274 0.000 0.787 88 N N -1.630 116.959 118.700 -0.184 0.000 2.270 88 N HA 0.194 4.933 4.740 -0.001 0.000 0.198 88 N C 0.924 176.383 175.510 -0.084 0.000 1.117 88 N CA 0.343 53.333 53.050 -0.100 0.000 0.845 88 N CB 0.349 38.793 38.487 -0.072 0.000 0.980 88 N HN 0.132 nan 8.380 nan 0.000 0.486 89 G N -0.735 107.996 108.800 -0.115 0.000 3.354 89 G HA2 0.153 4.112 3.960 -0.001 0.000 0.174 89 G HA3 0.153 4.112 3.960 -0.001 0.000 0.174 89 G C -1.047 173.811 174.900 -0.070 0.000 1.140 89 G CA -0.433 44.622 45.100 -0.076 0.000 0.897 89 G HN -0.105 nan 8.290 nan 0.000 0.685 90 E N 1.227 121.394 120.200 -0.056 0.000 2.299 90 E HA 0.205 4.554 4.350 -0.001 0.000 0.272 90 E C 1.007 177.586 176.600 -0.035 0.000 1.043 90 E CA -0.094 56.292 56.400 -0.023 0.000 0.895 90 E CB 1.539 31.235 29.700 -0.006 0.000 1.011 90 E HN 0.398 nan 8.360 nan 0.000 0.432 91 R N 2.162 122.683 120.500 0.034 0.000 2.210 91 R HA 0.033 4.372 4.340 -0.001 0.000 0.203 91 R C -0.084 176.368 176.300 0.254 0.000 1.010 91 R CA -0.140 56.052 56.100 0.153 0.000 1.008 91 R CB 0.074 30.544 30.300 0.284 0.000 0.923 91 R HN 0.488 nan 8.270 nan 0.000 0.469 92 N N 0.704 119.495 118.700 0.151 0.000 2.667 92 N HA -0.113 4.626 4.740 -0.001 0.000 0.263 92 N C -2.251 173.356 175.510 0.161 0.000 1.038 92 N CA 0.338 53.467 53.050 0.131 0.000 0.749 92 N CB -0.592 37.958 38.487 0.105 0.000 0.892 92 N HN 0.200 nan 8.380 nan 0.000 0.546 93 P HA -0.195 nan 4.420 nan 0.000 0.216 93 P C 1.771 179.157 177.300 0.142 0.000 1.150 93 P CA 1.186 64.385 63.100 0.165 0.000 0.837 93 P CB 0.108 31.894 31.700 0.143 0.000 0.786 94 Q N 0.058 119.922 119.800 0.107 0.000 2.443 94 Q HA -0.128 4.211 4.340 -0.001 0.000 0.213 94 Q C 1.402 177.461 176.000 0.099 0.000 0.982 94 Q CA 1.424 57.284 55.803 0.095 0.000 0.894 94 Q CB -1.192 27.584 28.738 0.064 0.000 0.947 94 Q HN 0.341 nan 8.270 nan 0.000 0.480 95 L N 0.490 121.771 121.223 0.096 0.000 2.607 95 L HA 0.254 4.593 4.340 -0.001 0.000 0.228 95 L C 0.619 177.524 176.870 0.058 0.000 1.123 95 L CA -0.296 54.585 54.840 0.068 0.000 0.890 95 L CB 0.183 42.271 42.059 0.048 0.000 1.103 95 L HN -0.005 nan 8.230 nan 0.000 0.468 96 R N 0.711 121.280 120.500 0.115 0.000 2.449 96 R HA 0.237 4.576 4.340 -0.001 0.000 0.296 96 R C 1.106 177.466 176.300 0.099 0.000 1.047 96 R CA 0.764 56.937 56.100 0.123 0.000 1.018 96 R CB 0.303 30.759 30.300 0.260 0.000 0.962 96 R HN 0.286 nan 8.270 nan 0.000 0.428 97 G N 1.798 110.490 108.800 -0.181 0.000 2.141 97 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.242 97 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.242 97 G C 0.907 175.678 174.900 -0.213 0.000 0.982 97 G CA 0.266 45.059 45.100 -0.511 0.000 0.662 97 G HN 0.725 nan 8.290 nan 0.000 0.527 98 A N 0.225 122.984 122.820 -0.102 0.000 1.883 98 A HA 0.251 4.570 4.320 -0.001 0.000 0.217 98 A C 2.832 180.380 177.584 -0.060 0.000 1.186 98 A CA 2.460 54.468 52.037 -0.049 0.000 0.624 98 A CB -1.053 17.929 19.000 -0.030 0.000 0.822 98 A HN 1.649 nan 8.150 nan 0.000 0.444 99 G N -0.523 108.231 108.800 -0.077 0.000 2.418 99 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.217 99 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.217 99 G C 1.442 176.305 174.900 -0.061 0.000 1.158 99 G CA 1.176 46.254 45.100 -0.037 0.000 0.771 99 G HN 0.395 nan 8.290 nan 0.000 0.545 100 L N 1.221 122.358 121.223 -0.144 0.000 2.083 100 L HA 0.008 4.347 4.340 -0.001 0.000 0.209 100 L C 2.913 179.709 176.870 -0.123 0.000 1.083 100 L CA 1.831 56.558 54.840 -0.188 0.000 0.752 100 L CB -0.483 41.367 42.059 -0.348 0.000 0.899 100 L HN 0.169 nan 8.230 nan 0.000 0.433 101 S N -0.511 115.143 115.700 -0.077 0.000 2.447 101 S HA -0.116 4.353 4.470 -0.001 0.000 0.233 101 S C 1.341 175.931 174.600 -0.018 0.000 1.006 101 S CA 1.147 59.333 58.200 -0.023 0.000 0.957 101 S CB -0.224 62.983 63.200 0.012 0.000 0.773 101 S HN 0.606 nan 8.310 nan 0.000 0.507 102 K N 0.440 120.827 120.400 -0.022 0.000 2.514 102 K HA 0.335 4.654 4.320 -0.001 0.000 0.207 102 K C -0.575 176.022 176.600 -0.006 0.000 1.035 102 K CA -0.218 56.065 56.287 -0.007 0.000 1.113 102 K CB 0.208 32.710 32.500 0.002 0.000 0.846 102 K HN -0.146 nan 8.250 nan 0.000 0.491 103 Q N 1.307 121.091 119.800 -0.027 0.000 2.457 103 Q HA -0.197 4.142 4.340 -0.001 0.000 0.283 103 Q C -1.022 174.990 176.000 0.021 0.000 1.234 103 Q CA 1.523 57.312 55.803 -0.023 0.000 0.877 103 Q CB -1.676 27.051 28.738 -0.019 0.000 1.250 103 Q HN 0.627 nan 8.270 nan 0.000 0.481 104 D N -2.402 118.019 120.400 0.035 0.000 2.823 104 D HA 0.251 4.890 4.640 -0.001 0.000 0.255 104 D C -2.179 174.197 176.300 0.126 0.000 1.257 104 D CA -1.752 52.306 54.000 0.098 0.000 0.803 104 D CB 0.900 41.749 40.800 0.082 0.000 1.384 104 D HN -0.126 nan 8.370 nan 0.000 0.541 105 P HA -0.106 nan 4.420 nan 0.000 0.214 105 P C 1.268 178.777 177.300 0.347 0.000 1.163 105 P CA 1.223 64.416 63.100 0.154 0.000 0.889 105 P CB 0.059 31.779 31.700 0.034 0.000 0.790 106 W N 0.405 121.873 121.300 0.280 0.000 2.350 106 W HA -0.150 4.509 4.660 -0.001 0.000 0.289 106 W C 2.623 179.204 176.519 0.104 0.000 1.215 106 W CA 1.706 59.089 57.345 0.063 0.000 1.236 106 W CB -1.481 27.922 29.460 -0.096 0.000 1.130 106 W HN 0.009 nan 8.180 nan 0.000 0.541 107 S N -0.840 115.042 115.700 0.304 0.000 2.500 107 S HA -0.179 4.290 4.470 -0.001 0.000 0.239 107 S C 1.324 175.985 174.600 0.102 0.000 0.989 107 S CA 1.466 59.768 58.200 0.170 0.000 0.951 107 S CB -0.344 62.922 63.200 0.111 0.000 0.759 107 S HN 0.156 nan 8.310 nan 0.000 0.523 108 D N 0.221 120.676 120.400 0.091 0.000 2.317 108 D HA 0.156 4.795 4.640 -0.001 0.000 0.211 108 D C -0.374 175.710 176.300 -0.360 0.000 0.966 108 D CA 0.617 54.516 54.000 -0.168 0.000 0.876 108 D CB 0.074 40.678 40.800 -0.327 0.000 0.927 108 D HN 0.506 nan 8.370 nan 0.000 0.519 109 Y N 0.354 120.694 120.300 0.068 0.000 2.528 109 Y HA 0.355 4.904 4.550 -0.002 0.000 0.335 109 Y C 0.648 176.596 175.900 0.079 0.000 1.093 109 Y CA -1.135 57.004 58.100 0.065 0.000 1.134 109 Y CB 1.277 39.757 38.460 0.033 0.000 1.253 109 Y HN -0.218 nan 8.280 nan 0.000 0.478 110 E N 0.762 121.099 120.200 0.228 0.000 2.378 110 E HA 0.581 4.930 4.350 -0.001 0.000 0.265 110 E C -1.241 175.452 176.600 0.155 0.000 0.932 110 E CA -1.460 55.028 56.400 0.147 0.000 0.795 110 E CB 2.253 32.001 29.700 0.079 0.000 1.296 110 E HN 0.574 nan 8.360 nan 0.000 0.438 111 R N 1.464 121.997 120.500 0.056 0.000 2.404 111 R HA 0.538 4.877 4.340 -0.001 0.000 0.291 111 R C -0.401 175.846 176.300 -0.087 0.000 1.025 111 R CA -0.416 55.646 56.100 -0.062 0.000 0.991 111 R CB 0.592 30.606 30.300 -0.476 0.000 1.053 111 R HN 0.711 nan 8.270 nan 0.000 0.479 112 I N -0.491 120.028 120.570 -0.085 0.000 3.095 112 I HA 0.454 4.623 4.170 -0.001 0.000 0.310 112 I C -0.466 175.580 176.117 -0.118 0.000 1.196 112 I CA -1.153 60.101 61.300 -0.076 0.000 0.985 112 I CB 2.299 40.287 38.000 -0.020 0.000 1.250 112 I HN 0.703 nan 8.210 nan 0.000 0.446 113 S N 1.442 117.097 115.700 -0.075 0.000 2.632 113 S HA 0.276 4.745 4.470 -0.001 0.000 0.267 113 S C 0.243 174.814 174.600 -0.048 0.000 1.276 113 S CA -0.351 57.823 58.200 -0.043 0.000 0.998 113 S CB 0.780 63.995 63.200 0.025 0.000 0.953 113 S HN 0.867 nan 8.310 nan 0.000 0.547 114 W N 0.485 121.784 121.300 -0.001 0.000 2.363 114 W HA -0.025 4.634 4.660 -0.002 0.000 0.296 114 W C 2.180 178.669 176.519 -0.050 0.000 1.212 114 W CA 1.378 58.707 57.345 -0.027 0.000 1.260 114 W CB -0.383 29.056 29.460 -0.035 0.000 1.131 114 W HN 0.894 nan 8.180 nan 0.000 0.530 115 D N -0.077 120.438 120.400 0.192 0.000 2.117 115 D HA -0.223 4.416 4.640 -0.001 0.000 0.197 115 D C 1.927 178.269 176.300 0.069 0.000 0.987 115 D CA 1.639 55.701 54.000 0.104 0.000 0.829 115 D CB -0.098 40.751 40.800 0.081 0.000 0.961 115 D HN 0.199 nan 8.370 nan 0.000 0.460 116 E N -0.663 119.570 120.200 0.055 0.000 2.072 116 E HA -0.099 4.250 4.350 -0.001 0.000 0.190 116 E C 2.014 178.647 176.600 0.054 0.000 0.982 116 E CA 0.738 57.165 56.400 0.045 0.000 0.803 116 E CB -0.115 29.602 29.700 0.030 0.000 0.755 116 E HN 0.282 nan 8.360 nan 0.000 0.453 117 A N 0.735 123.571 122.820 0.026 0.000 1.851 117 A HA -0.237 4.082 4.320 -0.001 0.000 0.216 117 A C 2.475 180.116 177.584 0.095 0.000 1.195 117 A CA 2.745 54.800 52.037 0.029 0.000 0.622 117 A CB -1.449 17.482 19.000 -0.115 0.000 0.831 117 A HN 0.513 nan 8.150 nan 0.000 0.444 118 T N -2.905 111.679 114.554 0.050 0.000 2.962 118 T HA -0.100 4.249 4.350 -0.001 0.000 0.270 118 T C 1.271 176.038 174.700 0.111 0.000 1.088 118 T CA 1.623 63.705 62.100 -0.030 0.000 1.127 118 T CB -0.379 68.249 68.868 -0.399 0.000 0.883 118 T HN 0.336 nan 8.240 nan 0.000 0.493 119 D N 1.051 121.506 120.400 0.092 0.000 2.123 119 D HA 0.153 4.792 4.640 -0.001 0.000 0.200 119 D C 1.939 178.306 176.300 0.111 0.000 0.976 119 D CA 0.493 54.552 54.000 0.098 0.000 0.831 119 D CB -0.244 40.597 40.800 0.069 0.000 0.974 119 D HN 0.415 nan 8.370 nan 0.000 0.469 120 I N -0.112 120.527 120.570 0.115 0.000 2.252 120 I HA -0.204 3.965 4.170 -0.001 0.000 0.245 120 I C 2.198 178.353 176.117 0.064 0.000 1.102 120 I CA 0.506 61.859 61.300 0.088 0.000 1.385 120 I CB 0.007 38.095 38.000 0.147 0.000 1.064 120 I HN -0.087 nan 8.210 nan 0.000 0.414 121 V N 0.267 120.311 119.914 0.216 0.000 2.295 121 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 121 V C 2.432 178.657 176.094 0.219 0.000 1.049 121 V CA 1.489 63.951 62.300 0.270 0.000 1.024 121 V CB -0.411 31.614 31.823 0.337 0.000 0.648 121 V HN 0.224 nan 8.190 nan 0.000 0.447 122 V N 0.345 120.442 119.914 0.305 0.000 2.332 122 V HA -0.294 3.825 4.120 -0.001 0.000 0.248 122 V C 2.716 178.894 176.094 0.140 0.000 1.055 122 V CA 2.149 64.607 62.300 0.264 0.000 1.038 122 V CB -1.090 30.899 31.823 0.276 0.000 0.651 122 V HN 0.574 nan 8.190 nan 0.000 0.450 123 A N -0.806 122.065 122.820 0.084 0.000 1.933 123 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 123 A C 2.209 179.797 177.584 0.007 0.000 1.175 123 A CA 1.641 53.699 52.037 0.036 0.000 0.628 123 A CB -0.375 18.631 19.000 0.010 0.000 0.814 123 A HN 0.529 nan 8.150 nan 0.000 0.444 124 E N -0.033 120.136 120.200 -0.053 0.000 2.072 124 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 124 E C 2.014 178.666 176.600 0.085 0.000 0.985 124 E CA 0.997 57.351 56.400 -0.077 0.000 0.801 124 E CB -0.374 29.090 29.700 -0.392 0.000 0.750 124 E HN 0.734 nan 8.360 nan 0.000 0.452 125 I N 1.775 122.425 120.570 0.133 0.000 2.179 125 I HA -0.288 3.881 4.170 -0.001 0.000 0.242 125 I C 2.013 178.197 176.117 0.112 0.000 1.088 125 I CA 0.966 62.370 61.300 0.175 0.000 1.357 125 I CB -0.354 37.769 38.000 0.205 0.000 1.051 125 I HN 0.033 nan 8.210 nan 0.000 0.409 126 N N 0.716 119.454 118.700 0.064 0.000 2.120 126 N HA -0.195 4.544 4.740 -0.001 0.000 0.188 126 N C 1.892 177.395 175.510 -0.011 0.000 1.024 126 N CA 1.136 54.172 53.050 -0.024 0.000 0.852 126 N CB -0.472 37.997 38.487 -0.030 0.000 1.003 126 N HN 0.344 nan 8.380 nan 0.000 0.424 127 R N 0.955 121.486 120.500 0.051 0.000 2.073 127 R HA 0.009 4.348 4.340 -0.001 0.000 0.234 127 R C 2.159 178.525 176.300 0.110 0.000 1.134 127 R CA 1.034 57.182 56.100 0.079 0.000 0.952 127 R CB -0.275 30.071 30.300 0.077 0.000 0.850 127 R HN 0.152 nan 8.270 nan 0.000 0.433 128 I N 0.822 121.494 120.570 0.169 0.000 2.315 128 I HA -0.249 3.920 4.170 -0.001 0.000 0.248 128 I C 2.286 178.542 176.117 0.231 0.000 1.117 128 I CA 1.356 62.826 61.300 0.284 0.000 1.404 128 I CB -0.145 38.051 38.000 0.325 0.000 1.071 128 I HN 0.202 nan 8.210 nan 0.000 0.419 129 K N -0.135 120.355 120.400 0.150 0.000 2.002 129 K HA -0.185 4.134 4.320 -0.001 0.000 0.209 129 K C 2.038 178.723 176.600 0.141 0.000 1.048 129 K CA 1.519 57.880 56.287 0.123 0.000 0.930 129 K CB -0.335 32.189 32.500 0.039 0.000 0.714 129 K HN 0.454 nan 8.250 nan 0.000 0.438 130 H N -0.922 118.169 119.070 0.035 0.000 2.521 130 H HA -0.022 4.534 4.556 -0.001 0.000 0.286 130 H C 1.712 176.992 175.328 -0.080 0.000 1.034 130 H CA 0.429 56.472 56.048 -0.009 0.000 1.278 130 H CB 0.315 30.074 29.762 -0.005 0.000 1.386 130 H HN 0.277 nan 8.280 nan 0.000 0.567 131 A N -0.348 122.446 122.820 -0.044 0.000 1.993 131 A HA 0.028 4.347 4.320 -0.001 0.000 0.207 131 A C 1.051 178.307 177.584 -0.546 0.000 1.224 131 A CA 0.354 52.160 52.037 -0.384 0.000 0.749 131 A CB 0.122 18.736 19.000 -0.643 0.000 0.884 131 A HN 0.288 nan 8.150 nan 0.000 0.467 132 Y N -1.093 119.276 120.300 0.115 0.000 2.452 132 Y HA 0.460 5.010 4.550 -0.001 0.000 0.262 132 Y C 1.265 177.237 175.900 0.120 0.000 1.089 132 Y CA -0.102 58.063 58.100 0.109 0.000 1.262 132 Y CB 0.341 38.872 38.460 0.117 0.000 1.236 132 Y HN 0.523 nan 8.280 nan 0.000 0.512 133 G N 0.362 109.309 108.800 0.245 0.000 2.555 133 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.686 133 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.686 133 G C -2.401 172.632 174.900 0.221 0.000 1.275 133 G CA -0.701 44.524 45.100 0.208 0.000 0.871 133 G HN -0.095 nan 8.290 nan 0.000 0.603 134 P HA -0.107 nan 4.420 nan 0.000 0.217 134 P C 2.236 179.655 177.300 0.198 0.000 1.148 134 P CA 2.514 65.722 63.100 0.180 0.000 0.828 134 P CB -0.029 31.755 31.700 0.140 0.000 0.783 135 S N -0.580 115.242 115.700 0.203 0.000 2.442 135 S HA -0.103 4.367 4.470 -0.001 0.000 0.236 135 S C 1.949 176.665 174.600 0.193 0.000 1.007 135 S CA 1.044 59.344 58.200 0.168 0.000 0.965 135 S CB -1.293 62.046 63.200 0.232 0.000 0.773 135 S HN 0.131 nan 8.310 nan 0.000 0.504 136 A N 0.822 123.777 122.820 0.225 0.000 2.209 136 A HA 0.387 4.707 4.320 -0.001 0.000 0.212 136 A C 0.907 178.617 177.584 0.210 0.000 1.158 136 A CA 0.181 52.339 52.037 0.201 0.000 0.742 136 A CB -0.499 18.644 19.000 0.238 0.000 0.790 136 A HN 0.628 nan 8.150 nan 0.000 0.472 137 I N 1.162 121.881 120.570 0.249 0.000 2.306 137 I HA 0.250 4.419 4.170 -0.001 0.000 0.288 137 I C -0.547 175.765 176.117 0.325 0.000 1.036 137 I CA -0.593 60.890 61.300 0.305 0.000 1.221 137 I CB 1.233 39.440 38.000 0.345 0.000 1.385 137 I HN 0.148 nan 8.210 nan 0.000 0.472 138 L N 6.592 127.985 121.223 0.283 0.000 2.334 138 L HA 0.634 4.973 4.340 -0.001 0.000 0.277 138 L C -0.110 177.060 176.870 0.501 0.000 1.075 138 L CA 0.545 55.535 54.840 0.250 0.000 0.804 138 L CB 1.598 43.597 42.059 -0.100 0.000 1.174 138 L HN 0.585 nan 8.230 nan 0.000 0.438 139 S N 2.448 118.488 115.700 0.566 0.000 2.537 139 S HA 0.759 5.228 4.470 -0.001 0.000 0.271 139 S C -1.190 173.795 174.600 0.642 0.000 1.148 139 S CA -0.255 58.338 58.200 0.655 0.000 0.868 139 S CB 1.427 64.897 63.200 0.450 0.000 1.115 139 S HN 0.969 nan 8.310 nan 0.000 0.461 140 T N 4.212 119.095 114.554 0.548 0.000 3.579 140 T HA 0.568 4.917 4.350 -0.001 0.000 0.360 140 T C -2.974 171.849 174.700 0.205 0.000 1.285 140 T CA -0.823 61.509 62.100 0.387 0.000 1.127 140 T CB 1.691 70.737 68.868 0.297 0.000 1.244 140 T HN 0.466 nan 8.240 nan 0.000 0.476 141 P HA 0.635 nan 4.420 nan 0.000 0.341 141 P C -0.307 177.012 177.300 0.031 0.000 1.349 141 P CA -0.282 62.749 63.100 -0.115 0.000 0.830 141 P CB 0.986 32.278 31.700 -0.680 0.000 1.986 142 S N -2.296 113.363 115.700 -0.068 0.000 2.851 142 S HA 0.345 4.814 4.470 -0.001 0.000 0.317 142 S C 1.514 175.894 174.600 -0.367 0.000 1.144 142 S CA -0.334 57.731 58.200 -0.226 0.000 0.862 142 S CB 0.660 63.786 63.200 -0.123 0.000 1.259 142 S HN 0.284 nan 8.310 nan 0.000 0.564 143 S N 1.019 116.465 115.700 -0.423 0.000 2.353 143 S HA -0.032 4.437 4.470 -0.001 0.000 0.222 143 S C 0.435 174.823 174.600 -0.354 0.000 1.035 143 S CA 1.253 59.234 58.200 -0.364 0.000 1.025 143 S CB -0.384 62.596 63.200 -0.367 0.000 0.902 143 S HN 0.588 nan 8.310 nan 0.000 0.440 144 H N -0.112 119.035 119.070 0.127 0.000 2.525 144 H HA 0.529 5.084 4.556 -0.001 0.000 0.340 144 H C -0.219 175.185 175.328 0.126 0.000 1.168 144 H CA -0.226 55.963 56.048 0.235 0.000 1.247 144 H CB 1.052 31.006 29.762 0.319 0.000 1.568 144 H HN 0.257 nan 8.280 nan 0.000 0.536 145 H N 1.201 120.299 119.070 0.047 0.000 2.985 145 H HA 0.163 4.718 4.556 -0.001 0.000 0.360 145 H C -0.354 174.990 175.328 0.026 0.000 1.221 145 H CA -0.741 55.180 56.048 -0.213 0.000 1.121 145 H CB 1.875 31.017 29.762 -1.034 0.000 1.854 145 H HN 0.391 nan 8.280 nan 0.000 0.551 146 M N 1.562 121.169 119.600 0.012 0.000 2.249 146 M HA -0.113 4.366 4.480 -0.001 0.000 0.340 146 M C 0.687 177.245 176.300 0.430 0.000 1.166 146 M CA 0.454 55.886 55.300 0.220 0.000 1.115 146 M CB -0.106 32.563 32.600 0.115 0.000 1.606 146 M HN 0.436 nan 8.290 nan 0.000 0.448 147 W N 2.059 123.446 121.300 0.144 0.000 2.170 147 W HA 0.332 4.991 4.660 -0.001 0.000 0.342 147 W C 0.276 176.894 176.519 0.164 0.000 1.294 147 W CA 0.693 58.131 57.345 0.154 0.000 1.246 147 W CB 0.971 30.434 29.460 0.005 0.000 1.156 147 W HN 0.764 nan 8.180 nan 0.000 0.572 148 G N 3.513 112.190 108.800 -0.204 0.000 2.693 148 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.290 148 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.290 148 G C -0.090 174.729 174.900 -0.134 0.000 1.378 148 G CA -0.615 44.420 45.100 -0.108 0.000 1.120 148 G HN 0.512 nan 8.290 nan 0.000 0.609 149 N N 0.356 118.904 118.700 -0.253 0.000 2.104 149 N HA -0.114 4.625 4.740 -0.001 0.000 0.190 149 N C 2.565 177.952 175.510 -0.206 0.000 1.024 149 N CA 1.694 54.581 53.050 -0.272 0.000 0.853 149 N CB -0.015 38.239 38.487 -0.387 0.000 1.008 149 N HN 0.489 nan 8.380 nan 0.000 0.424 150 V N -0.344 119.420 119.914 -0.249 0.000 2.548 150 V HA -0.040 4.079 4.120 -0.001 0.000 0.249 150 V C 2.034 178.135 176.094 0.011 0.000 1.055 150 V CA 1.859 64.074 62.300 -0.142 0.000 1.065 150 V CB -0.833 30.914 31.823 -0.126 0.000 0.681 150 V HN 0.404 nan 8.190 nan 0.000 0.462 151 G N -2.513 106.330 108.800 0.070 0.000 3.042 151 G HA2 -0.006 3.953 3.960 -0.001 0.000 0.212 151 G HA3 -0.006 3.953 3.960 -0.001 0.000 0.212 151 G C 0.357 175.313 174.900 0.093 0.000 1.166 151 G CA -0.259 44.940 45.100 0.166 0.000 0.767 151 G HN 0.412 nan 8.290 nan 0.000 0.546 152 Y N 1.761 121.954 120.300 -0.178 0.000 2.511 152 Y HA 0.073 4.623 4.550 -0.002 0.000 0.347 152 Y C 2.398 177.981 175.900 -0.527 0.000 1.257 152 Y CA -0.011 57.770 58.100 -0.532 0.000 1.469 152 Y CB 0.813 39.093 38.460 -0.301 0.000 1.353 152 Y HN 0.225 nan 8.280 nan 0.000 0.617 153 R N 1.549 121.475 120.500 -0.957 0.000 2.159 153 R HA -0.198 4.141 4.340 -0.001 0.000 0.237 153 R C 1.087 177.142 176.300 -0.408 0.000 1.131 153 R CA 2.204 57.917 56.100 -0.645 0.000 0.982 153 R CB -0.701 29.129 30.300 -0.784 0.000 0.868 153 R HN 0.773 nan 8.270 nan 0.000 0.453 154 H N -0.183 118.862 119.070 -0.042 0.000 2.524 154 H HA 0.056 4.611 4.556 -0.002 0.000 0.282 154 H C 1.642 177.119 175.328 0.249 0.000 1.016 154 H CA 1.177 57.328 56.048 0.171 0.000 1.270 154 H CB 0.413 30.393 29.762 0.364 0.000 1.394 154 H HN 0.356 nan 8.280 nan 0.000 0.568 155 S N -0.222 115.635 115.700 0.262 0.000 2.440 155 S HA -0.047 4.423 4.470 -0.001 0.000 0.194 155 S C 2.173 176.877 174.600 0.172 0.000 0.952 155 S CA 0.771 59.098 58.200 0.212 0.000 0.898 155 S CB -0.172 63.120 63.200 0.152 0.000 0.875 155 S HN 0.242 nan 8.310 nan 0.000 0.581 156 T N 1.144 115.806 114.554 0.179 0.000 2.737 156 T HA -0.056 4.293 4.350 -0.001 0.000 0.265 156 T C 1.585 176.442 174.700 0.260 0.000 1.038 156 T CA 1.720 64.003 62.100 0.305 0.000 1.144 156 T CB -0.674 68.461 68.868 0.446 0.000 0.866 156 T HN 0.518 nan 8.240 nan 0.000 0.434 157 Y N 1.110 121.404 120.300 -0.010 0.000 2.081 157 Y HA -0.172 4.377 4.550 -0.001 0.000 0.280 157 Y C 1.935 177.650 175.900 -0.307 0.000 1.163 157 Y CA 1.223 59.157 58.100 -0.277 0.000 1.135 157 Y CB -0.764 37.317 38.460 -0.633 0.000 0.970 157 Y HN 0.280 nan 8.280 nan 0.000 0.498 158 F N -0.166 119.639 119.950 -0.242 0.000 2.186 158 F HA -0.181 4.345 4.527 -0.001 0.000 0.299 158 F C 2.772 178.428 175.800 -0.239 0.000 1.090 158 F CA 0.973 58.778 58.000 -0.325 0.000 1.307 158 F CB -0.257 38.677 39.000 -0.110 0.000 1.019 158 F HN -0.010 nan 8.300 nan 0.000 0.489 159 R N 0.001 120.569 120.500 0.113 0.000 2.096 159 R HA -0.209 4.130 4.340 -0.001 0.000 0.235 159 R C 2.158 178.522 176.300 0.107 0.000 1.127 159 R CA 1.572 57.754 56.100 0.137 0.000 0.968 159 R CB -0.414 30.010 30.300 0.207 0.000 0.861 159 R HN 0.318 nan 8.270 nan 0.000 0.440 160 F N 0.352 120.162 119.950 -0.233 0.000 2.147 160 F HA -0.087 4.439 4.527 -0.001 0.000 0.291 160 F C 2.059 177.449 175.800 -0.683 0.000 1.093 160 F CA 0.979 58.595 58.000 -0.640 0.000 1.263 160 F CB -0.059 38.136 39.000 -1.343 0.000 1.036 160 F HN -0.091 nan 8.300 nan 0.000 0.481 161 M N 0.781 119.903 119.600 -0.796 0.000 2.108 161 M HA -0.263 4.216 4.480 -0.001 0.000 0.261 161 M C 1.779 177.734 176.300 -0.574 0.000 1.066 161 M CA 1.686 56.357 55.300 -1.047 0.000 1.107 161 M CB -1.942 29.554 32.600 -1.840 0.000 1.356 161 M HN 0.332 nan 8.290 nan 0.000 0.406 162 N N -0.140 118.394 118.700 -0.276 0.000 2.272 162 N HA -0.114 4.625 4.740 -0.001 0.000 0.185 162 N C 1.388 176.823 175.510 -0.126 0.000 1.014 162 N CA 0.982 54.008 53.050 -0.041 0.000 0.870 162 N CB -0.096 38.352 38.487 -0.066 0.000 0.975 162 N HN 0.415 nan 8.380 nan 0.000 0.433 163 M N -0.700 118.731 119.600 -0.281 0.000 2.495 163 M HA 0.150 4.629 4.480 -0.001 0.000 0.237 163 M C 1.584 177.679 176.300 -0.342 0.000 1.131 163 M CA 0.282 55.423 55.300 -0.265 0.000 1.032 163 M CB 0.447 32.894 32.600 -0.256 0.000 1.513 163 M HN 0.216 nan 8.290 nan 0.000 0.488 164 M N -0.020 119.318 119.600 -0.437 0.000 3.058 164 M HA 0.304 4.783 4.480 -0.001 0.000 0.242 164 M C 1.030 177.280 176.300 -0.083 0.000 1.512 164 M CA 1.222 56.310 55.300 -0.353 0.000 1.274 164 M CB -0.079 32.144 32.600 -0.628 0.000 1.179 164 M HN 0.168 nan 8.290 nan 0.000 0.573 165 G N -0.217 108.602 108.800 0.032 0.000 3.310 165 G HA2 0.590 4.549 3.960 -0.001 0.000 0.176 165 G HA3 0.590 4.549 3.960 -0.001 0.000 0.176 165 G C -0.871 174.210 174.900 0.303 0.000 1.307 165 G CA -0.076 45.173 45.100 0.249 0.000 0.935 165 G HN 0.536 nan 8.290 nan 0.000 0.628 166 F N -3.320 116.614 119.950 -0.028 0.000 2.944 166 F HA 0.582 5.108 4.527 -0.001 0.000 0.324 166 F C -1.176 174.654 175.800 0.050 0.000 1.151 166 F CA -1.169 56.849 58.000 0.030 0.000 0.883 166 F CB 1.179 40.185 39.000 0.011 0.000 1.341 166 F HN 0.392 nan 8.300 nan 0.000 0.456 167 T N 1.961 116.554 114.554 0.064 0.000 2.743 167 T HA 0.307 4.656 4.350 -0.001 0.000 0.292 167 T C -1.511 173.275 174.700 0.143 0.000 0.972 167 T CA -0.196 61.884 62.100 -0.034 0.000 0.967 167 T CB 0.221 69.125 68.868 0.060 0.000 0.926 167 T HN 0.548 nan 8.240 nan 0.000 0.459 168 Y N 2.812 123.015 120.300 -0.162 0.000 2.310 168 Y HA 0.524 5.073 4.550 -0.002 0.000 0.326 168 Y C 0.119 176.069 175.900 0.082 0.000 1.151 168 Y CA -1.826 56.330 58.100 0.093 0.000 1.195 168 Y CB 0.796 39.268 38.460 0.021 0.000 1.210 168 Y HN 0.658 nan 8.280 nan 0.000 0.483 169 A N 5.795 128.411 122.820 -0.340 0.000 3.016 169 A HA 0.169 4.488 4.320 -0.001 0.000 0.303 169 A C -0.242 176.896 177.584 -0.743 0.000 1.507 169 A CA -0.594 51.224 52.037 -0.364 0.000 1.196 169 A CB -0.842 18.055 19.000 -0.171 0.000 1.169 169 A HN 0.760 nan 8.150 nan 0.000 0.544 170 D N 1.846 121.890 120.400 -0.594 0.000 2.533 170 D HA -0.038 4.601 4.640 -0.001 0.000 0.236 170 D C -0.023 176.081 176.300 -0.328 0.000 1.137 170 D CA 0.681 54.348 54.000 -0.555 0.000 0.867 170 D CB 0.407 41.102 40.800 -0.175 0.000 1.170 170 D HN 0.538 nan 8.370 nan 0.000 0.474 171 H N 2.764 121.711 119.070 -0.205 0.000 2.764 171 H HA 0.058 4.614 4.556 -0.001 0.000 0.341 171 H C 0.730 176.141 175.328 0.138 0.000 1.072 171 H CA -0.338 55.675 56.048 -0.059 0.000 1.444 171 H CB 0.318 30.059 29.762 -0.033 0.000 1.458 171 H HN 0.436 nan 8.280 nan 0.000 0.572 172 N N 3.899 122.796 118.700 0.329 0.000 2.482 172 N HA 0.032 4.771 4.740 -0.001 0.000 0.260 172 N C -2.495 173.311 175.510 0.493 0.000 1.236 172 N CA -1.595 51.678 53.050 0.371 0.000 0.938 172 N CB 0.777 39.444 38.487 0.299 0.000 1.128 172 N HN 0.305 nan 8.380 nan 0.000 0.448 173 P HA 0.039 nan 4.420 nan 0.000 0.231 173 P C -0.146 177.310 177.300 0.261 0.000 1.756 173 P CA -0.203 62.890 63.100 -0.011 0.000 0.990 173 P CB -0.320 31.000 31.700 -0.632 0.000 1.973 174 D N 0.257 120.817 120.400 0.267 0.000 2.160 174 D HA -0.246 4.393 4.640 -0.001 0.000 0.189 174 D C 1.508 177.819 176.300 0.018 0.000 1.003 174 D CA 1.784 55.868 54.000 0.140 0.000 0.846 174 D CB -1.386 39.445 40.800 0.052 0.000 0.949 174 D HN 0.120 nan 8.370 nan 0.000 0.446 175 S N -1.029 114.543 115.700 -0.214 0.000 2.400 175 S HA -0.109 4.360 4.470 -0.001 0.000 0.232 175 S C 1.457 175.665 174.600 -0.653 0.000 1.025 175 S CA 1.101 58.758 58.200 -0.904 0.000 0.993 175 S CB -0.394 61.639 63.200 -1.946 0.000 0.808 175 S HN 0.469 nan 8.310 nan 0.000 0.478 176 W N 1.120 122.416 121.300 -0.007 0.000 3.107 176 W HA 0.200 4.859 4.660 -0.001 0.000 0.293 176 W C 1.336 178.064 176.519 0.347 0.000 1.239 176 W CA -0.475 57.055 57.345 0.308 0.000 1.653 176 W CB -0.305 29.287 29.460 0.220 0.000 1.068 176 W HN 0.208 nan 8.180 nan 0.000 0.615 177 E N 0.753 121.237 120.200 0.474 0.000 2.813 177 E HA -0.313 4.036 4.350 -0.001 0.000 0.233 177 E C 2.093 179.008 176.600 0.524 0.000 0.922 177 E CA 2.532 59.240 56.400 0.513 0.000 1.351 177 E CB -1.523 28.398 29.700 0.369 0.000 1.349 177 E HN 0.323 nan 8.360 nan 0.000 0.485 178 G N -0.499 108.491 108.800 0.317 0.000 2.442 178 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.219 178 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.219 178 G C 1.438 176.328 174.900 -0.015 0.000 1.141 178 G CA 1.095 46.253 45.100 0.097 0.000 0.763 178 G HN 0.332 nan 8.290 nan 0.000 0.554 179 W N -0.622 120.822 121.300 0.239 0.000 2.418 179 W HA 0.112 4.771 4.660 -0.002 0.000 0.292 179 W C 2.415 179.009 176.519 0.125 0.000 1.213 179 W CA 0.738 58.178 57.345 0.158 0.000 1.283 179 W CB -0.389 29.218 29.460 0.245 0.000 1.119 179 W HN 0.230 nan 8.180 nan 0.000 0.542 180 H N -1.057 118.161 119.070 0.248 0.000 2.284 180 H HA -0.161 4.394 4.556 -0.001 0.000 0.304 180 H C 1.315 176.530 175.328 -0.189 0.000 1.069 180 H CA 2.173 58.164 56.048 -0.096 0.000 1.327 180 H CB -0.846 28.740 29.762 -0.292 0.000 1.387 180 H HN 0.193 nan 8.280 nan 0.000 0.498 181 W N 0.387 121.900 121.300 0.355 0.000 2.905 181 W HA 0.180 4.839 4.660 -0.002 0.000 0.251 181 W C 2.276 178.940 176.519 0.240 0.000 1.305 181 W CA 0.524 58.045 57.345 0.294 0.000 1.465 181 W CB 0.109 29.749 29.460 0.300 0.000 1.122 181 W HN 0.292 nan 8.180 nan 0.000 0.659 182 G N -0.618 108.359 108.800 0.295 0.000 2.621 182 G HA2 0.139 4.098 3.960 -0.001 0.000 0.209 182 G HA3 0.139 4.098 3.960 -0.001 0.000 0.209 182 G C 1.635 176.545 174.900 0.017 0.000 1.379 182 G CA 0.365 45.563 45.100 0.163 0.000 0.766 182 G HN 0.164 nan 8.290 nan 0.000 0.599 183 G N 1.087 109.804 108.800 -0.139 0.000 2.505 183 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.220 183 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.220 183 G C 1.813 176.689 174.900 -0.041 0.000 1.145 183 G CA 1.444 46.401 45.100 -0.238 0.000 0.761 183 G HN 0.357 nan 8.290 nan 0.000 0.571 184 M N -0.061 119.552 119.600 0.021 0.000 2.116 184 M HA -0.201 4.278 4.480 -0.001 0.000 0.255 184 M C 2.351 178.566 176.300 -0.142 0.000 1.075 184 M CA 1.770 57.028 55.300 -0.071 0.000 1.087 184 M CB -0.319 32.051 32.600 -0.384 0.000 1.340 184 M HN 0.368 nan 8.290 nan 0.000 0.402 185 H N -1.215 117.854 119.070 -0.001 0.000 2.495 185 H HA -0.093 4.462 4.556 -0.001 0.000 0.287 185 H C 1.928 177.257 175.328 0.003 0.000 1.033 185 H CA 1.628 57.673 56.048 -0.004 0.000 1.307 185 H CB -0.345 29.414 29.762 -0.005 0.000 1.401 185 H HN 0.550 nan 8.280 nan 0.000 0.555 186 M N 0.087 119.714 119.600 0.045 0.000 2.248 186 M HA -0.073 4.407 4.480 -0.001 0.000 0.265 186 M C 1.132 177.470 176.300 0.063 0.000 1.079 186 M CA 1.256 56.517 55.300 -0.065 0.000 1.150 186 M CB 0.352 32.750 32.600 -0.337 0.000 1.366 186 M HN 0.322 nan 8.290 nan 0.000 0.433 187 W N -0.780 120.467 121.300 -0.089 0.000 2.079 187 W HA 0.617 5.276 4.660 -0.002 0.000 0.285 187 W C 0.260 176.726 176.519 -0.088 0.000 0.891 187 W CA 0.037 57.334 57.345 -0.081 0.000 1.308 187 W CB -1.044 28.386 29.460 -0.051 0.000 1.047 187 W HN 0.423 nan 8.180 nan 0.000 0.522 188 G N 1.743 110.679 108.800 0.226 0.000 2.603 188 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.245 188 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.245 188 G C 0.213 174.957 174.900 -0.260 0.000 1.195 188 G CA 0.319 45.359 45.100 -0.100 0.000 0.953 188 G HN 0.520 nan 8.290 nan 0.000 0.566 189 F N 0.618 120.063 119.950 -0.842 0.000 3.091 189 F HA -0.223 4.303 4.527 -0.001 0.000 0.288 189 F C 2.242 177.296 175.800 -1.243 0.000 0.907 189 F CA 1.734 58.776 58.000 -1.596 0.000 1.028 189 F CB -1.877 36.437 39.000 -1.142 0.000 1.022 189 F HN 1.368 nan 8.300 nan 0.000 0.665 190 S N -0.208 115.078 115.700 -0.690 0.000 2.383 190 S HA -0.259 4.210 4.470 -0.001 0.000 0.229 190 S C 1.625 176.070 174.600 -0.257 0.000 1.030 190 S CA 1.426 59.420 58.200 -0.342 0.000 1.002 190 S CB -0.898 62.212 63.200 -0.151 0.000 0.829 190 S HN 0.726 nan 8.310 nan 0.000 0.467 191 W N 1.406 122.690 121.300 -0.027 0.000 2.632 191 W HA 0.276 4.935 4.660 -0.001 0.000 0.248 191 W C 1.651 178.161 176.519 -0.015 0.000 1.259 191 W CA 0.113 57.466 57.345 0.013 0.000 1.288 191 W CB -0.309 29.191 29.460 0.066 0.000 1.136 191 W HN 0.118 nan 8.180 nan 0.000 0.640 192 R N 0.695 120.868 120.500 -0.545 0.000 2.577 192 R HA 0.272 4.611 4.340 -0.001 0.000 0.344 192 R C 0.566 176.668 176.300 -0.329 0.000 1.037 192 R CA -0.241 55.653 56.100 -0.344 0.000 1.102 192 R CB -0.165 29.884 30.300 -0.419 0.000 1.313 192 R HN 0.173 nan 8.270 nan 0.000 0.561 193 L N 0.121 121.090 121.223 -0.423 0.000 3.839 193 L HA -0.327 4.012 4.340 -0.001 0.000 0.416 193 L C 0.841 177.633 176.870 -0.130 0.000 1.195 193 L CA 0.853 55.412 54.840 -0.468 0.000 0.946 193 L CB -1.853 39.499 42.059 -1.177 0.000 1.891 193 L HN 0.665 nan 8.230 nan 0.000 0.963 194 G N -2.392 106.356 108.800 -0.085 0.000 2.232 194 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.226 194 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.226 194 G C 0.256 175.304 174.900 0.247 0.000 0.996 194 G CA 0.186 45.421 45.100 0.225 0.000 0.626 194 G HN 0.376 nan 8.290 nan 0.000 0.509 195 N N 2.410 121.058 118.700 -0.087 0.000 2.503 195 N HA 0.467 5.206 4.740 -0.001 0.000 0.267 195 N C -2.075 172.942 175.510 -0.823 0.000 1.214 195 N CA -1.056 51.717 53.050 -0.461 0.000 0.959 195 N CB 1.253 39.457 38.487 -0.472 0.000 1.142 195 N HN 0.274 nan 8.380 nan 0.000 0.455 196 P HA 0.118 nan 4.420 nan 0.000 0.276 196 P C -0.453 176.334 177.300 -0.855 0.000 1.252 196 P CA -0.337 61.974 63.100 -1.316 0.000 0.802 196 P CB 1.093 32.399 31.700 -0.658 0.000 1.035 197 E N 0.448 120.248 120.200 -0.668 0.000 2.374 197 E HA 0.020 4.370 4.350 -0.001 0.000 0.260 197 E C 0.297 176.790 176.600 -0.178 0.000 1.101 197 E CA -0.168 56.138 56.400 -0.156 0.000 0.907 197 E CB 0.404 30.293 29.700 0.314 0.000 1.014 197 E HN 0.286 nan 8.360 nan 0.000 0.427 198 Q N 1.849 121.504 119.800 -0.242 0.000 2.040 198 Q HA 0.049 4.388 4.340 -0.001 0.000 0.212 198 Q C -0.881 175.028 176.000 -0.152 0.000 0.766 198 Q CA -0.180 55.513 55.803 -0.183 0.000 0.967 198 Q CB 0.345 28.960 28.738 -0.204 0.000 1.202 198 Q HN 0.546 nan 8.270 nan 0.000 0.446 199 Y N 2.585 122.833 120.300 -0.088 0.000 2.987 199 Y HA -0.158 4.391 4.550 -0.001 0.000 0.339 199 Y C 0.937 176.878 175.900 0.068 0.000 1.272 199 Y CA 0.704 58.773 58.100 -0.052 0.000 1.562 199 Y CB 0.127 38.531 38.460 -0.093 0.000 1.253 199 Y HN 0.130 nan 8.280 nan 0.000 0.604 200 D N 1.470 122.064 120.400 0.324 0.000 2.811 200 D HA -0.249 4.390 4.640 -0.001 0.000 0.231 200 D C 0.702 176.955 176.300 -0.078 0.000 1.157 200 D CA 0.826 54.901 54.000 0.125 0.000 0.716 200 D CB -0.932 39.968 40.800 0.167 0.000 1.077 200 D HN 0.651 nan 8.370 nan 0.000 0.428 201 L N -0.552 120.536 121.223 -0.225 0.000 2.375 201 L HA -0.031 4.308 4.340 -0.001 0.000 0.215 201 L C 2.386 178.688 176.870 -0.946 0.000 1.108 201 L CA 0.031 54.498 54.840 -0.621 0.000 0.830 201 L CB -0.053 41.441 42.059 -0.943 0.000 0.959 201 L HN 0.134 nan 8.230 nan 0.000 0.457 202 L N 0.521 121.444 121.223 -0.501 0.000 2.046 202 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 202 L C 2.379 179.077 176.870 -0.286 0.000 1.077 202 L CA 2.012 56.677 54.840 -0.291 0.000 0.747 202 L CB -0.452 41.574 42.059 -0.054 0.000 0.896 202 L HN 0.313 nan 8.230 nan 0.000 0.432 203 E N -1.030 119.028 120.200 -0.236 0.000 2.107 203 E HA -0.273 4.076 4.350 -0.001 0.000 0.191 203 E C 1.853 178.346 176.600 -0.178 0.000 0.982 203 E CA 1.276 57.581 56.400 -0.158 0.000 0.809 203 E CB -0.188 29.455 29.700 -0.094 0.000 0.756 203 E HN 0.649 nan 8.360 nan 0.000 0.459 204 D N -0.672 119.611 120.400 -0.195 0.000 2.178 204 D HA -0.087 4.553 4.640 -0.001 0.000 0.201 204 D C 1.832 178.056 176.300 -0.127 0.000 0.980 204 D CA 1.539 55.507 54.000 -0.054 0.000 0.842 204 D CB -0.297 40.503 40.800 0.000 0.000 0.948 204 D HN 0.294 nan 8.370 nan 0.000 0.472 205 G N 0.107 108.614 108.800 -0.489 0.000 2.394 205 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.214 205 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.214 205 G C 1.652 176.431 174.900 -0.201 0.000 1.176 205 G CA 0.307 45.074 45.100 -0.555 0.000 0.786 205 G HN 0.307 nan 8.290 nan 0.000 0.533 206 L N -0.092 121.022 121.223 -0.183 0.000 2.187 206 L HA -0.055 4.284 4.340 -0.001 0.000 0.213 206 L C 2.847 179.622 176.870 -0.158 0.000 1.100 206 L CA 1.122 55.852 54.840 -0.184 0.000 0.765 206 L CB -0.184 41.680 42.059 -0.325 0.000 0.904 206 L HN 0.192 nan 8.230 nan 0.000 0.437 207 K N -1.506 118.756 120.400 -0.231 0.000 2.211 207 K HA 0.009 4.328 4.320 -0.001 0.000 0.201 207 K C 1.522 177.824 176.600 -0.496 0.000 1.052 207 K CA 0.674 56.719 56.287 -0.403 0.000 0.973 207 K CB 0.227 32.343 32.500 -0.640 0.000 0.766 207 K HN 0.393 nan 8.250 nan 0.000 0.466 208 H N -1.143 117.966 119.070 0.066 0.000 3.241 208 H HA 0.276 4.831 4.556 -0.001 0.000 0.260 208 H C 0.208 175.654 175.328 0.197 0.000 1.084 208 H CA -0.175 55.951 56.048 0.130 0.000 1.203 208 H CB 0.391 30.250 29.762 0.161 0.000 1.524 208 H HN 0.021 nan 8.280 nan 0.000 0.521 209 A N 1.514 124.477 122.820 0.239 0.000 2.531 209 A HA 0.078 4.397 4.320 -0.001 0.000 0.236 209 A C 0.774 178.476 177.584 0.197 0.000 1.062 209 A CA 0.411 52.599 52.037 0.252 0.000 0.760 209 A CB 0.457 19.507 19.000 0.084 0.000 0.995 209 A HN 0.472 nan 8.150 nan 0.000 0.501 210 E N 0.472 120.794 120.200 0.204 0.000 2.505 210 E HA 0.238 4.587 4.350 -0.001 0.000 0.212 210 E C -0.147 176.518 176.600 0.108 0.000 0.825 210 E CA 0.162 56.642 56.400 0.132 0.000 1.333 210 E CB 0.626 30.400 29.700 0.123 0.000 1.319 210 E HN 0.782 nan 8.360 nan 0.000 0.658 211 M N 1.251 120.931 119.600 0.133 0.000 2.414 211 M HA 0.421 4.900 4.480 -0.001 0.000 0.287 211 M C -2.205 174.127 176.300 0.053 0.000 1.181 211 M CA -0.413 54.934 55.300 0.078 0.000 0.933 211 M CB 2.258 34.867 32.600 0.015 0.000 1.732 211 M HN -0.123 nan 8.290 nan 0.000 0.486 212 I N 4.349 124.916 120.570 -0.005 0.000 2.447 212 I HA 0.414 4.583 4.170 -0.001 0.000 0.287 212 I C -1.008 174.783 176.117 -0.542 0.000 1.023 212 I CA -0.997 60.133 61.300 -0.283 0.000 1.083 212 I CB 2.188 39.923 38.000 -0.441 0.000 1.245 212 I HN 0.385 nan 8.210 nan 0.000 0.434 213 V N 6.875 126.419 119.914 -0.616 0.000 2.318 213 V HA 0.289 4.408 4.120 -0.001 0.000 0.271 213 V C -0.359 175.431 176.094 -0.506 0.000 1.030 213 V CA -0.380 61.585 62.300 -0.557 0.000 0.844 213 V CB 0.369 31.798 31.823 -0.656 0.000 1.015 213 V HN 0.361 nan 8.190 nan 0.000 0.460 214 F N 4.361 124.059 119.950 -0.420 0.000 2.413 214 F HA 0.339 4.866 4.527 -0.001 0.000 0.359 214 F C 0.113 175.892 175.800 -0.035 0.000 1.122 214 F CA -0.216 57.572 58.000 -0.354 0.000 1.160 214 F CB 0.646 39.102 39.000 -0.907 0.000 1.146 214 F HN 0.480 nan 8.300 nan 0.000 0.514 215 W N 4.045 125.457 121.300 0.188 0.000 2.411 215 W HA 0.283 4.942 4.660 -0.001 0.000 0.317 215 W C 0.500 177.243 176.519 0.372 0.000 1.030 215 W CA -1.409 56.137 57.345 0.335 0.000 1.239 215 W CB 1.603 31.348 29.460 0.474 0.000 1.304 215 W HN 0.534 nan 8.180 nan 0.000 0.437 216 S N 3.705 119.750 115.700 0.576 0.000 3.631 216 S HA -0.228 4.241 4.470 -0.001 0.000 0.366 216 S C -0.393 174.374 174.600 0.277 0.000 0.993 216 S CA 1.478 59.850 58.200 0.286 0.000 1.167 216 S CB -1.174 61.980 63.200 -0.075 0.000 0.909 216 S HN 0.589 nan 8.310 nan 0.000 0.478 217 S N 0.832 116.710 115.700 0.296 0.000 2.594 217 S HA 0.588 5.058 4.470 -0.001 0.000 0.296 217 S C -1.427 173.273 174.600 0.168 0.000 1.124 217 S CA -0.449 57.892 58.200 0.236 0.000 1.011 217 S CB 1.761 65.141 63.200 0.300 0.000 1.016 217 S HN 0.437 nan 8.310 nan 0.000 0.485 218 D N 5.164 125.616 120.400 0.088 0.000 2.468 218 D HA 0.408 5.047 4.640 -0.001 0.000 0.272 218 D C -2.004 174.286 176.300 -0.016 0.000 1.221 218 D CA -1.941 52.078 54.000 0.033 0.000 0.860 218 D CB 1.533 42.358 40.800 0.043 0.000 1.190 218 D HN 0.216 nan 8.370 nan 0.000 0.509 219 P HA -0.156 nan 4.420 nan 0.000 0.215 219 P C 1.306 178.566 177.300 -0.067 0.000 1.157 219 P CA 1.042 64.094 63.100 -0.080 0.000 0.874 219 P CB 0.515 32.140 31.700 -0.126 0.000 0.790 220 E N -0.854 119.325 120.200 -0.035 0.000 2.058 220 E HA -0.138 4.211 4.350 -0.001 0.000 0.194 220 E C 2.051 178.669 176.600 0.029 0.000 0.997 220 E CA 1.549 57.989 56.400 0.067 0.000 0.801 220 E CB -1.404 28.348 29.700 0.086 0.000 0.746 220 E HN 0.261 nan 8.360 nan 0.000 0.450 221 T N 2.177 116.737 114.554 0.009 0.000 2.614 221 T HA -0.090 4.259 4.350 -0.001 0.000 0.263 221 T C 1.614 176.246 174.700 -0.114 0.000 1.055 221 T CA 1.325 63.401 62.100 -0.039 0.000 1.162 221 T CB -0.191 68.703 68.868 0.043 0.000 0.863 221 T HN 0.137 nan 8.240 nan 0.000 0.414 222 N N 0.957 119.601 118.700 -0.094 0.000 2.376 222 N HA -0.045 4.695 4.740 -0.001 0.000 0.177 222 N C 1.313 176.753 175.510 -0.116 0.000 1.024 222 N CA 1.105 54.091 53.050 -0.106 0.000 0.893 222 N CB -0.071 38.361 38.487 -0.092 0.000 0.980 222 N HN 0.557 nan 8.380 nan 0.000 0.439 223 S N -1.228 114.391 115.700 -0.135 0.000 3.358 223 S HA -0.252 4.217 4.470 -0.001 0.000 0.309 223 S C 1.192 175.726 174.600 -0.110 0.000 1.247 223 S CA 2.010 60.120 58.200 -0.150 0.000 0.961 223 S CB -2.004 61.063 63.200 -0.221 0.000 1.074 223 S HN 0.758 nan 8.310 nan 0.000 0.625 224 G N 0.953 109.706 108.800 -0.078 0.000 4.526 224 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.217 224 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.217 224 G C 0.183 175.087 174.900 0.008 0.000 1.428 224 G CA 0.125 45.183 45.100 -0.070 0.000 0.928 224 G HN 2.091 nan 8.290 nan 0.000 0.639 225 I N -2.625 117.906 120.570 -0.066 0.000 2.565 225 I HA 0.275 4.444 4.170 -0.001 0.000 0.300 225 I C 0.568 176.614 176.117 -0.119 0.000 1.842 225 I CA 0.007 61.205 61.300 -0.171 0.000 1.043 225 I CB -0.126 37.737 38.000 -0.229 0.000 1.628 225 I HN 1.136 nan 8.210 nan 0.000 0.523 226 Y N 2.988 123.314 120.300 0.043 0.000 4.916 226 Y HA -0.317 4.232 4.550 -0.002 0.000 0.247 226 Y C 1.051 176.973 175.900 0.036 0.000 0.962 226 Y CA 0.682 58.761 58.100 -0.034 0.000 1.933 226 Y CB -1.534 36.890 38.460 -0.061 0.000 1.451 226 Y HN 0.732 nan 8.280 nan 0.000 0.539 227 A N 0.769 123.663 122.820 0.123 0.000 2.842 227 A HA 0.593 4.912 4.320 -0.001 0.000 0.298 227 A C 1.547 179.143 177.584 0.020 0.000 1.293 227 A CA 0.818 52.896 52.037 0.069 0.000 0.959 227 A CB -0.786 18.144 19.000 -0.116 0.000 1.119 227 A HN 1.032 nan 8.150 nan 0.000 0.564 228 G N 0.647 109.416 108.800 -0.052 0.000 2.700 228 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.350 228 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.350 228 G C 0.283 174.814 174.900 -0.615 0.000 1.250 228 G CA 1.539 46.455 45.100 -0.307 0.000 0.978 228 G HN 0.770 nan 8.290 nan 0.000 0.551 229 F N 1.582 121.528 119.950 -0.006 0.000 2.841 229 F HA 0.378 4.904 4.527 -0.001 0.000 0.358 229 F C 1.690 177.466 175.800 -0.040 0.000 1.261 229 F CA 0.001 57.974 58.000 -0.045 0.000 1.233 229 F CB 0.962 39.920 39.000 -0.069 0.000 1.008 229 F HN 0.241 nan 8.300 nan 0.000 0.507 230 E N 0.388 120.632 120.200 0.073 0.000 2.070 230 E HA -0.218 4.131 4.350 -0.001 0.000 0.197 230 E C 2.267 178.868 176.600 0.001 0.000 1.004 230 E CA 1.951 58.376 56.400 0.042 0.000 0.805 230 E CB -0.370 29.314 29.700 -0.028 0.000 0.744 230 E HN 0.433 nan 8.360 nan 0.000 0.451 231 S N 1.084 116.768 115.700 -0.027 0.000 2.515 231 S HA -0.090 4.379 4.470 -0.001 0.000 0.231 231 S C 1.657 176.202 174.600 -0.092 0.000 0.987 231 S CA 0.706 58.870 58.200 -0.060 0.000 0.936 231 S CB -0.237 62.914 63.200 -0.082 0.000 0.766 231 S HN 0.174 nan 8.310 nan 0.000 0.528 232 N N 2.354 121.024 118.700 -0.050 0.000 2.060 232 N HA -0.188 4.552 4.740 -0.001 0.000 0.195 232 N C 1.661 177.067 175.510 -0.173 0.000 1.028 232 N CA 1.981 54.987 53.050 -0.073 0.000 0.861 232 N CB -0.487 37.984 38.487 -0.026 0.000 1.029 232 N HN 0.615 nan 8.380 nan 0.000 0.428 233 I N 0.898 121.303 120.570 -0.276 0.000 2.454 233 I HA -0.202 3.967 4.170 -0.001 0.000 0.254 233 I C 2.190 177.780 176.117 -0.877 0.000 1.156 233 I CA 0.802 61.773 61.300 -0.548 0.000 1.433 233 I CB -0.029 37.593 38.000 -0.631 0.000 1.082 233 I HN 0.189 nan 8.210 nan 0.000 0.432 234 R N 0.137 120.294 120.500 -0.570 0.000 2.092 234 R HA -0.110 4.229 4.340 -0.001 0.000 0.231 234 R C 2.302 178.582 176.300 -0.033 0.000 1.119 234 R CA 1.080 57.006 56.100 -0.291 0.000 0.970 234 R CB -0.318 29.962 30.300 -0.035 0.000 0.864 234 R HN 0.356 nan 8.270 nan 0.000 0.440 235 R N 0.227 120.701 120.500 -0.043 0.000 2.153 235 R HA -0.086 4.253 4.340 -0.001 0.000 0.218 235 R C 2.226 178.666 176.300 0.233 0.000 1.072 235 R CA 0.891 57.074 56.100 0.137 0.000 0.990 235 R CB -0.023 30.293 30.300 0.026 0.000 0.889 235 R HN 0.091 nan 8.270 nan 0.000 0.452 236 Q N 0.011 119.840 119.800 0.049 0.000 2.079 236 Q HA -0.160 4.179 4.340 -0.001 0.000 0.200 236 Q C 1.447 177.580 176.000 0.222 0.000 0.974 236 Q CA 1.556 57.404 55.803 0.076 0.000 0.840 236 Q CB -0.075 28.633 28.738 -0.049 0.000 0.898 236 Q HN 0.292 nan 8.270 nan 0.000 0.430 237 W N 0.245 121.628 121.300 0.139 0.000 2.358 237 W HA -0.085 4.574 4.660 -0.001 0.000 0.303 237 W C 1.935 178.501 176.519 0.079 0.000 1.208 237 W CA 0.682 58.110 57.345 0.138 0.000 1.274 237 W CB -1.048 28.412 29.460 -0.001 0.000 1.138 237 W HN 0.236 nan 8.180 nan 0.000 0.515 238 L N 0.223 121.645 121.223 0.331 0.000 2.017 238 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 238 L C 2.579 179.521 176.870 0.120 0.000 1.073 238 L CA 1.652 56.636 54.840 0.241 0.000 0.745 238 L CB -0.952 41.331 42.059 0.374 0.000 0.894 238 L HN -0.094 nan 8.230 nan 0.000 0.432 239 K N 0.115 120.572 120.400 0.095 0.000 2.032 239 K HA -0.211 4.108 4.320 -0.001 0.000 0.209 239 K C 1.550 178.138 176.600 -0.020 0.000 1.048 239 K CA 1.838 58.046 56.287 -0.132 0.000 0.927 239 K CB -0.024 32.454 32.500 -0.037 0.000 0.712 239 K HN 0.255 nan 8.250 nan 0.000 0.441 240 D N 0.626 121.086 120.400 0.101 0.000 2.350 240 D HA -0.091 4.548 4.640 -0.001 0.000 0.216 240 D C 1.429 177.797 176.300 0.114 0.000 0.968 240 D CA 0.696 54.767 54.000 0.118 0.000 0.894 240 D CB 0.147 41.063 40.800 0.193 0.000 0.909 240 D HN 0.285 nan 8.370 nan 0.000 0.520 241 L N -0.544 120.750 121.223 0.118 0.000 2.591 241 L HA 0.169 4.508 4.340 -0.001 0.000 0.228 241 L C 1.369 178.269 176.870 0.050 0.000 1.133 241 L CA 0.208 55.111 54.840 0.106 0.000 0.880 241 L CB 0.064 42.196 42.059 0.121 0.000 1.033 241 L HN 0.087 nan 8.230 nan 0.000 0.450 242 G N 0.006 108.810 108.800 0.007 0.000 2.141 242 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.242 242 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.242 242 G C 0.210 175.077 174.900 -0.056 0.000 0.982 242 G CA 0.005 45.092 45.100 -0.022 0.000 0.662 242 G HN 0.095 nan 8.290 nan 0.000 0.527 243 V N 1.765 121.624 119.914 -0.092 0.000 2.508 243 V HA 0.305 4.425 4.120 -0.001 0.000 0.281 243 V C 0.334 176.256 176.094 -0.288 0.000 1.041 243 V CA -0.512 61.729 62.300 -0.098 0.000 1.016 243 V CB 1.189 33.022 31.823 0.017 0.000 0.984 243 V HN 0.281 nan 8.190 nan 0.000 0.478 244 D N 4.457 124.789 120.400 -0.113 0.000 2.304 244 D HA 0.339 4.978 4.640 -0.001 0.000 0.250 244 D C -0.398 175.979 176.300 0.128 0.000 1.107 244 D CA 0.308 54.257 54.000 -0.084 0.000 0.885 244 D CB 0.897 41.701 40.800 0.006 0.000 1.192 244 D HN 0.392 nan 8.370 nan 0.000 0.436 245 F N 1.034 121.064 119.950 0.133 0.000 2.426 245 F HA 0.346 4.872 4.527 -0.002 0.000 0.348 245 F C 0.083 176.003 175.800 0.200 0.000 1.124 245 F CA -1.045 57.093 58.000 0.230 0.000 1.008 245 F CB 1.565 40.831 39.000 0.444 0.000 1.139 245 F HN -0.140 nan 8.300 nan 0.000 0.452 246 V N 4.589 124.624 119.914 0.201 0.000 2.448 246 V HA 0.367 4.486 4.120 -0.001 0.000 0.295 246 V C -0.697 175.347 176.094 -0.083 0.000 1.025 246 V CA -0.803 61.523 62.300 0.043 0.000 0.859 246 V CB 1.691 33.404 31.823 -0.182 0.000 0.988 246 V HN 0.436 nan 8.190 nan 0.000 0.431 247 F N 4.910 124.875 119.950 0.025 0.000 2.444 247 F HA 0.621 5.147 4.527 -0.001 0.000 0.342 247 F C 0.180 176.004 175.800 0.041 0.000 1.121 247 F CA -0.769 57.295 58.000 0.106 0.000 0.997 247 F CB 1.488 40.577 39.000 0.149 0.000 1.130 247 F HN 0.234 nan 8.300 nan 0.000 0.454 248 I N 3.814 124.436 120.570 0.088 0.000 2.390 248 I HA 0.358 4.527 4.170 -0.001 0.000 0.283 248 I C -1.094 175.128 176.117 0.175 0.000 1.016 248 I CA -0.291 60.981 61.300 -0.047 0.000 1.151 248 I CB 1.277 38.895 38.000 -0.638 0.000 1.293 248 I HN 0.472 nan 8.210 nan 0.000 0.458 249 D N 8.053 128.633 120.400 0.300 0.000 2.812 249 D HA 0.195 4.834 4.640 -0.001 0.000 0.210 249 D C -2.459 174.089 176.300 0.414 0.000 1.260 249 D CA -1.405 52.813 54.000 0.365 0.000 0.817 249 D CB 3.026 44.066 40.800 0.400 0.000 1.694 249 D HN 0.010 nan 8.370 nan 0.000 0.530 250 P HA -0.110 nan 4.420 nan 0.000 0.217 250 P C -0.039 177.539 177.300 0.464 0.000 1.148 250 P CA 1.199 64.464 63.100 0.274 0.000 0.828 250 P CB -0.013 31.807 31.700 0.199 0.000 0.783 251 H N -0.958 118.317 119.070 0.343 0.000 2.457 251 H HA 0.341 4.896 4.556 -0.002 0.000 0.335 251 H C -0.317 175.054 175.328 0.073 0.000 1.115 251 H CA -1.164 55.001 56.048 0.196 0.000 1.219 251 H CB 0.755 30.501 29.762 -0.026 0.000 1.471 251 H HN -0.159 nan 8.280 nan 0.000 0.491 252 M N 6.000 125.157 119.600 -0.739 0.000 2.685 252 M HA -0.007 4.472 4.480 -0.001 0.000 0.316 252 M C -0.530 174.951 176.300 -1.365 0.000 1.523 252 M CA -0.347 53.994 55.300 -1.598 0.000 1.472 252 M CB -0.719 30.638 32.600 -2.073 0.000 1.525 252 M HN 0.666 nan 8.290 nan 0.000 0.471 253 N N 2.422 120.561 118.700 -0.936 0.000 2.326 253 N HA -0.019 4.720 4.740 -0.001 0.000 0.239 253 N C 0.598 175.670 175.510 -0.731 0.000 1.301 253 N CA -0.011 52.555 53.050 -0.807 0.000 0.909 253 N CB 0.301 38.603 38.487 -0.309 0.000 1.156 253 N HN 0.454 nan 8.380 nan 0.000 0.462 254 H N -0.845 118.044 119.070 -0.301 0.000 2.457 254 H HA -0.077 4.478 4.556 -0.001 0.000 0.297 254 H C 1.058 176.206 175.328 -0.300 0.000 1.092 254 H CA 1.752 57.645 56.048 -0.259 0.000 1.309 254 H CB -0.493 29.182 29.762 -0.146 0.000 1.382 254 H HN 0.642 nan 8.280 nan 0.000 0.535 255 T N 0.470 114.872 114.554 -0.253 0.000 2.851 255 T HA 0.060 4.409 4.350 -0.001 0.000 0.262 255 T C 2.347 176.613 174.700 -0.724 0.000 1.043 255 T CA 0.908 62.813 62.100 -0.324 0.000 1.140 255 T CB -0.175 68.577 68.868 -0.194 0.000 0.872 255 T HN 0.449 nan 8.240 nan 0.000 0.446 256 A N 1.908 124.041 122.820 -1.146 0.000 1.969 256 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 256 A C 2.293 179.366 177.584 -0.852 0.000 1.169 256 A CA 1.064 52.121 52.037 -1.633 0.000 0.635 256 A CB -0.405 17.735 19.000 -1.433 0.000 0.810 256 A HN 0.395 nan 8.150 nan 0.000 0.445 257 R N -1.331 118.793 120.500 -0.626 0.000 2.189 257 R HA 0.007 4.346 4.340 -0.001 0.000 0.223 257 R C 1.828 177.956 176.300 -0.287 0.000 1.092 257 R CA 1.134 56.983 56.100 -0.418 0.000 0.989 257 R CB -0.268 29.840 30.300 -0.321 0.000 0.876 257 R HN 0.502 nan 8.270 nan 0.000 0.457 258 L N -0.229 120.822 121.223 -0.286 0.000 2.286 258 L HA 0.021 4.360 4.340 -0.001 0.000 0.203 258 L C 1.193 177.988 176.870 -0.124 0.000 1.068 258 L CA 0.978 55.712 54.840 -0.177 0.000 0.811 258 L CB 0.814 42.785 42.059 -0.146 0.000 0.989 258 L HN -0.005 nan 8.230 nan 0.000 0.467 259 V N -3.001 116.828 119.914 -0.142 0.000 3.070 259 V HA 0.665 4.784 4.120 -0.001 0.000 0.355 259 V C 0.338 176.532 176.094 0.166 0.000 1.400 259 V CA -0.232 62.108 62.300 0.066 0.000 1.170 259 V CB -0.558 31.440 31.823 0.291 0.000 1.169 259 V HN 0.201 nan 8.190 nan 0.000 0.554 260 A N 0.042 122.800 122.820 -0.104 0.000 2.363 260 A HA 0.531 4.850 4.320 -0.001 0.000 0.270 260 A C 0.799 178.468 177.584 0.141 0.000 1.121 260 A CA 0.144 52.205 52.037 0.040 0.000 0.800 260 A CB 0.337 19.160 19.000 -0.295 0.000 1.052 260 A HN 0.464 nan 8.150 nan 0.000 0.493 261 D N 0.170 120.719 120.400 0.247 0.000 2.277 261 D HA 0.083 4.722 4.640 -0.001 0.000 0.209 261 D C 0.241 176.621 176.300 0.134 0.000 0.970 261 D CA 1.104 55.189 54.000 0.141 0.000 0.874 261 D CB 0.440 41.309 40.800 0.116 0.000 0.982 261 D HN 0.468 nan 8.370 nan 0.000 0.504 262 K N -0.464 120.041 120.400 0.175 0.000 2.546 262 K HA 0.316 4.636 4.320 -0.001 0.000 0.264 262 K C -2.345 174.373 176.600 0.197 0.000 0.937 262 K CA -0.773 55.592 56.287 0.131 0.000 0.833 262 K CB 1.917 34.425 32.500 0.012 0.000 1.378 262 K HN -0.098 nan 8.250 nan 0.000 0.432 263 W N 5.642 126.936 121.300 -0.010 0.000 2.957 263 W HA 0.633 5.292 4.660 -0.001 0.000 0.336 263 W C -2.005 174.637 176.519 0.205 0.000 1.087 263 W CA -0.926 56.433 57.345 0.022 0.000 1.235 263 W CB 1.026 30.489 29.460 0.005 0.000 1.399 263 W HN 0.302 nan 8.180 nan 0.000 0.480 264 F N 4.075 123.721 119.950 -0.507 0.000 2.469 264 F HA 0.466 4.992 4.527 -0.002 0.000 0.332 264 F C 0.345 175.624 175.800 -0.869 0.000 1.103 264 F CA -1.759 55.871 58.000 -0.616 0.000 0.979 264 F CB 1.978 40.792 39.000 -0.311 0.000 1.137 264 F HN 0.253 nan 8.300 nan 0.000 0.463 265 S N 5.724 121.042 115.700 -0.637 0.000 2.426 265 S HA 0.433 4.902 4.470 -0.001 0.000 0.236 265 S C -2.758 171.735 174.600 -0.178 0.000 1.368 265 S CA -1.494 56.447 58.200 -0.431 0.000 1.154 265 S CB 0.080 62.939 63.200 -0.570 0.000 1.037 265 S HN 0.271 nan 8.310 nan 0.000 0.481 266 P HA 0.253 nan 4.420 nan 0.000 0.279 266 P C -0.707 176.600 177.300 0.011 0.000 1.239 266 P CA -0.562 62.530 63.100 -0.014 0.000 0.789 266 P CB 0.756 32.506 31.700 0.084 0.000 0.933 267 K N 2.475 122.865 120.400 -0.017 0.000 2.469 267 K HA 0.101 4.420 4.320 -0.001 0.000 0.274 267 K C 0.870 177.460 176.600 -0.016 0.000 0.983 267 K CA -0.270 56.006 56.287 -0.018 0.000 0.974 267 K CB -0.100 32.377 32.500 -0.038 0.000 0.913 267 K HN 0.505 nan 8.250 nan 0.000 0.493 268 I N -1.089 119.459 120.570 -0.036 0.000 2.845 268 I HA 0.014 4.183 4.170 -0.001 0.000 0.296 268 I C 1.028 177.015 176.117 -0.216 0.000 1.216 268 I CA 0.520 61.760 61.300 -0.099 0.000 1.438 268 I CB -0.188 37.758 38.000 -0.089 0.000 1.342 268 I HN 0.848 nan 8.210 nan 0.000 0.577 269 G N 3.447 111.915 108.800 -0.554 0.000 2.153 269 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.252 269 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.252 269 G C 0.513 175.273 174.900 -0.232 0.000 0.994 269 G CA 0.539 45.075 45.100 -0.941 0.000 0.698 269 G HN 1.345 nan 8.290 nan 0.000 0.521 270 T N -3.658 110.920 114.554 0.040 0.000 3.145 270 T HA 0.350 4.699 4.350 -0.001 0.000 0.281 270 T C 1.141 176.128 174.700 0.478 0.000 1.003 270 T CA 0.898 63.170 62.100 0.288 0.000 0.901 270 T CB 0.411 69.344 68.868 0.108 0.000 1.112 270 T HN 0.074 nan 8.240 nan 0.000 0.535 271 D N 2.419 123.233 120.400 0.691 0.000 2.158 271 D HA -0.189 4.450 4.640 -0.001 0.000 0.197 271 D C 1.988 178.803 176.300 0.858 0.000 0.995 271 D CA 1.608 56.103 54.000 0.825 0.000 0.846 271 D CB -0.145 41.167 40.800 0.854 0.000 0.941 271 D HN 0.695 nan 8.370 nan 0.000 0.456 272 H N -0.373 119.077 119.070 0.633 0.000 2.559 272 H HA 0.298 4.853 4.556 -0.002 0.000 0.273 272 H C 1.728 177.503 175.328 0.745 0.000 1.000 272 H CA 0.944 57.347 56.048 0.592 0.000 1.195 272 H CB -0.568 29.566 29.762 0.621 0.000 1.368 272 H HN 0.138 nan 8.280 nan 0.000 0.592 273 A N 1.884 124.931 122.820 0.377 0.000 1.897 273 A HA 0.048 4.367 4.320 -0.001 0.000 0.215 273 A C 2.666 180.398 177.584 0.247 0.000 1.181 273 A CA 0.763 52.827 52.037 0.046 0.000 0.620 273 A CB -0.642 18.094 19.000 -0.440 0.000 0.821 273 A HN 0.338 nan 8.150 nan 0.000 0.443 274 L N 0.455 121.874 121.223 0.326 0.000 2.027 274 L HA -0.172 4.167 4.340 -0.001 0.000 0.206 274 L C 3.069 180.201 176.870 0.437 0.000 1.074 274 L CA 1.723 56.780 54.840 0.363 0.000 0.745 274 L CB -0.705 41.623 42.059 0.449 0.000 0.898 274 L HN 0.616 nan 8.230 nan 0.000 0.433 275 S N -0.274 115.733 115.700 0.510 0.000 2.382 275 S HA -0.185 4.284 4.470 -0.001 0.000 0.228 275 S C 1.926 176.587 174.600 0.101 0.000 1.027 275 S CA 1.011 59.361 58.200 0.250 0.000 0.991 275 S CB -0.895 62.303 63.200 -0.003 0.000 0.823 275 S HN 0.292 nan 8.310 nan 0.000 0.469 276 F N 2.274 122.394 119.950 0.282 0.000 2.186 276 F HA 0.090 4.616 4.527 -0.002 0.000 0.299 276 F C 2.885 178.735 175.800 0.083 0.000 1.090 276 F CA 0.854 58.962 58.000 0.179 0.000 1.307 276 F CB -0.472 38.638 39.000 0.184 0.000 1.019 276 F HN 0.328 nan 8.300 nan 0.000 0.489 277 A N -0.022 122.994 122.820 0.326 0.000 1.968 277 A HA -0.090 4.229 4.320 -0.001 0.000 0.217 277 A C 2.122 179.757 177.584 0.086 0.000 1.169 277 A CA 1.156 53.318 52.037 0.208 0.000 0.638 277 A CB -0.890 18.231 19.000 0.201 0.000 0.812 277 A HN 0.416 nan 8.150 nan 0.000 0.446 278 I N -0.516 120.028 120.570 -0.045 0.000 2.353 278 I HA -0.209 3.960 4.170 -0.001 0.000 0.248 278 I C 2.848 178.491 176.117 -0.790 0.000 1.119 278 I CA 0.942 61.993 61.300 -0.415 0.000 1.417 278 I CB -0.189 37.524 38.000 -0.479 0.000 1.078 278 I HN 0.356 nan 8.210 nan 0.000 0.421 279 A N -0.032 122.545 122.820 -0.405 0.000 1.929 279 A HA -0.238 4.081 4.320 -0.001 0.000 0.216 279 A C 2.235 179.786 177.584 -0.056 0.000 1.176 279 A CA 0.982 52.901 52.037 -0.197 0.000 0.628 279 A CB -0.827 18.242 19.000 0.115 0.000 0.816 279 A HN 0.487 nan 8.150 nan 0.000 0.444 280 Y N 1.408 121.625 120.300 -0.139 0.000 2.128 280 Y HA -0.215 4.334 4.550 -0.002 0.000 0.284 280 Y C 2.588 178.465 175.900 -0.039 0.000 1.154 280 Y CA 2.408 60.441 58.100 -0.112 0.000 1.149 280 Y CB -0.751 37.638 38.460 -0.118 0.000 0.976 280 Y HN 0.297 nan 8.280 nan 0.000 0.505 281 T N -0.026 114.515 114.554 -0.021 0.000 2.708 281 T HA -0.216 4.133 4.350 -0.001 0.000 0.266 281 T C 1.461 176.241 174.700 0.133 0.000 1.037 281 T CA 1.748 63.848 62.100 0.001 0.000 1.146 281 T CB -0.551 68.355 68.868 0.064 0.000 0.865 281 T HN 0.479 nan 8.240 nan 0.000 0.435 282 W N 1.429 122.733 121.300 0.007 0.000 2.363 282 W HA 0.089 4.748 4.660 -0.002 0.000 0.296 282 W C 2.088 178.658 176.519 0.085 0.000 1.212 282 W CA 0.101 57.480 57.345 0.058 0.000 1.260 282 W CB -1.446 28.027 29.460 0.023 0.000 1.131 282 W HN 0.291 nan 8.180 nan 0.000 0.530 283 L N 0.174 121.501 121.223 0.174 0.000 2.027 283 L HA -0.178 4.161 4.340 -0.001 0.000 0.206 283 L C 2.498 179.383 176.870 0.025 0.000 1.074 283 L CA 1.193 56.094 54.840 0.101 0.000 0.745 283 L CB -0.911 41.109 42.059 -0.064 0.000 0.898 283 L HN -0.217 nan 8.230 nan 0.000 0.433 284 K N 0.411 120.708 120.400 -0.171 0.000 2.362 284 K HA -0.110 4.209 4.320 -0.001 0.000 0.200 284 K C 1.145 177.724 176.600 -0.035 0.000 1.046 284 K CA 1.088 57.261 56.287 -0.190 0.000 0.952 284 K CB 0.017 32.275 32.500 -0.403 0.000 0.753 284 K HN 0.487 nan 8.250 nan 0.000 0.466 285 E N -0.111 120.122 120.200 0.055 0.000 2.583 285 E HA 0.020 4.369 4.350 -0.001 0.000 0.213 285 E C -0.860 175.808 176.600 0.115 0.000 0.989 285 E CA -0.126 56.328 56.400 0.089 0.000 0.991 285 E CB 0.490 30.262 29.700 0.120 0.000 1.040 285 E HN 0.122 nan 8.360 nan 0.000 0.481 286 D N 0.834 121.335 120.400 0.168 0.000 2.882 286 D HA -0.165 4.474 4.640 -0.001 0.000 0.229 286 D C -0.143 176.209 176.300 0.086 0.000 1.167 286 D CA 1.301 55.383 54.000 0.138 0.000 0.759 286 D CB -1.332 39.482 40.800 0.023 0.000 1.088 286 D HN 0.227 nan 8.370 nan 0.000 0.425 287 S N -0.111 115.709 115.700 0.201 0.000 3.513 287 S HA 0.437 4.906 4.470 -0.001 0.000 0.209 287 S C -0.161 174.405 174.600 -0.056 0.000 1.446 287 S CA -0.745 57.485 58.200 0.050 0.000 1.150 287 S CB -0.489 62.752 63.200 0.069 0.000 1.266 287 S HN 0.463 nan 8.310 nan 0.000 0.502 288 Y N -2.550 117.629 120.300 -0.202 0.000 2.656 288 Y HA 0.591 5.140 4.550 -0.002 0.000 0.334 288 Y C -1.155 174.647 175.900 -0.163 0.000 1.179 288 Y CA -1.611 56.322 58.100 -0.278 0.000 1.050 288 Y CB 0.239 38.583 38.460 -0.193 0.000 1.308 288 Y HN 0.097 nan 8.280 nan 0.000 0.456 289 D N 2.230 122.544 120.400 -0.144 0.000 2.441 289 D HA 0.130 4.769 4.640 -0.001 0.000 0.243 289 D C 0.457 176.658 176.300 -0.164 0.000 1.257 289 D CA 0.290 54.191 54.000 -0.166 0.000 1.027 289 D CB 0.573 41.303 40.800 -0.117 0.000 1.084 289 D HN 0.706 nan 8.370 nan 0.000 0.514 290 K N 1.848 122.004 120.400 -0.407 0.000 2.097 290 K HA -0.171 4.148 4.320 -0.001 0.000 0.206 290 K C 1.416 177.945 176.600 -0.118 0.000 1.049 290 K CA 0.985 57.074 56.287 -0.329 0.000 0.933 290 K CB 0.304 32.576 32.500 -0.381 0.000 0.717 290 K HN 0.251 nan 8.250 nan 0.000 0.442 291 E N 0.387 120.533 120.200 -0.090 0.000 2.058 291 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 291 E C 1.760 178.352 176.600 -0.014 0.000 0.997 291 E CA 1.228 57.599 56.400 -0.048 0.000 0.801 291 E CB -0.426 29.250 29.700 -0.041 0.000 0.746 291 E HN 0.341 nan 8.360 nan 0.000 0.450 292 Y N 0.684 120.915 120.300 -0.115 0.000 2.145 292 Y HA -0.253 4.296 4.550 -0.001 0.000 0.286 292 Y C 2.133 177.974 175.900 -0.099 0.000 1.145 292 Y CA 1.412 59.446 58.100 -0.110 0.000 1.148 292 Y CB -0.253 38.156 38.460 -0.086 0.000 0.981 292 Y HN -0.119 nan 8.280 nan 0.000 0.507 293 V N 0.390 120.360 119.914 0.094 0.000 2.332 293 V HA -0.362 3.757 4.120 -0.001 0.000 0.248 293 V C 2.650 178.669 176.094 -0.126 0.000 1.055 293 V CA 1.835 64.085 62.300 -0.085 0.000 1.038 293 V CB -1.609 30.032 31.823 -0.303 0.000 0.651 293 V HN 0.583 nan 8.190 nan 0.000 0.450 294 A N -0.265 122.503 122.820 -0.087 0.000 1.940 294 A HA -0.094 4.225 4.320 -0.001 0.000 0.219 294 A C 2.253 179.804 177.584 -0.054 0.000 1.176 294 A CA 2.230 54.238 52.037 -0.047 0.000 0.631 294 A CB -0.522 18.457 19.000 -0.034 0.000 0.814 294 A HN 0.617 nan 8.150 nan 0.000 0.446 295 A N -1.465 121.285 122.820 -0.117 0.000 2.169 295 A HA 0.132 4.451 4.320 -0.001 0.000 0.210 295 A C 1.394 178.857 177.584 -0.201 0.000 1.168 295 A CA 0.761 52.708 52.037 -0.149 0.000 0.813 295 A CB 0.029 18.914 19.000 -0.191 0.000 0.861 295 A HN 0.467 nan 8.150 nan 0.000 0.481 296 N N -0.518 118.031 118.700 -0.253 0.000 2.171 296 N HA 0.309 5.048 4.740 -0.001 0.000 0.212 296 N C 0.186 175.766 175.510 0.117 0.000 1.184 296 N CA 0.671 53.605 53.050 -0.193 0.000 0.888 296 N CB 0.807 38.904 38.487 -0.649 0.000 1.038 296 N HN 0.392 nan 8.380 nan 0.000 0.517 297 A N 0.148 123.040 122.820 0.121 0.000 2.299 297 A HA 0.633 4.952 4.320 -0.001 0.000 0.332 297 A C -1.069 176.718 177.584 0.338 0.000 1.131 297 A CA -0.242 51.968 52.037 0.288 0.000 0.844 297 A CB 1.073 20.173 19.000 0.168 0.000 1.251 297 A HN 0.309 nan 8.150 nan 0.000 0.486 298 H N -1.369 117.897 119.070 0.326 0.000 2.877 298 H HA 0.490 5.045 4.556 -0.002 0.000 0.347 298 H C 0.560 176.073 175.328 0.309 0.000 1.042 298 H CA 0.378 56.579 56.048 0.256 0.000 1.276 298 H CB 1.322 31.208 29.762 0.206 0.000 1.681 298 H HN 1.658 nan 8.280 nan 0.000 0.521 299 G N 3.577 112.233 108.800 -0.239 0.000 2.155 299 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.257 299 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.257 299 G C 0.875 175.825 174.900 0.083 0.000 0.983 299 G CA 0.614 45.638 45.100 -0.126 0.000 0.676 299 G HN 0.603 nan 8.290 nan 0.000 0.528 300 F N 1.176 121.075 119.950 -0.084 0.000 2.171 300 F HA 0.035 4.561 4.527 -0.002 0.000 0.300 300 F C 2.403 178.197 175.800 -0.011 0.000 1.090 300 F CA 2.404 60.267 58.000 -0.229 0.000 1.293 300 F CB 0.021 38.829 39.000 -0.319 0.000 1.013 300 F HN 0.291 nan 8.300 nan 0.000 0.486 301 E N 0.501 120.768 120.200 0.112 0.000 2.070 301 E HA -0.242 4.107 4.350 -0.001 0.000 0.197 301 E C 1.975 178.562 176.600 -0.021 0.000 1.004 301 E CA 2.044 58.476 56.400 0.054 0.000 0.805 301 E CB -0.405 29.341 29.700 0.077 0.000 0.744 301 E HN 0.465 nan 8.360 nan 0.000 0.451 302 E N -0.667 119.541 120.200 0.014 0.000 2.107 302 E HA -0.136 4.213 4.350 -0.001 0.000 0.191 302 E C 1.625 178.254 176.600 0.048 0.000 0.982 302 E CA 0.809 57.226 56.400 0.028 0.000 0.809 302 E CB -0.395 29.334 29.700 0.049 0.000 0.756 302 E HN 0.351 nan 8.360 nan 0.000 0.459 303 W N 1.643 122.855 121.300 -0.145 0.000 2.335 303 W HA -0.172 4.487 4.660 -0.002 0.000 0.311 303 W C 2.350 178.771 176.519 -0.163 0.000 1.213 303 W CA 2.226 59.506 57.345 -0.109 0.000 1.274 303 W CB -0.547 28.815 29.460 -0.163 0.000 1.148 303 W HN 0.071 nan 8.180 nan 0.000 0.498 304 A N -0.047 122.534 122.820 -0.398 0.000 1.978 304 A HA -0.228 4.091 4.320 -0.001 0.000 0.220 304 A C 1.722 179.122 177.584 -0.306 0.000 1.170 304 A CA 2.104 53.846 52.037 -0.492 0.000 0.636 304 A CB -0.946 17.792 19.000 -0.438 0.000 0.810 304 A HN 0.323 nan 8.150 nan 0.000 0.448 305 D N -1.915 118.375 120.400 -0.183 0.000 2.219 305 D HA -0.128 4.511 4.640 -0.001 0.000 0.205 305 D C 1.577 177.782 176.300 -0.159 0.000 0.970 305 D CA 1.319 55.242 54.000 -0.129 0.000 0.851 305 D CB -0.277 40.485 40.800 -0.062 0.000 0.943 305 D HN 0.662 nan 8.370 nan 0.000 0.488 306 Y N 1.420 121.540 120.300 -0.301 0.000 2.220 306 Y HA -0.147 4.403 4.550 -0.002 0.000 0.291 306 Y C 2.144 177.767 175.900 -0.462 0.000 1.129 306 Y CA 0.939 58.831 58.100 -0.348 0.000 1.161 306 Y CB -0.278 37.981 38.460 -0.335 0.000 0.997 306 Y HN -0.238 nan 8.280 nan 0.000 0.522 307 V N 0.783 120.335 119.914 -0.603 0.000 2.407 307 V HA -0.293 3.826 4.120 -0.001 0.000 0.248 307 V C 2.216 178.070 176.094 -0.400 0.000 1.055 307 V CA 1.806 63.741 62.300 -0.609 0.000 1.049 307 V CB -0.709 30.768 31.823 -0.577 0.000 0.662 307 V HN 0.423 nan 8.190 nan 0.000 0.455 308 L N 0.435 121.490 121.223 -0.279 0.000 2.610 308 L HA 0.204 4.543 4.340 -0.001 0.000 0.232 308 L C 1.819 178.563 176.870 -0.210 0.000 1.149 308 L CA 0.831 55.607 54.840 -0.106 0.000 0.872 308 L CB -0.708 41.291 42.059 -0.100 0.000 0.992 308 L HN 0.567 nan 8.230 nan 0.000 0.447 309 G N 0.221 108.778 108.800 -0.404 0.000 2.155 309 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.257 309 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.257 309 G C 1.028 175.771 174.900 -0.263 0.000 0.983 309 G CA 0.765 45.613 45.100 -0.421 0.000 0.676 309 G HN 0.386 nan 8.290 nan 0.000 0.528 310 K N -0.278 120.005 120.400 -0.195 0.000 2.025 310 K HA -0.054 4.265 4.320 -0.001 0.000 0.207 310 K C 2.837 179.378 176.600 -0.099 0.000 1.049 310 K CA 1.985 58.199 56.287 -0.121 0.000 0.933 310 K CB -0.354 32.093 32.500 -0.088 0.000 0.714 310 K HN 0.574 nan 8.250 nan 0.000 0.438 311 T N -0.236 114.266 114.554 -0.086 0.000 3.023 311 T HA -0.072 4.277 4.350 -0.001 0.000 0.266 311 T C 1.226 175.905 174.700 -0.034 0.000 1.093 311 T CA 1.239 63.319 62.100 -0.033 0.000 1.129 311 T CB -0.074 68.809 68.868 0.026 0.000 0.899 311 T HN 0.250 nan 8.240 nan 0.000 0.491 312 D N 0.058 120.401 120.400 -0.095 0.000 2.500 312 D HA 0.229 4.868 4.640 -0.001 0.000 0.217 312 D C 1.471 177.685 176.300 -0.144 0.000 1.159 312 D CA 0.298 54.242 54.000 -0.092 0.000 0.828 312 D CB -0.453 40.303 40.800 -0.074 0.000 1.039 312 D HN 0.503 nan 8.370 nan 0.000 0.512 313 G N 0.040 108.738 108.800 -0.171 0.000 2.147 313 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.244 313 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.244 313 G C 0.062 174.827 174.900 -0.226 0.000 1.005 313 G CA 0.511 45.512 45.100 -0.164 0.000 0.713 313 G HN 0.459 nan 8.290 nan 0.000 0.515 314 T N 1.267 115.610 114.554 -0.351 0.000 3.103 314 T HA 0.463 4.813 4.350 -0.001 0.000 0.352 314 T C -2.832 171.447 174.700 -0.702 0.000 1.048 314 T CA -0.847 60.968 62.100 -0.474 0.000 1.175 314 T CB 2.653 71.226 68.868 -0.491 0.000 1.029 314 T HN 0.036 nan 8.240 nan 0.000 0.498 315 P HA 0.069 nan 4.420 nan 0.000 0.260 315 P C -0.001 176.672 177.300 -1.045 0.000 1.185 315 P CA -0.371 62.320 63.100 -0.682 0.000 0.763 315 P CB 0.406 31.827 31.700 -0.465 0.000 0.776 316 K N 2.687 122.382 120.400 -1.176 0.000 2.408 316 K HA 0.082 4.401 4.320 -0.001 0.000 0.231 316 K C 0.700 176.789 176.600 -0.852 0.000 1.261 316 K CA 0.236 55.786 56.287 -1.230 0.000 1.193 316 K CB -1.341 30.614 32.500 -0.909 0.000 1.431 316 K HN 0.465 nan 8.250 nan 0.000 0.243 317 T N -3.312 110.787 114.554 -0.758 0.000 2.816 317 T HA 0.071 4.421 4.350 -0.001 0.000 0.282 317 T C 1.636 176.330 174.700 -0.009 0.000 0.993 317 T CA -0.715 61.087 62.100 -0.497 0.000 0.994 317 T CB 0.986 69.649 68.868 -0.343 0.000 1.025 317 T HN 0.397 nan 8.240 nan 0.000 0.529 318 C N 0.842 120.162 119.300 0.033 0.000 2.435 318 C HA 0.006 4.465 4.460 -0.001 0.000 0.279 318 C C 2.773 177.762 174.990 -0.001 0.000 1.321 318 C CA 0.555 59.599 59.018 0.044 0.000 1.752 318 C CB -1.436 26.334 27.740 0.050 0.000 1.959 318 C HN 0.979 nan 8.230 nan 0.000 0.500 319 E N -0.281 119.922 120.200 0.004 0.000 2.106 319 E HA -0.190 4.159 4.350 -0.001 0.000 0.192 319 E C 1.645 178.232 176.600 -0.021 0.000 0.984 319 E CA 1.108 57.496 56.400 -0.019 0.000 0.806 319 E CB -0.360 29.335 29.700 -0.008 0.000 0.750 319 E HN 0.865 nan 8.360 nan 0.000 0.458 320 W N 1.234 122.426 121.300 -0.180 0.000 2.381 320 W HA -0.092 4.567 4.660 -0.001 0.000 0.301 320 W C 2.151 178.549 176.519 -0.200 0.000 1.205 320 W CA 1.966 59.188 57.345 -0.206 0.000 1.285 320 W CB -0.362 28.926 29.460 -0.287 0.000 1.133 320 W HN 0.033 nan 8.180 nan 0.000 0.521 321 A N 0.190 122.827 122.820 -0.304 0.000 1.969 321 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 321 A C 2.013 179.352 177.584 -0.409 0.000 1.169 321 A CA 1.830 53.540 52.037 -0.545 0.000 0.635 321 A CB -0.989 17.924 19.000 -0.145 0.000 0.810 321 A HN 0.554 nan 8.150 nan 0.000 0.445 322 E N -0.218 119.824 120.200 -0.263 0.000 2.031 322 E HA -0.252 4.097 4.350 -0.001 0.000 0.193 322 E C 1.993 178.451 176.600 -0.236 0.000 0.994 322 E CA 1.348 57.615 56.400 -0.221 0.000 0.800 322 E CB -0.209 29.396 29.700 -0.159 0.000 0.752 322 E HN 0.718 nan 8.360 nan 0.000 0.447 323 E N -0.181 119.873 120.200 -0.243 0.000 2.209 323 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 323 E C 1.890 178.333 176.600 -0.262 0.000 0.993 323 E CA 1.142 57.412 56.400 -0.218 0.000 0.819 323 E CB 0.184 29.776 29.700 -0.181 0.000 0.745 323 E HN 0.247 nan 8.360 nan 0.000 0.477 324 E N -0.326 119.633 120.200 -0.402 0.000 2.060 324 E HA -0.085 4.264 4.350 -0.001 0.000 0.189 324 E C 2.200 178.674 176.600 -0.210 0.000 0.974 324 E CA 1.399 57.587 56.400 -0.353 0.000 0.808 324 E CB 0.050 29.376 29.700 -0.625 0.000 0.768 324 E HN 0.295 nan 8.360 nan 0.000 0.453 325 S N -1.560 114.008 115.700 -0.220 0.000 2.492 325 S HA 0.242 4.711 4.470 -0.001 0.000 0.218 325 S C 1.649 176.168 174.600 -0.135 0.000 1.016 325 S CA 0.775 58.896 58.200 -0.132 0.000 0.916 325 S CB 0.908 64.047 63.200 -0.103 0.000 0.791 325 S HN 0.300 nan 8.310 nan 0.000 0.513 326 G N 0.623 109.325 108.800 -0.164 0.000 2.194 326 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.236 326 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.236 326 G C 0.027 174.810 174.900 -0.196 0.000 0.987 326 G CA -0.032 44.975 45.100 -0.155 0.000 0.635 326 G HN 0.703 nan 8.290 nan 0.000 0.520 327 V N 2.705 122.474 119.914 -0.241 0.000 2.455 327 V HA 0.382 4.501 4.120 -0.001 0.000 0.273 327 V C -1.461 174.435 176.094 -0.330 0.000 1.045 327 V CA -1.317 60.768 62.300 -0.358 0.000 0.976 327 V CB 1.194 32.737 31.823 -0.466 0.000 0.993 327 V HN 0.118 nan 8.190 nan 0.000 0.475 328 P HA -0.034 nan 4.420 nan 0.000 0.261 328 P C 0.651 177.830 177.300 -0.201 0.000 1.173 328 P CA 0.504 63.474 63.100 -0.217 0.000 0.760 328 P CB 0.631 32.223 31.700 -0.180 0.000 0.783 329 A N 3.990 126.735 122.820 -0.126 0.000 1.883 329 A HA -0.263 4.056 4.320 -0.001 0.000 0.217 329 A C 2.236 179.795 177.584 -0.042 0.000 1.186 329 A CA 2.088 54.078 52.037 -0.078 0.000 0.624 329 A CB -1.849 17.125 19.000 -0.044 0.000 0.822 329 A HN 0.762 nan 8.150 nan 0.000 0.444 330 C N -0.555 118.728 119.300 -0.029 0.000 2.413 330 C HA -0.117 4.342 4.460 -0.001 0.000 0.277 330 C C 2.273 177.282 174.990 0.031 0.000 1.265 330 C CA 1.172 60.197 59.018 0.011 0.000 1.752 330 C CB -1.624 26.124 27.740 0.014 0.000 1.998 330 C HN 0.661 nan 8.230 nan 0.000 0.489 331 E N 1.292 121.481 120.200 -0.017 0.000 2.072 331 E HA -0.069 4.280 4.350 -0.001 0.000 0.191 331 E C 2.164 178.832 176.600 0.114 0.000 0.985 331 E CA 1.412 57.842 56.400 0.051 0.000 0.801 331 E CB -0.236 29.410 29.700 -0.091 0.000 0.750 331 E HN 0.733 nan 8.360 nan 0.000 0.452 332 I N 1.005 121.545 120.570 -0.049 0.000 2.163 332 I HA -0.294 3.876 4.170 -0.001 0.000 0.243 332 I C 2.791 178.998 176.117 0.150 0.000 1.085 332 I CA 1.192 62.525 61.300 0.055 0.000 1.347 332 I CB -0.307 37.680 38.000 -0.022 0.000 1.044 332 I HN 0.026 nan 8.210 nan 0.000 0.408 333 R N 1.269 121.838 120.500 0.114 0.000 2.081 333 R HA -0.163 4.176 4.340 -0.001 0.000 0.235 333 R C 2.390 178.801 176.300 0.185 0.000 1.131 333 R CA 1.550 57.734 56.100 0.140 0.000 0.960 333 R CB -0.240 30.128 30.300 0.113 0.000 0.856 333 R HN 0.358 nan 8.270 nan 0.000 0.436 334 A N 1.134 124.063 122.820 0.181 0.000 1.902 334 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 334 A C 2.032 179.766 177.584 0.251 0.000 1.181 334 A CA 1.289 53.443 52.037 0.196 0.000 0.623 334 A CB -0.619 18.485 19.000 0.173 0.000 0.818 334 A HN 0.399 nan 8.150 nan 0.000 0.443 335 L N -0.217 121.185 121.223 0.298 0.000 2.046 335 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 335 L C 2.614 179.770 176.870 0.475 0.000 1.077 335 L CA 2.143 57.189 54.840 0.344 0.000 0.747 335 L CB -0.871 41.411 42.059 0.371 0.000 0.896 335 L HN 0.343 nan 8.230 nan 0.000 0.432 336 A N -0.129 122.949 122.820 0.430 0.000 1.865 336 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 336 A C 2.424 180.419 177.584 0.685 0.000 1.191 336 A CA 1.996 54.328 52.037 0.492 0.000 0.623 336 A CB -0.587 18.512 19.000 0.165 0.000 0.826 336 A HN 0.516 nan 8.150 nan 0.000 0.444 337 R N -1.235 119.530 120.500 0.443 0.000 2.096 337 R HA -0.164 4.175 4.340 -0.001 0.000 0.235 337 R C 2.496 178.990 176.300 0.324 0.000 1.127 337 R CA 1.648 57.963 56.100 0.358 0.000 0.968 337 R CB -0.255 30.190 30.300 0.242 0.000 0.861 337 R HN 0.659 nan 8.270 nan 0.000 0.440 338 Q N -0.020 119.976 119.800 0.327 0.000 2.083 338 Q HA -0.165 4.174 4.340 -0.001 0.000 0.198 338 Q C 1.659 177.866 176.000 0.345 0.000 0.969 338 Q CA 1.265 57.230 55.803 0.269 0.000 0.838 338 Q CB -0.246 28.624 28.738 0.219 0.000 0.900 338 Q HN 0.380 nan 8.270 nan 0.000 0.436 339 W N 0.665 122.122 121.300 0.262 0.000 2.338 339 W HA -0.167 4.492 4.660 -0.001 0.000 0.304 339 W C 1.963 178.563 176.519 0.135 0.000 1.212 339 W CA 2.162 59.679 57.345 0.286 0.000 1.264 339 W CB -0.956 28.834 29.460 0.550 0.000 1.142 339 W HN 0.299 nan 8.180 nan 0.000 0.512 340 A N 1.154 124.189 122.820 0.359 0.000 1.877 340 A HA -0.256 4.063 4.320 -0.001 0.000 0.216 340 A C 2.078 179.659 177.584 -0.005 0.000 1.186 340 A CA 2.779 54.759 52.037 -0.096 0.000 0.620 340 A CB -0.935 17.955 19.000 -0.184 0.000 0.822 340 A HN 0.471 nan 8.150 nan 0.000 0.443 341 K N -1.335 119.116 120.400 0.084 0.000 2.305 341 K HA 0.050 4.369 4.320 -0.001 0.000 0.199 341 K C 0.189 176.833 176.600 0.072 0.000 1.047 341 K CA 0.434 56.757 56.287 0.061 0.000 0.976 341 K CB 0.065 32.609 32.500 0.073 0.000 0.765 341 K HN 0.086 nan 8.250 nan 0.000 0.474 342 K N 1.755 122.222 120.400 0.112 0.000 2.095 342 K HA 0.201 4.520 4.320 -0.001 0.000 0.252 342 K C -0.569 176.094 176.600 0.104 0.000 0.977 342 K CA -0.805 55.545 56.287 0.105 0.000 0.900 342 K CB 0.786 33.353 32.500 0.112 0.000 1.060 342 K HN 0.000 nan 8.250 nan 0.000 0.449 343 N N 1.741 120.503 118.700 0.104 0.000 2.402 343 N HA 0.086 4.825 4.740 -0.001 0.000 0.259 343 N C -0.842 174.755 175.510 0.145 0.000 1.167 343 N CA 0.323 53.433 53.050 0.102 0.000 0.949 343 N CB 0.267 38.848 38.487 0.158 0.000 1.212 343 N HN 0.288 nan 8.380 nan 0.000 0.493 344 T N 2.478 117.080 114.554 0.081 0.000 2.807 344 T HA 0.363 4.713 4.350 -0.001 0.000 0.279 344 T C -0.454 174.250 174.700 0.005 0.000 0.993 344 T CA -0.397 61.735 62.100 0.054 0.000 0.970 344 T CB 0.632 69.422 68.868 -0.131 0.000 0.950 344 T HN 0.176 nan 8.240 nan 0.000 0.441 345 Y N 1.959 122.259 120.300 0.001 0.000 2.331 345 Y HA 0.519 5.069 4.550 -0.001 0.000 0.338 345 Y C -0.058 175.806 175.900 -0.061 0.000 0.992 345 Y CA -1.459 56.682 58.100 0.069 0.000 1.121 345 Y CB 1.091 39.673 38.460 0.203 0.000 1.184 345 Y HN 0.442 nan 8.280 nan 0.000 0.469 346 L N 4.019 125.344 121.223 0.170 0.000 2.283 346 L HA 0.589 4.928 4.340 -0.001 0.000 0.287 346 L C 0.184 177.094 176.870 0.066 0.000 1.073 346 L CA -0.285 54.636 54.840 0.135 0.000 0.822 346 L CB 0.257 42.538 42.059 0.370 0.000 1.186 346 L HN 0.717 nan 8.230 nan 0.000 0.436 347 A N 5.723 128.487 122.820 -0.094 0.000 3.016 347 A HA 0.694 5.013 4.320 -0.001 0.000 0.303 347 A C 0.437 178.095 177.584 0.123 0.000 1.507 347 A CA -0.083 51.882 52.037 -0.121 0.000 1.196 347 A CB -0.616 18.099 19.000 -0.475 0.000 1.169 347 A HN 0.917 nan 8.150 nan 0.000 0.544 348 A N 1.627 124.561 122.820 0.190 0.000 2.350 348 A HA 0.626 4.945 4.320 -0.001 0.000 0.293 348 A C 1.044 178.857 177.584 0.381 0.000 1.231 348 A CA 0.572 52.834 52.037 0.374 0.000 0.883 348 A CB -0.733 18.402 19.000 0.223 0.000 1.133 348 A HN 2.542 nan 8.150 nan 0.000 0.533 349 G N 1.408 110.522 108.800 0.524 0.000 2.756 349 G HA2 0.214 4.173 3.960 -0.001 0.000 0.678 349 G HA3 0.214 4.173 3.960 -0.001 0.000 0.678 349 G C 0.683 175.689 174.900 0.177 0.000 1.349 349 G CA -0.146 45.176 45.100 0.370 0.000 0.847 349 G HN 1.695 nan 8.290 nan 0.000 0.548 350 G N -1.239 107.637 108.800 0.126 0.000 3.088 350 G HA2 0.435 4.394 3.960 -0.001 0.000 0.217 350 G HA3 0.435 4.394 3.960 -0.001 0.000 0.217 350 G C 1.344 176.216 174.900 -0.048 0.000 1.159 350 G CA 1.421 46.546 45.100 0.042 0.000 0.760 350 G HN 1.339 nan 8.290 nan 0.000 0.550 351 L N -0.785 120.368 121.223 -0.116 0.000 2.749 351 L HA 0.538 4.877 4.340 -0.001 0.000 0.242 351 L C 0.945 177.607 176.870 -0.347 0.000 1.103 351 L CA 1.170 55.826 54.840 -0.306 0.000 0.906 351 L CB 0.694 42.364 42.059 -0.648 0.000 1.228 351 L HN 0.224 nan 8.230 nan 0.000 0.517 352 G N -0.316 108.308 108.800 -0.295 0.000 2.943 352 G HA2 0.422 4.381 3.960 -0.001 0.000 0.250 352 G HA3 0.422 4.381 3.960 -0.001 0.000 0.250 352 G C 0.280 174.879 174.900 -0.501 0.000 0.996 352 G CA -0.258 44.671 45.100 -0.286 0.000 1.248 352 G HN 1.158 nan 8.290 nan 0.000 0.589 353 G N -0.053 108.433 108.800 -0.524 0.000 2.373 353 G HA2 0.458 4.417 3.960 -0.001 0.000 0.634 353 G HA3 0.458 4.417 3.960 -0.001 0.000 0.634 353 G C 0.377 175.029 174.900 -0.414 0.000 1.267 353 G CA 0.489 44.967 45.100 -1.037 0.000 1.008 353 G HN 1.993 nan 8.290 nan 0.000 0.497 354 W N -1.769 119.182 121.300 -0.582 0.000 2.801 354 W HA 0.307 4.966 4.660 -0.002 0.000 0.261 354 W C 1.368 178.157 176.519 0.450 0.000 0.592 354 W CA 2.394 59.745 57.345 0.011 0.000 0.632 354 W CB -1.546 27.778 29.460 -0.226 0.000 1.549 354 W HN 3.042 nan 8.180 nan 0.000 0.391 355 G N -1.059 108.004 108.800 0.438 0.000 3.067 355 G HA2 0.458 4.417 3.960 -0.001 0.000 0.686 355 G HA3 0.458 4.417 3.960 -0.001 0.000 0.686 355 G C 0.459 175.371 174.900 0.019 0.000 1.119 355 G CA 0.547 45.787 45.100 0.233 0.000 0.790 355 G HN 1.798 nan 8.290 nan 0.000 0.605 356 G N 0.656 109.410 108.800 -0.076 0.000 2.485 356 G HA2 0.178 4.138 3.960 -0.001 0.000 0.221 356 G HA3 0.178 4.138 3.960 -0.001 0.000 0.221 356 G C 2.009 176.822 174.900 -0.144 0.000 1.115 356 G CA 2.525 47.583 45.100 -0.071 0.000 0.751 356 G HN 2.058 nan 8.290 nan 0.000 0.567 357 A N 0.452 123.020 122.820 -0.421 0.000 1.969 357 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 357 A C 2.647 179.969 177.584 -0.438 0.000 1.169 357 A CA 1.846 53.479 52.037 -0.673 0.000 0.635 357 A CB -1.037 16.924 19.000 -1.732 0.000 0.810 357 A HN 0.978 nan 8.150 nan 0.000 0.445 358 C N 0.104 119.326 119.300 -0.129 0.000 2.432 358 C HA 0.090 4.549 4.460 -0.001 0.000 0.282 358 C C 1.578 176.622 174.990 0.091 0.000 1.388 358 C CA 0.419 59.523 59.018 0.143 0.000 1.777 358 C CB -1.332 26.651 27.740 0.405 0.000 1.882 358 C HN 0.606 nan 8.230 nan 0.000 0.520 359 R N 0.895 121.429 120.500 0.057 0.000 3.301 359 R HA 0.733 5.072 4.340 -0.001 0.000 0.286 359 R C -0.448 175.875 176.300 0.039 0.000 1.386 359 R CA 0.273 56.421 56.100 0.080 0.000 1.607 359 R CB 0.163 30.519 30.300 0.093 0.000 1.305 359 R HN 0.456 nan 8.270 nan 0.000 0.637 360 A N 0.578 123.411 122.820 0.022 0.000 2.593 360 A HA 0.391 4.710 4.320 -0.001 0.000 0.290 360 A C 0.699 178.256 177.584 -0.045 0.000 1.126 360 A CA -0.436 51.612 52.037 0.019 0.000 0.695 360 A CB 1.380 20.485 19.000 0.176 0.000 1.290 360 A HN 0.426 nan 8.150 nan 0.000 0.414 361 S N 0.175 115.704 115.700 -0.284 0.000 2.465 361 S HA -0.198 4.271 4.470 -0.001 0.000 0.241 361 S C 1.048 175.500 174.600 -0.247 0.000 1.000 361 S CA 1.903 59.707 58.200 -0.660 0.000 0.964 361 S CB -0.572 61.703 63.200 -1.543 0.000 0.763 361 S HN 1.194 nan 8.310 nan 0.000 0.512 362 H N -0.679 118.227 119.070 -0.273 0.000 2.592 362 H HA 0.474 5.029 4.556 -0.001 0.000 0.279 362 H C 1.558 176.792 175.328 -0.155 0.000 1.089 362 H CA -0.139 55.758 56.048 -0.252 0.000 1.150 362 H CB -0.982 28.610 29.762 -0.284 0.000 1.575 362 H HN 0.326 nan 8.280 nan 0.000 0.547 363 G N 1.577 110.256 108.800 -0.202 0.000 2.475 363 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.220 363 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.220 363 G C 1.620 176.448 174.900 -0.120 0.000 1.125 363 G CA 0.977 45.972 45.100 -0.176 0.000 0.755 363 G HN 0.433 nan 8.290 nan 0.000 0.565 364 I N 0.204 120.738 120.570 -0.060 0.000 2.233 364 I HA -0.053 4.116 4.170 -0.001 0.000 0.243 364 I C 2.553 178.584 176.117 -0.143 0.000 1.093 364 I CA 0.808 62.077 61.300 -0.051 0.000 1.380 364 I CB -0.101 37.942 38.000 0.073 0.000 1.067 364 I HN 0.055 nan 8.210 nan 0.000 0.413 365 E N -0.088 120.058 120.200 -0.091 0.000 2.204 365 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 365 E C 1.626 178.163 176.600 -0.105 0.000 0.989 365 E CA 0.894 57.300 56.400 0.010 0.000 0.824 365 E CB -0.353 29.376 29.700 0.048 0.000 0.756 365 E HN 0.591 nan 8.360 nan 0.000 0.477 366 W N 1.652 122.692 121.300 -0.433 0.000 2.407 366 W HA -0.035 4.624 4.660 -0.001 0.000 0.305 366 W C 2.304 178.429 176.519 -0.658 0.000 1.196 366 W CA 2.061 59.112 57.345 -0.490 0.000 1.311 366 W CB -0.423 28.674 29.460 -0.606 0.000 1.135 366 W HN 0.025 nan 8.180 nan 0.000 0.514 367 A N 0.688 122.905 122.820 -1.005 0.000 1.930 367 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 367 A C 2.063 178.848 177.584 -1.330 0.000 1.175 367 A CA 1.580 52.583 52.037 -1.724 0.000 0.627 367 A CB -0.660 17.259 19.000 -1.802 0.000 0.815 367 A HN 0.375 nan 8.150 nan 0.000 0.443 368 R N -0.970 118.937 120.500 -0.988 0.000 2.115 368 R HA -0.059 4.280 4.340 -0.001 0.000 0.226 368 R C 2.333 177.872 176.300 -1.267 0.000 1.100 368 R CA 0.899 56.357 56.100 -1.070 0.000 0.980 368 R CB -0.432 29.301 30.300 -0.945 0.000 0.875 368 R HN 0.533 nan 8.270 nan 0.000 0.445 369 G N 0.831 108.981 108.800 -1.083 0.000 2.408 369 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.217 369 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.217 369 G C 1.414 175.911 174.900 -0.672 0.000 1.150 369 G CA 0.312 45.003 45.100 -0.681 0.000 0.776 369 G HN 0.048 nan 8.290 nan 0.000 0.542 370 M N 0.438 119.493 119.600 -0.908 0.000 2.132 370 M HA 0.114 4.593 4.480 -0.001 0.000 0.263 370 M C 2.617 178.624 176.300 -0.488 0.000 1.065 370 M CA 0.890 55.763 55.300 -0.711 0.000 1.122 370 M CB -1.004 31.081 32.600 -0.857 0.000 1.365 370 M HN 0.213 nan 8.290 nan 0.000 0.411 371 I N 0.109 120.264 120.570 -0.691 0.000 2.286 371 I HA -0.242 3.927 4.170 -0.001 0.000 0.248 371 I C 2.573 178.396 176.117 -0.490 0.000 1.115 371 I CA 1.009 61.884 61.300 -0.708 0.000 1.392 371 I CB -0.548 36.775 38.000 -1.129 0.000 1.065 371 I HN 0.202 nan 8.210 nan 0.000 0.418 372 A N 0.787 123.273 122.820 -0.556 0.000 1.877 372 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 372 A C 2.138 179.724 177.584 0.004 0.000 1.186 372 A CA 1.403 53.225 52.037 -0.358 0.000 0.620 372 A CB -0.646 18.117 19.000 -0.395 0.000 0.822 372 A HN 0.255 nan 8.150 nan 0.000 0.443 373 L N -0.326 120.871 121.223 -0.044 0.000 1.994 373 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 373 L C 3.028 179.993 176.870 0.158 0.000 1.071 373 L CA 2.020 56.908 54.840 0.079 0.000 0.745 373 L CB -1.303 40.684 42.059 -0.119 0.000 0.892 373 L HN 0.401 nan 8.230 nan 0.000 0.431 374 A N -1.688 121.198 122.820 0.110 0.000 1.940 374 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 374 A C 2.369 180.012 177.584 0.099 0.000 1.176 374 A CA 2.340 54.463 52.037 0.143 0.000 0.631 374 A CB -1.016 18.064 19.000 0.134 0.000 0.814 374 A HN 0.449 nan 8.150 nan 0.000 0.446 375 T N -0.007 114.625 114.554 0.130 0.000 2.708 375 T HA -0.140 4.209 4.350 -0.001 0.000 0.266 375 T C 1.917 176.743 174.700 0.211 0.000 1.037 375 T CA 1.783 64.036 62.100 0.254 0.000 1.146 375 T CB -0.310 68.734 68.868 0.292 0.000 0.865 375 T HN 0.460 nan 8.240 nan 0.000 0.435 376 M N 0.701 120.427 119.600 0.209 0.000 2.213 376 M HA -0.058 4.421 4.480 -0.001 0.000 0.263 376 M C 1.912 178.217 176.300 0.009 0.000 1.062 376 M CA 1.175 56.582 55.300 0.178 0.000 1.105 376 M CB -0.149 32.629 32.600 0.296 0.000 1.385 376 M HN 0.060 nan 8.290 nan 0.000 0.417 377 Q N -0.087 119.639 119.800 -0.123 0.000 2.320 377 Q HA 0.172 4.511 4.340 -0.001 0.000 0.201 377 Q C 0.690 176.488 176.000 -0.336 0.000 0.910 377 Q CA 0.469 56.119 55.803 -0.254 0.000 0.946 377 Q CB 0.342 28.953 28.738 -0.211 0.000 1.062 377 Q HN 0.661 nan 8.270 nan 0.000 0.503 378 G N 2.729 111.185 108.800 -0.573 0.000 2.326 378 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.286 378 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.286 378 G C 0.268 174.640 174.900 -0.880 0.000 1.096 378 G CA 0.462 44.742 45.100 -1.367 0.000 1.003 378 G HN 0.453 nan 8.290 nan 0.000 0.503 379 M N -0.817 118.520 119.600 -0.439 0.000 2.245 379 M HA 0.431 4.910 4.480 -0.001 0.000 0.335 379 M C 1.454 177.751 176.300 -0.005 0.000 1.155 379 M CA 1.695 56.929 55.300 -0.110 0.000 1.055 379 M CB 0.754 33.408 32.600 0.089 0.000 1.670 379 M HN 1.767 nan 8.290 nan 0.000 0.447 380 G N 2.411 111.204 108.800 -0.012 0.000 2.284 380 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.216 380 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.216 380 G C -0.008 174.885 174.900 -0.012 0.000 1.009 380 G CA 0.177 45.295 45.100 0.031 0.000 0.625 380 G HN 1.088 nan 8.290 nan 0.000 0.501 381 K N 1.217 121.572 120.400 -0.074 0.000 2.126 381 K HA 0.606 4.925 4.320 -0.001 0.000 0.257 381 K C -2.827 173.697 176.600 -0.126 0.000 1.007 381 K CA -1.680 54.553 56.287 -0.090 0.000 0.928 381 K CB 1.008 33.436 32.500 -0.121 0.000 1.013 381 K HN 0.039 nan 8.250 nan 0.000 0.473 382 P HA -0.035 nan 4.420 nan 0.000 0.260 382 P C 0.415 177.562 177.300 -0.254 0.000 1.185 382 P CA 1.356 64.307 63.100 -0.248 0.000 0.763 382 P CB 0.453 31.898 31.700 -0.425 0.000 0.776 383 G N 2.121 110.883 108.800 -0.064 0.000 2.179 383 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.260 383 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.260 383 G C 0.297 174.958 174.900 -0.399 0.000 0.977 383 G CA 0.264 45.376 45.100 0.020 0.000 0.641 383 G HN 0.780 nan 8.290 nan 0.000 0.533 384 S N 0.071 115.472 115.700 -0.498 0.000 2.733 384 S HA 0.703 5.172 4.470 -0.001 0.000 0.294 384 S C -0.661 173.668 174.600 -0.452 0.000 1.149 384 S CA 0.040 57.943 58.200 -0.495 0.000 1.034 384 S CB 1.230 64.268 63.200 -0.270 0.000 1.015 384 S HN 0.699 nan 8.310 nan 0.000 0.486 385 N N 2.627 121.043 118.700 -0.474 0.000 3.373 385 N HA 0.275 5.014 4.740 -0.001 0.000 0.275 385 N C -1.934 173.615 175.510 0.066 0.000 1.489 385 N CA -0.523 52.445 53.050 -0.137 0.000 0.872 385 N CB 1.335 39.793 38.487 -0.047 0.000 1.555 385 N HN 0.672 nan 8.380 nan 0.000 0.500 386 M N 1.452 121.150 119.600 0.164 0.000 2.088 386 M HA 0.439 4.918 4.480 -0.001 0.000 0.346 386 M C -1.763 174.719 176.300 0.303 0.000 1.111 386 M CA -0.519 54.904 55.300 0.205 0.000 1.017 386 M CB 0.696 33.389 32.600 0.155 0.000 1.568 386 M HN 0.526 nan 8.290 nan 0.000 0.445 387 W N 3.330 124.673 121.300 0.072 0.000 3.615 387 W HA 0.376 5.035 4.660 -0.001 0.000 0.319 387 W C -1.041 175.439 176.519 -0.065 0.000 1.172 387 W CA -0.545 56.810 57.345 0.016 0.000 1.240 387 W CB 1.530 31.056 29.460 0.110 0.000 1.313 387 W HN 0.545 nan 8.180 nan 0.000 0.487 388 S N 2.157 117.629 115.700 -0.379 0.000 2.575 388 S HA 0.011 4.481 4.470 -0.001 0.000 0.215 388 S C 1.422 175.587 174.600 -0.725 0.000 0.966 388 S CA 1.034 58.969 58.200 -0.441 0.000 0.911 388 S CB -0.058 63.015 63.200 -0.212 0.000 0.780 388 S HN 1.085 nan 8.310 nan 0.000 0.514 389 T N -1.146 112.430 114.554 -1.631 0.000 6.386 389 T HA -0.269 4.080 4.350 -0.001 0.000 0.278 389 T C 1.030 175.383 174.700 -0.577 0.000 2.163 389 T CA 1.941 63.035 62.100 -1.678 0.000 3.541 389 T CB -2.701 65.504 68.868 -1.105 0.000 1.383 389 T HN 0.564 nan 8.240 nan 0.000 1.186 390 T N -2.623 111.712 114.554 -0.365 0.000 3.040 390 T HA 0.378 4.727 4.350 -0.001 0.000 0.252 390 T C 0.856 175.526 174.700 -0.050 0.000 1.064 390 T CA 0.357 62.361 62.100 -0.160 0.000 1.110 390 T CB 0.287 69.056 68.868 -0.165 0.000 0.921 390 T HN 0.800 nan 8.240 nan 0.000 0.480 391 Q N -0.214 119.608 119.800 0.036 0.000 2.712 391 Q HA 0.578 4.917 4.340 -0.001 0.000 0.267 391 Q C 0.582 176.724 176.000 0.236 0.000 1.062 391 Q CA -0.592 55.239 55.803 0.046 0.000 0.888 391 Q CB 1.419 30.098 28.738 -0.098 0.000 1.374 391 Q HN 0.370 nan 8.270 nan 0.000 0.498 392 G N -0.558 108.281 108.800 0.064 0.000 2.159 392 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.227 392 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.227 392 G C -0.118 174.777 174.900 -0.009 0.000 0.986 392 G CA -0.054 45.061 45.100 0.026 0.000 0.651 392 G HN 0.324 nan 8.290 nan 0.000 0.523 393 V N 1.353 121.257 119.914 -0.016 0.000 2.572 393 V HA 0.268 4.387 4.120 -0.001 0.000 0.291 393 V C -0.907 175.018 176.094 -0.282 0.000 1.039 393 V CA -0.472 61.701 62.300 -0.212 0.000 1.055 393 V CB 1.293 33.034 31.823 -0.137 0.000 0.969 393 V HN 0.103 nan 8.190 nan 0.000 0.482 394 P HA 0.083 nan 4.420 nan 0.000 0.290 394 P C -0.091 176.907 177.300 -0.503 0.000 1.584 394 P CA 0.382 63.135 63.100 -0.579 0.000 0.813 394 P CB -0.242 31.073 31.700 -0.641 0.000 1.775 395 L N -0.702 120.332 121.223 -0.316 0.000 2.479 395 L HA 0.250 4.589 4.340 -0.001 0.000 0.248 395 L C 1.051 177.809 176.870 -0.186 0.000 1.205 395 L CA -0.607 54.182 54.840 -0.086 0.000 0.817 395 L CB 0.225 42.418 42.059 0.222 0.000 1.162 395 L HN -0.099 nan 8.230 nan 0.000 0.486 396 D N -0.435 119.974 120.400 0.014 0.000 2.402 396 D HA 0.053 4.692 4.640 -0.001 0.000 0.235 396 D C 0.632 177.119 176.300 0.311 0.000 1.226 396 D CA 0.238 54.279 54.000 0.069 0.000 0.918 396 D CB 0.174 41.052 40.800 0.130 0.000 1.043 396 D HN 0.295 nan 8.370 nan 0.000 0.506 397 Y N 1.401 121.890 120.300 0.316 0.000 2.639 397 Y HA -0.055 4.494 4.550 -0.002 0.000 0.297 397 Y C 1.828 177.928 175.900 0.334 0.000 1.151 397 Y CA 0.066 58.404 58.100 0.398 0.000 1.335 397 Y CB 0.360 39.014 38.460 0.324 0.000 0.994 397 Y HN 0.404 nan 8.280 nan 0.000 0.548 398 E N 0.030 120.470 120.200 0.400 0.000 2.318 398 E HA -0.073 4.276 4.350 -0.001 0.000 0.193 398 E C -0.002 176.810 176.600 0.353 0.000 0.998 398 E CA -0.105 56.484 56.400 0.315 0.000 0.859 398 E CB 0.128 29.968 29.700 0.232 0.000 0.812 398 E HN 0.189 nan 8.360 nan 0.000 0.492 399 F N 1.188 121.289 119.950 0.252 0.000 2.456 399 F HA 0.164 4.691 4.527 -0.001 0.000 0.358 399 F C -0.587 175.390 175.800 0.295 0.000 1.095 399 F CA -0.742 57.404 58.000 0.243 0.000 1.216 399 F CB 0.420 39.521 39.000 0.169 0.000 1.125 399 F HN -0.166 nan 8.300 nan 0.000 0.549 400 Y N 7.938 127.871 120.300 -0.612 0.000 2.328 400 Y HA 0.506 5.055 4.550 -0.001 0.000 0.337 400 Y C -1.973 173.670 175.900 -0.428 0.000 0.966 400 Y CA -1.506 56.392 58.100 -0.337 0.000 1.136 400 Y CB 0.780 39.150 38.460 -0.150 0.000 1.170 400 Y HN 0.566 nan 8.280 nan 0.000 0.470 401 F N 8.479 127.838 119.950 -0.985 0.000 2.574 401 F HA 0.649 5.175 4.527 -0.001 0.000 0.313 401 F C -2.763 172.613 175.800 -0.706 0.000 1.130 401 F CA -2.616 54.931 58.000 -0.756 0.000 0.936 401 F CB 2.011 40.881 39.000 -0.218 0.000 1.219 401 F HN 0.381 nan 8.300 nan 0.000 0.445 402 P HA 0.304 nan 4.420 nan 0.000 0.275 402 P C -0.468 176.693 177.300 -0.232 0.000 1.227 402 P CA -0.122 62.600 63.100 -0.631 0.000 0.781 402 P CB 0.930 32.025 31.700 -1.008 0.000 0.906 403 G N 1.096 109.809 108.800 -0.146 0.000 2.462 403 G HA2 0.292 4.251 3.960 -0.001 0.000 0.319 403 G HA3 0.292 4.251 3.960 -0.001 0.000 0.319 403 G C 0.282 174.983 174.900 -0.331 0.000 1.171 403 G CA -0.541 44.446 45.100 -0.188 0.000 0.920 403 G HN 0.549 nan 8.290 nan 0.000 0.499 404 Y N -0.626 119.443 120.300 -0.386 0.000 2.207 404 Y HA -0.056 4.493 4.550 -0.001 0.000 0.287 404 Y C 2.490 178.101 175.900 -0.482 0.000 1.156 404 Y CA 1.205 58.973 58.100 -0.554 0.000 1.182 404 Y CB -0.953 36.800 38.460 -1.178 0.000 0.979 404 Y HN 0.372 nan 8.280 nan 0.000 0.521 405 A N 0.843 123.255 122.820 -0.681 0.000 2.178 405 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 405 A C 1.804 179.238 177.584 -0.249 0.000 1.157 405 A CA 1.313 52.986 52.037 -0.607 0.000 0.689 405 A CB -0.799 17.680 19.000 -0.868 0.000 0.787 405 A HN 0.678 nan 8.150 nan 0.000 0.465 406 E N -1.211 118.903 120.200 -0.144 0.000 2.463 406 E HA 0.250 4.599 4.350 -0.001 0.000 0.191 406 E C 1.268 177.946 176.600 0.130 0.000 1.083 406 E CA 0.220 56.649 56.400 0.049 0.000 0.872 406 E CB -0.275 29.463 29.700 0.064 0.000 0.966 406 E HN 0.716 nan 8.360 nan 0.000 0.491 407 G N 0.568 109.458 108.800 0.151 0.000 2.234 407 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.260 407 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.260 407 G C 0.907 175.981 174.900 0.290 0.000 0.987 407 G CA 0.056 45.325 45.100 0.282 0.000 0.625 407 G HN 0.720 nan 8.290 nan 0.000 0.532 408 G N 0.715 109.645 108.800 0.216 0.000 2.651 408 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.315 408 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.315 408 G C 1.330 176.503 174.900 0.456 0.000 1.258 408 G CA 2.324 47.632 45.100 0.348 0.000 1.002 408 G HN 1.970 nan 8.290 nan 0.000 0.551 409 I N -0.054 120.650 120.570 0.223 0.000 3.564 409 I HA 0.296 4.465 4.170 -0.001 0.000 0.294 409 I C 2.166 178.387 176.117 0.174 0.000 1.289 409 I CA 1.573 62.910 61.300 0.062 0.000 1.325 409 I CB 0.010 37.608 38.000 -0.669 0.000 1.039 409 I HN 0.466 nan 8.210 nan 0.000 0.474 410 S N 0.773 116.608 115.700 0.224 0.000 2.441 410 S HA 0.252 4.721 4.470 -0.001 0.000 0.224 410 S C 1.837 176.485 174.600 0.080 0.000 1.043 410 S CA 0.498 58.788 58.200 0.150 0.000 0.948 410 S CB -0.384 62.926 63.200 0.184 0.000 0.810 410 S HN 0.733 nan 8.310 nan 0.000 0.504 411 G N 2.039 110.958 108.800 0.198 0.000 2.198 411 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.260 411 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.260 411 G C -0.211 174.654 174.900 -0.059 0.000 1.025 411 G CA 0.310 45.448 45.100 0.063 0.000 0.769 411 G HN 0.614 nan 8.290 nan 0.000 0.507 412 D N 0.075 120.473 120.400 -0.003 0.000 2.441 412 D HA 0.209 4.848 4.640 -0.001 0.000 0.243 412 D C 1.650 177.923 176.300 -0.045 0.000 1.257 412 D CA 0.036 53.985 54.000 -0.086 0.000 1.027 412 D CB -0.412 40.286 40.800 -0.169 0.000 1.084 412 D HN 0.249 nan 8.370 nan 0.000 0.514 413 C N 2.399 121.660 119.300 -0.066 0.000 2.430 413 C HA -0.081 4.378 4.460 -0.001 0.000 0.288 413 C C 2.139 177.137 174.990 0.013 0.000 1.448 413 C CA 0.328 59.335 59.018 -0.018 0.000 1.784 413 C CB -0.869 26.836 27.740 -0.059 0.000 1.776 413 C HN 0.703 nan 8.230 nan 0.000 0.547 414 E N 0.271 120.445 120.200 -0.042 0.000 2.389 414 E HA 0.037 4.386 4.350 -0.001 0.000 0.199 414 E C 1.421 177.991 176.600 -0.050 0.000 0.978 414 E CA 0.437 56.814 56.400 -0.039 0.000 0.912 414 E CB 0.064 29.713 29.700 -0.084 0.000 0.907 414 E HN 0.511 nan 8.360 nan 0.000 0.494 415 N N 0.401 119.027 118.700 -0.122 0.000 2.177 415 N HA 0.078 4.817 4.740 -0.001 0.000 0.218 415 N C -0.673 174.921 175.510 0.140 0.000 1.182 415 N CA 0.456 53.422 53.050 -0.139 0.000 0.882 415 N CB 1.523 39.627 38.487 -0.638 0.000 1.052 415 N HN 0.127 nan 8.380 nan 0.000 0.519 416 S N -1.335 114.482 115.700 0.195 0.000 2.625 416 S HA 0.609 5.078 4.470 -0.001 0.000 0.271 416 S C -0.424 174.323 174.600 0.245 0.000 1.161 416 S CA -0.683 57.715 58.200 0.330 0.000 0.820 416 S CB 1.716 65.138 63.200 0.370 0.000 1.137 416 S HN -0.032 nan 8.310 nan 0.000 0.470 417 A N 0.415 123.371 122.820 0.227 0.000 2.412 417 A HA 0.666 4.985 4.320 -0.001 0.000 0.253 417 A C 1.644 179.421 177.584 0.322 0.000 1.334 417 A CA 0.346 52.555 52.037 0.287 0.000 0.929 417 A CB -1.393 17.781 19.000 0.290 0.000 0.983 417 A HN 1.385 nan 8.150 nan 0.000 0.508 418 A N -0.349 122.622 122.820 0.251 0.000 2.015 418 A HA 0.137 4.456 4.320 -0.001 0.000 0.219 418 A C 2.108 179.780 177.584 0.146 0.000 1.163 418 A CA 1.454 53.632 52.037 0.236 0.000 0.646 418 A CB -0.713 18.403 19.000 0.193 0.000 0.806 418 A HN 0.782 nan 8.150 nan 0.000 0.448 419 G N -2.073 106.820 108.800 0.155 0.000 2.708 419 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.210 419 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.210 419 G C 1.140 176.304 174.900 0.440 0.000 1.141 419 G CA 0.795 46.015 45.100 0.200 0.000 0.788 419 G HN 0.483 nan 8.290 nan 0.000 0.531 420 F N -0.156 119.894 119.950 0.167 0.000 2.219 420 F HA 0.305 4.831 4.527 -0.001 0.000 0.294 420 F C 2.115 177.893 175.800 -0.036 0.000 1.086 420 F CA 1.634 59.592 58.000 -0.070 0.000 1.330 420 F CB 0.390 39.092 39.000 -0.496 0.000 1.047 420 F HN 0.110 nan 8.300 nan 0.000 0.495 421 K N -2.923 117.579 120.400 0.169 0.000 3.035 421 K HA -0.046 4.273 4.320 -0.001 0.000 0.186 421 K C 1.719 178.452 176.600 0.222 0.000 1.903 421 K CA 0.213 56.552 56.287 0.087 0.000 1.445 421 K CB -0.920 31.398 32.500 -0.303 0.000 2.187 421 K HN 0.051 nan 8.250 nan 0.000 0.619 422 F N 2.809 122.831 119.950 0.119 0.000 2.120 422 F HA -0.127 4.399 4.527 -0.001 0.000 0.300 422 F C 1.945 177.711 175.800 -0.058 0.000 1.095 422 F CA 2.156 60.185 58.000 0.047 0.000 1.249 422 F CB -0.370 38.657 39.000 0.046 0.000 0.995 422 F HN 0.202 nan 8.300 nan 0.000 0.480 423 A N -0.167 122.562 122.820 -0.152 0.000 1.892 423 A HA -0.261 4.058 4.320 -0.001 0.000 0.218 423 A C 2.032 179.361 177.584 -0.425 0.000 1.188 423 A CA 1.974 53.820 52.037 -0.319 0.000 0.631 423 A CB -1.815 16.859 19.000 -0.543 0.000 0.822 423 A HN 0.650 nan 8.150 nan 0.000 0.447 424 W N -0.557 120.675 121.300 -0.114 0.000 2.465 424 W HA 0.006 4.665 4.660 -0.001 0.000 0.268 424 W C 2.397 178.783 176.519 -0.220 0.000 1.242 424 W CA 0.941 58.198 57.345 -0.146 0.000 1.248 424 W CB -0.133 29.222 29.460 -0.176 0.000 1.118 424 W HN 0.241 nan 8.180 nan 0.000 0.587 425 R N -0.939 119.444 120.500 -0.195 0.000 2.146 425 R HA 0.087 4.426 4.340 -0.001 0.000 0.206 425 R C 1.997 177.977 176.300 -0.534 0.000 1.049 425 R CA 0.765 56.679 56.100 -0.310 0.000 1.029 425 R CB -0.544 29.580 30.300 -0.292 0.000 0.949 425 R HN 0.110 nan 8.270 nan 0.000 0.471 426 M N 0.160 119.203 119.600 -0.929 0.000 2.254 426 M HA 0.058 4.537 4.480 -0.001 0.000 0.265 426 M C -0.428 175.213 176.300 -1.099 0.000 1.066 426 M CA 1.576 56.150 55.300 -1.211 0.000 1.123 426 M CB 0.352 31.870 32.600 -1.803 0.000 1.388 426 M HN -0.161 nan 8.290 nan 0.000 0.425 427 F N -0.399 119.352 119.950 -0.331 0.000 2.561 427 F HA 0.339 4.865 4.527 -0.001 0.000 0.321 427 F C 0.600 176.263 175.800 -0.228 0.000 1.065 427 F CA -0.976 56.865 58.000 -0.264 0.000 0.934 427 F CB 1.153 40.007 39.000 -0.244 0.000 1.215 427 F HN 0.091 nan 8.300 nan 0.000 0.471 428 D N -1.196 119.164 120.400 -0.067 0.000 2.500 428 D HA 0.200 4.839 4.640 -0.001 0.000 0.217 428 D C 1.416 177.669 176.300 -0.078 0.000 1.159 428 D CA 0.365 54.313 54.000 -0.086 0.000 0.828 428 D CB 0.470 41.197 40.800 -0.122 0.000 1.039 428 D HN 0.812 nan 8.370 nan 0.000 0.512 429 G N 0.820 109.538 108.800 -0.137 0.000 2.179 429 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.257 429 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.257 429 G C 0.840 175.779 174.900 0.065 0.000 1.010 429 G CA 0.938 46.043 45.100 0.009 0.000 0.736 429 G HN 0.483 nan 8.290 nan 0.000 0.513 430 K N -2.110 118.185 120.400 -0.174 0.000 2.567 430 K HA 0.162 4.481 4.320 -0.001 0.000 0.199 430 K C 2.214 178.789 176.600 -0.041 0.000 1.412 430 K CA 0.999 57.281 56.287 -0.008 0.000 1.020 430 K CB 0.403 32.887 32.500 -0.026 0.000 1.487 430 K HN 0.418 nan 8.250 nan 0.000 0.531 431 T N -2.497 111.863 114.554 -0.323 0.000 2.966 431 T HA 0.091 4.441 4.350 -0.001 0.000 0.254 431 T C 0.485 174.992 174.700 -0.323 0.000 0.961 431 T CA -0.030 61.951 62.100 -0.197 0.000 0.915 431 T CB 0.835 69.630 68.868 -0.122 0.000 1.186 431 T HN -0.019 nan 8.240 nan 0.000 0.505 432 T N 1.199 115.357 114.554 -0.659 0.000 2.921 432 T HA 0.672 5.021 4.350 -0.001 0.000 0.297 432 T C -2.036 172.388 174.700 -0.461 0.000 1.013 432 T CA -0.718 61.200 62.100 -0.304 0.000 0.990 432 T CB 0.747 69.587 68.868 -0.046 0.000 1.023 432 T HN 0.161 nan 8.240 nan 0.000 0.447 433 F N 4.076 124.181 119.950 0.259 0.000 2.577 433 F HA 0.652 5.178 4.527 -0.001 0.000 0.318 433 F C -2.172 173.400 175.800 -0.381 0.000 1.065 433 F CA -2.436 55.535 58.000 -0.047 0.000 0.929 433 F CB 1.142 40.109 39.000 -0.055 0.000 1.237 433 F HN 0.352 nan 8.300 nan 0.000 0.468 434 P HA 0.160 nan 4.420 nan 0.000 0.282 434 P C -0.817 176.333 177.300 -0.250 0.000 1.286 434 P CA -0.482 62.137 63.100 -0.803 0.000 0.777 434 P CB 0.647 31.853 31.700 -0.823 0.000 1.184 435 S N -0.018 115.576 115.700 -0.176 0.000 2.389 435 S HA 0.467 4.936 4.470 -0.001 0.000 0.201 435 S C -2.740 171.795 174.600 -0.107 0.000 1.422 435 S CA -1.635 56.515 58.200 -0.083 0.000 1.216 435 S CB -0.469 62.726 63.200 -0.008 0.000 1.130 435 S HN 0.113 nan 8.310 nan 0.000 0.465 436 P HA 0.342 nan 4.420 nan 0.000 0.274 436 P C -0.896 176.334 177.300 -0.118 0.000 1.256 436 P CA -0.465 62.558 63.100 -0.129 0.000 0.795 436 P CB 0.806 32.436 31.700 -0.116 0.000 1.038 437 S N 0.640 116.256 115.700 -0.140 0.000 2.647 437 S HA 0.291 4.760 4.470 -0.001 0.000 0.300 437 S C 0.546 175.068 174.600 -0.131 0.000 1.129 437 S CA -0.694 57.422 58.200 -0.139 0.000 1.029 437 S CB -0.151 62.928 63.200 -0.201 0.000 1.007 437 S HN 0.469 nan 8.310 nan 0.000 0.484 438 N N 5.560 124.206 118.700 -0.091 0.000 2.322 438 N HA 0.110 4.849 4.740 -0.001 0.000 0.194 438 N C 0.799 176.275 175.510 -0.056 0.000 1.126 438 N CA 0.124 53.140 53.050 -0.056 0.000 0.845 438 N CB -0.091 38.386 38.487 -0.017 0.000 0.976 438 N HN 0.615 nan 8.380 nan 0.000 0.475 439 L N -0.966 120.173 121.223 -0.139 0.000 2.577 439 L HA 0.212 4.551 4.340 -0.001 0.000 0.225 439 L C 0.509 177.206 176.870 -0.288 0.000 1.053 439 L CA 0.042 54.758 54.840 -0.207 0.000 0.866 439 L CB -0.044 41.868 42.059 -0.245 0.000 1.132 439 L HN 0.010 nan 8.230 nan 0.000 0.486 440 N N 1.141 119.628 118.700 -0.355 0.000 3.303 440 N HA 0.050 4.789 4.740 -0.001 0.000 0.304 440 N C -0.501 174.874 175.510 -0.225 0.000 1.302 440 N CA 0.290 53.132 53.050 -0.347 0.000 1.213 440 N CB 0.043 38.211 38.487 -0.532 0.000 1.481 440 N HN 0.016 nan 8.380 nan 0.000 0.546 441 T N -1.630 112.841 114.554 -0.139 0.000 2.883 441 T HA 0.298 4.647 4.350 -0.001 0.000 0.296 441 T C 1.010 175.710 174.700 -0.001 0.000 1.117 441 T CA -0.476 61.574 62.100 -0.082 0.000 1.006 441 T CB 1.095 69.926 68.868 -0.062 0.000 1.191 441 T HN 0.086 nan 8.240 nan 0.000 0.508 442 S N 1.196 116.915 115.700 0.031 0.000 2.370 442 S HA -0.062 4.407 4.470 -0.001 0.000 0.226 442 S C 1.974 176.715 174.600 0.234 0.000 1.033 442 S CA 1.546 59.862 58.200 0.192 0.000 1.011 442 S CB -0.482 62.762 63.200 0.072 0.000 0.852 442 S HN 0.810 nan 8.310 nan 0.000 0.457 443 A N 0.638 123.529 122.820 0.118 0.000 2.259 443 A HA 0.472 4.791 4.320 -0.001 0.000 0.208 443 A C 1.293 178.995 177.584 0.197 0.000 1.201 443 A CA 0.701 52.822 52.037 0.141 0.000 0.824 443 A CB -0.464 18.590 19.000 0.089 0.000 0.838 443 A HN 0.483 nan 8.150 nan 0.000 0.485 444 G N -0.896 107.976 108.800 0.119 0.000 3.365 444 G HA2 0.466 4.425 3.960 -0.001 0.000 0.185 444 G HA3 0.466 4.425 3.960 -0.001 0.000 0.185 444 G C -0.202 174.528 174.900 -0.283 0.000 1.565 444 G CA -0.012 45.059 45.100 -0.049 0.000 0.984 444 G HN 0.404 nan 8.290 nan 0.000 0.604 445 Q N -0.293 119.250 119.800 -0.428 0.000 2.268 445 Q HA 0.405 4.744 4.340 -0.001 0.000 0.266 445 Q C -1.641 174.345 176.000 -0.024 0.000 1.006 445 Q CA -0.883 54.771 55.803 -0.248 0.000 0.824 445 Q CB 1.647 30.086 28.738 -0.499 0.000 1.306 445 Q HN 0.905 nan 8.270 nan 0.000 0.424 446 H N 3.537 122.642 119.070 0.058 0.000 2.985 446 H HA 0.714 5.269 4.556 -0.002 0.000 0.360 446 H C -1.265 174.167 175.328 0.174 0.000 1.221 446 H CA -0.923 55.161 56.048 0.060 0.000 1.121 446 H CB 1.594 31.373 29.762 0.028 0.000 1.854 446 H HN 0.717 nan 8.280 nan 0.000 0.551 447 I N -1.601 118.873 120.570 -0.161 0.000 2.730 447 I HA 0.545 4.715 4.170 -0.001 0.000 0.298 447 I C -3.216 172.616 176.117 -0.474 0.000 1.089 447 I CA -2.897 58.104 61.300 -0.498 0.000 1.041 447 I CB 2.835 40.505 38.000 -0.550 0.000 1.235 447 I HN 0.185 nan 8.210 nan 0.000 0.423 448 P HA 0.206 nan 4.420 nan 0.000 0.276 448 P C 0.203 177.310 177.300 -0.320 0.000 1.235 448 P CA -0.317 62.498 63.100 -0.474 0.000 0.772 448 P CB 0.978 32.323 31.700 -0.592 0.000 0.871 449 R N 3.720 124.121 120.500 -0.164 0.000 2.105 449 R HA -0.126 4.213 4.340 -0.001 0.000 0.239 449 R C 1.435 177.663 176.300 -0.121 0.000 1.135 449 R CA 1.548 57.578 56.100 -0.117 0.000 0.967 449 R CB -0.639 29.656 30.300 -0.008 0.000 0.861 449 R HN 0.442 nan 8.270 nan 0.000 0.442 450 L N 0.319 121.491 121.223 -0.085 0.000 2.465 450 L HA -0.048 4.291 4.340 -0.001 0.000 0.224 450 L C 1.065 177.798 176.870 -0.229 0.000 1.145 450 L CA 0.840 55.647 54.840 -0.055 0.000 0.834 450 L CB 0.064 42.155 42.059 0.052 0.000 0.944 450 L HN 0.053 nan 8.230 nan 0.000 0.451 451 K N -0.447 119.713 120.400 -0.399 0.000 2.676 451 K HA 0.309 4.628 4.320 -0.001 0.000 0.205 451 K C 1.286 177.456 176.600 -0.716 0.000 1.084 451 K CA -0.028 55.848 56.287 -0.685 0.000 1.057 451 K CB 0.751 32.645 32.500 -1.010 0.000 0.791 451 K HN 0.186 nan 8.250 nan 0.000 0.484 452 I N 1.597 121.813 120.570 -0.591 0.000 2.179 452 I HA -0.202 3.967 4.170 -0.001 0.000 0.242 452 I C -0.853 174.862 176.117 -0.670 0.000 1.088 452 I CA 1.337 62.282 61.300 -0.591 0.000 1.357 452 I CB -1.071 36.685 38.000 -0.407 0.000 1.051 452 I HN 0.038 nan 8.210 nan 0.000 0.409 453 P HA -0.182 nan 4.420 nan 0.000 0.215 453 P C 1.260 178.230 177.300 -0.549 0.000 1.157 453 P CA 1.483 64.165 63.100 -0.697 0.000 0.874 453 P CB 0.039 31.255 31.700 -0.807 0.000 0.790 454 E N -1.210 118.641 120.200 -0.581 0.000 2.072 454 E HA -0.125 4.224 4.350 -0.001 0.000 0.191 454 E C 2.166 178.521 176.600 -0.408 0.000 0.985 454 E CA 0.981 57.089 56.400 -0.485 0.000 0.801 454 E CB -1.482 27.843 29.700 -0.625 0.000 0.750 454 E HN 0.214 nan 8.360 nan 0.000 0.452 455 C N 0.415 119.406 119.300 -0.515 0.000 2.413 455 C HA -0.103 4.356 4.460 -0.001 0.000 0.276 455 C C 2.555 177.356 174.990 -0.314 0.000 1.236 455 C CA 0.484 59.243 59.018 -0.432 0.000 1.735 455 C CB -0.883 26.342 27.740 -0.858 0.000 2.031 455 C HN 0.379 nan 8.230 nan 0.000 0.474 456 I N 0.306 120.617 120.570 -0.432 0.000 2.163 456 I HA -0.236 3.933 4.170 -0.001 0.000 0.240 456 I C 2.510 178.297 176.117 -0.549 0.000 1.081 456 I CA 1.751 62.810 61.300 -0.401 0.000 1.353 456 I CB -0.398 37.342 38.000 -0.434 0.000 1.054 456 I HN 0.351 nan 8.210 nan 0.000 0.407 457 M N -0.153 119.102 119.600 -0.574 0.000 2.349 457 M HA 0.007 4.486 4.480 -0.001 0.000 0.266 457 M C 2.111 178.179 176.300 -0.386 0.000 1.076 457 M CA 1.493 56.357 55.300 -0.728 0.000 1.126 457 M CB -0.433 31.960 32.600 -0.346 0.000 1.392 457 M HN 0.297 nan 8.290 nan 0.000 0.440 458 G N -0.854 107.812 108.800 -0.225 0.000 2.656 458 G HA2 0.276 4.235 3.960 -0.001 0.000 0.211 458 G HA3 0.276 4.235 3.960 -0.001 0.000 0.211 458 G C 1.190 176.092 174.900 0.002 0.000 1.137 458 G CA 0.569 45.627 45.100 -0.070 0.000 0.802 458 G HN 0.563 nan 8.290 nan 0.000 0.527 459 G N -0.635 108.180 108.800 0.026 0.000 2.148 459 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.254 459 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.254 459 G C 0.117 175.150 174.900 0.221 0.000 0.981 459 G CA 0.901 46.089 45.100 0.146 0.000 0.670 459 G HN 0.839 nan 8.290 nan 0.000 0.528 460 K N -1.371 119.202 120.400 0.287 0.000 2.572 460 K HA 0.679 4.998 4.320 -0.001 0.000 0.263 460 K C -2.032 174.857 176.600 0.481 0.000 0.932 460 K CA -0.958 55.531 56.287 0.338 0.000 0.838 460 K CB 1.386 33.987 32.500 0.167 0.000 1.366 460 K HN 0.351 nan 8.250 nan 0.000 0.425 461 F N 1.340 121.484 119.950 0.324 0.000 2.719 461 F HA 0.402 4.929 4.527 -0.001 0.000 0.309 461 F C -1.802 174.273 175.800 0.458 0.000 1.138 461 F CA -0.430 57.765 58.000 0.324 0.000 0.943 461 F CB 2.091 41.241 39.000 0.249 0.000 1.304 461 F HN 0.427 nan 8.300 nan 0.000 0.445 462 Q N 3.165 122.836 119.800 -0.215 0.000 2.289 462 Q HA 0.477 4.816 4.340 -0.001 0.000 0.270 462 Q C -1.897 174.091 176.000 -0.020 0.000 1.038 462 Q CA -0.385 55.381 55.803 -0.061 0.000 0.812 462 Q CB 2.789 31.463 28.738 -0.107 0.000 1.300 462 Q HN 0.794 nan 8.270 nan 0.000 0.427 463 W N 1.100 122.401 121.300 0.003 0.000 2.962 463 W HA 0.742 5.401 4.660 -0.001 0.000 0.405 463 W C -1.460 175.239 176.519 0.300 0.000 1.121 463 W CA -0.791 56.633 57.345 0.132 0.000 1.164 463 W CB 0.440 30.059 29.460 0.265 0.000 1.489 463 W HN 0.322 nan 8.180 nan 0.000 0.599 464 S N 1.209 117.233 115.700 0.541 0.000 2.454 464 S HA 0.717 5.186 4.470 -0.001 0.000 0.306 464 S C 0.077 175.140 174.600 0.773 0.000 1.100 464 S CA 0.176 58.687 58.200 0.519 0.000 1.087 464 S CB 0.799 64.287 63.200 0.481 0.000 1.019 464 S HN 1.589 nan 8.310 nan 0.000 0.480 465 G N 2.152 111.419 108.800 0.778 0.000 2.785 465 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.685 465 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.685 465 G C -0.817 174.429 174.900 0.578 0.000 1.480 465 G CA -0.639 44.912 45.100 0.753 0.000 0.915 465 G HN 0.751 nan 8.290 nan 0.000 0.576 466 K N 1.213 121.743 120.400 0.217 0.000 2.483 466 K HA 0.583 4.902 4.320 -0.001 0.000 0.256 466 K C 1.346 177.917 176.600 -0.048 0.000 0.961 466 K CA 0.522 56.685 56.287 -0.208 0.000 0.873 466 K CB 0.626 32.700 32.500 -0.711 0.000 1.107 466 K HN 2.382 nan 8.250 nan 0.000 0.432 467 G N 3.354 112.168 108.800 0.024 0.000 2.652 467 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.318 467 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.318 467 G C -0.462 174.602 174.900 0.272 0.000 1.295 467 G CA 0.169 45.316 45.100 0.079 0.000 0.999 467 G HN 0.540 nan 8.290 nan 0.000 0.548 468 F N 2.343 122.295 119.950 0.003 0.000 2.434 468 F HA 0.572 5.098 4.527 -0.002 0.000 0.358 468 F C 1.205 177.038 175.800 0.055 0.000 1.136 468 F CA -0.959 57.016 58.000 -0.043 0.000 1.157 468 F CB 0.485 39.440 39.000 -0.075 0.000 1.167 468 F HN 0.689 nan 8.300 nan 0.000 0.539 469 A N 2.734 125.750 122.820 0.326 0.000 3.168 469 A HA 0.482 4.802 4.320 -0.001 0.000 0.260 469 A C 1.490 179.100 177.584 0.044 0.000 1.598 469 A CA 0.141 52.293 52.037 0.192 0.000 1.285 469 A CB -0.950 18.130 19.000 0.133 0.000 1.149 469 A HN 0.834 nan 8.150 nan 0.000 0.630 470 G N -0.393 108.464 108.800 0.095 0.000 3.141 470 G HA2 0.265 4.225 3.960 -0.001 0.000 0.218 470 G HA3 0.265 4.225 3.960 -0.001 0.000 0.218 470 G C 1.080 176.033 174.900 0.088 0.000 1.170 470 G CA 0.726 45.841 45.100 0.025 0.000 0.769 470 G HN 0.662 nan 8.290 nan 0.000 0.546 471 G N -0.184 108.706 108.800 0.150 0.000 2.402 471 G HA2 0.131 4.090 3.960 -0.001 0.000 0.216 471 G HA3 0.131 4.090 3.960 -0.001 0.000 0.216 471 G C 0.305 175.069 174.900 -0.227 0.000 1.162 471 G CA 1.059 46.240 45.100 0.135 0.000 0.777 471 G HN 0.465 nan 8.290 nan 0.000 0.539 472 D N -3.109 116.905 120.400 -0.642 0.000 2.622 472 D HA 0.248 4.887 4.640 -0.001 0.000 0.255 472 D C 1.229 177.290 176.300 -0.398 0.000 1.246 472 D CA -0.775 52.905 54.000 -0.535 0.000 0.795 472 D CB 0.408 40.801 40.800 -0.679 0.000 1.369 472 D HN -0.105 nan 8.370 nan 0.000 0.425 473 I N 0.298 120.718 120.570 -0.250 0.000 2.248 473 I HA -0.238 3.931 4.170 -0.001 0.000 0.248 473 I C 1.486 177.500 176.117 -0.172 0.000 1.107 473 I CA 1.244 62.399 61.300 -0.242 0.000 1.373 473 I CB -0.138 37.773 38.000 -0.148 0.000 1.055 473 I HN 0.209 nan 8.210 nan 0.000 0.418 474 S N -1.583 114.069 115.700 -0.078 0.000 2.556 474 S HA 0.042 4.511 4.470 -0.001 0.000 0.216 474 S C 1.475 176.152 174.600 0.129 0.000 0.970 474 S CA -0.187 58.029 58.200 0.027 0.000 0.912 474 S CB -0.320 62.910 63.200 0.049 0.000 0.790 474 S HN 0.502 nan 8.310 nan 0.000 0.504 475 H N 2.244 121.318 119.070 0.006 0.000 2.387 475 H HA -0.155 4.400 4.556 -0.002 0.000 0.299 475 H C 2.424 177.825 175.328 0.121 0.000 1.099 475 H CA 1.440 57.522 56.048 0.057 0.000 1.315 475 H CB 0.028 29.815 29.762 0.041 0.000 1.380 475 H HN 0.579 nan 8.280 nan 0.000 0.513 476 Q N 1.082 120.994 119.800 0.186 0.000 2.437 476 Q HA -0.086 4.253 4.340 -0.001 0.000 0.210 476 Q C 1.644 177.819 176.000 0.292 0.000 0.972 476 Q CA 0.924 56.861 55.803 0.222 0.000 0.903 476 Q CB -0.103 28.633 28.738 -0.003 0.000 0.967 476 Q HN 0.515 nan 8.270 nan 0.000 0.486 477 L N 0.182 121.463 121.223 0.097 0.000 2.446 477 L HA 0.097 4.436 4.340 -0.001 0.000 0.219 477 L C 1.452 178.318 176.870 -0.007 0.000 1.116 477 L CA -0.225 54.524 54.840 -0.152 0.000 0.844 477 L CB -0.430 41.309 42.059 -0.533 0.000 0.970 477 L HN 0.370 nan 8.230 nan 0.000 0.457 478 H N 2.138 121.223 119.070 0.024 0.000 2.972 478 H HA 0.026 4.581 4.556 -0.002 0.000 0.343 478 H C -0.263 174.999 175.328 -0.111 0.000 1.054 478 H CA 0.374 56.376 56.048 -0.077 0.000 1.412 478 H CB 0.775 30.473 29.762 -0.107 0.000 1.385 478 H HN 0.086 nan 8.280 nan 0.000 0.600 479 Q N 4.475 123.931 119.800 -0.573 0.000 2.243 479 Q HA 0.224 4.563 4.340 -0.001 0.000 0.252 479 Q C -0.912 174.741 176.000 -0.578 0.000 0.909 479 Q CA -0.282 55.305 55.803 -0.359 0.000 0.922 479 Q CB 1.236 29.841 28.738 -0.220 0.000 1.215 479 Q HN 0.507 nan 8.270 nan 0.000 0.427 480 Y N -0.202 119.821 120.300 -0.462 0.000 2.605 480 Y HA 0.404 4.953 4.550 -0.001 0.000 0.343 480 Y C 0.303 175.629 175.900 -0.957 0.000 1.036 480 Y CA -0.954 56.734 58.100 -0.687 0.000 1.065 480 Y CB 1.963 39.873 38.460 -0.916 0.000 1.288 480 Y HN 0.547 nan 8.280 nan 0.000 0.481 481 E N 0.259 120.167 120.200 -0.487 0.000 2.429 481 E HA 0.534 4.883 4.350 -0.001 0.000 0.276 481 E C -2.230 174.451 176.600 0.136 0.000 0.953 481 E CA -1.119 55.156 56.400 -0.209 0.000 0.787 481 E CB 3.106 32.770 29.700 -0.059 0.000 1.307 481 E HN 0.564 nan 8.360 nan 0.000 0.458 482 Y N 1.351 121.806 120.300 0.259 0.000 2.421 482 Y HA 0.423 4.972 4.550 -0.001 0.000 0.339 482 Y C -2.826 173.183 175.900 0.182 0.000 0.996 482 Y CA -2.184 56.084 58.100 0.281 0.000 1.046 482 Y CB 2.196 40.890 38.460 0.390 0.000 1.226 482 Y HN 0.431 nan 8.280 nan 0.000 0.445 483 P HA 0.248 nan 4.420 nan 0.000 0.272 483 P C -0.888 176.388 177.300 -0.040 0.000 1.240 483 P CA -0.186 62.572 63.100 -0.569 0.000 0.791 483 P CB 1.049 32.455 31.700 -0.489 0.000 0.978 484 A N 2.528 125.428 122.820 0.135 0.000 2.371 484 A HA 0.418 4.737 4.320 -0.001 0.000 0.257 484 A C -2.122 175.606 177.584 0.241 0.000 1.089 484 A CA -1.621 50.556 52.037 0.234 0.000 0.794 484 A CB -1.357 17.835 19.000 0.321 0.000 1.029 484 A HN 0.384 nan 8.150 nan 0.000 0.488 485 P HA 0.119 nan 4.420 nan 0.000 0.255 485 P C 1.072 178.366 177.300 -0.011 0.000 1.161 485 P CA 2.326 65.463 63.100 0.063 0.000 0.768 485 P CB 0.220 31.948 31.700 0.047 0.000 0.746 486 G N 1.745 110.507 108.800 -0.064 0.000 2.253 486 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.251 486 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.251 486 G C -0.017 174.736 174.900 -0.245 0.000 0.998 486 G CA -0.354 44.634 45.100 -0.187 0.000 0.621 486 G HN 0.446 nan 8.290 nan 0.000 0.524 487 Y N 0.914 121.226 120.300 0.020 0.000 2.392 487 Y HA 0.664 5.214 4.550 -0.001 0.000 0.323 487 Y C 1.047 176.955 175.900 0.014 0.000 1.291 487 Y CA 0.136 58.257 58.100 0.034 0.000 1.345 487 Y CB 1.455 39.946 38.460 0.052 0.000 1.320 487 Y HN 0.159 nan 8.280 nan 0.000 0.518 488 S N 0.662 116.510 115.700 0.247 0.000 2.617 488 S HA 0.365 4.834 4.470 -0.001 0.000 0.283 488 S C -0.499 174.144 174.600 0.072 0.000 1.189 488 S CA -0.896 57.386 58.200 0.137 0.000 1.036 488 S CB 0.456 63.775 63.200 0.198 0.000 1.014 488 S HN 0.546 nan 8.310 nan 0.000 0.522 489 K N 1.952 122.339 120.400 -0.022 0.000 2.230 489 K HA 0.254 4.573 4.320 -0.001 0.000 0.253 489 K C -0.085 176.575 176.600 0.100 0.000 1.008 489 K CA -0.536 55.750 56.287 -0.000 0.000 0.910 489 K CB 0.226 32.701 32.500 -0.043 0.000 0.994 489 K HN 0.480 nan 8.250 nan 0.000 0.495 490 I N 2.788 123.479 120.570 0.202 0.000 2.556 490 I HA -0.049 4.120 4.170 -0.001 0.000 0.284 490 I C 1.178 177.308 176.117 0.022 0.000 1.114 490 I CA 0.629 61.982 61.300 0.087 0.000 1.418 490 I CB 0.645 38.637 38.000 -0.013 0.000 1.394 490 I HN 0.592 nan 8.210 nan 0.000 0.552 491 K N 4.814 125.238 120.400 0.039 0.000 2.436 491 K HA 0.315 4.634 4.320 -0.001 0.000 0.198 491 K C 0.248 176.945 176.600 0.161 0.000 1.174 491 K CA 0.398 56.709 56.287 0.040 0.000 0.951 491 K CB 0.925 33.407 32.500 -0.030 0.000 1.040 491 K HN 0.545 nan 8.250 nan 0.000 0.536 492 M N -0.026 119.699 119.600 0.208 0.000 2.591 492 M HA 0.420 4.900 4.480 -0.001 0.000 0.306 492 M C -1.740 174.760 176.300 0.333 0.000 1.190 492 M CA -0.737 54.748 55.300 0.308 0.000 0.889 492 M CB 2.286 35.117 32.600 0.385 0.000 1.728 492 M HN -0.039 nan 8.290 nan 0.000 0.458 493 F N 4.534 124.569 119.950 0.141 0.000 2.577 493 F HA 0.357 4.883 4.527 -0.001 0.000 0.344 493 F C -1.793 174.110 175.800 0.171 0.000 1.145 493 F CA -0.692 57.391 58.000 0.138 0.000 0.996 493 F CB 1.100 40.133 39.000 0.055 0.000 1.248 493 F HN 0.664 nan 8.300 nan 0.000 0.447 494 W N 8.983 130.509 121.300 0.378 0.000 2.295 494 W HA 0.347 5.006 4.660 -0.002 0.000 0.333 494 W C -1.103 175.456 176.519 0.068 0.000 0.990 494 W CA -1.014 56.414 57.345 0.138 0.000 1.453 494 W CB 0.881 30.456 29.460 0.192 0.000 1.263 494 W HN 0.477 nan 8.180 nan 0.000 0.380 495 K N 4.262 124.738 120.400 0.127 0.000 2.205 495 K HA 0.096 4.415 4.320 -0.001 0.000 0.279 495 K C -1.257 175.470 176.600 0.212 0.000 1.027 495 K CA -0.684 55.587 56.287 -0.026 0.000 0.932 495 K CB 1.804 34.061 32.500 -0.404 0.000 1.032 495 K HN 0.284 nan 8.250 nan 0.000 0.466 496 Y N 1.931 122.236 120.300 0.009 0.000 2.478 496 Y HA 0.309 4.858 4.550 -0.001 0.000 0.329 496 Y C 0.323 176.148 175.900 -0.126 0.000 0.967 496 Y CA 0.593 58.674 58.100 -0.032 0.000 1.255 496 Y CB 0.588 38.950 38.460 -0.163 0.000 1.103 496 Y HN 0.950 nan 8.280 nan 0.000 0.497 497 G N 2.874 111.571 108.800 -0.171 0.000 2.728 497 G HA2 0.227 4.186 3.960 -0.001 0.000 0.294 497 G HA3 0.227 4.186 3.960 -0.001 0.000 0.294 497 G C -0.143 174.639 174.900 -0.197 0.000 1.342 497 G CA -0.368 44.629 45.100 -0.171 0.000 0.866 497 G HN 1.517 nan 8.290 nan 0.000 0.534 498 G N -1.359 107.311 108.800 -0.216 0.000 4.377 498 G HA2 0.710 4.669 3.960 -0.001 0.000 0.251 498 G HA3 0.710 4.669 3.960 -0.001 0.000 0.251 498 G C -1.480 173.267 174.900 -0.255 0.000 2.912 498 G CA 0.822 45.757 45.100 -0.276 0.000 0.606 498 G HN 0.800 nan 8.290 nan 0.000 0.282 499 P HA 0.080 nan 4.420 nan 0.000 0.272 499 P C 0.974 178.165 177.300 -0.182 0.000 1.276 499 P CA 0.214 63.191 63.100 -0.205 0.000 0.871 499 P CB 0.366 31.976 31.700 -0.150 0.000 1.313 500 H N 0.508 119.403 119.070 -0.292 0.000 2.437 500 H HA -0.113 4.442 4.556 -0.001 0.000 0.296 500 H C 1.896 176.895 175.328 -0.548 0.000 1.121 500 H CA 0.747 56.498 56.048 -0.496 0.000 1.255 500 H CB -0.452 28.931 29.762 -0.632 0.000 1.366 500 H HN 0.096 nan 8.280 nan 0.000 0.512 501 L N -0.320 120.728 121.223 -0.293 0.000 2.275 501 L HA -0.089 4.251 4.340 -0.001 0.000 0.215 501 L C 2.577 179.269 176.870 -0.296 0.000 1.119 501 L CA 0.973 55.604 54.840 -0.348 0.000 0.790 501 L CB -0.046 41.732 42.059 -0.468 0.000 0.919 501 L HN 0.351 nan 8.230 nan 0.000 0.443 502 G N -1.726 106.921 108.800 -0.255 0.000 2.921 502 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.213 502 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.213 502 G C 1.379 176.145 174.900 -0.225 0.000 1.143 502 G CA 0.800 45.752 45.100 -0.246 0.000 0.764 502 G HN 0.384 nan 8.290 nan 0.000 0.542 503 T N -3.033 111.381 114.554 -0.234 0.000 3.003 503 T HA 0.398 4.747 4.350 -0.001 0.000 0.261 503 T C 1.352 175.896 174.700 -0.259 0.000 1.003 503 T CA -0.241 61.719 62.100 -0.233 0.000 0.917 503 T CB 0.316 69.041 68.868 -0.238 0.000 1.084 503 T HN -0.096 nan 8.240 nan 0.000 0.522 504 M N 2.814 122.210 119.600 -0.339 0.000 2.312 504 M HA 0.469 4.948 4.480 -0.001 0.000 0.214 504 M C 0.520 176.704 176.300 -0.194 0.000 0.803 504 M CA -0.127 54.969 55.300 -0.340 0.000 1.831 504 M CB 0.065 32.265 32.600 -0.668 0.000 1.114 504 M HN 0.313 nan 8.290 nan 0.000 0.892 505 T N -2.187 112.300 114.554 -0.111 0.000 2.887 505 T HA 0.704 5.053 4.350 -0.001 0.000 0.288 505 T C 0.099 174.785 174.700 -0.023 0.000 1.021 505 T CA -0.337 61.733 62.100 -0.050 0.000 1.000 505 T CB 1.506 70.366 68.868 -0.013 0.000 1.034 505 T HN 0.883 nan 8.240 nan 0.000 0.467 506 A N 1.964 124.754 122.820 -0.049 0.000 2.462 506 A HA -0.192 4.127 4.320 -0.001 0.000 0.294 506 A C 1.598 179.161 177.584 -0.035 0.000 1.461 506 A CA 1.194 53.196 52.037 -0.059 0.000 0.765 506 A CB -2.576 16.392 19.000 -0.054 0.000 1.071 506 A HN 1.914 nan 8.150 nan 0.000 0.401 507 T N -1.797 112.726 114.554 -0.051 0.000 3.026 507 T HA -0.204 4.145 4.350 -0.001 0.000 0.271 507 T C 1.415 176.094 174.700 -0.034 0.000 1.149 507 T CA 1.330 63.420 62.100 -0.016 0.000 1.088 507 T CB -0.452 68.310 68.868 -0.177 0.000 0.857 507 T HN 0.620 nan 8.240 nan 0.000 0.551 508 N N 2.202 120.861 118.700 -0.068 0.000 2.272 508 N HA -0.118 4.621 4.740 -0.001 0.000 0.185 508 N C 2.111 177.603 175.510 -0.031 0.000 1.014 508 N CA 1.421 54.441 53.050 -0.049 0.000 0.870 508 N CB -0.336 38.133 38.487 -0.029 0.000 0.975 508 N HN 0.775 nan 8.380 nan 0.000 0.433 509 R N -0.593 119.880 120.500 -0.046 0.000 2.148 509 R HA -0.099 4.240 4.340 -0.001 0.000 0.227 509 R C 1.331 177.508 176.300 -0.205 0.000 1.103 509 R CA 1.032 57.055 56.100 -0.128 0.000 0.983 509 R CB -0.770 29.409 30.300 -0.202 0.000 0.874 509 R HN 0.234 nan 8.270 nan 0.000 0.451 510 Y N 1.429 121.611 120.300 -0.197 0.000 2.314 510 Y HA 0.045 4.594 4.550 -0.001 0.000 0.293 510 Y C 2.822 178.586 175.900 -0.226 0.000 1.129 510 Y CA 1.170 59.144 58.100 -0.211 0.000 1.201 510 Y CB -0.216 38.148 38.460 -0.160 0.000 0.999 510 Y HN 0.233 nan 8.280 nan 0.000 0.541 511 A N 0.287 123.048 122.820 -0.097 0.000 1.898 511 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 511 A C 2.112 179.656 177.584 -0.067 0.000 1.181 511 A CA 1.545 53.454 52.037 -0.212 0.000 0.620 511 A CB -0.423 18.548 19.000 -0.048 0.000 0.819 511 A HN 0.366 nan 8.150 nan 0.000 0.442 512 K N -0.193 120.195 120.400 -0.021 0.000 2.283 512 K HA -0.107 4.213 4.320 -0.001 0.000 0.202 512 K C 2.015 178.608 176.600 -0.012 0.000 1.048 512 K CA 1.519 57.818 56.287 0.020 0.000 0.948 512 K CB -0.350 32.153 32.500 0.004 0.000 0.742 512 K HN 0.834 nan 8.250 nan 0.000 0.458 513 M N -1.728 117.788 119.600 -0.139 0.000 2.419 513 M HA -0.040 4.439 4.480 -0.001 0.000 0.264 513 M C 1.143 177.356 176.300 -0.144 0.000 1.082 513 M CA 1.424 56.601 55.300 -0.204 0.000 1.119 513 M CB -0.476 31.881 32.600 -0.406 0.000 1.398 513 M HN -0.066 nan 8.290 nan 0.000 0.453 514 Y N 2.430 122.693 120.300 -0.061 0.000 2.421 514 Y HA -0.084 4.465 4.550 -0.001 0.000 0.292 514 Y C 2.385 178.357 175.900 0.121 0.000 1.136 514 Y CA 1.712 59.830 58.100 0.029 0.000 1.255 514 Y CB -0.372 38.074 38.460 -0.024 0.000 0.991 514 Y HN 0.503 nan 8.280 nan 0.000 0.552 515 T N -3.168 111.537 114.554 0.251 0.000 3.186 515 T HA 0.025 4.375 4.350 -0.001 0.000 0.257 515 T C 0.191 174.976 174.700 0.143 0.000 1.029 515 T CA -0.257 61.965 62.100 0.203 0.000 0.916 515 T CB -0.510 68.471 68.868 0.188 0.000 1.041 515 T HN 0.196 nan 8.240 nan 0.000 0.562 516 H N 2.929 122.033 119.070 0.057 0.000 2.690 516 H HA 0.130 4.685 4.556 -0.002 0.000 0.314 516 H C 0.512 175.870 175.328 0.050 0.000 1.069 516 H CA 0.071 56.137 56.048 0.029 0.000 1.436 516 H CB 1.285 31.035 29.762 -0.020 0.000 1.462 516 H HN 0.332 nan 8.280 nan 0.000 0.511 517 D N 2.340 122.598 120.400 -0.237 0.000 2.384 517 D HA -0.190 4.449 4.640 -0.001 0.000 0.222 517 D C 1.579 177.914 176.300 0.057 0.000 0.976 517 D CA 1.007 54.973 54.000 -0.057 0.000 0.915 517 D CB -0.149 40.597 40.800 -0.089 0.000 0.896 517 D HN 0.424 nan 8.370 nan 0.000 0.523 518 S N -0.223 115.603 115.700 0.210 0.000 2.428 518 S HA -0.054 4.415 4.470 -0.001 0.000 0.230 518 S C 1.153 175.848 174.600 0.158 0.000 1.014 518 S CA -0.208 58.129 58.200 0.229 0.000 0.957 518 S CB -0.611 62.788 63.200 0.332 0.000 0.784 518 S HN 0.281 nan 8.310 nan 0.000 0.499 519 L N 2.475 123.806 121.223 0.180 0.000 2.363 519 L HA 0.236 4.575 4.340 -0.001 0.000 0.286 519 L C 0.983 177.970 176.870 0.194 0.000 1.106 519 L CA -0.134 54.800 54.840 0.157 0.000 0.859 519 L CB 0.564 42.713 42.059 0.149 0.000 1.223 519 L HN 0.394 nan 8.230 nan 0.000 0.446 520 E N 3.205 123.534 120.200 0.215 0.000 2.371 520 E HA 0.012 4.361 4.350 -0.001 0.000 0.194 520 E C -0.489 176.363 176.600 0.420 0.000 1.012 520 E CA 0.453 57.020 56.400 0.279 0.000 0.860 520 E CB 0.484 30.331 29.700 0.246 0.000 0.811 520 E HN 0.322 nan 8.360 nan 0.000 0.502 521 F N 0.129 120.167 119.950 0.146 0.000 2.654 521 F HA 0.271 4.797 4.527 -0.001 0.000 0.314 521 F C -1.890 173.952 175.800 0.070 0.000 1.116 521 F CA -1.132 56.909 58.000 0.067 0.000 1.017 521 F CB 1.360 40.431 39.000 0.119 0.000 1.285 521 F HN -0.399 nan 8.300 nan 0.000 0.448 522 V N 5.922 125.431 119.914 -0.675 0.000 2.531 522 V HA 0.685 4.804 4.120 -0.001 0.000 0.301 522 V C -1.000 174.571 176.094 -0.872 0.000 1.034 522 V CA -0.855 61.133 62.300 -0.521 0.000 0.865 522 V CB 1.681 33.433 31.823 -0.119 0.000 0.995 522 V HN 0.622 nan 8.190 nan 0.000 0.424 523 V N 3.082 122.581 119.914 -0.692 0.000 2.555 523 V HA 0.625 4.745 4.120 -0.001 0.000 0.302 523 V C 0.001 175.879 176.094 -0.360 0.000 1.038 523 V CA -0.353 61.567 62.300 -0.634 0.000 0.887 523 V CB 2.069 33.381 31.823 -0.852 0.000 0.991 523 V HN 0.842 nan 8.190 nan 0.000 0.434 524 S N 3.462 118.998 115.700 -0.273 0.000 2.596 524 S HA 0.425 4.894 4.470 -0.001 0.000 0.318 524 S C -0.647 173.885 174.600 -0.114 0.000 1.097 524 S CA -0.525 57.572 58.200 -0.172 0.000 1.080 524 S CB 1.073 64.150 63.200 -0.205 0.000 0.991 524 S HN 0.818 nan 8.310 nan 0.000 0.471 525 Q N 3.837 123.630 119.800 -0.012 0.000 2.506 525 Q HA 0.557 4.896 4.340 -0.001 0.000 0.242 525 Q C -0.956 174.893 176.000 -0.253 0.000 1.060 525 Q CA -0.239 55.546 55.803 -0.030 0.000 0.826 525 Q CB 0.477 29.355 28.738 0.232 0.000 1.169 525 Q HN 0.668 nan 8.270 nan 0.000 0.521 526 S N 2.404 117.956 115.700 -0.246 0.000 2.811 526 S HA 0.531 5.001 4.470 -0.001 0.000 0.311 526 S C 0.547 174.951 174.600 -0.327 0.000 1.152 526 S CA -0.688 57.331 58.200 -0.301 0.000 0.864 526 S CB 0.996 64.065 63.200 -0.218 0.000 1.226 526 S HN 0.647 nan 8.310 nan 0.000 0.541 527 I N -0.703 119.621 120.570 -0.410 0.000 3.194 527 I HA 0.223 4.392 4.170 -0.001 0.000 0.271 527 I C -0.224 175.471 176.117 -0.703 0.000 1.150 527 I CA 0.472 61.344 61.300 -0.714 0.000 1.440 527 I CB 0.319 37.543 38.000 -1.294 0.000 1.276 527 I HN 0.321 nan 8.210 nan 0.000 0.457 528 W N 0.218 121.457 121.300 -0.102 0.000 2.689 528 W HA 0.289 4.948 4.660 -0.001 0.000 0.340 528 W C -0.768 175.697 176.519 -0.091 0.000 1.060 528 W CA -1.090 56.214 57.345 -0.069 0.000 1.218 528 W CB 1.186 30.601 29.460 -0.076 0.000 1.410 528 W HN -0.190 nan 8.180 nan 0.000 0.528 529 F N 4.373 124.304 119.950 -0.031 0.000 2.541 529 F HA 0.134 4.660 4.527 -0.002 0.000 0.347 529 F C 0.310 175.971 175.800 -0.232 0.000 1.242 529 F CA 0.236 58.051 58.000 -0.309 0.000 1.123 529 F CB -0.321 38.274 39.000 -0.676 0.000 1.354 529 F HN 0.353 nan 8.300 nan 0.000 0.621 530 E N 2.174 122.116 120.200 -0.430 0.000 2.449 530 E HA 0.636 4.985 4.350 -0.001 0.000 0.278 530 E C 0.516 176.931 176.600 -0.307 0.000 1.059 530 E CA -0.831 55.359 56.400 -0.351 0.000 0.854 530 E CB 0.373 29.985 29.700 -0.147 0.000 1.465 530 E HN 0.545 nan 8.360 nan 0.000 0.462 531 G N 1.209 109.894 108.800 -0.191 0.000 2.672 531 G HA2 -0.447 3.512 3.960 -0.001 0.000 0.332 531 G HA3 -0.447 3.512 3.960 -0.001 0.000 0.332 531 G C 0.663 175.518 174.900 -0.074 0.000 1.213 531 G CA 0.983 46.015 45.100 -0.114 0.000 0.980 531 G HN 0.690 nan 8.290 nan 0.000 0.548 532 E N 0.369 120.499 120.200 -0.116 0.000 2.447 532 E HA 0.264 4.613 4.350 -0.001 0.000 0.195 532 E C 2.589 179.098 176.600 -0.151 0.000 1.028 532 E CA 0.453 56.815 56.400 -0.063 0.000 0.876 532 E CB 0.234 29.861 29.700 -0.122 0.000 0.885 532 E HN 0.320 nan 8.360 nan 0.000 0.500 533 V N 1.676 121.422 119.914 -0.280 0.000 2.380 533 V HA -0.196 3.923 4.120 -0.001 0.000 0.251 533 V C -1.037 174.803 176.094 -0.424 0.000 1.063 533 V CA 1.632 63.714 62.300 -0.363 0.000 1.055 533 V CB -1.333 30.236 31.823 -0.423 0.000 0.657 533 V HN 0.196 nan 8.190 nan 0.000 0.455 534 P HA 0.008 nan 4.420 nan 0.000 0.259 534 P C 0.654 177.746 177.300 -0.346 0.000 1.307 534 P CA 1.029 63.841 63.100 -0.479 0.000 0.768 534 P CB -0.328 30.956 31.700 -0.693 0.000 1.199 535 F N -1.260 118.514 119.950 -0.294 0.000 2.724 535 F HA 0.334 4.860 4.527 -0.001 0.000 0.306 535 F C 1.527 177.185 175.800 -0.236 0.000 1.100 535 F CA -0.348 57.423 58.000 -0.382 0.000 1.255 535 F CB -0.120 38.214 39.000 -1.110 0.000 1.072 535 F HN -0.206 nan 8.300 nan 0.000 0.589 536 A N 0.267 123.079 122.820 -0.014 0.000 2.346 536 A HA 0.155 4.474 4.320 -0.001 0.000 0.252 536 A C 0.841 178.433 177.584 0.013 0.000 1.089 536 A CA -0.052 51.955 52.037 -0.050 0.000 0.797 536 A CB 0.174 19.087 19.000 -0.144 0.000 1.047 536 A HN 0.200 nan 8.150 nan 0.000 0.494 537 D N -0.644 119.620 120.400 -0.227 0.000 2.277 537 D HA 0.144 4.783 4.640 -0.001 0.000 0.209 537 D C 0.081 176.310 176.300 -0.119 0.000 0.970 537 D CA 1.059 54.849 54.000 -0.349 0.000 0.874 537 D CB 0.250 40.449 40.800 -1.003 0.000 0.982 537 D HN 0.295 nan 8.370 nan 0.000 0.504 538 I N 1.439 121.905 120.570 -0.174 0.000 2.533 538 I HA 0.337 4.506 4.170 -0.001 0.000 0.290 538 I C -0.518 175.518 176.117 -0.135 0.000 1.056 538 I CA -0.581 60.686 61.300 -0.055 0.000 1.057 538 I CB 2.345 40.353 38.000 0.013 0.000 1.240 538 I HN -0.235 nan 8.210 nan 0.000 0.423 539 I N 6.482 126.983 120.570 -0.116 0.000 2.406 539 I HA 0.426 4.595 4.170 -0.001 0.000 0.290 539 I C -0.601 175.392 176.117 -0.206 0.000 0.999 539 I CA -0.616 60.575 61.300 -0.183 0.000 1.124 539 I CB 1.937 39.792 38.000 -0.242 0.000 1.289 539 I HN 0.224 nan 8.210 nan 0.000 0.441 540 L N 7.879 128.994 121.223 -0.179 0.000 2.296 540 L HA 0.491 4.830 4.340 -0.001 0.000 0.286 540 L C -2.505 174.303 176.870 -0.104 0.000 1.023 540 L CA -1.886 52.843 54.840 -0.184 0.000 0.812 540 L CB 1.583 43.654 42.059 0.021 0.000 1.223 540 L HN 0.255 nan 8.230 nan 0.000 0.421 541 P HA 0.227 nan 4.420 nan 0.000 0.286 541 P C -0.851 176.503 177.300 0.090 0.000 1.321 541 P CA -0.150 62.946 63.100 -0.008 0.000 0.790 541 P CB 1.215 32.924 31.700 0.015 0.000 0.897 542 A N 3.292 126.058 122.820 -0.091 0.000 2.312 542 A HA 0.606 4.925 4.320 -0.001 0.000 0.328 542 A C 0.443 177.918 177.584 -0.181 0.000 1.158 542 A CA -0.469 51.492 52.037 -0.128 0.000 0.821 542 A CB 0.412 19.259 19.000 -0.255 0.000 1.170 542 A HN 0.711 nan 8.150 nan 0.000 0.490 543 C N 0.951 120.181 119.300 -0.116 0.000 2.335 543 C HA 0.874 5.333 4.460 -0.001 0.000 0.363 543 C C 0.991 175.918 174.990 -0.106 0.000 1.198 543 C CA 0.065 59.017 59.018 -0.110 0.000 2.279 543 C CB 0.372 28.096 27.740 -0.027 0.000 2.334 543 C HN 1.127 nan 8.230 nan 0.000 0.559 544 T N 0.060 114.582 114.554 -0.053 0.000 2.788 544 T HA 0.200 4.549 4.350 -0.001 0.000 0.287 544 T C 1.156 175.946 174.700 0.150 0.000 1.007 544 T CA 0.090 62.248 62.100 0.098 0.000 1.005 544 T CB 0.406 69.458 68.868 0.307 0.000 1.012 544 T HN 0.920 nan 8.240 nan 0.000 0.530 545 N N -0.115 118.696 118.700 0.186 0.000 2.571 545 N HA -0.071 4.668 4.740 -0.001 0.000 0.189 545 N C 0.671 176.144 175.510 -0.062 0.000 1.154 545 N CA 0.512 53.596 53.050 0.056 0.000 0.907 545 N CB -0.450 38.047 38.487 0.017 0.000 0.977 545 N HN 0.623 nan 8.380 nan 0.000 0.449 546 F N 0.790 120.770 119.950 0.050 0.000 2.765 546 F HA 0.236 4.762 4.527 -0.001 0.000 0.302 546 F C 1.133 176.899 175.800 -0.058 0.000 1.111 546 F CA 0.142 58.145 58.000 0.004 0.000 1.359 546 F CB 0.404 39.440 39.000 0.059 0.000 1.097 546 F HN 0.057 nan 8.300 nan 0.000 0.577 547 E N 0.231 120.482 120.200 0.085 0.000 2.624 547 E HA 0.176 4.526 4.350 -0.001 0.000 0.210 547 E C 0.182 176.757 176.600 -0.042 0.000 0.997 547 E CA -0.213 56.195 56.400 0.013 0.000 0.999 547 E CB 0.517 30.239 29.700 0.037 0.000 1.040 547 E HN 0.325 nan 8.360 nan 0.000 0.469 548 R N -0.870 119.579 120.500 -0.085 0.000 2.752 548 R HA 0.476 4.815 4.340 -0.001 0.000 0.271 548 R C -1.592 174.636 176.300 -0.120 0.000 1.026 548 R CA -1.019 55.050 56.100 -0.052 0.000 0.901 548 R CB 0.646 30.996 30.300 0.082 0.000 1.243 548 R HN -0.126 nan 8.270 nan 0.000 0.463 549 W N 0.547 121.915 121.300 0.113 0.000 2.381 549 W HA 0.529 5.188 4.660 -0.001 0.000 0.329 549 W C 0.144 176.736 176.519 0.122 0.000 1.157 549 W CA 0.522 57.952 57.345 0.140 0.000 1.240 549 W CB 1.081 30.662 29.460 0.201 0.000 1.199 549 W HN 0.524 nan 8.180 nan 0.000 0.579 550 D N 0.433 121.061 120.400 0.380 0.000 2.970 550 D HA 0.514 5.154 4.640 -0.001 0.000 0.344 550 D C -1.772 174.701 176.300 0.288 0.000 1.365 550 D CA -0.624 53.522 54.000 0.243 0.000 0.910 550 D CB 1.666 42.541 40.800 0.124 0.000 1.445 550 D HN 0.366 nan 8.370 nan 0.000 0.532 551 I N 0.144 120.825 120.570 0.185 0.000 2.908 551 I HA 0.535 4.705 4.170 -0.001 0.000 0.300 551 I C -1.617 174.613 176.117 0.189 0.000 1.385 551 I CA -0.002 61.475 61.300 0.295 0.000 1.004 551 I CB 1.652 39.925 38.000 0.454 0.000 1.309 551 I HN 0.629 nan 8.210 nan 0.000 0.449 552 S N 3.925 119.803 115.700 0.296 0.000 2.656 552 S HA 0.451 4.920 4.470 -0.001 0.000 0.265 552 S C -1.577 173.198 174.600 0.292 0.000 1.132 552 S CA -0.914 57.447 58.200 0.269 0.000 0.819 552 S CB 1.708 64.925 63.200 0.029 0.000 1.119 552 S HN 0.807 nan 8.310 nan 0.000 0.476 553 E N -0.012 120.412 120.200 0.373 0.000 2.256 553 E HA 0.499 4.848 4.350 -0.001 0.000 0.267 553 E C -1.281 175.688 176.600 0.614 0.000 0.892 553 E CA -0.961 55.641 56.400 0.336 0.000 0.775 553 E CB 1.031 30.883 29.700 0.255 0.000 1.207 553 E HN 0.536 nan 8.360 nan 0.000 0.420 554 F N 3.396 123.529 119.950 0.306 0.000 2.506 554 F HA 0.062 4.588 4.527 -0.001 0.000 0.387 554 F C 0.874 176.865 175.800 0.319 0.000 1.053 554 F CA 0.917 59.067 58.000 0.251 0.000 1.083 554 F CB -0.930 38.175 39.000 0.176 0.000 1.010 554 F HN 0.712 nan 8.300 nan 0.000 0.551 555 A N 3.764 127.027 122.820 0.739 0.000 2.829 555 A HA -0.329 3.990 4.320 -0.001 0.000 0.267 555 A C 0.764 178.768 177.584 0.700 0.000 1.370 555 A CA 1.025 53.419 52.037 0.596 0.000 0.900 555 A CB -2.621 16.587 19.000 0.346 0.000 1.044 555 A HN 0.773 nan 8.150 nan 0.000 0.691 556 N N -0.328 118.806 118.700 0.723 0.000 2.402 556 N HA 0.312 5.051 4.740 -0.001 0.000 0.252 556 N C 0.860 176.473 175.510 0.172 0.000 1.118 556 N CA 0.341 53.659 53.050 0.447 0.000 0.945 556 N CB 0.519 39.266 38.487 0.433 0.000 1.147 556 N HN 0.653 nan 8.380 nan 0.000 0.495 557 C N 2.748 122.063 119.300 0.025 0.000 2.543 557 C HA 0.279 4.738 4.460 -0.001 0.000 0.289 557 C C 1.458 176.116 174.990 -0.552 0.000 1.368 557 C CA 1.182 59.867 59.018 -0.556 0.000 1.778 557 C CB -0.942 26.754 27.740 -0.074 0.000 2.155 557 C HN 0.891 nan 8.230 nan 0.000 0.529 558 S N -1.009 114.505 115.700 -0.310 0.000 3.426 558 S HA 0.063 4.532 4.470 -0.001 0.000 0.630 558 S C 1.202 175.455 174.600 -0.579 0.000 2.670 558 S CA 2.369 60.329 58.200 -0.399 0.000 3.374 558 S CB -1.709 61.359 63.200 -0.221 0.000 0.296 558 S HN 2.609 nan 8.310 nan 0.000 1.445 559 G N 0.730 109.133 108.800 -0.661 0.000 2.815 559 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.326 559 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.326 559 G C 0.611 175.195 174.900 -0.527 0.000 1.191 559 G CA 1.488 46.234 45.100 -0.590 0.000 0.965 559 G HN 2.044 nan 8.290 nan 0.000 0.564 560 Y N 0.872 121.140 120.300 -0.053 0.000 2.471 560 Y HA 0.718 5.267 4.550 -0.002 0.000 0.286 560 Y C 1.299 177.163 175.900 -0.060 0.000 1.188 560 Y CA -0.353 57.721 58.100 -0.043 0.000 1.286 560 Y CB -0.175 38.268 38.460 -0.029 0.000 1.072 560 Y HN 0.376 nan 8.280 nan 0.000 0.517 561 I N 1.533 122.078 120.570 -0.042 0.000 2.901 561 I HA 0.286 4.455 4.170 -0.001 0.000 0.289 561 I C -2.901 172.975 176.117 -0.402 0.000 1.553 561 I CA -1.933 59.283 61.300 -0.141 0.000 0.829 561 I CB 1.161 39.145 38.000 -0.027 0.000 1.840 561 I HN -0.208 nan 8.210 nan 0.000 0.606 562 P HA -0.075 nan 4.420 nan 0.000 0.261 562 P C -0.216 176.741 177.300 -0.572 0.000 1.165 562 P CA 0.704 63.274 63.100 -0.884 0.000 0.759 562 P CB 0.222 31.283 31.700 -1.065 0.000 0.772 563 D N 1.666 121.802 120.400 -0.441 0.000 2.697 563 D HA -0.218 4.421 4.640 -0.001 0.000 0.235 563 D C 0.510 176.249 176.300 -0.936 0.000 1.167 563 D CA 1.079 54.657 54.000 -0.702 0.000 0.656 563 D CB -1.597 38.883 40.800 -0.533 0.000 1.025 563 D HN 0.657 nan 8.370 nan 0.000 0.419 564 N N -0.773 117.596 118.700 -0.552 0.000 2.461 564 N HA -0.124 4.615 4.740 -0.001 0.000 0.188 564 N C 1.683 177.045 175.510 -0.248 0.000 1.134 564 N CA -0.019 52.797 53.050 -0.389 0.000 0.878 564 N CB -0.321 38.038 38.487 -0.214 0.000 0.972 564 N HN 0.561 nan 8.380 nan 0.000 0.456 565 Y N -0.063 120.253 120.300 0.026 0.000 2.574 565 Y HA -0.050 4.499 4.550 -0.002 0.000 0.294 565 Y C 1.918 177.829 175.900 0.018 0.000 1.142 565 Y CA 0.115 58.254 58.100 0.064 0.000 1.314 565 Y CB -0.651 37.898 38.460 0.149 0.000 0.991 565 Y HN 0.279 nan 8.280 nan 0.000 0.555 566 Q N 1.023 120.751 119.800 -0.120 0.000 2.541 566 Q HA -0.027 4.312 4.340 -0.001 0.000 0.215 566 Q C 1.340 177.322 176.000 -0.030 0.000 0.977 566 Q CA 0.916 56.728 55.803 0.016 0.000 0.934 566 Q CB -0.446 28.239 28.738 -0.088 0.000 0.988 566 Q HN 0.625 nan 8.270 nan 0.000 0.521 567 L N 0.092 121.271 121.223 -0.074 0.000 2.395 567 L HA 0.052 4.391 4.340 -0.001 0.000 0.218 567 L C 0.690 177.488 176.870 -0.120 0.000 1.130 567 L CA -0.201 54.579 54.840 -0.100 0.000 0.826 567 L CB 0.150 42.138 42.059 -0.118 0.000 0.941 567 L HN 0.327 nan 8.230 nan 0.000 0.451 568 C N -0.602 118.619 119.300 -0.132 0.000 2.345 568 C HA 0.225 4.684 4.460 -0.001 0.000 0.370 568 C C 1.724 176.730 174.990 0.027 0.000 1.209 568 C CA -0.904 57.992 59.018 -0.203 0.000 2.133 568 C CB 1.113 28.544 27.740 -0.514 0.000 2.293 568 C HN 0.327 nan 8.230 nan 0.000 0.544 569 N N -0.014 118.749 118.700 0.106 0.000 2.416 569 N HA 0.026 4.765 4.740 -0.001 0.000 0.177 569 N C -0.312 175.181 175.510 -0.028 0.000 1.036 569 N CA 0.973 54.135 53.050 0.185 0.000 0.901 569 N CB -0.030 38.558 38.487 0.169 0.000 0.976 569 N HN 0.737 nan 8.380 nan 0.000 0.444 570 H N -1.177 118.092 119.070 0.332 0.000 2.996 570 H HA 0.369 4.924 4.556 -0.001 0.000 0.368 570 H C -0.510 174.947 175.328 0.215 0.000 1.185 570 H CA -0.678 55.557 56.048 0.312 0.000 1.160 570 H CB 1.366 31.352 29.762 0.374 0.000 1.820 570 H HN -0.210 nan 8.280 nan 0.000 0.547 571 R N 1.770 122.408 120.500 0.230 0.000 2.242 571 R HA 0.344 4.683 4.340 -0.001 0.000 0.334 571 R C -0.888 175.482 176.300 0.117 0.000 1.071 571 R CA -0.428 55.747 56.100 0.125 0.000 0.922 571 R CB 0.489 30.765 30.300 -0.041 0.000 1.023 571 R HN 0.232 nan 8.270 nan 0.000 0.458 572 V N 6.327 126.387 119.914 0.244 0.000 2.334 572 V HA 0.324 4.443 4.120 -0.001 0.000 0.281 572 V C 0.249 176.458 176.094 0.191 0.000 1.016 572 V CA -0.573 61.855 62.300 0.212 0.000 0.832 572 V CB 1.524 33.534 31.823 0.311 0.000 0.999 572 V HN 0.646 nan 8.190 nan 0.000 0.439 573 I N 5.309 125.970 120.570 0.153 0.000 2.306 573 I HA 0.394 4.563 4.170 -0.001 0.000 0.288 573 I C 0.415 176.762 176.117 0.384 0.000 1.036 573 I CA 0.176 61.536 61.300 0.100 0.000 1.221 573 I CB 1.283 39.211 38.000 -0.120 0.000 1.385 573 I HN 0.717 nan 8.210 nan 0.000 0.472 574 S N 6.461 122.360 115.700 0.332 0.000 2.568 574 S HA 0.654 5.123 4.470 -0.001 0.000 0.302 574 S C -0.711 174.086 174.600 0.329 0.000 1.082 574 S CA -0.923 57.458 58.200 0.302 0.000 1.009 574 S CB 2.357 65.635 63.200 0.131 0.000 1.069 574 S HN 0.433 nan 8.310 nan 0.000 0.500 575 L N 1.851 123.146 121.223 0.121 0.000 2.331 575 L HA 0.370 4.709 4.340 -0.001 0.000 0.278 575 L C -0.216 176.718 176.870 0.107 0.000 1.106 575 L CA 0.200 55.136 54.840 0.159 0.000 0.824 575 L CB 0.660 42.636 42.059 -0.138 0.000 1.142 575 L HN 0.763 nan 8.230 nan 0.000 0.443 576 Q N 5.382 125.282 119.800 0.167 0.000 2.456 576 Q HA 0.514 4.853 4.340 -0.001 0.000 0.234 576 Q C -0.337 175.684 176.000 0.035 0.000 1.061 576 Q CA -0.482 55.342 55.803 0.034 0.000 0.896 576 Q CB 1.021 29.773 28.738 0.024 0.000 1.233 576 Q HN 0.838 nan 8.270 nan 0.000 0.506 577 A N 2.911 125.680 122.820 -0.084 0.000 2.354 577 A HA 0.181 4.500 4.320 -0.001 0.000 0.269 577 A C 0.024 177.252 177.584 -0.594 0.000 1.109 577 A CA -0.496 51.364 52.037 -0.295 0.000 0.800 577 A CB 0.465 19.340 19.000 -0.209 0.000 1.045 577 A HN 0.656 nan 8.150 nan 0.000 0.489 578 K N 2.438 122.042 120.400 -1.326 0.000 2.245 578 K HA 0.127 4.446 4.320 -0.001 0.000 0.281 578 K C 0.303 176.596 176.600 -0.512 0.000 1.079 578 K CA -0.300 55.420 56.287 -0.945 0.000 1.000 578 K CB -0.380 31.298 32.500 -1.369 0.000 1.038 578 K HN 0.735 nan 8.250 nan 0.000 0.430 579 C N 4.684 123.857 119.300 -0.213 0.000 2.467 579 C HA 0.098 4.557 4.460 -0.001 0.000 0.279 579 C C 1.248 176.240 174.990 0.003 0.000 1.347 579 C CA -0.250 58.736 59.018 -0.052 0.000 1.748 579 C CB -1.072 26.727 27.740 0.100 0.000 1.977 579 C HN 0.852 nan 8.230 nan 0.000 0.501 580 I N -3.151 117.426 120.570 0.013 0.000 3.279 580 I HA 0.569 4.738 4.170 -0.001 0.000 0.315 580 I C -1.218 174.922 176.117 0.039 0.000 1.225 580 I CA -0.705 60.628 61.300 0.056 0.000 0.947 580 I CB 1.090 39.161 38.000 0.117 0.000 1.293 580 I HN -0.263 nan 8.210 nan 0.000 0.468 581 E N 2.052 122.292 120.200 0.066 0.000 2.366 581 E HA 0.370 4.719 4.350 -0.001 0.000 0.266 581 E C -2.397 174.242 176.600 0.066 0.000 1.051 581 E CA -1.663 54.775 56.400 0.063 0.000 0.884 581 E CB 0.302 30.046 29.700 0.073 0.000 1.006 581 E HN 0.404 nan 8.360 nan 0.000 0.417 582 P HA -0.081 nan 4.420 nan 0.000 0.261 582 P C -0.472 176.866 177.300 0.063 0.000 1.173 582 P CA 0.217 63.346 63.100 0.048 0.000 0.760 582 P CB 0.363 32.090 31.700 0.044 0.000 0.783 583 V N 4.375 124.320 119.914 0.051 0.000 2.521 583 V HA 0.316 4.435 4.120 -0.001 0.000 0.286 583 V C 1.423 177.555 176.094 0.063 0.000 1.034 583 V CA 1.422 63.764 62.300 0.070 0.000 1.045 583 V CB -0.264 31.591 31.823 0.054 0.000 0.974 583 V HN 1.070 nan 8.190 nan 0.000 0.480 584 G N 5.200 114.049 108.800 0.081 0.000 2.556 584 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.283 584 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.283 584 G C 0.483 175.464 174.900 0.136 0.000 1.177 584 G CA 0.617 45.773 45.100 0.093 0.000 0.978 584 G HN 0.689 nan 8.290 nan 0.000 0.554 585 E N 0.906 121.216 120.200 0.184 0.000 2.465 585 E HA 0.381 4.730 4.350 -0.001 0.000 0.195 585 E C 1.295 178.140 176.600 0.408 0.000 1.028 585 E CA 0.473 57.054 56.400 0.303 0.000 0.899 585 E CB 0.138 30.062 29.700 0.374 0.000 1.032 585 E HN 0.685 nan 8.360 nan 0.000 0.468 586 S N 0.570 116.413 115.700 0.238 0.000 2.608 586 S HA 0.409 4.878 4.470 -0.001 0.000 0.261 586 S C 0.206 174.885 174.600 0.131 0.000 1.314 586 S CA -0.584 57.757 58.200 0.235 0.000 0.992 586 S CB 0.863 64.099 63.200 0.061 0.000 0.935 586 S HN 0.213 nan 8.310 nan 0.000 0.564 587 M N -0.213 119.423 119.600 0.059 0.000 2.683 587 M HA 0.539 5.018 4.480 -0.001 0.000 0.274 587 M C -0.541 175.740 176.300 -0.033 0.000 1.272 587 M CA -1.014 54.248 55.300 -0.065 0.000 0.833 587 M CB 1.577 34.002 32.600 -0.291 0.000 1.708 587 M HN 0.726 nan 8.290 nan 0.000 0.463 588 S N -0.513 115.191 115.700 0.006 0.000 2.585 588 S HA 0.134 4.603 4.470 -0.001 0.000 0.273 588 S C 0.321 174.943 174.600 0.036 0.000 1.339 588 S CA -0.195 58.041 58.200 0.060 0.000 1.028 588 S CB 0.674 63.964 63.200 0.150 0.000 0.906 588 S HN 0.735 nan 8.310 nan 0.000 0.528 589 D N 0.496 120.925 120.400 0.048 0.000 2.158 589 D HA -0.174 4.465 4.640 -0.001 0.000 0.197 589 D C 1.394 177.659 176.300 -0.057 0.000 0.995 589 D CA 1.694 55.652 54.000 -0.070 0.000 0.846 589 D CB -0.243 40.646 40.800 0.148 0.000 0.941 589 D HN 0.813 nan 8.370 nan 0.000 0.456 590 Y N 1.930 122.311 120.300 0.136 0.000 2.181 590 Y HA -0.176 4.373 4.550 -0.002 0.000 0.288 590 Y C 2.199 178.259 175.900 0.267 0.000 1.146 590 Y CA 1.408 59.695 58.100 0.312 0.000 1.164 590 Y CB 0.130 38.766 38.460 0.293 0.000 0.982 590 Y HN -0.179 nan 8.280 nan 0.000 0.515 591 E N 0.275 120.627 120.200 0.255 0.000 2.204 591 E HA -0.142 4.208 4.350 -0.001 0.000 0.194 591 E C 2.310 178.858 176.600 -0.087 0.000 0.989 591 E CA 1.174 57.639 56.400 0.108 0.000 0.824 591 E CB -0.207 29.531 29.700 0.063 0.000 0.756 591 E HN 0.616 nan 8.360 nan 0.000 0.477 592 I N -0.106 120.366 120.570 -0.164 0.000 2.202 592 I HA -0.272 3.897 4.170 -0.001 0.000 0.242 592 I C 2.189 178.262 176.117 -0.073 0.000 1.091 592 I CA 1.191 62.370 61.300 -0.201 0.000 1.368 592 I CB -0.400 37.493 38.000 -0.179 0.000 1.058 592 I HN 0.106 nan 8.210 nan 0.000 0.410 593 Y N 0.347 120.558 120.300 -0.149 0.000 2.293 593 Y HA -0.202 4.348 4.550 -0.001 0.000 0.291 593 Y C 2.826 178.504 175.900 -0.371 0.000 1.137 593 Y CA 0.547 58.303 58.100 -0.573 0.000 1.202 593 Y CB -0.181 37.824 38.460 -0.758 0.000 0.990 593 Y HN 0.074 nan 8.280 nan 0.000 0.537 594 R N 0.389 120.914 120.500 0.040 0.000 2.115 594 R HA -0.176 4.163 4.340 -0.001 0.000 0.230 594 R C 2.115 178.501 176.300 0.144 0.000 1.111 594 R CA 1.062 57.281 56.100 0.198 0.000 0.976 594 R CB -0.302 30.103 30.300 0.176 0.000 0.870 594 R HN 0.315 nan 8.270 nan 0.000 0.445 595 L N -0.053 121.192 121.223 0.038 0.000 2.072 595 L HA -0.019 4.320 4.340 -0.001 0.000 0.205 595 L C 1.629 178.515 176.870 0.027 0.000 1.079 595 L CA 1.672 56.497 54.840 -0.025 0.000 0.752 595 L CB -0.506 41.443 42.059 -0.184 0.000 0.906 595 L HN 0.109 nan 8.230 nan 0.000 0.436 596 F N -0.261 119.759 119.950 0.117 0.000 2.186 596 F HA -0.147 4.380 4.527 -0.002 0.000 0.299 596 F C 2.469 178.450 175.800 0.302 0.000 1.090 596 F CA 1.099 59.243 58.000 0.241 0.000 1.307 596 F CB -0.531 38.651 39.000 0.303 0.000 1.019 596 F HN 0.211 nan 8.300 nan 0.000 0.489 597 A N -0.113 122.991 122.820 0.473 0.000 1.933 597 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 597 A C 2.164 179.898 177.584 0.250 0.000 1.175 597 A CA 1.809 54.048 52.037 0.336 0.000 0.628 597 A CB -0.661 18.511 19.000 0.287 0.000 0.814 597 A HN 0.371 nan 8.150 nan 0.000 0.444 598 K N -0.041 120.490 120.400 0.218 0.000 2.097 598 K HA -0.091 4.228 4.320 -0.001 0.000 0.205 598 K C 1.684 178.373 176.600 0.147 0.000 1.050 598 K CA 1.476 57.861 56.287 0.163 0.000 0.938 598 K CB -0.132 32.444 32.500 0.126 0.000 0.718 598 K HN 0.397 nan 8.250 nan 0.000 0.442 599 K N 0.216 120.718 120.400 0.168 0.000 2.418 599 K HA 0.044 4.363 4.320 -0.001 0.000 0.195 599 K C 1.236 177.946 176.600 0.183 0.000 1.035 599 K CA 0.412 56.796 56.287 0.162 0.000 1.003 599 K CB 0.294 32.891 32.500 0.162 0.000 0.793 599 K HN 0.204 nan 8.250 nan 0.000 0.494 600 L N 0.544 121.890 121.223 0.205 0.000 2.769 600 L HA 0.122 4.461 4.340 -0.001 0.000 0.240 600 L C 0.040 176.975 176.870 0.108 0.000 1.163 600 L CA -0.297 54.638 54.840 0.159 0.000 0.962 600 L CB -0.207 41.954 42.059 0.170 0.000 1.258 600 L HN 0.186 nan 8.230 nan 0.000 0.513 601 N N 1.653 120.423 118.700 0.116 0.000 2.735 601 N HA -0.232 4.507 4.740 -0.001 0.000 0.248 601 N C 0.220 175.786 175.510 0.093 0.000 1.083 601 N CA 1.052 54.160 53.050 0.096 0.000 0.703 601 N CB -0.969 37.562 38.487 0.074 0.000 1.005 601 N HN 0.629 nan 8.380 nan 0.000 0.550 602 I N -4.003 116.637 120.570 0.117 0.000 3.597 602 I HA 0.269 4.439 4.170 -0.001 0.000 0.323 602 I C 1.239 177.476 176.117 0.201 0.000 1.535 602 I CA -0.619 60.753 61.300 0.121 0.000 1.028 602 I CB 0.357 38.400 38.000 0.070 0.000 1.354 602 I HN 0.072 nan 8.210 nan 0.000 0.544 603 E N 2.235 122.562 120.200 0.211 0.000 2.058 603 E HA -0.310 4.039 4.350 -0.001 0.000 0.194 603 E C 1.881 178.646 176.600 0.274 0.000 0.997 603 E CA 2.253 58.819 56.400 0.277 0.000 0.801 603 E CB 0.221 30.052 29.700 0.218 0.000 0.746 603 E HN 0.624 nan 8.360 nan 0.000 0.450 604 E N 0.229 120.545 120.200 0.194 0.000 2.058 604 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 604 E C 1.928 178.643 176.600 0.192 0.000 0.997 604 E CA 1.957 58.457 56.400 0.167 0.000 0.801 604 E CB -0.166 29.604 29.700 0.117 0.000 0.746 604 E HN 0.259 nan 8.360 nan 0.000 0.450 605 M N -0.501 119.210 119.600 0.185 0.000 2.159 605 M HA 0.008 4.487 4.480 -0.001 0.000 0.263 605 M C 1.941 178.401 176.300 0.268 0.000 1.063 605 M CA 1.325 56.736 55.300 0.185 0.000 1.110 605 M CB -0.696 31.979 32.600 0.124 0.000 1.374 605 M HN 0.229 nan 8.290 nan 0.000 0.411 606 F N 0.515 120.570 119.950 0.174 0.000 2.094 606 F HA -0.105 4.422 4.527 -0.002 0.000 0.291 606 F C 2.585 178.607 175.800 0.370 0.000 1.109 606 F CA 1.709 59.835 58.000 0.211 0.000 1.221 606 F CB -0.739 38.368 39.000 0.178 0.000 1.014 606 F HN 0.236 nan 8.300 nan 0.000 0.473 607 S N -0.856 114.901 115.700 0.094 0.000 2.458 607 S HA 0.011 4.480 4.470 -0.001 0.000 0.223 607 S C 0.956 175.731 174.600 0.291 0.000 1.019 607 S CA 0.638 58.960 58.200 0.203 0.000 0.937 607 S CB -0.482 62.914 63.200 0.327 0.000 0.788 607 S HN 0.538 nan 8.310 nan 0.000 0.511 608 E N 0.344 120.672 120.200 0.212 0.000 2.586 608 E HA -0.190 4.159 4.350 -0.001 0.000 0.259 608 E C 0.727 177.331 176.600 0.006 0.000 1.107 608 E CA 0.314 56.781 56.400 0.111 0.000 0.754 608 E CB -1.901 27.848 29.700 0.082 0.000 1.335 608 E HN 0.991 nan 8.360 nan 0.000 0.411 609 G N -0.005 108.833 108.800 0.065 0.000 2.175 609 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.265 609 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.265 609 G C 0.062 174.945 174.900 -0.029 0.000 0.979 609 G CA 1.075 46.194 45.100 0.032 0.000 0.663 609 G HN 0.287 nan 8.290 nan 0.000 0.533 610 K N 1.017 121.365 120.400 -0.087 0.000 2.159 610 K HA 0.547 4.866 4.320 -0.001 0.000 0.266 610 K C -0.106 176.498 176.600 0.008 0.000 0.975 610 K CA -0.437 55.707 56.287 -0.238 0.000 0.865 610 K CB 1.331 33.329 32.500 -0.838 0.000 1.087 610 K HN 0.366 nan 8.250 nan 0.000 0.446 611 D N 0.393 120.785 120.400 -0.014 0.000 2.466 611 D HA 0.047 4.686 4.640 -0.001 0.000 0.262 611 D C 0.497 176.777 176.300 -0.034 0.000 1.177 611 D CA -0.572 53.476 54.000 0.080 0.000 1.035 611 D CB 0.580 41.427 40.800 0.078 0.000 1.105 611 D HN 0.499 nan 8.370 nan 0.000 0.551 612 E N -1.200 118.942 120.200 -0.097 0.000 2.130 612 E HA -0.174 4.175 4.350 -0.001 0.000 0.196 612 E C 1.717 178.351 176.600 0.057 0.000 0.998 612 E CA 0.744 57.096 56.400 -0.079 0.000 0.806 612 E CB -0.141 29.583 29.700 0.040 0.000 0.738 612 E HN 0.302 nan 8.360 nan 0.000 0.459 613 L N 0.355 121.582 121.223 0.007 0.000 2.141 613 L HA -0.049 4.290 4.340 -0.001 0.000 0.209 613 L C 2.081 178.867 176.870 -0.140 0.000 1.094 613 L CA 1.578 56.378 54.840 -0.067 0.000 0.763 613 L CB -0.518 41.356 42.059 -0.308 0.000 0.908 613 L HN 0.045 nan 8.230 nan 0.000 0.437 614 A N -1.687 121.027 122.820 -0.177 0.000 1.929 614 A HA -0.208 4.111 4.320 -0.001 0.000 0.216 614 A C 2.084 179.494 177.584 -0.290 0.000 1.176 614 A CA 1.428 53.290 52.037 -0.293 0.000 0.628 614 A CB -1.135 17.666 19.000 -0.331 0.000 0.816 614 A HN 0.591 nan 8.150 nan 0.000 0.444 615 W N -0.667 120.527 121.300 -0.177 0.000 2.402 615 W HA -0.153 4.506 4.660 -0.002 0.000 0.286 615 W C 2.541 179.009 176.519 -0.087 0.000 1.221 615 W CA 0.831 58.104 57.345 -0.121 0.000 1.257 615 W CB -0.496 28.893 29.460 -0.119 0.000 1.120 615 W HN 0.350 nan 8.180 nan 0.000 0.551 616 C N -0.704 118.656 119.300 0.101 0.000 2.432 616 C HA -0.200 4.259 4.460 -0.001 0.000 0.277 616 C C 2.538 177.390 174.990 -0.231 0.000 1.249 616 C CA 1.427 60.482 59.018 0.062 0.000 1.725 616 C CB -1.230 26.627 27.740 0.195 0.000 2.028 616 C HN 0.414 nan 8.230 nan 0.000 0.477 617 E N 0.444 120.164 120.200 -0.800 0.000 2.058 617 E HA -0.313 4.037 4.350 -0.001 0.000 0.194 617 E C 2.240 178.580 176.600 -0.434 0.000 0.997 617 E CA 1.540 57.153 56.400 -1.312 0.000 0.801 617 E CB -0.296 28.564 29.700 -1.399 0.000 0.746 617 E HN 0.686 nan 8.360 nan 0.000 0.450 618 Q N -0.727 118.919 119.800 -0.256 0.000 2.135 618 Q HA -0.243 4.096 4.340 -0.001 0.000 0.204 618 Q C 1.977 177.999 176.000 0.038 0.000 0.981 618 Q CA 1.733 57.467 55.803 -0.115 0.000 0.856 618 Q CB -0.252 28.410 28.738 -0.127 0.000 0.902 618 Q HN 0.458 nan 8.270 nan 0.000 0.425 619 Y N -0.102 120.222 120.300 0.040 0.000 2.145 619 Y HA -0.279 4.271 4.550 -0.001 0.000 0.286 619 Y C 1.910 177.890 175.900 0.133 0.000 1.145 619 Y CA 1.935 60.128 58.100 0.156 0.000 1.148 619 Y CB -0.466 38.094 38.460 0.167 0.000 0.981 619 Y HN 0.272 nan 8.280 nan 0.000 0.507 620 F N 1.366 121.451 119.950 0.226 0.000 2.091 620 F HA -0.346 4.180 4.527 -0.002 0.000 0.299 620 F C 2.024 177.866 175.800 0.070 0.000 1.103 620 F CA 2.252 60.372 58.000 0.199 0.000 1.228 620 F CB -0.573 38.574 39.000 0.245 0.000 0.984 620 F HN 0.077 nan 8.300 nan 0.000 0.477 621 N N 0.510 119.329 118.700 0.198 0.000 2.381 621 N HA -0.068 4.671 4.740 -0.001 0.000 0.182 621 N C 1.625 177.083 175.510 -0.088 0.000 1.025 621 N CA 1.064 54.148 53.050 0.056 0.000 0.888 621 N CB -0.483 38.037 38.487 0.055 0.000 0.965 621 N HN 0.419 nan 8.380 nan 0.000 0.438 622 A N 0.280 123.020 122.820 -0.133 0.000 2.238 622 A HA 0.051 4.370 4.320 -0.001 0.000 0.208 622 A C 1.288 178.804 177.584 -0.113 0.000 1.177 622 A CA 0.417 52.337 52.037 -0.194 0.000 0.804 622 A CB -0.312 18.452 19.000 -0.393 0.000 0.823 622 A HN 0.373 nan 8.150 nan 0.000 0.482 623 T N -4.306 110.139 114.554 -0.182 0.000 2.876 623 T HA 0.408 4.757 4.350 -0.001 0.000 0.277 623 T C 0.055 174.654 174.700 -0.168 0.000 0.997 623 T CA -0.159 61.809 62.100 -0.220 0.000 0.966 623 T CB 0.820 69.450 68.868 -0.397 0.000 1.312 623 T HN -0.039 nan 8.240 nan 0.000 0.598 624 D N -0.215 120.056 120.400 -0.214 0.000 2.340 624 D HA 0.149 4.788 4.640 -0.001 0.000 0.220 624 D C 1.807 178.157 176.300 0.083 0.000 1.039 624 D CA 0.075 53.998 54.000 -0.128 0.000 0.866 624 D CB -0.064 40.532 40.800 -0.339 0.000 0.913 624 D HN 0.283 nan 8.370 nan 0.000 0.523 625 M N 0.415 119.977 119.600 -0.063 0.000 2.082 625 M HA -0.113 4.366 4.480 -0.001 0.000 0.258 625 M C -0.755 175.500 176.300 -0.075 0.000 1.069 625 M CA 1.452 56.659 55.300 -0.154 0.000 1.102 625 M CB -2.035 29.972 32.600 -0.988 0.000 1.336 625 M HN -0.045 nan 8.290 nan 0.000 0.404 626 P HA -0.202 nan 4.420 nan 0.000 0.218 626 P C 1.132 178.475 177.300 0.071 0.000 1.147 626 P CA 1.432 64.587 63.100 0.090 0.000 0.827 626 P CB -0.200 31.534 31.700 0.057 0.000 0.778 627 K N -2.416 118.009 120.400 0.042 0.000 2.211 627 K HA -0.111 4.208 4.320 -0.001 0.000 0.203 627 K C 1.481 177.925 176.600 -0.260 0.000 1.050 627 K CA 1.240 57.471 56.287 -0.094 0.000 0.945 627 K CB -0.253 32.178 32.500 -0.115 0.000 0.732 627 K HN 0.312 nan 8.250 nan 0.000 0.451 628 Y N -0.285 120.019 120.300 0.005 0.000 2.558 628 Y HA 0.236 4.785 4.550 -0.001 0.000 0.273 628 Y C 0.836 176.711 175.900 -0.041 0.000 1.100 628 Y CA -0.280 57.788 58.100 -0.054 0.000 1.276 628 Y CB 0.634 38.930 38.460 -0.273 0.000 1.196 628 Y HN -0.060 nan 8.280 nan 0.000 0.527 629 M N -1.291 118.398 119.600 0.149 0.000 2.605 629 M HA 0.378 4.857 4.480 -0.001 0.000 0.281 629 M C -0.665 175.832 176.300 0.328 0.000 1.166 629 M CA -0.870 54.544 55.300 0.190 0.000 0.875 629 M CB 1.532 34.228 32.600 0.159 0.000 1.732 629 M HN -0.035 nan 8.290 nan 0.000 0.504 630 T N -1.762 112.932 114.554 0.234 0.000 2.726 630 T HA 0.130 4.479 4.350 -0.001 0.000 0.294 630 T C 0.814 175.571 174.700 0.094 0.000 1.013 630 T CA -0.270 61.974 62.100 0.238 0.000 0.996 630 T CB 1.144 70.098 68.868 0.143 0.000 1.016 630 T HN 0.938 nan 8.240 nan 0.000 0.529 631 W N 1.097 122.248 121.300 -0.249 0.000 2.333 631 W HA -0.205 4.454 4.660 -0.001 0.000 0.316 631 W C 1.245 177.656 176.519 -0.180 0.000 1.215 631 W CA 1.812 58.822 57.345 -0.560 0.000 1.278 631 W CB -0.496 28.751 29.460 -0.354 0.000 1.154 631 W HN 0.712 nan 8.180 nan 0.000 0.486 632 D N 0.452 120.729 120.400 -0.205 0.000 2.106 632 D HA -0.251 4.388 4.640 -0.001 0.000 0.191 632 D C 1.882 178.095 176.300 -0.145 0.000 0.997 632 D CA 2.264 56.124 54.000 -0.233 0.000 0.834 632 D CB -0.896 39.861 40.800 -0.072 0.000 0.956 632 D HN 0.425 nan 8.370 nan 0.000 0.448 633 E N -0.493 119.674 120.200 -0.054 0.000 2.110 633 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 633 E C 1.932 178.518 176.600 -0.023 0.000 0.988 633 E CA 0.478 56.870 56.400 -0.012 0.000 0.804 633 E CB -0.217 29.511 29.700 0.046 0.000 0.745 633 E HN 0.258 nan 8.360 nan 0.000 0.458 634 F N 0.852 120.686 119.950 -0.193 0.000 2.098 634 F HA -0.139 4.387 4.527 -0.001 0.000 0.294 634 F C 2.027 177.663 175.800 -0.273 0.000 1.107 634 F CA 1.027 58.917 58.000 -0.184 0.000 1.234 634 F CB -0.389 38.490 39.000 -0.202 0.000 1.002 634 F HN -0.065 nan 8.300 nan 0.000 0.472 635 F N 1.434 120.978 119.950 -0.676 0.000 2.120 635 F HA -0.246 4.280 4.527 -0.001 0.000 0.300 635 F C 2.486 178.019 175.800 -0.446 0.000 1.095 635 F CA 2.401 59.947 58.000 -0.756 0.000 1.249 635 F CB -0.572 37.826 39.000 -1.003 0.000 0.995 635 F HN -0.007 nan 8.300 nan 0.000 0.480 636 K N 0.325 120.582 120.400 -0.239 0.000 2.025 636 K HA -0.220 4.099 4.320 -0.001 0.000 0.207 636 K C 2.367 178.823 176.600 -0.240 0.000 1.049 636 K CA 1.596 57.769 56.287 -0.190 0.000 0.933 636 K CB -0.268 32.188 32.500 -0.075 0.000 0.714 636 K HN 0.215 nan 8.250 nan 0.000 0.438 637 K N -1.222 119.026 120.400 -0.252 0.000 2.026 637 K HA -0.129 4.191 4.320 -0.001 0.000 0.208 637 K C 1.192 177.643 176.600 -0.249 0.000 1.048 637 K CA 1.786 57.928 56.287 -0.240 0.000 0.929 637 K CB -0.001 32.350 32.500 -0.248 0.000 0.713 637 K HN 0.467 nan 8.250 nan 0.000 0.439 638 G N -0.772 107.770 108.800 -0.430 0.000 2.308 638 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.221 638 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.221 638 G C -0.019 174.761 174.900 -0.201 0.000 1.032 638 G CA 0.492 45.403 45.100 -0.315 0.000 0.623 638 G HN 0.515 nan 8.290 nan 0.000 0.506 639 Y N -1.952 118.192 120.300 -0.259 0.000 2.638 639 Y HA 0.804 5.354 4.550 -0.001 0.000 0.335 639 Y C -1.376 174.601 175.900 0.129 0.000 1.155 639 Y CA -2.253 55.805 58.100 -0.069 0.000 1.046 639 Y CB 1.165 39.595 38.460 -0.049 0.000 1.303 639 Y HN 0.706 nan 8.280 nan 0.000 0.460 640 F N 1.683 121.698 119.950 0.108 0.000 2.588 640 F HA 0.698 5.225 4.527 -0.001 0.000 0.314 640 F C -2.036 173.732 175.800 -0.053 0.000 1.134 640 F CA -1.103 56.885 58.000 -0.021 0.000 0.961 640 F CB 2.020 41.122 39.000 0.171 0.000 1.239 640 F HN 0.499 nan 8.300 nan 0.000 0.448 641 V N 6.504 125.818 119.914 -0.999 0.000 2.328 641 V HA 0.313 4.432 4.120 -0.001 0.000 0.278 641 V C -0.210 175.165 176.094 -1.199 0.000 1.021 641 V CA -0.928 60.864 62.300 -0.845 0.000 0.838 641 V CB 1.018 32.347 31.823 -0.823 0.000 0.999 641 V HN 0.628 nan 8.190 nan 0.000 0.447 642 V N 8.186 127.619 119.914 -0.802 0.000 2.694 642 V HA 0.072 4.191 4.120 -0.001 0.000 0.306 642 V C -1.737 174.066 176.094 -0.484 0.000 1.054 642 V CA -0.655 61.209 62.300 -0.727 0.000 1.161 642 V CB 0.459 31.946 31.823 -0.560 0.000 0.916 642 V HN 0.745 nan 8.190 nan 0.000 0.490 643 P HA 0.145 nan 4.420 nan 0.000 0.272 643 P C -0.660 176.611 177.300 -0.048 0.000 1.230 643 P CA -0.371 62.627 63.100 -0.170 0.000 0.788 643 P CB 0.420 32.086 31.700 -0.056 0.000 0.949 644 D N 0.863 121.286 120.400 0.038 0.000 2.345 644 D HA 0.052 4.691 4.640 -0.001 0.000 0.247 644 D C -0.301 176.049 176.300 0.082 0.000 1.108 644 D CA -0.028 54.029 54.000 0.096 0.000 0.894 644 D CB 0.047 40.942 40.800 0.158 0.000 1.203 644 D HN 0.073 nan 8.370 nan 0.000 0.430 645 N N 3.748 122.490 118.700 0.070 0.000 2.936 645 N HA 0.310 5.050 4.740 -0.001 0.000 0.243 645 N C -2.143 173.398 175.510 0.052 0.000 1.149 645 N CA -1.994 51.098 53.050 0.071 0.000 0.914 645 N CB 1.164 39.698 38.487 0.077 0.000 1.179 645 N HN 0.181 nan 8.380 nan 0.000 0.502 646 P HA -0.127 nan 4.420 nan 0.000 0.216 646 P C 0.595 177.922 177.300 0.045 0.000 1.154 646 P CA 1.224 64.361 63.100 0.061 0.000 0.865 646 P CB 0.355 32.094 31.700 0.066 0.000 0.789 647 N N -0.922 117.805 118.700 0.045 0.000 2.446 647 N HA -0.024 4.715 4.740 -0.001 0.000 0.179 647 N C 0.732 176.263 175.510 0.034 0.000 1.054 647 N CA 0.158 53.231 53.050 0.039 0.000 0.905 647 N CB -0.429 38.082 38.487 0.040 0.000 0.973 647 N HN 0.335 nan 8.380 nan 0.000 0.448 648 R N 2.403 122.923 120.500 0.033 0.000 2.697 648 R HA -0.024 4.315 4.340 -0.001 0.000 0.265 648 R C 0.135 176.450 176.300 0.026 0.000 1.009 648 R CA -0.029 56.091 56.100 0.032 0.000 1.099 648 R CB 0.183 30.500 30.300 0.028 0.000 0.965 648 R HN 0.052 nan 8.270 nan 0.000 0.428 649 K N 2.064 122.485 120.400 0.035 0.000 2.270 649 K HA 0.163 4.483 4.320 -0.001 0.000 0.276 649 K C -0.743 175.886 176.600 0.047 0.000 1.023 649 K CA -0.776 55.533 56.287 0.038 0.000 0.955 649 K CB 0.852 33.375 32.500 0.038 0.000 0.975 649 K HN 0.335 nan 8.250 nan 0.000 0.471 650 K N 2.710 123.139 120.400 0.048 0.000 2.312 650 K HA 0.105 4.424 4.320 -0.001 0.000 0.287 650 K C -0.448 176.209 176.600 0.096 0.000 1.062 650 K CA -0.311 56.015 56.287 0.066 0.000 0.934 650 K CB 1.104 33.632 32.500 0.046 0.000 1.027 650 K HN 0.863 nan 8.250 nan 0.000 0.478 651 T N -1.046 113.592 114.554 0.140 0.000 2.977 651 T HA 0.306 4.655 4.350 -0.001 0.000 0.346 651 T C 0.192 175.010 174.700 0.197 0.000 1.140 651 T CA -0.846 61.344 62.100 0.149 0.000 1.040 651 T CB 0.290 69.220 68.868 0.104 0.000 1.046 651 T HN 0.091 nan 8.240 nan 0.000 0.494 652 V N 2.985 123.001 119.914 0.170 0.000 2.715 652 V HA 0.490 4.609 4.120 -0.001 0.000 0.299 652 V C 1.334 177.551 176.094 0.205 0.000 1.054 652 V CA -0.755 61.637 62.300 0.154 0.000 1.077 652 V CB 0.210 32.090 31.823 0.094 0.000 0.972 652 V HN 1.134 nan 8.190 nan 0.000 0.484 653 A N 4.977 127.916 122.820 0.198 0.000 2.567 653 A HA 0.346 4.665 4.320 -0.001 0.000 0.240 653 A C 1.086 178.753 177.584 0.138 0.000 1.053 653 A CA 0.174 52.349 52.037 0.229 0.000 0.755 653 A CB -0.647 18.438 19.000 0.140 0.000 0.978 653 A HN 1.268 nan 8.150 nan 0.000 0.507 654 L N -0.272 121.016 121.223 0.109 0.000 4.988 654 L HA -0.322 4.018 4.340 -0.001 0.000 0.439 654 L C 2.062 178.785 176.870 -0.244 0.000 1.080 654 L CA 1.324 56.024 54.840 -0.233 0.000 1.018 654 L CB -1.247 40.785 42.059 -0.045 0.000 1.945 654 L HN 0.970 nan 8.230 nan 0.000 0.782 655 R N 1.156 121.631 120.500 -0.041 0.000 2.081 655 R HA -0.172 4.167 4.340 -0.001 0.000 0.235 655 R C 2.268 178.582 176.300 0.024 0.000 1.131 655 R CA 2.260 58.377 56.100 0.027 0.000 0.960 655 R CB -0.255 30.107 30.300 0.103 0.000 0.856 655 R HN 0.734 nan 8.270 nan 0.000 0.436 656 W N -0.138 121.237 121.300 0.125 0.000 2.321 656 W HA -0.246 4.413 4.660 -0.002 0.000 0.306 656 W C 1.614 178.202 176.519 0.115 0.000 1.217 656 W CA 0.490 57.891 57.345 0.093 0.000 1.257 656 W CB -1.348 28.158 29.460 0.078 0.000 1.145 656 W HN 0.084 nan 8.180 nan 0.000 0.509 657 F N 2.844 122.310 119.950 -0.806 0.000 2.186 657 F HA 0.079 4.605 4.527 -0.001 0.000 0.299 657 F C 2.589 178.223 175.800 -0.276 0.000 1.090 657 F CA 2.408 59.991 58.000 -0.695 0.000 1.307 657 F CB -0.813 37.519 39.000 -1.114 0.000 1.019 657 F HN -0.094 nan 8.300 nan 0.000 0.489 658 A N 0.330 123.015 122.820 -0.225 0.000 1.877 658 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 658 A C 2.073 179.565 177.584 -0.154 0.000 1.186 658 A CA 1.887 53.886 52.037 -0.062 0.000 0.620 658 A CB -0.893 18.204 19.000 0.162 0.000 0.822 658 A HN 0.559 nan 8.150 nan 0.000 0.443 659 E N -1.440 118.709 120.200 -0.084 0.000 2.427 659 E HA 0.226 4.575 4.350 -0.001 0.000 0.196 659 E C 0.989 177.538 176.600 -0.085 0.000 1.028 659 E CA 0.251 56.618 56.400 -0.055 0.000 0.864 659 E CB -0.165 29.541 29.700 0.009 0.000 0.813 659 E HN 0.774 nan 8.360 nan 0.000 0.514 660 G N 2.496 111.211 108.800 -0.141 0.000 2.198 660 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.257 660 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.257 660 G C 0.132 175.045 174.900 0.022 0.000 1.042 660 G CA 0.704 45.737 45.100 -0.111 0.000 0.791 660 G HN 0.333 nan 8.290 nan 0.000 0.502 661 R N -1.240 119.329 120.500 0.114 0.000 3.006 661 R HA 0.769 5.108 4.340 -0.001 0.000 0.235 661 R C -0.273 176.151 176.300 0.206 0.000 1.362 661 R CA -1.028 55.148 56.100 0.126 0.000 1.067 661 R CB 0.899 31.257 30.300 0.097 0.000 1.396 661 R HN 0.081 nan 8.270 nan 0.000 0.504 662 E N 1.761 122.020 120.200 0.097 0.000 2.413 662 E HA -0.024 4.325 4.350 -0.001 0.000 0.263 662 E C -0.491 176.057 176.600 -0.087 0.000 1.015 662 E CA 0.021 56.424 56.400 0.005 0.000 0.916 662 E CB 0.531 30.196 29.700 -0.058 0.000 0.947 662 E HN 0.228 nan 8.360 nan 0.000 0.440 663 K N 3.344 123.470 120.400 -0.456 0.000 2.472 663 K HA -0.088 4.231 4.320 -0.001 0.000 0.280 663 K C -0.429 175.785 176.600 -0.643 0.000 1.028 663 K CA 0.362 55.912 56.287 -1.228 0.000 1.045 663 K CB 0.358 31.970 32.500 -1.480 0.000 0.902 663 K HN 0.646 nan 8.250 nan 0.000 0.478 664 D N 1.971 122.055 120.400 -0.526 0.000 2.620 664 D HA 0.010 4.649 4.640 -0.001 0.000 0.260 664 D C -0.008 176.186 176.300 -0.176 0.000 1.367 664 D CA -0.363 53.501 54.000 -0.227 0.000 0.805 664 D CB -0.015 40.750 40.800 -0.059 0.000 1.096 664 D HN 0.473 nan 8.370 nan 0.000 0.488 665 T N -2.779 111.615 114.554 -0.266 0.000 2.910 665 T HA 0.530 4.879 4.350 -0.001 0.000 0.279 665 T C -2.064 172.417 174.700 -0.364 0.000 0.989 665 T CA -1.455 60.477 62.100 -0.280 0.000 0.968 665 T CB 1.653 70.388 68.868 -0.220 0.000 1.135 665 T HN -0.331 nan 8.240 nan 0.000 0.562 666 P HA 0.227 nan 4.420 nan 0.000 0.255 666 P C -0.027 177.217 177.300 -0.095 0.000 1.248 666 P CA -0.084 62.821 63.100 -0.325 0.000 0.807 666 P CB -0.071 31.447 31.700 -0.303 0.000 1.150 667 D N -0.827 119.479 120.400 -0.156 0.000 2.474 667 D HA -0.132 4.508 4.640 -0.001 0.000 0.232 667 D C 0.117 176.536 176.300 0.199 0.000 1.177 667 D CA 0.315 54.456 54.000 0.235 0.000 0.876 667 D CB 0.333 41.335 40.800 0.337 0.000 1.208 667 D HN 0.023 nan 8.370 nan 0.000 0.464 668 W N 1.816 122.942 121.300 -0.289 0.000 3.438 668 W HA 0.410 5.069 4.660 -0.001 0.000 0.322 668 W C 0.837 176.744 176.519 -1.020 0.000 1.261 668 W CA -0.171 56.862 57.345 -0.521 0.000 1.788 668 W CB -0.507 28.602 29.460 -0.584 0.000 1.065 668 W HN 0.400 nan 8.180 nan 0.000 0.715 669 G N -0.488 107.565 108.800 -1.245 0.000 2.506 669 G HA2 0.395 4.354 3.960 -0.001 0.000 0.292 669 G HA3 0.395 4.354 3.960 -0.001 0.000 0.292 669 G C -3.096 171.040 174.900 -1.273 0.000 1.425 669 G CA -1.111 42.841 45.100 -1.914 0.000 0.788 669 G HN -0.408 nan 8.290 nan 0.000 0.490 670 P HA 0.274 nan 4.420 nan 0.000 0.274 670 P C -0.358 176.647 177.300 -0.493 0.000 1.246 670 P CA -0.275 62.400 63.100 -0.708 0.000 0.795 670 P CB 1.056 32.662 31.700 -0.156 0.000 1.006 671 R N 0.759 121.064 120.500 -0.325 0.000 2.641 671 R HA 0.192 4.531 4.340 -0.001 0.000 0.269 671 R C 1.878 178.077 176.300 -0.168 0.000 1.074 671 R CA -0.585 55.383 56.100 -0.221 0.000 1.133 671 R CB 0.126 30.348 30.300 -0.130 0.000 1.029 671 R HN 0.470 nan 8.270 nan 0.000 0.488 672 L N 1.877 123.005 121.223 -0.157 0.000 2.051 672 L HA -0.325 4.014 4.340 -0.001 0.000 0.214 672 L C 1.871 178.687 176.870 -0.090 0.000 1.076 672 L CA 2.334 57.097 54.840 -0.128 0.000 0.758 672 L CB -0.777 41.208 42.059 -0.123 0.000 0.890 672 L HN 0.775 nan 8.230 nan 0.000 0.433 673 N N -0.869 117.786 118.700 -0.075 0.000 2.520 673 N HA -0.184 4.555 4.740 -0.001 0.000 0.185 673 N C 1.046 176.534 175.510 -0.037 0.000 1.068 673 N CA 1.092 54.112 53.050 -0.048 0.000 0.911 673 N CB -0.363 38.103 38.487 -0.036 0.000 0.961 673 N HN 0.389 nan 8.380 nan 0.000 0.446 674 N N -0.962 117.711 118.700 -0.046 0.000 2.235 674 N HA 0.133 4.872 4.740 -0.001 0.000 0.209 674 N C -0.765 174.733 175.510 -0.020 0.000 1.122 674 N CA -0.134 52.900 53.050 -0.026 0.000 0.845 674 N CB 0.382 38.859 38.487 -0.016 0.000 1.004 674 N HN 0.309 nan 8.380 nan 0.000 0.499 675 Q N -0.160 119.620 119.800 -0.033 0.000 2.456 675 Q HA 0.446 4.785 4.340 -0.001 0.000 0.283 675 Q C -1.282 174.707 176.000 -0.018 0.000 1.084 675 Q CA -0.827 54.964 55.803 -0.019 0.000 0.801 675 Q CB 3.040 31.750 28.738 -0.046 0.000 1.434 675 Q HN -0.111 nan 8.270 nan 0.000 0.419 676 V N 1.336 121.249 119.914 -0.001 0.000 2.294 676 V HA 0.112 4.231 4.120 -0.001 0.000 0.272 676 V C -0.155 175.933 176.094 -0.009 0.000 1.027 676 V CA -0.270 62.027 62.300 -0.005 0.000 0.823 676 V CB 0.736 32.562 31.823 0.005 0.000 1.030 676 V HN 1.057 nan 8.190 nan 0.000 0.457 677 C N 5.217 124.501 119.300 -0.026 0.000 4.454 677 C HA -0.146 4.313 4.460 -0.001 0.000 0.298 677 C C 1.395 176.359 174.990 -0.042 0.000 1.384 677 C CA 0.647 59.645 59.018 -0.033 0.000 2.002 677 C CB -2.380 25.348 27.740 -0.020 0.000 1.249 677 C HN 1.094 nan 8.230 nan 0.000 0.783 678 R N -1.650 118.812 120.500 -0.063 0.000 3.641 678 R HA -0.208 4.131 4.340 -0.001 0.000 0.286 678 R C -0.122 176.139 176.300 -0.065 0.000 1.153 678 R CA 1.457 57.496 56.100 -0.103 0.000 0.775 678 R CB -1.058 29.160 30.300 -0.136 0.000 1.215 678 R HN 0.755 nan 8.270 nan 0.000 0.474 679 K N 0.116 120.527 120.400 0.018 0.000 2.375 679 K HA 0.653 4.972 4.320 -0.001 0.000 0.249 679 K C 0.349 177.076 176.600 0.211 0.000 0.942 679 K CA -0.130 56.237 56.287 0.133 0.000 0.806 679 K CB 2.184 34.743 32.500 0.099 0.000 1.227 679 K HN 0.230 nan 8.250 nan 0.000 0.430 680 G N 1.014 110.062 108.800 0.413 0.000 2.781 680 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.683 680 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.683 680 G C -0.438 174.697 174.900 0.391 0.000 1.390 680 G CA -0.938 44.407 45.100 0.408 0.000 0.850 680 G HN 0.408 nan 8.290 nan 0.000 0.557 681 L N 0.018 121.375 121.223 0.223 0.000 2.470 681 L HA 0.292 4.631 4.340 -0.001 0.000 0.243 681 L C 2.299 179.195 176.870 0.043 0.000 1.227 681 L CA 0.291 55.148 54.840 0.028 0.000 0.824 681 L CB 0.318 42.270 42.059 -0.179 0.000 1.175 681 L HN 0.888 nan 8.230 nan 0.000 0.503 682 Q N 0.081 119.879 119.800 -0.004 0.000 2.297 682 Q HA -0.072 4.267 4.340 -0.001 0.000 0.204 682 Q C 0.561 176.570 176.000 0.015 0.000 0.962 682 Q CA 0.753 56.576 55.803 0.034 0.000 0.879 682 Q CB 0.029 28.821 28.738 0.090 0.000 0.947 682 Q HN 0.828 nan 8.270 nan 0.000 0.462 683 T N -1.944 112.617 114.554 0.011 0.000 2.908 683 T HA -0.027 4.322 4.350 -0.001 0.000 0.325 683 T C 1.017 175.723 174.700 0.011 0.000 1.092 683 T CA 0.321 62.433 62.100 0.020 0.000 1.125 683 T CB 1.000 69.891 68.868 0.038 0.000 1.016 683 T HN 0.094 nan 8.240 nan 0.000 0.550 684 T N 1.963 116.519 114.554 0.002 0.000 2.653 684 T HA -0.183 4.166 4.350 -0.001 0.000 0.268 684 T C 2.171 176.853 174.700 -0.031 0.000 1.035 684 T CA 2.355 64.448 62.100 -0.011 0.000 1.154 684 T CB -0.917 67.943 68.868 -0.012 0.000 0.862 684 T HN 1.015 nan 8.240 nan 0.000 0.441 685 T N -1.506 113.005 114.554 -0.072 0.000 3.113 685 T HA 0.355 4.704 4.350 -0.001 0.000 0.256 685 T C 1.800 176.502 174.700 0.003 0.000 1.131 685 T CA 0.947 62.995 62.100 -0.086 0.000 1.074 685 T CB -0.163 68.554 68.868 -0.252 0.000 0.944 685 T HN 0.571 nan 8.240 nan 0.000 0.516 686 G N 1.335 110.158 108.800 0.038 0.000 2.184 686 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.264 686 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.264 686 G C 0.030 175.039 174.900 0.182 0.000 0.975 686 G CA 0.608 45.769 45.100 0.102 0.000 0.642 686 G HN 0.712 nan 8.290 nan 0.000 0.536 687 K N -0.783 119.709 120.400 0.153 0.000 2.303 687 K HA 0.706 5.026 4.320 -0.001 0.000 0.233 687 K C -0.041 176.684 176.600 0.208 0.000 1.046 687 K CA -1.003 55.432 56.287 0.246 0.000 0.895 687 K CB 1.942 34.569 32.500 0.213 0.000 1.220 687 K HN -0.008 nan 8.250 nan 0.000 0.470 688 V N 2.461 122.537 119.914 0.270 0.000 2.405 688 V HA 0.032 4.151 4.120 -0.001 0.000 0.264 688 V C -0.281 175.944 176.094 0.219 0.000 1.048 688 V CA -0.008 62.404 62.300 0.188 0.000 0.966 688 V CB 0.141 32.084 31.823 0.200 0.000 1.015 688 V HN 0.586 nan 8.190 nan 0.000 0.477 689 E N 4.704 124.987 120.200 0.139 0.000 2.001 689 E HA 0.214 4.564 4.350 -0.001 0.000 0.279 689 E C -0.038 176.607 176.600 0.075 0.000 1.045 689 E CA -0.223 56.319 56.400 0.238 0.000 0.833 689 E CB 0.561 30.407 29.700 0.244 0.000 1.077 689 E HN 0.604 nan 8.360 nan 0.000 0.397 690 F N 1.624 121.594 119.950 0.034 0.000 2.365 690 F HA 0.015 4.542 4.527 -0.001 0.000 0.300 690 F C 0.992 176.796 175.800 0.007 0.000 1.090 690 F CA 0.707 58.640 58.000 -0.112 0.000 1.408 690 F CB 0.242 39.127 39.000 -0.193 0.000 1.060 690 F HN 0.342 nan 8.300 nan 0.000 0.534 691 I N 0.379 121.085 120.570 0.226 0.000 2.495 691 I HA 0.321 4.490 4.170 -0.001 0.000 0.277 691 I C -0.142 176.104 176.117 0.214 0.000 1.045 691 I CA -0.883 60.524 61.300 0.179 0.000 1.135 691 I CB 0.895 38.970 38.000 0.126 0.000 1.241 691 I HN -0.194 nan 8.210 nan 0.000 0.469 692 A N 3.998 126.912 122.820 0.158 0.000 2.492 692 A HA 0.254 4.574 4.320 -0.001 0.000 0.254 692 A C 1.499 179.180 177.584 0.162 0.000 1.091 692 A CA 0.198 52.330 52.037 0.160 0.000 0.768 692 A CB 0.146 19.225 19.000 0.131 0.000 1.028 692 A HN 0.851 nan 8.150 nan 0.000 0.498 693 T N 0.677 115.330 114.554 0.166 0.000 2.777 693 T HA -0.203 4.146 4.350 -0.001 0.000 0.266 693 T C 2.033 176.803 174.700 0.116 0.000 1.040 693 T CA 1.742 63.926 62.100 0.140 0.000 1.141 693 T CB -0.848 68.076 68.868 0.092 0.000 0.868 693 T HN 1.089 nan 8.240 nan 0.000 0.444 694 S N 2.742 118.511 115.700 0.116 0.000 2.359 694 S HA -0.042 4.427 4.470 -0.001 0.000 0.224 694 S C 2.123 176.765 174.600 0.070 0.000 1.035 694 S CA 1.212 59.477 58.200 0.110 0.000 1.018 694 S CB -1.146 62.164 63.200 0.184 0.000 0.876 694 S HN 0.508 nan 8.310 nan 0.000 0.448 695 L N 1.138 122.367 121.223 0.009 0.000 2.275 695 L HA 0.062 4.401 4.340 -0.001 0.000 0.215 695 L C 2.832 179.777 176.870 0.125 0.000 1.119 695 L CA 1.185 56.022 54.840 -0.005 0.000 0.790 695 L CB -0.400 41.603 42.059 -0.094 0.000 0.919 695 L HN 0.400 nan 8.230 nan 0.000 0.443 696 K N 0.552 121.021 120.400 0.116 0.000 2.116 696 K HA -0.103 4.216 4.320 -0.001 0.000 0.203 696 K C 1.677 178.353 176.600 0.126 0.000 1.052 696 K CA 1.070 57.428 56.287 0.118 0.000 0.952 696 K CB 0.087 32.657 32.500 0.116 0.000 0.729 696 K HN 0.397 nan 8.250 nan 0.000 0.446 697 N N -0.218 118.563 118.700 0.136 0.000 2.106 697 N HA -0.157 4.582 4.740 -0.001 0.000 0.188 697 N C 1.655 177.279 175.510 0.191 0.000 1.029 697 N CA 0.952 54.085 53.050 0.138 0.000 0.848 697 N CB -0.160 38.403 38.487 0.127 0.000 1.007 697 N HN 0.052 nan 8.380 nan 0.000 0.423 698 F N 2.707 122.667 119.950 0.017 0.000 2.065 698 F HA -0.214 4.312 4.527 -0.001 0.000 0.298 698 F C 2.378 178.237 175.800 0.098 0.000 1.112 698 F CA 1.641 59.642 58.000 0.002 0.000 1.212 698 F CB -0.432 38.511 39.000 -0.096 0.000 0.975 698 F HN 0.142 nan 8.300 nan 0.000 0.476 699 E N -0.564 119.707 120.200 0.119 0.000 2.150 699 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 699 E C 1.737 178.334 176.600 -0.004 0.000 0.985 699 E CA 1.555 57.961 56.400 0.010 0.000 0.814 699 E CB -0.803 28.938 29.700 0.068 0.000 0.752 699 E HN 0.563 nan 8.360 nan 0.000 0.466 700 E N 0.629 120.852 120.200 0.038 0.000 2.482 700 E HA -0.081 4.269 4.350 -0.001 0.000 0.196 700 E C 1.539 178.143 176.600 0.007 0.000 1.047 700 E CA 0.351 56.764 56.400 0.023 0.000 0.869 700 E CB 0.095 29.822 29.700 0.044 0.000 0.836 700 E HN 0.383 nan 8.360 nan 0.000 0.520 701 Q N -0.804 119.009 119.800 0.022 0.000 2.360 701 Q HA 0.096 4.435 4.340 -0.001 0.000 0.202 701 Q C 0.945 176.861 176.000 -0.139 0.000 0.915 701 Q CA 0.394 56.211 55.803 0.023 0.000 0.943 701 Q CB 1.008 29.847 28.738 0.167 0.000 1.064 701 Q HN 0.371 nan 8.270 nan 0.000 0.511 702 G N -0.041 108.636 108.800 -0.205 0.000 2.201 702 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.212 702 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.212 702 G C -0.334 174.252 174.900 -0.522 0.000 0.994 702 G CA -0.582 44.306 45.100 -0.354 0.000 0.644 702 G HN 0.325 nan 8.290 nan 0.000 0.508 703 Y N 2.410 122.396 120.300 -0.523 0.000 2.636 703 Y HA 0.463 5.012 4.550 -0.001 0.000 0.334 703 Y C 1.103 176.771 175.900 -0.387 0.000 1.286 703 Y CA -1.043 56.582 58.100 -0.791 0.000 1.688 703 Y CB -0.013 37.154 38.460 -2.154 0.000 1.662 703 Y HN 0.071 nan 8.280 nan 0.000 0.465 704 I N 2.502 123.075 120.570 0.005 0.000 2.618 704 I HA 0.029 4.198 4.170 -0.001 0.000 0.284 704 I C 0.143 176.418 176.117 0.262 0.000 1.146 704 I CA 0.232 61.592 61.300 0.101 0.000 1.425 704 I CB 0.701 38.733 38.000 0.052 0.000 1.383 704 I HN 0.472 nan 8.210 nan 0.000 0.562 705 D N 5.083 125.627 120.400 0.240 0.000 2.319 705 D HA 0.055 4.694 4.640 -0.001 0.000 0.237 705 D C 0.727 177.149 176.300 0.204 0.000 1.353 705 D CA -0.346 53.821 54.000 0.278 0.000 0.992 705 D CB 0.801 41.871 40.800 0.450 0.000 1.368 705 D HN 0.664 nan 8.370 nan 0.000 0.564 706 E N 1.587 121.887 120.200 0.167 0.000 2.209 706 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 706 E C 0.184 176.783 176.600 -0.002 0.000 0.993 706 E CA 1.177 57.625 56.400 0.080 0.000 0.819 706 E CB 0.167 29.909 29.700 0.070 0.000 0.745 706 E HN 0.486 nan 8.360 nan 0.000 0.477 707 H N -0.895 118.248 119.070 0.122 0.000 2.517 707 H HA 0.285 4.840 4.556 -0.001 0.000 0.282 707 H C 0.127 175.549 175.328 0.156 0.000 1.023 707 H CA 0.196 56.336 56.048 0.153 0.000 1.169 707 H CB 0.462 30.352 29.762 0.213 0.000 1.454 707 H HN -0.105 nan 8.280 nan 0.000 0.556 708 R N 1.389 122.019 120.500 0.216 0.000 2.640 708 R HA 0.145 4.484 4.340 -0.001 0.000 0.240 708 R C -3.075 173.316 176.300 0.153 0.000 1.519 708 R CA -1.461 54.755 56.100 0.193 0.000 1.570 708 R CB 0.570 31.010 30.300 0.234 0.000 1.446 708 R HN 0.107 nan 8.270 nan 0.000 0.738 709 P HA 0.008 nan 4.420 nan 0.000 0.269 709 P C 0.688 178.041 177.300 0.087 0.000 1.215 709 P CA 0.184 63.335 63.100 0.084 0.000 0.780 709 P CB 1.360 33.083 31.700 0.038 0.000 0.898 710 S N 2.319 118.068 115.700 0.082 0.000 2.382 710 S HA -0.127 4.342 4.470 -0.001 0.000 0.228 710 S C 1.137 175.796 174.600 0.098 0.000 1.027 710 S CA 0.675 58.925 58.200 0.083 0.000 0.991 710 S CB -0.505 62.749 63.200 0.090 0.000 0.823 710 S HN 0.603 nan 8.310 nan 0.000 0.469 711 M N 2.591 122.249 119.600 0.096 0.000 2.157 711 M HA 0.273 4.752 4.480 -0.001 0.000 0.354 711 M C -0.427 175.982 176.300 0.182 0.000 1.170 711 M CA -0.676 54.709 55.300 0.142 0.000 1.060 711 M CB 0.849 33.514 32.600 0.109 0.000 1.615 711 M HN 0.372 nan 8.290 nan 0.000 0.460 712 H N 4.455 123.621 119.070 0.160 0.000 3.145 712 H HA 0.225 4.780 4.556 -0.002 0.000 0.288 712 H C -0.843 174.791 175.328 0.509 0.000 0.969 712 H CA 1.102 57.296 56.048 0.244 0.000 1.444 712 H CB 0.204 30.019 29.762 0.087 0.000 1.500 712 H HN 0.761 nan 8.280 nan 0.000 0.552 713 T N 1.577 116.221 114.554 0.151 0.000 2.696 713 T HA 0.166 4.516 4.350 -0.001 0.000 0.291 713 T C -0.862 173.987 174.700 0.247 0.000 1.095 713 T CA -1.007 61.069 62.100 -0.041 0.000 1.026 713 T CB 0.443 69.007 68.868 -0.507 0.000 1.390 713 T HN 0.448 nan 8.240 nan 0.000 0.513 714 Y N 1.852 122.135 120.300 -0.029 0.000 2.632 714 Y HA 0.523 5.072 4.550 -0.002 0.000 0.336 714 Y C -0.484 175.533 175.900 0.196 0.000 1.237 714 Y CA -1.141 57.057 58.100 0.164 0.000 1.595 714 Y CB -0.533 37.897 38.460 -0.050 0.000 1.508 714 Y HN 0.507 nan 8.280 nan 0.000 0.480 715 V N 8.505 128.390 119.914 -0.049 0.000 2.408 715 V HA 0.212 4.332 4.120 -0.001 0.000 0.267 715 V C -1.981 173.937 176.094 -0.293 0.000 1.047 715 V CA -1.950 60.261 62.300 -0.148 0.000 0.937 715 V CB 0.567 32.357 31.823 -0.055 0.000 0.999 715 V HN 0.630 nan 8.190 nan 0.000 0.472 716 P HA 0.110 nan 4.420 nan 0.000 0.264 716 P C -0.118 177.098 177.300 -0.141 0.000 1.193 716 P CA 0.119 62.892 63.100 -0.546 0.000 0.763 716 P CB 0.479 31.696 31.700 -0.804 0.000 0.810 717 A N 5.388 128.180 122.820 -0.048 0.000 2.515 717 A HA -0.005 4.315 4.320 -0.001 0.000 0.263 717 A C 1.416 179.026 177.584 0.043 0.000 1.096 717 A CA -0.452 51.562 52.037 -0.040 0.000 0.769 717 A CB -0.532 18.409 19.000 -0.099 0.000 1.040 717 A HN 0.834 nan 8.150 nan 0.000 0.505 718 W N 1.923 123.308 121.300 0.143 0.000 2.387 718 W HA -0.071 4.588 4.660 -0.001 0.000 0.272 718 W C 0.191 176.759 176.519 0.082 0.000 1.224 718 W CA 0.844 58.256 57.345 0.112 0.000 1.210 718 W CB -0.244 29.213 29.460 -0.006 0.000 1.125 718 W HN 0.723 nan 8.180 nan 0.000 0.572 719 E N 2.101 122.283 120.200 -0.030 0.000 2.683 719 E HA 0.240 4.590 4.350 -0.001 0.000 0.224 719 E C -0.652 175.913 176.600 -0.060 0.000 1.046 719 E CA -0.208 56.205 56.400 0.022 0.000 0.811 719 E CB 0.487 30.144 29.700 -0.071 0.000 1.296 719 E HN 0.074 nan 8.360 nan 0.000 0.421 720 S N 1.497 117.221 115.700 0.040 0.000 2.627 720 S HA 0.246 4.715 4.470 -0.001 0.000 0.283 720 S C 0.812 175.432 174.600 0.033 0.000 1.127 720 S CA -0.815 57.398 58.200 0.022 0.000 0.863 720 S CB 1.603 64.859 63.200 0.093 0.000 1.121 720 S HN 0.387 nan 8.310 nan 0.000 0.479 721 Q N 0.735 120.531 119.800 -0.006 0.000 2.167 721 Q HA -0.090 4.249 4.340 -0.001 0.000 0.202 721 Q C 1.616 177.577 176.000 -0.064 0.000 0.970 721 Q CA 1.566 57.355 55.803 -0.024 0.000 0.855 721 Q CB -0.356 28.361 28.738 -0.036 0.000 0.911 721 Q HN 0.862 nan 8.270 nan 0.000 0.438 722 K N -1.240 119.075 120.400 -0.141 0.000 2.355 722 K HA 0.072 4.391 4.320 -0.001 0.000 0.198 722 K C 0.747 177.105 176.600 -0.402 0.000 1.039 722 K CA 0.281 56.397 56.287 -0.284 0.000 1.075 722 K CB 0.505 32.773 32.500 -0.388 0.000 0.870 722 K HN 0.155 nan 8.250 nan 0.000 0.540 723 H N 0.065 119.169 119.070 0.057 0.000 2.784 723 H HA 0.206 4.761 4.556 -0.001 0.000 0.273 723 H C -0.461 174.931 175.328 0.107 0.000 1.112 723 H CA -0.174 55.927 56.048 0.087 0.000 1.162 723 H CB 1.205 31.030 29.762 0.106 0.000 1.586 723 H HN 0.107 nan 8.280 nan 0.000 0.548 724 S N 1.375 117.169 115.700 0.156 0.000 2.473 724 S HA 0.308 4.777 4.470 -0.001 0.000 0.307 724 S C -1.887 172.769 174.600 0.094 0.000 1.094 724 S CA -1.465 56.827 58.200 0.152 0.000 1.070 724 S CB 1.834 65.133 63.200 0.164 0.000 1.019 724 S HN -0.123 nan 8.310 nan 0.000 0.480 725 P HA 0.001 nan 4.420 nan 0.000 0.222 725 P C 1.263 178.584 177.300 0.035 0.000 1.147 725 P CA 0.291 63.421 63.100 0.051 0.000 0.790 725 P CB 0.141 31.872 31.700 0.053 0.000 0.780 726 L N -0.375 120.893 121.223 0.075 0.000 2.261 726 L HA -0.097 4.242 4.340 -0.001 0.000 0.216 726 L C 2.170 179.063 176.870 0.039 0.000 1.114 726 L CA 1.362 56.261 54.840 0.098 0.000 0.777 726 L CB -1.621 40.558 42.059 0.200 0.000 0.910 726 L HN -0.075 nan 8.230 nan 0.000 0.440 727 A N -1.720 121.118 122.820 0.029 0.000 2.172 727 A HA -0.069 4.250 4.320 -0.001 0.000 0.216 727 A C 2.269 179.813 177.584 -0.068 0.000 1.154 727 A CA 1.190 53.226 52.037 -0.002 0.000 0.701 727 A CB -0.548 18.453 19.000 0.002 0.000 0.789 727 A HN 0.227 nan 8.150 nan 0.000 0.465 728 V N -0.133 119.723 119.914 -0.096 0.000 2.427 728 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 728 V C 2.336 178.314 176.094 -0.194 0.000 1.051 728 V CA 2.317 64.549 62.300 -0.113 0.000 1.048 728 V CB -0.475 31.295 31.823 -0.089 0.000 0.666 728 V HN 0.560 nan 8.190 nan 0.000 0.456 729 K N -1.271 118.898 120.400 -0.385 0.000 2.242 729 K HA 0.085 4.404 4.320 -0.001 0.000 0.200 729 K C -0.194 175.976 176.600 -0.718 0.000 1.050 729 K CA 0.497 56.395 56.287 -0.650 0.000 0.981 729 K CB 0.304 32.140 32.500 -1.106 0.000 0.795 729 K HN 0.462 nan 8.250 nan 0.000 0.477 730 Y N 0.958 121.220 120.300 -0.063 0.000 2.863 730 Y HA 0.227 4.776 4.550 -0.002 0.000 0.348 730 Y C -2.092 173.763 175.900 -0.075 0.000 1.028 730 Y CA -3.132 54.900 58.100 -0.113 0.000 1.213 730 Y CB 0.788 39.170 38.460 -0.131 0.000 1.120 730 Y HN -0.016 nan 8.280 nan 0.000 0.598 731 P HA -0.049 nan 4.420 nan 0.000 0.233 731 P C 0.039 177.342 177.300 0.004 0.000 1.167 731 P CA 0.791 63.890 63.100 -0.001 0.000 0.770 731 P CB 0.926 32.616 31.700 -0.017 0.000 0.837 732 L N 0.442 121.671 121.223 0.010 0.000 2.290 732 L HA 0.429 4.768 4.340 -0.001 0.000 0.284 732 L C 1.093 177.958 176.870 -0.007 0.000 1.078 732 L CA -0.698 54.140 54.840 -0.003 0.000 0.815 732 L CB 1.001 43.053 42.059 -0.012 0.000 1.162 732 L HN -0.093 nan 8.230 nan 0.000 0.435 733 G N 4.250 113.043 108.800 -0.011 0.000 2.353 733 G HA2 0.507 4.466 3.960 -0.001 0.000 0.284 733 G HA3 0.507 4.466 3.960 -0.001 0.000 0.284 733 G C -0.685 174.201 174.900 -0.023 0.000 1.172 733 G CA -0.462 44.626 45.100 -0.020 0.000 0.854 733 G HN 0.584 nan 8.290 nan 0.000 0.485 734 M N 3.668 123.245 119.600 -0.038 0.000 2.321 734 M HA 0.643 5.122 4.480 -0.001 0.000 0.315 734 M C -1.029 175.236 176.300 -0.057 0.000 1.052 734 M CA -1.017 54.254 55.300 -0.047 0.000 0.936 734 M CB 1.763 34.326 32.600 -0.062 0.000 1.639 734 M HN 0.488 nan 8.290 nan 0.000 0.433 735 L N 3.003 124.187 121.223 -0.066 0.000 2.334 735 L HA 0.879 5.218 4.340 -0.001 0.000 0.276 735 L C -0.804 175.955 176.870 -0.185 0.000 1.014 735 L CA -0.542 54.255 54.840 -0.073 0.000 0.815 735 L CB 2.056 44.113 42.059 -0.004 0.000 1.268 735 L HN 0.786 nan 8.230 nan 0.000 0.428 736 S N 1.218 116.845 115.700 -0.121 0.000 2.259 736 S HA 0.591 5.060 4.470 -0.001 0.000 0.181 736 S C -2.642 171.987 174.600 0.049 0.000 1.589 736 S CA -1.086 57.043 58.200 -0.119 0.000 1.234 736 S CB 0.529 63.703 63.200 -0.043 0.000 1.119 736 S HN 0.553 nan 8.310 nan 0.000 0.458 737 P HA 0.219 nan 4.420 nan 0.000 0.293 737 P C -0.181 177.406 177.300 0.478 0.000 1.298 737 P CA -0.469 62.831 63.100 0.335 0.000 0.757 737 P CB 0.266 32.201 31.700 0.392 0.000 1.262 738 H N 0.353 119.476 119.070 0.089 0.000 2.764 738 H HA 0.113 4.669 4.556 -0.002 0.000 0.341 738 H C -1.665 173.384 175.328 -0.465 0.000 1.072 738 H CA -1.765 54.215 56.048 -0.114 0.000 1.444 738 H CB -0.175 29.455 29.762 -0.220 0.000 1.458 738 H HN 0.333 nan 8.280 nan 0.000 0.572 739 P HA -0.085 nan 4.420 nan 0.000 0.261 739 P C 0.591 177.523 177.300 -0.613 0.000 1.183 739 P CA 0.017 62.804 63.100 -0.521 0.000 0.761 739 P CB 1.039 32.740 31.700 0.002 0.000 0.785 740 R N 4.197 124.176 120.500 -0.868 0.000 2.066 740 R HA -0.059 4.280 4.340 -0.001 0.000 0.232 740 R C 0.938 176.876 176.300 -0.604 0.000 1.131 740 R CA 1.784 57.461 56.100 -0.706 0.000 0.955 740 R CB -0.989 28.825 30.300 -0.810 0.000 0.851 740 R HN 0.439 nan 8.270 nan 0.000 0.432 741 F N -0.006 119.920 119.950 -0.041 0.000 2.925 741 F HA 0.468 4.995 4.527 -0.001 0.000 0.302 741 F C -0.061 175.756 175.800 0.029 0.000 1.189 741 F CA -0.247 57.742 58.000 -0.018 0.000 1.346 741 F CB 0.453 39.344 39.000 -0.182 0.000 0.954 741 F HN -0.049 nan 8.300 nan 0.000 0.506 742 S N 0.677 116.465 115.700 0.148 0.000 2.565 742 S HA 0.413 4.882 4.470 -0.001 0.000 0.274 742 S C -1.218 172.980 174.600 -0.668 0.000 1.144 742 S CA -0.737 57.374 58.200 -0.148 0.000 0.849 742 S CB 1.165 64.353 63.200 -0.021 0.000 1.103 742 S HN 0.052 nan 8.310 nan 0.000 0.455 743 M N 5.448 124.407 119.600 -1.068 0.000 2.664 743 M HA 0.320 4.799 4.480 -0.001 0.000 0.332 743 M C 0.370 176.425 176.300 -0.409 0.000 1.354 743 M CA 0.784 55.543 55.300 -0.901 0.000 1.399 743 M CB -1.744 30.374 32.600 -0.802 0.000 1.224 743 M HN 0.950 nan 8.290 nan 0.000 0.479 744 H N 0.173 119.078 119.070 -0.275 0.000 1.452 744 H HA -0.266 4.289 4.556 -0.001 0.000 0.090 744 H C 1.316 176.567 175.328 -0.128 0.000 0.910 744 H CA 2.511 58.450 56.048 -0.182 0.000 1.901 744 H CB -1.431 28.239 29.762 -0.152 0.000 2.257 744 H HN 0.613 nan 8.280 nan 0.000 0.961 745 T N 0.222 114.806 114.554 0.051 0.000 2.995 745 T HA 0.033 4.382 4.350 -0.001 0.000 0.269 745 T C 1.435 176.072 174.700 -0.106 0.000 1.091 745 T CA 1.380 63.455 62.100 -0.042 0.000 1.128 745 T CB -0.194 68.636 68.868 -0.063 0.000 0.891 745 T HN 0.299 nan 8.240 nan 0.000 0.492 746 M N 2.127 121.674 119.600 -0.089 0.000 3.042 746 M HA 0.436 4.915 4.480 -0.001 0.000 0.283 746 M C 1.312 177.519 176.300 -0.155 0.000 1.473 746 M CA 0.297 55.518 55.300 -0.133 0.000 1.583 746 M CB -0.006 32.618 32.600 0.040 0.000 1.221 746 M HN 0.601 nan 8.290 nan 0.000 0.518 747 G N 0.866 109.538 108.800 -0.212 0.000 4.373 747 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.195 747 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.195 747 G C -0.225 174.597 174.900 -0.130 0.000 1.377 747 G CA -0.583 44.443 45.100 -0.124 0.000 0.858 747 G HN 0.527 nan 8.290 nan 0.000 0.307 748 D N 1.034 121.421 120.400 -0.021 0.000 2.354 748 D HA 0.460 5.100 4.640 -0.001 0.000 0.238 748 D C 1.485 177.759 176.300 -0.043 0.000 1.250 748 D CA 2.194 56.279 54.000 0.141 0.000 0.911 748 D CB 0.298 41.304 40.800 0.343 0.000 1.163 748 D HN 1.404 nan 8.370 nan 0.000 0.456 749 G N 1.393 110.192 108.800 -0.003 0.000 2.574 749 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.295 749 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.295 749 G C 0.128 174.910 174.900 -0.197 0.000 1.300 749 G CA 0.643 45.677 45.100 -0.111 0.000 0.944 749 G HN 0.923 nan 8.290 nan 0.000 0.551 750 K N -1.166 119.109 120.400 -0.208 0.000 3.193 750 K HA -0.341 3.978 4.320 -0.001 0.000 0.294 750 K C 0.681 177.187 176.600 -0.157 0.000 1.185 750 K CA 1.278 57.420 56.287 -0.242 0.000 0.866 750 K CB -1.639 30.511 32.500 -0.583 0.000 1.227 750 K HN 1.893 nan 8.250 nan 0.000 0.467 751 N N 0.170 118.796 118.700 -0.123 0.000 2.727 751 N HA -0.202 4.537 4.740 -0.001 0.000 0.249 751 N C -0.141 175.313 175.510 -0.094 0.000 1.048 751 N CA 1.053 54.051 53.050 -0.086 0.000 0.714 751 N CB -0.556 37.924 38.487 -0.011 0.000 0.959 751 N HN 0.618 nan 8.380 nan 0.000 0.544 752 S N -1.206 114.396 115.700 -0.162 0.000 2.686 752 S HA 0.347 4.816 4.470 -0.001 0.000 0.270 752 S C 1.154 175.758 174.600 0.006 0.000 1.194 752 S CA -0.437 57.646 58.200 -0.195 0.000 0.990 752 S CB 0.459 63.508 63.200 -0.252 0.000 1.029 752 S HN 0.168 nan 8.310 nan 0.000 0.560 753 Y N -0.228 120.089 120.300 0.028 0.000 2.395 753 Y HA 0.121 4.670 4.550 -0.001 0.000 0.293 753 Y C 2.259 178.187 175.900 0.047 0.000 1.123 753 Y CA 0.196 58.385 58.100 0.149 0.000 1.227 753 Y CB -1.196 37.319 38.460 0.093 0.000 1.012 753 Y HN 0.449 nan 8.280 nan 0.000 0.552 754 M N -0.018 119.617 119.600 0.058 0.000 2.446 754 M HA -0.162 4.317 4.480 -0.001 0.000 0.263 754 M C 1.431 177.607 176.300 -0.206 0.000 1.066 754 M CA 1.039 56.262 55.300 -0.130 0.000 1.087 754 M CB -0.624 31.844 32.600 -0.220 0.000 1.406 754 M HN 0.137 nan 8.290 nan 0.000 0.459 755 N N -1.016 117.580 118.700 -0.174 0.000 2.550 755 N HA -0.071 4.668 4.740 -0.001 0.000 0.186 755 N C 0.546 175.834 175.510 -0.370 0.000 1.110 755 N CA 0.940 53.870 53.050 -0.200 0.000 0.912 755 N CB 0.017 38.268 38.487 -0.393 0.000 0.968 755 N HN 0.507 nan 8.380 nan 0.000 0.448 756 Y N 0.285 120.579 120.300 -0.010 0.000 2.468 756 Y HA 0.336 4.886 4.550 -0.001 0.000 0.268 756 Y C 0.760 176.597 175.900 -0.105 0.000 1.177 756 Y CA -0.399 57.674 58.100 -0.045 0.000 1.265 756 Y CB 0.324 38.757 38.460 -0.045 0.000 1.103 756 Y HN -0.127 nan 8.280 nan 0.000 0.522 757 I N 1.331 121.845 120.570 -0.093 0.000 2.471 757 I HA -0.029 4.140 4.170 -0.001 0.000 0.286 757 I C 1.142 177.130 176.117 -0.215 0.000 1.079 757 I CA 0.089 61.227 61.300 -0.270 0.000 1.398 757 I CB 1.270 38.859 38.000 -0.686 0.000 1.403 757 I HN 0.222 nan 8.210 nan 0.000 0.530 758 K N 3.123 123.426 120.400 -0.161 0.000 2.089 758 K HA -0.230 4.089 4.320 -0.001 0.000 0.210 758 K C 0.827 177.382 176.600 -0.075 0.000 1.048 758 K CA 1.665 57.899 56.287 -0.088 0.000 0.926 758 K CB -0.090 32.376 32.500 -0.057 0.000 0.714 758 K HN 0.564 nan 8.250 nan 0.000 0.448 759 D N -0.790 119.555 120.400 -0.092 0.000 2.395 759 D HA -0.009 4.630 4.640 -0.001 0.000 0.226 759 D C 0.830 177.209 176.300 0.130 0.000 1.146 759 D CA 0.183 54.223 54.000 0.066 0.000 0.830 759 D CB 0.253 41.208 40.800 0.259 0.000 0.958 759 D HN 0.222 nan 8.370 nan 0.000 0.501 760 H N -0.618 118.338 119.070 -0.191 0.000 2.311 760 H HA 0.453 5.009 4.556 -0.002 0.000 0.289 760 H C 0.021 175.207 175.328 -0.235 0.000 1.022 760 H CA 0.645 56.581 56.048 -0.187 0.000 1.416 760 H CB 0.608 30.199 29.762 -0.286 0.000 1.480 760 H HN -0.188 nan 8.280 nan 0.000 0.609 761 R N -0.027 120.325 120.500 -0.246 0.000 2.795 761 R HA 0.565 4.904 4.340 -0.001 0.000 0.275 761 R C -1.552 174.703 176.300 -0.075 0.000 0.981 761 R CA -1.072 54.899 56.100 -0.215 0.000 0.917 761 R CB 3.108 33.286 30.300 -0.204 0.000 1.202 761 R HN 0.029 nan 8.270 nan 0.000 0.469 762 V N 1.641 121.556 119.914 0.003 0.000 2.407 762 V HA 0.194 4.314 4.120 -0.001 0.000 0.291 762 V C -0.199 175.976 176.094 0.135 0.000 1.018 762 V CA -0.744 61.589 62.300 0.055 0.000 0.842 762 V CB 1.417 33.275 31.823 0.057 0.000 0.996 762 V HN 0.720 nan 8.190 nan 0.000 0.426 763 E N 3.984 124.246 120.200 0.103 0.000 2.299 763 E HA 0.410 4.759 4.350 -0.001 0.000 0.272 763 E C -1.229 175.487 176.600 0.193 0.000 1.043 763 E CA -0.124 56.362 56.400 0.144 0.000 0.895 763 E CB 1.080 30.840 29.700 0.100 0.000 1.011 763 E HN 0.500 nan 8.360 nan 0.000 0.432 764 V N 5.827 125.928 119.914 0.313 0.000 2.462 764 V HA 0.127 4.246 4.120 -0.001 0.000 0.288 764 V C -0.735 175.545 176.094 0.310 0.000 1.020 764 V CA -0.741 61.713 62.300 0.257 0.000 0.857 764 V CB 1.602 33.525 31.823 0.166 0.000 1.013 764 V HN 0.934 nan 8.190 nan 0.000 0.431 765 D N 4.246 124.766 120.400 0.199 0.000 2.716 765 D HA -0.179 4.460 4.640 -0.001 0.000 0.239 765 D C 1.263 177.686 176.300 0.205 0.000 1.125 765 D CA 1.564 55.671 54.000 0.178 0.000 0.681 765 D CB -0.955 39.950 40.800 0.174 0.000 1.070 765 D HN 1.446 nan 8.370 nan 0.000 0.432 766 G N -0.520 108.391 108.800 0.184 0.000 2.179 766 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.260 766 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.260 766 G C -0.100 174.919 174.900 0.200 0.000 0.977 766 G CA 0.606 45.806 45.100 0.166 0.000 0.641 766 G HN 0.562 nan 8.290 nan 0.000 0.533 767 Y N 0.806 121.161 120.300 0.091 0.000 2.425 767 Y HA 0.608 5.157 4.550 -0.002 0.000 0.344 767 Y C -0.033 175.824 175.900 -0.072 0.000 0.969 767 Y CA -1.254 56.809 58.100 -0.063 0.000 1.052 767 Y CB 1.340 39.667 38.460 -0.221 0.000 1.215 767 Y HN 0.015 nan 8.280 nan 0.000 0.451 768 K N 6.358 126.387 120.400 -0.619 0.000 2.250 768 K HA 0.214 4.533 4.320 -0.001 0.000 0.280 768 K C -1.577 174.814 176.600 -0.349 0.000 1.098 768 K CA -0.320 55.766 56.287 -0.334 0.000 0.916 768 K CB 0.434 32.739 32.500 -0.325 0.000 1.209 768 K HN 0.507 nan 8.250 nan 0.000 0.461 769 Y N 1.448 121.766 120.300 0.031 0.000 2.299 769 Y HA 0.082 4.631 4.550 -0.002 0.000 0.326 769 Y C 0.728 176.692 175.900 0.107 0.000 1.164 769 Y CA -0.716 57.470 58.100 0.143 0.000 1.234 769 Y CB 0.574 39.142 38.460 0.179 0.000 1.219 769 Y HN 0.539 nan 8.280 nan 0.000 0.497 770 W N 4.320 125.663 121.300 0.073 0.000 2.079 770 W HA 0.301 4.960 4.660 -0.001 0.000 0.354 770 W C -0.992 175.542 176.519 0.025 0.000 1.302 770 W CA -0.322 57.010 57.345 -0.021 0.000 1.281 770 W CB 0.472 29.919 29.460 -0.022 0.000 1.165 770 W HN 0.413 nan 8.180 nan 0.000 0.603 771 I N 5.046 125.429 120.570 -0.313 0.000 2.460 771 I HA 0.316 4.485 4.170 -0.001 0.000 0.298 771 I C 0.100 176.155 176.117 -0.103 0.000 0.989 771 I CA -0.881 60.312 61.300 -0.179 0.000 1.173 771 I CB 1.859 39.716 38.000 -0.238 0.000 1.338 771 I HN 0.256 nan 8.210 nan 0.000 0.456 772 M N 5.889 125.478 119.600 -0.019 0.000 2.259 772 M HA 0.488 4.967 4.480 -0.001 0.000 0.304 772 M C -1.210 175.072 176.300 -0.030 0.000 1.019 772 M CA -0.498 54.800 55.300 -0.003 0.000 0.922 772 M CB 1.512 34.130 32.600 0.031 0.000 1.600 772 M HN 0.497 nan 8.290 nan 0.000 0.433 773 R N 3.425 123.895 120.500 -0.050 0.000 2.254 773 R HA 0.636 4.975 4.340 -0.001 0.000 0.318 773 R C -1.293 174.990 176.300 -0.028 0.000 1.031 773 R CA -0.604 55.455 56.100 -0.069 0.000 0.905 773 R CB 1.265 31.457 30.300 -0.180 0.000 1.050 773 R HN 0.500 nan 8.270 nan 0.000 0.456 774 V N 3.068 122.975 119.914 -0.012 0.000 2.638 774 V HA 0.158 4.277 4.120 -0.001 0.000 0.306 774 V C -0.021 176.083 176.094 0.016 0.000 1.052 774 V CA -1.173 61.131 62.300 0.007 0.000 0.885 774 V CB 1.837 33.667 31.823 0.011 0.000 0.999 774 V HN 0.757 nan 8.190 nan 0.000 0.424 775 N N 2.623 121.340 118.700 0.028 0.000 2.454 775 N HA -0.042 4.697 4.740 -0.001 0.000 0.260 775 N C 1.596 177.123 175.510 0.028 0.000 1.218 775 N CA 0.780 53.852 53.050 0.037 0.000 0.904 775 N CB 1.486 40.002 38.487 0.048 0.000 1.065 775 N HN 0.908 nan 8.380 nan 0.000 0.462 776 S N 4.847 120.563 115.700 0.027 0.000 2.393 776 S HA -0.253 4.216 4.470 -0.001 0.000 0.234 776 S C 1.965 176.577 174.600 0.019 0.000 1.064 776 S CA 1.311 59.524 58.200 0.021 0.000 1.088 776 S CB -0.555 62.658 63.200 0.021 0.000 0.939 776 S HN 0.701 nan 8.310 nan 0.000 0.448 777 I N 2.259 122.841 120.570 0.020 0.000 2.286 777 I HA -0.153 4.017 4.170 -0.001 0.000 0.248 777 I C 2.169 178.295 176.117 0.015 0.000 1.115 777 I CA 1.597 62.906 61.300 0.016 0.000 1.392 777 I CB -0.462 37.545 38.000 0.013 0.000 1.065 777 I HN 0.305 nan 8.210 nan 0.000 0.418 778 D N 1.009 121.420 120.400 0.017 0.000 2.162 778 D HA -0.063 4.576 4.640 -0.001 0.000 0.203 778 D C 2.276 178.589 176.300 0.021 0.000 0.967 778 D CA 1.345 55.356 54.000 0.017 0.000 0.840 778 D CB 0.006 40.816 40.800 0.017 0.000 0.972 778 D HN 0.319 nan 8.370 nan 0.000 0.482 779 A N 1.438 124.271 122.820 0.021 0.000 1.898 779 A HA -0.182 4.137 4.320 -0.001 0.000 0.216 779 A C 2.130 179.728 177.584 0.023 0.000 1.181 779 A CA 1.334 53.385 52.037 0.023 0.000 0.620 779 A CB -0.390 18.622 19.000 0.020 0.000 0.819 779 A HN 0.053 nan 8.150 nan 0.000 0.442 780 E N 0.717 120.928 120.200 0.019 0.000 2.085 780 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 780 E C 2.088 178.699 176.600 0.019 0.000 0.994 780 E CA 1.458 57.869 56.400 0.017 0.000 0.801 780 E CB -0.408 29.301 29.700 0.015 0.000 0.743 780 E HN 0.453 nan 8.360 nan 0.000 0.453 781 A N 0.860 123.691 122.820 0.019 0.000 2.070 781 A HA -0.106 4.213 4.320 -0.001 0.000 0.220 781 A C 1.959 179.559 177.584 0.026 0.000 1.159 781 A CA 1.135 53.184 52.037 0.020 0.000 0.656 781 A CB -0.263 18.747 19.000 0.017 0.000 0.800 781 A HN 0.184 nan 8.150 nan 0.000 0.453 782 R N -1.673 118.845 120.500 0.031 0.000 2.509 782 R HA 0.290 4.629 4.340 -0.001 0.000 0.300 782 R C 0.969 177.292 176.300 0.039 0.000 0.985 782 R CA 0.371 56.496 56.100 0.041 0.000 1.092 782 R CB 0.210 30.540 30.300 0.050 0.000 1.237 782 R HN 0.528 nan 8.270 nan 0.000 0.546 783 G N 1.942 110.760 108.800 0.030 0.000 2.225 783 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.267 783 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.267 783 G C 0.110 175.027 174.900 0.029 0.000 1.024 783 G CA 0.137 45.253 45.100 0.027 0.000 0.784 783 G HN 0.297 nan 8.290 nan 0.000 0.507 784 I N 0.136 120.724 120.570 0.030 0.000 2.331 784 I HA 0.362 4.531 4.170 -0.001 0.000 0.292 784 I C 0.586 176.716 176.117 0.022 0.000 0.998 784 I CA -0.318 61.000 61.300 0.030 0.000 1.267 784 I CB 1.219 39.239 38.000 0.034 0.000 1.386 784 I HN -0.008 nan 8.210 nan 0.000 0.476 785 K N 4.586 124.998 120.400 0.019 0.000 2.281 785 K HA 0.320 4.639 4.320 -0.001 0.000 0.242 785 K C -0.379 176.228 176.600 0.012 0.000 0.971 785 K CA -0.944 55.351 56.287 0.014 0.000 0.834 785 K CB 1.682 34.189 32.500 0.012 0.000 1.181 785 K HN 0.501 nan 8.250 nan 0.000 0.435 786 N N 0.197 118.902 118.700 0.009 0.000 2.356 786 N HA -0.104 4.635 4.740 -0.001 0.000 0.252 786 N C 0.779 176.293 175.510 0.007 0.000 1.241 786 N CA 1.310 54.364 53.050 0.006 0.000 0.861 786 N CB 0.217 38.706 38.487 0.004 0.000 1.075 786 N HN 0.799 nan 8.380 nan 0.000 0.461 787 G N 2.012 110.815 108.800 0.005 0.000 2.225 787 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.254 787 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.254 787 G C -0.193 174.706 174.900 -0.002 0.000 0.988 787 G CA 0.008 45.111 45.100 0.006 0.000 0.625 787 G HN 0.642 nan 8.290 nan 0.000 0.527 788 D N 0.539 120.940 120.400 0.001 0.000 2.399 788 D HA 0.406 5.045 4.640 -0.001 0.000 0.241 788 D C 1.101 177.394 176.300 -0.012 0.000 1.133 788 D CA -0.015 53.987 54.000 0.002 0.000 0.890 788 D CB 0.718 41.529 40.800 0.019 0.000 1.201 788 D HN 0.280 nan 8.370 nan 0.000 0.432 789 L N 3.136 124.351 121.223 -0.013 0.000 2.319 789 L HA 0.347 4.686 4.340 -0.001 0.000 0.280 789 L C 0.519 177.440 176.870 0.085 0.000 1.099 789 L CA -0.389 54.433 54.840 -0.030 0.000 0.828 789 L CB 0.214 42.271 42.059 -0.003 0.000 1.150 789 L HN 0.240 nan 8.230 nan 0.000 0.442 790 I N 0.895 121.491 120.570 0.045 0.000 2.957 790 I HA 0.631 4.800 4.170 -0.001 0.000 0.310 790 I C -0.544 175.584 176.117 0.017 0.000 1.063 790 I CA -1.070 60.277 61.300 0.078 0.000 1.033 790 I CB 2.173 40.206 38.000 0.055 0.000 1.230 790 I HN 0.559 nan 8.210 nan 0.000 0.447 791 R N 2.942 123.469 120.500 0.046 0.000 2.360 791 R HA 0.752 5.092 4.340 -0.001 0.000 0.318 791 R C -1.284 175.067 176.300 0.085 0.000 0.950 791 R CA -0.513 55.562 56.100 -0.042 0.000 0.837 791 R CB 1.657 31.900 30.300 -0.095 0.000 1.165 791 R HN 0.955 nan 8.270 nan 0.000 0.458 792 A N 5.084 127.923 122.820 0.032 0.000 2.274 792 A HA 0.514 4.833 4.320 -0.001 0.000 0.309 792 A C -1.342 176.280 177.584 0.063 0.000 1.226 792 A CA -0.529 51.528 52.037 0.034 0.000 0.853 792 A CB 0.292 19.277 19.000 -0.025 0.000 1.146 792 A HN 0.807 nan 8.150 nan 0.000 0.518 793 Y N 1.148 121.364 120.300 -0.141 0.000 2.638 793 Y HA 0.779 5.328 4.550 -0.002 0.000 0.335 793 Y C -0.585 175.098 175.900 -0.363 0.000 1.155 793 Y CA -1.041 56.944 58.100 -0.192 0.000 1.046 793 Y CB 1.269 39.659 38.460 -0.116 0.000 1.303 793 Y HN 0.757 nan 8.280 nan 0.000 0.460 794 N N -1.424 117.017 118.700 -0.432 0.000 3.526 794 N HA 0.215 4.954 4.740 -0.001 0.000 0.328 794 N C -0.662 174.682 175.510 -0.277 0.000 1.601 794 N CA -0.381 52.019 53.050 -1.083 0.000 0.834 794 N CB 0.085 37.951 38.487 -1.035 0.000 1.983 794 N HN 0.564 nan 8.380 nan 0.000 0.579 795 D N -0.492 119.818 120.400 -0.149 0.000 2.310 795 D HA 0.003 4.642 4.640 -0.001 0.000 0.212 795 D C 1.151 177.522 176.300 0.118 0.000 0.965 795 D CA 0.830 54.917 54.000 0.145 0.000 0.879 795 D CB 0.049 40.956 40.800 0.180 0.000 0.921 795 D HN 0.422 nan 8.370 nan 0.000 0.510 796 R N -0.115 120.360 120.500 -0.041 0.000 2.200 796 R HA 0.275 4.614 4.340 -0.001 0.000 0.208 796 R C 1.299 177.390 176.300 -0.349 0.000 1.033 796 R CA 0.662 56.698 56.100 -0.107 0.000 1.000 796 R CB 0.507 30.734 30.300 -0.122 0.000 0.906 796 R HN 0.107 nan 8.270 nan 0.000 0.462 797 G N -1.446 107.036 108.800 -0.530 0.000 2.336 797 G HA2 0.237 4.196 3.960 -0.001 0.000 0.286 797 G HA3 0.237 4.196 3.960 -0.001 0.000 0.286 797 G C -1.426 173.125 174.900 -0.581 0.000 1.269 797 G CA -0.698 43.654 45.100 -1.246 0.000 0.873 797 G HN -0.023 nan 8.290 nan 0.000 0.494 798 S N -1.441 113.998 115.700 -0.435 0.000 2.540 798 S HA 0.742 5.211 4.470 -0.001 0.000 0.275 798 S C -0.983 173.534 174.600 -0.138 0.000 1.123 798 S CA -0.477 57.652 58.200 -0.118 0.000 0.907 798 S CB 1.986 65.182 63.200 -0.007 0.000 1.081 798 S HN 1.105 nan 8.310 nan 0.000 0.476 799 V N 3.515 123.350 119.914 -0.131 0.000 2.577 799 V HA 0.497 4.616 4.120 -0.001 0.000 0.303 799 V C -1.032 174.958 176.094 -0.173 0.000 1.042 799 V CA -0.692 61.528 62.300 -0.133 0.000 0.872 799 V CB 1.669 33.433 31.823 -0.098 0.000 0.998 799 V HN 0.739 nan 8.190 nan 0.000 0.423 800 I N 5.900 126.324 120.570 -0.242 0.000 2.371 800 I HA 0.540 4.709 4.170 -0.001 0.000 0.290 800 I C -0.046 176.048 176.117 -0.039 0.000 1.028 800 I CA 0.180 61.279 61.300 -0.336 0.000 1.345 800 I CB 0.810 38.397 38.000 -0.689 0.000 1.407 800 I HN 0.450 nan 8.210 nan 0.000 0.501 801 L N 4.881 126.091 121.223 -0.022 0.000 2.403 801 L HA 0.829 5.168 4.340 -0.001 0.000 0.253 801 L C -0.467 176.418 176.870 0.025 0.000 1.045 801 L CA -1.077 53.825 54.840 0.104 0.000 0.845 801 L CB 1.761 43.891 42.059 0.117 0.000 1.447 801 L HN 0.525 nan 8.230 nan 0.000 0.411 802 A N 0.756 123.619 122.820 0.071 0.000 2.290 802 A HA 0.835 5.154 4.320 -0.001 0.000 0.310 802 A C -0.160 177.432 177.584 0.013 0.000 1.202 802 A CA -0.326 51.717 52.037 0.011 0.000 0.837 802 A CB 1.031 20.063 19.000 0.053 0.000 1.139 802 A HN 0.721 nan 8.150 nan 0.000 0.509 803 A N 1.946 124.768 122.820 0.003 0.000 2.354 803 A HA 0.584 4.903 4.320 -0.001 0.000 0.269 803 A C 0.089 177.670 177.584 -0.004 0.000 1.109 803 A CA -0.298 51.741 52.037 0.004 0.000 0.800 803 A CB 0.371 19.377 19.000 0.011 0.000 1.045 803 A HN 0.868 nan 8.150 nan 0.000 0.489 804 Q N 2.575 122.368 119.800 -0.012 0.000 2.490 804 Q HA 0.471 4.810 4.340 -0.001 0.000 0.255 804 Q C -1.601 174.391 176.000 -0.013 0.000 0.997 804 Q CA -0.447 55.346 55.803 -0.016 0.000 0.709 804 Q CB 1.229 29.948 28.738 -0.033 0.000 1.255 804 Q HN 0.558 nan 8.270 nan 0.000 0.486 805 V N 3.289 123.201 119.914 -0.003 0.000 2.521 805 V HA 0.324 4.444 4.120 -0.001 0.000 0.286 805 V C 0.401 176.496 176.094 0.002 0.000 1.034 805 V CA 0.424 62.725 62.300 0.003 0.000 1.045 805 V CB 1.061 32.889 31.823 0.007 0.000 0.974 805 V HN 0.815 nan 8.190 nan 0.000 0.480 806 T N 2.797 117.356 114.554 0.007 0.000 2.787 806 T HA 0.386 4.735 4.350 -0.001 0.000 0.297 806 T C 0.083 174.803 174.700 0.032 0.000 1.221 806 T CA -0.538 61.567 62.100 0.010 0.000 1.006 806 T CB 2.138 71.004 68.868 -0.003 0.000 1.328 806 T HN 0.607 nan 8.240 nan 0.000 0.509 807 E N 0.572 120.793 120.200 0.036 0.000 2.498 807 E HA 0.186 4.535 4.350 -0.001 0.000 0.203 807 E C 1.121 177.804 176.600 0.138 0.000 1.013 807 E CA 0.154 56.601 56.400 0.078 0.000 0.927 807 E CB -0.067 29.672 29.700 0.064 0.000 1.012 807 E HN 0.593 nan 8.360 nan 0.000 0.482 808 C N 1.505 120.843 119.300 0.064 0.000 2.460 808 C HA 0.267 4.726 4.460 -0.001 0.000 0.322 808 C C 0.746 175.921 174.990 0.309 0.000 1.333 808 C CA 0.043 59.063 59.018 0.002 0.000 1.631 808 C CB -1.868 25.770 27.740 -0.170 0.000 1.672 808 C HN 0.146 nan 8.230 nan 0.000 0.596 809 L N -0.241 121.208 121.223 0.377 0.000 2.506 809 L HA 0.330 4.669 4.340 -0.001 0.000 0.257 809 L C -0.369 176.629 176.870 0.213 0.000 0.964 809 L CA -0.402 54.637 54.840 0.331 0.000 0.836 809 L CB 1.535 43.702 42.059 0.180 0.000 1.384 809 L HN 0.069 nan 8.230 nan 0.000 0.410 810 Q N 2.738 122.610 119.800 0.120 0.000 2.352 810 Q HA 0.299 4.638 4.340 -0.001 0.000 0.260 810 Q C -2.334 173.683 176.000 0.029 0.000 0.976 810 Q CA -1.441 54.376 55.803 0.023 0.000 0.881 810 Q CB 1.291 30.000 28.738 -0.048 0.000 1.235 810 Q HN 0.217 nan 8.270 nan 0.000 0.419 811 P HA -0.034 nan 4.420 nan 0.000 0.264 811 P C 0.065 177.366 177.300 0.001 0.000 1.183 811 P CA 1.486 64.593 63.100 0.012 0.000 0.763 811 P CB 0.468 32.170 31.700 0.003 0.000 0.807 812 G N 1.302 110.105 108.800 0.005 0.000 2.195 812 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.224 812 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.224 812 G C 0.132 175.034 174.900 0.003 0.000 0.990 812 G CA -0.038 45.060 45.100 -0.002 0.000 0.639 812 G HN 0.610 nan 8.290 nan 0.000 0.514 813 T N 0.890 115.454 114.554 0.017 0.000 2.829 813 T HA 0.685 5.034 4.350 -0.001 0.000 0.280 813 T C 0.038 174.759 174.700 0.034 0.000 0.999 813 T CA 0.114 62.231 62.100 0.027 0.000 0.983 813 T CB 2.510 71.408 68.868 0.050 0.000 0.968 813 T HN 1.332 nan 8.240 nan 0.000 0.446 814 V N 0.424 120.352 119.914 0.023 0.000 2.914 814 V HA 0.720 4.839 4.120 -0.001 0.000 0.314 814 V C -0.921 175.188 176.094 0.025 0.000 1.084 814 V CA -0.916 61.394 62.300 0.017 0.000 0.963 814 V CB 2.113 33.934 31.823 -0.003 0.000 1.025 814 V HN 0.968 nan 8.190 nan 0.000 0.432 815 H N 1.858 120.845 119.070 -0.138 0.000 2.679 815 H HA 0.771 5.326 4.556 -0.001 0.000 0.360 815 H C -1.555 173.630 175.328 -0.237 0.000 1.105 815 H CA -0.045 55.868 56.048 -0.225 0.000 1.196 815 H CB 2.224 31.729 29.762 -0.429 0.000 1.636 815 H HN 0.953 nan 8.280 nan 0.000 0.531 816 S N 4.994 120.446 115.700 -0.413 0.000 2.626 816 S HA 0.299 4.768 4.470 -0.001 0.000 0.275 816 S C -1.384 173.154 174.600 -0.104 0.000 1.175 816 S CA -0.525 57.588 58.200 -0.145 0.000 0.982 816 S CB 0.353 63.605 63.200 0.087 0.000 1.093 816 S HN 0.537 nan 8.310 nan 0.000 0.472 817 Y N 2.790 123.183 120.300 0.155 0.000 2.578 817 Y HA 0.168 4.717 4.550 -0.002 0.000 0.339 817 Y C 1.318 177.506 175.900 0.481 0.000 1.231 817 Y CA -0.015 58.251 58.100 0.277 0.000 1.461 817 Y CB 0.600 39.249 38.460 0.315 0.000 1.323 817 Y HN 0.776 nan 8.280 nan 0.000 0.590 818 E N -0.835 119.620 120.200 0.426 0.000 2.790 818 E HA 0.467 4.816 4.350 -0.001 0.000 0.256 818 E C 0.026 176.709 176.600 0.139 0.000 1.246 818 E CA -0.244 56.252 56.400 0.160 0.000 1.041 818 E CB 0.798 30.529 29.700 0.051 0.000 1.272 818 E HN 0.520 nan 8.360 nan 0.000 0.603 819 S N -2.470 113.206 115.700 -0.041 0.000 3.018 819 S HA -0.239 4.230 4.470 -0.001 0.000 0.274 819 S C 0.286 174.789 174.600 -0.160 0.000 1.300 819 S CA 0.499 58.676 58.200 -0.038 0.000 1.179 819 S CB -2.594 60.684 63.200 0.129 0.000 1.427 819 S HN 0.827 nan 8.310 nan 0.000 0.668 820 C N 2.640 121.647 119.300 -0.490 0.000 2.523 820 C HA 0.417 4.876 4.460 -0.001 0.000 0.406 820 C C 1.897 176.686 174.990 -0.336 0.000 1.449 820 C CA 0.512 59.087 59.018 -0.738 0.000 1.588 820 C CB -0.451 26.587 27.740 -1.171 0.000 2.514 820 C HN 0.788 nan 8.230 nan 0.000 0.606 821 A N 4.910 127.607 122.820 -0.206 0.000 2.178 821 A HA 0.297 4.616 4.320 -0.001 0.000 0.211 821 A C 0.659 178.160 177.584 -0.138 0.000 1.157 821 A CA 0.481 52.426 52.037 -0.153 0.000 0.780 821 A CB -0.040 18.874 19.000 -0.142 0.000 0.828 821 A HN 0.818 nan 8.150 nan 0.000 0.476 822 V N 0.519 120.350 119.914 -0.139 0.000 2.370 822 V HA 0.262 4.381 4.120 -0.001 0.000 0.279 822 V C -0.822 175.256 176.094 -0.027 0.000 1.029 822 V CA -0.559 61.687 62.300 -0.091 0.000 0.870 822 V CB 0.804 32.577 31.823 -0.084 0.000 0.984 822 V HN 0.380 nan 8.190 nan 0.000 0.451 823 Y N 4.252 124.466 120.300 -0.143 0.000 2.369 823 Y HA 0.607 5.156 4.550 -0.001 0.000 0.337 823 Y C -0.358 175.490 175.900 -0.087 0.000 0.961 823 Y CA -1.484 56.549 58.100 -0.111 0.000 1.186 823 Y CB 1.376 39.789 38.460 -0.079 0.000 1.139 823 Y HN 0.721 nan 8.280 nan 0.000 0.494 824 D N 8.738 128.866 120.400 -0.453 0.000 2.443 824 D HA 0.368 5.007 4.640 -0.001 0.000 0.281 824 D C -3.057 172.979 176.300 -0.441 0.000 1.210 824 D CA -2.205 51.558 54.000 -0.395 0.000 0.875 824 D CB 1.110 41.827 40.800 -0.140 0.000 1.125 824 D HN 0.223 nan 8.370 nan 0.000 0.503 825 P HA 0.089 nan 4.420 nan 0.000 0.265 825 P C 0.785 177.986 177.300 -0.165 0.000 1.193 825 P CA -0.086 62.800 63.100 -0.358 0.000 0.765 825 P CB 0.921 32.423 31.700 -0.330 0.000 0.823 826 L N 1.031 122.217 121.223 -0.062 0.000 2.509 826 L HA 0.242 4.581 4.340 -0.001 0.000 0.222 826 L C 1.369 178.259 176.870 0.034 0.000 1.123 826 L CA 0.580 55.424 54.840 0.007 0.000 0.856 826 L CB -0.304 41.809 42.059 0.091 0.000 0.985 826 L HN 0.552 nan 8.230 nan 0.000 0.456 827 G N -1.264 107.556 108.800 0.033 0.000 3.003 827 G HA2 0.231 4.190 3.960 -0.001 0.000 0.243 827 G HA3 0.231 4.190 3.960 -0.001 0.000 0.243 827 G C -0.823 174.104 174.900 0.047 0.000 1.176 827 G CA -0.296 44.832 45.100 0.047 0.000 0.812 827 G HN -0.188 nan 8.290 nan 0.000 0.584 828 T N 1.624 116.219 114.554 0.070 0.000 2.905 828 T HA 0.417 4.767 4.350 -0.001 0.000 0.299 828 T C 0.842 175.623 174.700 0.135 0.000 1.024 828 T CA 0.635 62.788 62.100 0.088 0.000 1.151 828 T CB 0.618 69.543 68.868 0.095 0.000 0.987 828 T HN 0.976 nan 8.240 nan 0.000 0.535 829 A N 2.826 125.742 122.820 0.160 0.000 2.546 829 A HA 0.484 4.803 4.320 -0.001 0.000 0.243 829 A C 1.701 179.492 177.584 0.344 0.000 1.063 829 A CA 0.176 52.393 52.037 0.299 0.000 0.757 829 A CB -0.798 18.430 19.000 0.380 0.000 0.991 829 A HN 1.650 nan 8.150 nan 0.000 0.503 830 G N 1.835 110.877 108.800 0.404 0.000 2.212 830 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.266 830 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.266 830 G C 0.679 175.716 174.900 0.227 0.000 0.978 830 G CA 0.964 46.221 45.100 0.261 0.000 0.632 830 G HN 0.823 nan 8.290 nan 0.000 0.537 831 K N -0.003 120.547 120.400 0.251 0.000 2.447 831 K HA 0.371 4.690 4.320 -0.001 0.000 0.205 831 K C 0.578 177.389 176.600 0.351 0.000 1.059 831 K CA 0.674 57.126 56.287 0.274 0.000 1.065 831 K CB 1.017 33.624 32.500 0.179 0.000 0.885 831 K HN 0.589 nan 8.250 nan 0.000 0.545 832 S N -0.633 115.274 115.700 0.345 0.000 2.685 832 S HA 0.680 5.149 4.470 -0.001 0.000 0.282 832 S C -0.535 174.238 174.600 0.288 0.000 1.159 832 S CA -1.102 57.309 58.200 0.350 0.000 0.833 832 S CB 1.543 64.863 63.200 0.200 0.000 1.151 832 S HN 0.081 nan 8.310 nan 0.000 0.485 833 A N 0.652 123.644 122.820 0.286 0.000 2.540 833 A HA 0.430 4.749 4.320 -0.001 0.000 0.239 833 A C -0.031 177.561 177.584 0.014 0.000 1.061 833 A CA 0.294 52.408 52.037 0.129 0.000 0.758 833 A CB -0.676 18.399 19.000 0.125 0.000 0.991 833 A HN 0.854 nan 8.150 nan 0.000 0.502 834 D N -0.061 120.313 120.400 -0.042 0.000 2.163 834 D HA 0.490 5.129 4.640 -0.001 0.000 0.248 834 D C 0.882 177.105 176.300 -0.127 0.000 1.035 834 D CA -0.576 53.379 54.000 -0.075 0.000 0.872 834 D CB 0.894 41.712 40.800 0.030 0.000 1.183 834 D HN 0.525 nan 8.370 nan 0.000 0.445 835 R N 1.730 122.148 120.500 -0.137 0.000 2.509 835 R HA 0.327 4.666 4.340 -0.001 0.000 0.297 835 R C 1.207 177.519 176.300 0.020 0.000 0.951 835 R CA -0.246 55.797 56.100 -0.095 0.000 1.103 835 R CB 0.292 30.471 30.300 -0.202 0.000 1.283 835 R HN 0.381 nan 8.270 nan 0.000 0.534 836 G N 0.800 109.590 108.800 -0.017 0.000 2.430 836 G HA2 0.176 4.135 3.960 -0.001 0.000 0.216 836 G HA3 0.176 4.135 3.960 -0.001 0.000 0.216 836 G C 1.052 175.916 174.900 -0.059 0.000 1.146 836 G CA 0.690 45.793 45.100 0.006 0.000 0.793 836 G HN 0.591 nan 8.290 nan 0.000 0.537 837 G N -2.045 106.678 108.800 -0.128 0.000 2.151 837 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.140 837 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.140 837 G C 0.184 174.719 174.900 -0.610 0.000 1.020 837 G CA -0.154 44.749 45.100 -0.329 0.000 0.688 837 G HN 0.467 nan 8.290 nan 0.000 0.500 838 C N 2.321 121.421 119.300 -0.334 0.000 2.773 838 C HA 0.251 4.710 4.460 -0.001 0.000 0.442 838 C C 2.280 177.125 174.990 -0.243 0.000 1.028 838 C CA -0.459 58.377 59.018 -0.303 0.000 1.164 838 C CB -1.837 25.811 27.740 -0.153 0.000 1.593 838 C HN 0.477 nan 8.230 nan 0.000 0.557 839 I N 2.659 123.064 120.570 -0.274 0.000 2.335 839 I HA -0.145 4.024 4.170 -0.001 0.000 0.251 839 I C 2.140 178.175 176.117 -0.136 0.000 1.129 839 I CA 1.482 62.692 61.300 -0.151 0.000 1.402 839 I CB -0.567 37.395 38.000 -0.064 0.000 1.069 839 I HN 0.611 nan 8.210 nan 0.000 0.424 840 N N 0.838 119.445 118.700 -0.156 0.000 2.635 840 N HA -0.086 4.653 4.740 -0.001 0.000 0.191 840 N C 1.752 177.179 175.510 -0.138 0.000 1.155 840 N CA 0.550 53.517 53.050 -0.138 0.000 0.927 840 N CB -0.106 38.286 38.487 -0.157 0.000 0.976 840 N HN 0.429 nan 8.380 nan 0.000 0.448 841 I N 0.175 120.656 120.570 -0.150 0.000 2.493 841 I HA -0.194 3.975 4.170 -0.001 0.000 0.254 841 I C 1.568 177.592 176.117 -0.155 0.000 1.160 841 I CA 0.787 61.995 61.300 -0.153 0.000 1.445 841 I CB 0.121 38.026 38.000 -0.159 0.000 1.086 841 I HN 0.097 nan 8.210 nan 0.000 0.433 842 L N -0.209 120.927 121.223 -0.145 0.000 2.446 842 L HA 0.044 4.383 4.340 -0.001 0.000 0.219 842 L C 1.137 177.942 176.870 -0.108 0.000 1.116 842 L CA -0.002 54.750 54.840 -0.147 0.000 0.844 842 L CB -0.725 41.243 42.059 -0.152 0.000 0.970 842 L HN 0.262 nan 8.230 nan 0.000 0.457 843 T N -0.819 113.684 114.554 -0.084 0.000 2.919 843 T HA 0.202 4.551 4.350 -0.001 0.000 0.302 843 T C -2.361 172.333 174.700 -0.011 0.000 1.031 843 T CA -1.640 60.433 62.100 -0.045 0.000 1.127 843 T CB 0.590 69.432 68.868 -0.043 0.000 0.952 843 T HN -0.080 nan 8.240 nan 0.000 0.540 844 P HA 0.160 nan 4.420 nan 0.000 0.271 844 P C -0.033 177.326 177.300 0.098 0.000 1.216 844 P CA -0.198 62.972 63.100 0.117 0.000 0.771 844 P CB 0.747 32.633 31.700 0.310 0.000 0.864 845 D N 2.226 122.638 120.400 0.020 0.000 2.350 845 D HA -0.026 4.613 4.640 -0.001 0.000 0.213 845 D C 0.823 177.064 176.300 -0.098 0.000 1.031 845 D CA 0.058 54.030 54.000 -0.045 0.000 0.861 845 D CB -0.305 40.430 40.800 -0.110 0.000 0.926 845 D HN 0.327 nan 8.370 nan 0.000 0.520 846 R N 0.557 121.013 120.500 -0.072 0.000 2.522 846 R HA 0.013 4.352 4.340 -0.001 0.000 0.284 846 R C -0.390 175.921 176.300 0.018 0.000 1.032 846 R CA -0.323 55.653 56.100 -0.207 0.000 1.049 846 R CB 0.078 30.035 30.300 -0.572 0.000 0.956 846 R HN 0.056 nan 8.270 nan 0.000 0.422 847 Y N 4.071 124.331 120.300 -0.065 0.000 2.683 847 Y HA -0.147 4.402 4.550 -0.002 0.000 0.340 847 Y C 1.990 177.952 175.900 0.103 0.000 1.245 847 Y CA -0.476 57.613 58.100 -0.019 0.000 1.485 847 Y CB 0.530 38.934 38.460 -0.093 0.000 1.328 847 Y HN 0.612 nan 8.280 nan 0.000 0.603 848 I N 1.187 121.952 120.570 0.325 0.000 2.181 848 I HA -0.329 3.840 4.170 -0.001 0.000 0.247 848 I C 1.041 177.404 176.117 0.411 0.000 1.081 848 I CA 1.779 63.315 61.300 0.392 0.000 1.340 848 I CB -0.389 37.715 38.000 0.173 0.000 1.036 848 I HN 0.562 nan 8.210 nan 0.000 0.417 849 S N -1.547 114.251 115.700 0.164 0.000 2.671 849 S HA 0.283 4.752 4.470 -0.001 0.000 0.277 849 S C 0.436 175.035 174.600 -0.002 0.000 1.165 849 S CA -0.879 57.393 58.200 0.119 0.000 0.822 849 S CB 2.009 65.330 63.200 0.201 0.000 1.150 849 S HN 0.078 nan 8.310 nan 0.000 0.479 850 K N -0.455 119.914 120.400 -0.051 0.000 2.074 850 K HA -0.119 4.200 4.320 -0.001 0.000 0.209 850 K C 0.785 177.163 176.600 -0.369 0.000 1.048 850 K CA 2.000 58.141 56.287 -0.243 0.000 0.926 850 K CB -0.347 31.930 32.500 -0.372 0.000 0.713 850 K HN 0.716 nan 8.250 nan 0.000 0.444 851 Y N -1.136 119.232 120.300 0.113 0.000 2.442 851 Y HA 0.354 4.903 4.550 -0.001 0.000 0.250 851 Y C 0.426 176.266 175.900 -0.101 0.000 1.113 851 Y CA -0.153 58.020 58.100 0.123 0.000 1.273 851 Y CB 0.694 39.393 38.460 0.398 0.000 1.138 851 Y HN -0.011 nan 8.280 nan 0.000 0.522 852 A N -0.023 122.733 122.820 -0.108 0.000 2.922 852 A HA 0.280 4.599 4.320 -0.001 0.000 0.298 852 A C -0.041 176.811 177.584 -1.219 0.000 1.588 852 A CA -0.401 51.308 52.037 -0.547 0.000 1.288 852 A CB -1.336 17.596 19.000 -0.113 0.000 1.130 852 A HN 0.457 nan 8.150 nan 0.000 0.557 853 C N 2.704 120.911 119.300 -1.823 0.000 3.585 853 C HA 0.427 4.886 4.460 -0.001 0.000 0.575 853 C C 1.440 175.697 174.990 -1.221 0.000 1.068 853 C CA 0.000 57.856 59.018 -1.937 0.000 1.113 853 C CB -2.088 24.749 27.740 -1.505 0.000 1.381 853 C HN 0.830 nan 8.230 nan 0.000 0.635 854 G N 1.248 109.576 108.800 -0.787 0.000 2.600 854 G HA2 0.694 4.653 3.960 -0.001 0.000 0.303 854 G HA3 0.694 4.653 3.960 -0.001 0.000 0.303 854 G C -0.469 174.524 174.900 0.154 0.000 1.253 854 G CA -0.843 44.203 45.100 -0.091 0.000 0.974 854 G HN 0.539 nan 8.290 nan 0.000 0.483 855 M N 0.249 119.967 119.600 0.198 0.000 2.235 855 M HA 0.665 5.144 4.480 -0.001 0.000 0.351 855 M C 0.136 176.525 176.300 0.148 0.000 1.178 855 M CA -0.481 54.921 55.300 0.170 0.000 1.143 855 M CB 1.878 34.545 32.600 0.112 0.000 1.530 855 M HN 0.463 nan 8.290 nan 0.000 0.461 856 A N 2.766 125.673 122.820 0.145 0.000 2.676 856 A HA 0.277 4.596 4.320 -0.001 0.000 0.297 856 A C 0.472 178.063 177.584 0.010 0.000 1.132 856 A CA -0.644 51.435 52.037 0.069 0.000 0.972 856 A CB -0.701 18.329 19.000 0.050 0.000 1.197 856 A HN 1.003 nan 8.150 nan 0.000 0.524 857 N N 1.503 120.221 118.700 0.029 0.000 2.096 857 N HA -0.200 4.539 4.740 -0.001 0.000 0.195 857 N C 0.906 176.403 175.510 -0.021 0.000 1.017 857 N CA 1.707 54.758 53.050 0.002 0.000 0.870 857 N CB -0.334 38.152 38.487 -0.002 0.000 1.024 857 N HN 0.455 nan 8.380 nan 0.000 0.434 858 N N 0.086 118.779 118.700 -0.012 0.000 2.627 858 N HA -0.030 4.709 4.740 -0.001 0.000 0.196 858 N C -0.406 175.076 175.510 -0.048 0.000 1.268 858 N CA 0.646 53.686 53.050 -0.016 0.000 0.904 858 N CB -0.239 38.255 38.487 0.011 0.000 1.016 858 N HN 0.420 nan 8.380 nan 0.000 0.448 859 T N -1.865 112.634 114.554 -0.092 0.000 2.930 859 T HA 0.756 5.105 4.350 -0.001 0.000 0.313 859 T C -0.602 174.031 174.700 -0.111 0.000 1.019 859 T CA -0.955 61.061 62.100 -0.141 0.000 1.004 859 T CB 1.766 70.479 68.868 -0.258 0.000 0.987 859 T HN 0.073 nan 8.240 nan 0.000 0.456 860 A N 4.113 126.889 122.820 -0.073 0.000 2.408 860 A HA 0.739 5.058 4.320 -0.001 0.000 0.295 860 A C -0.734 176.824 177.584 -0.042 0.000 1.040 860 A CA -0.917 51.090 52.037 -0.049 0.000 0.707 860 A CB 1.209 20.173 19.000 -0.059 0.000 1.235 860 A HN 0.878 nan 8.150 nan 0.000 0.418 861 L N 2.929 124.144 121.223 -0.014 0.000 2.312 861 L HA 0.719 5.059 4.340 -0.001 0.000 0.281 861 L C 0.163 176.998 176.870 -0.057 0.000 1.070 861 L CA -0.639 54.211 54.840 0.016 0.000 0.805 861 L CB 1.361 43.486 42.059 0.110 0.000 1.174 861 L HN 0.740 nan 8.230 nan 0.000 0.434 862 V N 0.118 119.998 119.914 -0.058 0.000 3.181 862 V HA 0.779 4.898 4.120 -0.001 0.000 0.307 862 V C -1.409 174.615 176.094 -0.115 0.000 1.310 862 V CA -0.693 61.483 62.300 -0.206 0.000 1.067 862 V CB 2.308 34.006 31.823 -0.209 0.000 1.081 862 V HN 0.718 nan 8.190 nan 0.000 0.453 863 E N 0.557 120.570 120.200 -0.310 0.000 2.340 863 E HA 0.795 5.144 4.350 -0.001 0.000 0.273 863 E C -1.128 175.335 176.600 -0.228 0.000 0.891 863 E CA -0.426 55.827 56.400 -0.245 0.000 0.757 863 E CB 1.948 31.477 29.700 -0.285 0.000 1.231 863 E HN 1.149 nan 8.360 nan 0.000 0.439 864 I N -0.437 120.131 120.570 -0.003 0.000 2.934 864 I HA 0.820 4.990 4.170 -0.001 0.000 0.306 864 I C -1.044 175.173 176.117 0.167 0.000 1.110 864 I CA -0.868 60.493 61.300 0.102 0.000 1.019 864 I CB 2.302 40.332 38.000 0.049 0.000 1.227 864 I HN 0.660 nan 8.210 nan 0.000 0.434 865 E N 2.330 122.638 120.200 0.180 0.000 2.416 865 E HA 0.388 4.737 4.350 -0.001 0.000 0.280 865 E C -1.737 174.949 176.600 0.142 0.000 1.055 865 E CA -1.252 55.242 56.400 0.156 0.000 0.825 865 E CB 1.494 31.307 29.700 0.187 0.000 1.312 865 E HN 0.529 nan 8.360 nan 0.000 0.452 866 K N 0.865 121.339 120.400 0.123 0.000 2.448 866 K HA 0.014 4.333 4.320 -0.001 0.000 0.278 866 K C -0.729 175.995 176.600 0.207 0.000 1.009 866 K CA -0.140 56.226 56.287 0.132 0.000 0.995 866 K CB 0.448 33.000 32.500 0.086 0.000 0.917 866 K HN 0.464 nan 8.250 nan 0.000 0.481 867 W N 5.170 126.476 121.300 0.009 0.000 2.356 867 W HA 0.018 4.677 4.660 -0.002 0.000 0.311 867 W C 0.343 176.891 176.519 0.048 0.000 1.328 867 W CA -0.783 56.578 57.345 0.027 0.000 1.251 867 W CB 0.207 29.673 29.460 0.010 0.000 1.280 867 W HN 0.645 nan 8.180 nan 0.000 0.524 868 D N 2.775 123.130 120.400 -0.074 0.000 2.349 868 D HA 0.102 4.741 4.640 -0.001 0.000 0.224 868 D C 1.688 177.632 176.300 -0.595 0.000 1.029 868 D CA 0.701 54.559 54.000 -0.236 0.000 0.879 868 D CB -0.235 40.535 40.800 -0.050 0.000 0.906 868 D HN 0.701 nan 8.370 nan 0.000 0.528 869 G N -0.064 107.848 108.800 -1.480 0.000 2.176 869 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.232 869 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.232 869 G C -0.070 174.517 174.900 -0.522 0.000 0.986 869 G CA 0.050 44.197 45.100 -1.588 0.000 0.643 869 G HN 0.551 nan 8.290 nan 0.000 0.522 870 D N 0.544 120.897 120.400 -0.077 0.000 2.360 870 D HA 0.425 5.064 4.640 -0.001 0.000 0.242 870 D C 1.804 178.346 176.300 0.402 0.000 1.184 870 D CA 0.228 54.234 54.000 0.010 0.000 0.930 870 D CB 0.593 41.117 40.800 -0.459 0.000 1.161 870 D HN 0.441 nan 8.370 nan 0.000 0.447 871 K N 1.017 121.518 120.400 0.169 0.000 2.379 871 K HA -0.010 4.309 4.320 -0.001 0.000 0.194 871 K C -0.070 176.720 176.600 0.318 0.000 1.031 871 K CA -0.126 56.330 56.287 0.283 0.000 1.037 871 K CB -0.107 32.481 32.500 0.147 0.000 0.824 871 K HN 0.434 nan 8.250 nan 0.000 0.516 872 Y N 1.925 122.302 120.300 0.128 0.000 3.027 872 Y HA -0.217 4.332 4.550 -0.002 0.000 0.195 872 Y C -0.469 175.447 175.900 0.027 0.000 1.381 872 Y CA 0.618 58.759 58.100 0.068 0.000 1.015 872 Y CB -2.052 36.489 38.460 0.135 0.000 1.329 872 Y HN 0.410 nan 8.280 nan 0.000 0.462 873 E N 2.394 122.613 120.200 0.031 0.000 1.856 873 E HA 0.384 4.733 4.350 -0.001 0.000 0.263 873 E C 0.808 177.355 176.600 -0.089 0.000 1.137 873 E CA 0.129 56.545 56.400 0.026 0.000 1.007 873 E CB -0.222 29.494 29.700 0.027 0.000 1.117 873 E HN 0.589 nan 8.360 nan 0.000 0.438 874 I N -0.117 120.289 120.570 -0.274 0.000 4.050 874 I HA 0.274 4.443 4.170 -0.001 0.000 0.328 874 I C -0.946 174.848 176.117 -0.538 0.000 1.439 874 I CA -0.693 60.371 61.300 -0.394 0.000 1.099 874 I CB 0.004 37.745 38.000 -0.431 0.000 1.469 874 I HN 0.122 nan 8.210 nan 0.000 0.572 875 Y N 0.000 120.348 120.300 0.081 0.000 2.660 875 Y HA 0.000 4.549 4.550 -0.002 0.000 0.201 875 Y CA 0.000 58.142 58.100 0.070 0.000 1.940 875 Y CB 0.000 38.504 38.460 0.073 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758