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 1ti4_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 0.000 176.313 176.300 0.022 0.000 1.140 1 M CA 0.000 55.312 55.300 0.020 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 G N -0.903 107.911 108.800 0.023 0.000 2.634 2 G HA2 0.741 4.700 3.960 -0.001 0.000 0.309 2 G HA3 0.741 4.700 3.960 -0.001 0.000 0.309 2 G C -1.550 173.366 174.900 0.026 0.000 1.299 2 G CA -0.598 44.517 45.100 0.025 0.000 0.798 2 G HN -0.082 nan 8.290 nan 0.000 0.490 3 E N -0.775 119.441 120.200 0.027 0.000 2.254 3 E HA 0.547 4.896 4.350 -0.001 0.000 0.258 3 E C -0.149 176.475 176.600 0.040 0.000 1.033 3 E CA -0.763 55.654 56.400 0.029 0.000 0.893 3 E CB 1.962 31.676 29.700 0.024 0.000 1.204 3 E HN 0.241 nan 8.360 nan 0.000 0.425 4 V N 1.169 121.113 119.914 0.051 0.000 2.555 4 V HA 0.146 4.265 4.120 -0.001 0.000 0.286 4 V C 0.136 176.269 176.094 0.064 0.000 1.044 4 V CA -0.316 62.032 62.300 0.080 0.000 1.026 4 V CB 1.029 32.923 31.823 0.118 0.000 0.981 4 V HN 0.284 nan 8.190 nan 0.000 0.480 5 V N 5.689 125.630 119.914 0.045 0.000 2.487 5 V HA 0.449 4.568 4.120 -0.001 0.000 0.298 5 V C 0.165 176.193 176.094 -0.110 0.000 1.028 5 V CA -0.853 61.435 62.300 -0.020 0.000 0.860 5 V CB 1.830 33.644 31.823 -0.015 0.000 0.991 5 V HN 0.848 nan 8.190 nan 0.000 0.427 6 R N 4.564 124.919 120.500 -0.242 0.000 2.216 6 R HA 0.612 4.952 4.340 -0.001 0.000 0.332 6 R C -1.036 175.066 176.300 -0.330 0.000 1.056 6 R CA -0.187 55.595 56.100 -0.529 0.000 0.901 6 R CB 0.419 30.270 30.300 -0.747 0.000 1.039 6 R HN 0.672 nan 8.270 nan 0.000 0.456 7 L N 1.965 123.043 121.223 -0.240 0.000 2.341 7 L HA 0.599 4.938 4.340 -0.001 0.000 0.267 7 L C 0.228 177.095 176.870 -0.006 0.000 1.022 7 L CA -0.994 53.777 54.840 -0.115 0.000 0.844 7 L CB 2.138 44.144 42.059 -0.089 0.000 1.436 7 L HN 0.678 nan 8.230 nan 0.000 0.483 8 T N -2.169 112.382 114.554 -0.006 0.000 2.907 8 T HA 0.599 4.948 4.350 -0.001 0.000 0.292 8 T C -0.682 173.971 174.700 -0.079 0.000 1.043 8 T CA -0.708 61.409 62.100 0.029 0.000 1.003 8 T CB 2.461 71.365 68.868 0.059 0.000 1.084 8 T HN 0.580 nan 8.240 nan 0.000 0.483 9 N N -0.556 118.072 118.700 -0.120 0.000 3.395 9 N HA 0.531 5.270 4.740 -0.001 0.000 0.293 9 N C -1.600 173.783 175.510 -0.211 0.000 1.489 9 N CA -0.410 52.492 53.050 -0.248 0.000 0.871 9 N CB 1.730 39.876 38.487 -0.569 0.000 1.649 9 N HN 0.785 nan 8.380 nan 0.000 0.501 10 S N -1.149 114.402 115.700 -0.247 0.000 2.790 10 S HA 0.865 5.334 4.470 -0.001 0.000 0.292 10 S C -1.633 172.890 174.600 -0.129 0.000 1.197 10 S CA 0.210 58.331 58.200 -0.131 0.000 0.851 10 S CB 0.720 63.975 63.200 0.093 0.000 1.217 10 S HN 1.003 nan 8.310 nan 0.000 0.526 11 S N -0.629 114.940 115.700 -0.219 0.000 2.656 11 S HA 0.305 4.775 4.470 -0.001 0.000 0.265 11 S C 0.408 174.726 174.600 -0.469 0.000 1.132 11 S CA 0.192 58.292 58.200 -0.167 0.000 0.819 11 S CB 0.225 63.332 63.200 -0.154 0.000 1.119 11 S HN 1.179 nan 8.310 nan 0.000 0.476 12 T N -1.966 112.505 114.554 -0.139 0.000 3.163 12 T HA 0.251 4.600 4.350 -0.001 0.000 0.260 12 T C 1.284 176.063 174.700 0.131 0.000 1.156 12 T CA 0.977 63.028 62.100 -0.082 0.000 1.072 12 T CB -0.686 68.354 68.868 0.287 0.000 0.937 12 T HN 1.250 nan 8.240 nan 0.000 0.528 13 G N -0.077 108.759 108.800 0.060 0.000 3.453 13 G HA2 0.569 4.528 3.960 -0.001 0.000 0.263 13 G HA3 0.569 4.528 3.960 -0.001 0.000 0.263 13 G C 0.565 175.368 174.900 -0.161 0.000 1.060 13 G CA -0.128 44.954 45.100 -0.030 0.000 0.793 13 G HN 0.962 nan 8.290 nan 0.000 0.532 14 G N -0.256 108.400 108.800 -0.240 0.000 2.570 14 G HA2 0.067 4.026 3.960 -0.001 0.000 0.686 14 G HA3 0.067 4.026 3.960 -0.001 0.000 0.686 14 G C -3.284 171.279 174.900 -0.562 0.000 1.257 14 G CA -0.937 43.880 45.100 -0.473 0.000 0.846 14 G HN 0.141 nan 8.290 nan 0.000 0.627 15 P HA 0.518 nan 4.420 nan 0.000 0.272 15 P C 0.118 177.167 177.300 -0.418 0.000 1.230 15 P CA 0.069 62.855 63.100 -0.523 0.000 0.788 15 P CB 1.303 32.650 31.700 -0.588 0.000 0.949 16 V N -2.015 117.715 119.914 -0.306 0.000 3.147 16 V HA 0.556 4.675 4.120 -0.001 0.000 0.306 16 V C -1.320 174.681 176.094 -0.154 0.000 1.209 16 V CA -1.024 61.150 62.300 -0.210 0.000 1.023 16 V CB 1.835 33.653 31.823 -0.009 0.000 1.059 16 V HN 0.293 nan 8.190 nan 0.000 0.435 17 F N 1.216 121.124 119.950 -0.070 0.000 2.415 17 F HA 0.725 5.251 4.527 -0.001 0.000 0.348 17 F C -0.010 175.754 175.800 -0.061 0.000 1.119 17 F CA -0.990 56.934 58.000 -0.126 0.000 1.069 17 F CB 2.150 41.065 39.000 -0.141 0.000 1.124 17 F HN 0.386 nan 8.300 nan 0.000 0.472 18 V N 4.860 124.832 119.914 0.096 0.000 2.384 18 V HA 0.203 4.322 4.120 -0.001 0.000 0.287 18 V C -0.840 175.229 176.094 -0.041 0.000 1.020 18 V CA -0.951 61.423 62.300 0.123 0.000 0.850 18 V CB 0.934 32.873 31.823 0.193 0.000 0.987 18 V HN 0.452 nan 8.190 nan 0.000 0.436 19 Y N 3.778 124.133 120.300 0.091 0.000 2.383 19 Y HA 0.546 5.096 4.550 -0.001 0.000 0.344 19 Y C 0.255 176.193 175.900 0.064 0.000 0.986 19 Y CA -0.423 57.709 58.100 0.052 0.000 1.175 19 Y CB 1.364 39.845 38.460 0.036 0.000 1.152 19 Y HN 0.381 nan 8.280 nan 0.000 0.511 20 V N 4.317 124.313 119.914 0.137 0.000 2.715 20 V HA 0.563 4.683 4.120 -0.001 0.000 0.310 20 V C -0.538 175.614 176.094 0.096 0.000 1.054 20 V CA -1.375 60.995 62.300 0.116 0.000 0.928 20 V CB 2.096 33.967 31.823 0.080 0.000 1.007 20 V HN 0.640 nan 8.190 nan 0.000 0.437 21 K N 2.176 122.630 120.400 0.089 0.000 2.553 21 K HA 0.334 4.653 4.320 -0.001 0.000 0.250 21 K C -1.160 175.474 176.600 0.056 0.000 0.953 21 K CA -0.511 55.816 56.287 0.067 0.000 0.800 21 K CB 1.440 33.977 32.500 0.062 0.000 1.243 21 K HN 0.740 nan 8.250 nan 0.000 0.435 22 D N 3.280 123.709 120.400 0.048 0.000 2.689 22 D HA -0.185 4.454 4.640 -0.001 0.000 0.237 22 D C 0.603 176.932 176.300 0.049 0.000 1.148 22 D CA 1.884 55.909 54.000 0.042 0.000 0.656 22 D CB -1.192 39.627 40.800 0.030 0.000 1.050 22 D HN 1.114 nan 8.370 nan 0.000 0.426 23 G N -0.038 108.799 108.800 0.062 0.000 2.168 23 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.257 23 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.257 23 G C 0.258 175.218 174.900 0.099 0.000 0.997 23 G CA 0.978 46.123 45.100 0.075 0.000 0.708 23 G HN 0.662 nan 8.290 nan 0.000 0.520 24 K N 0.062 120.522 120.400 0.100 0.000 2.397 24 K HA 0.630 4.949 4.320 -0.001 0.000 0.253 24 K C 0.275 176.980 176.600 0.174 0.000 0.932 24 K CA -1.245 55.121 56.287 0.132 0.000 0.795 24 K CB 0.978 33.504 32.500 0.043 0.000 1.159 24 K HN 0.106 nan 8.250 nan 0.000 0.424 25 I N 6.351 127.089 120.570 0.281 0.000 2.517 25 I HA -0.014 4.155 4.170 -0.001 0.000 0.285 25 I C 1.226 177.478 176.117 0.226 0.000 1.106 25 I CA 0.103 61.553 61.300 0.250 0.000 1.402 25 I CB 0.626 38.771 38.000 0.242 0.000 1.399 25 I HN 0.691 nan 8.210 nan 0.000 0.535 26 I N 5.910 126.592 120.570 0.188 0.000 2.628 26 I HA 0.038 4.207 4.170 -0.001 0.000 0.255 26 I C 0.958 177.160 176.117 0.142 0.000 1.119 26 I CA 0.527 61.913 61.300 0.144 0.000 1.448 26 I CB 0.037 38.108 38.000 0.117 0.000 1.133 26 I HN 0.670 nan 8.210 nan 0.000 0.438 27 R N 0.293 120.907 120.500 0.190 0.000 2.741 27 R HA 0.622 4.961 4.340 -0.001 0.000 0.276 27 R C -1.742 174.712 176.300 0.256 0.000 1.028 27 R CA -0.832 55.371 56.100 0.172 0.000 0.865 27 R CB 1.368 31.710 30.300 0.070 0.000 1.268 27 R HN -0.135 nan 8.270 nan 0.000 0.475 28 M N 1.455 121.181 119.600 0.209 0.000 2.326 28 M HA 0.413 4.892 4.480 -0.001 0.000 0.292 28 M C -1.061 175.349 176.300 0.183 0.000 1.081 28 M CA -0.728 54.707 55.300 0.225 0.000 0.919 28 M CB 2.754 35.456 32.600 0.170 0.000 1.634 28 M HN 0.963 nan 8.290 nan 0.000 0.451 29 T N 0.156 114.838 114.554 0.212 0.000 2.865 29 T HA 0.786 5.136 4.350 -0.001 0.000 0.294 29 T C -3.054 171.673 174.700 0.045 0.000 1.119 29 T CA -2.067 60.118 62.100 0.142 0.000 1.007 29 T CB 2.131 71.128 68.868 0.214 0.000 1.225 29 T HN 0.215 nan 8.240 nan 0.000 0.515 30 P HA 0.358 nan 4.420 nan 0.000 0.273 30 P C -0.683 176.492 177.300 -0.209 0.000 1.250 30 P CA -0.551 62.467 63.100 -0.137 0.000 0.793 30 P CB 0.316 31.956 31.700 -0.100 0.000 1.011 31 M N 0.963 120.311 119.600 -0.420 0.000 2.129 31 M HA 0.244 4.724 4.480 -0.001 0.000 0.348 31 M C -0.213 175.861 176.300 -0.376 0.000 1.116 31 M CA -0.241 54.669 55.300 -0.650 0.000 1.022 31 M CB 0.846 32.779 32.600 -1.111 0.000 1.599 31 M HN 0.162 nan 8.290 nan 0.000 0.449 32 D N 3.427 123.802 120.400 -0.043 0.000 2.256 32 D HA 0.328 4.968 4.640 -0.001 0.000 0.250 32 D C -0.708 175.699 176.300 0.178 0.000 1.093 32 D CA 0.190 54.184 54.000 -0.011 0.000 0.882 32 D CB 1.246 42.110 40.800 0.107 0.000 1.185 32 D HN 0.430 nan 8.370 nan 0.000 0.437 33 F N 0.659 120.605 119.950 -0.007 0.000 2.371 33 F HA 0.068 4.594 4.527 -0.001 0.000 0.329 33 F C 1.174 177.027 175.800 0.088 0.000 1.107 33 F CA -0.814 57.207 58.000 0.035 0.000 1.137 33 F CB 1.118 40.083 39.000 -0.058 0.000 1.214 33 F HN 0.130 nan 8.300 nan 0.000 0.536 34 D N 2.087 122.688 120.400 0.334 0.000 2.454 34 D HA 0.094 4.733 4.640 -0.001 0.000 0.225 34 D C 0.279 176.655 176.300 0.127 0.000 1.081 34 D CA -0.426 53.693 54.000 0.197 0.000 0.864 34 D CB 0.577 41.485 40.800 0.181 0.000 1.040 34 D HN 0.348 nan 8.370 nan 0.000 0.517 35 D N 2.677 123.140 120.400 0.107 0.000 2.411 35 D HA -0.105 4.534 4.640 -0.001 0.000 0.226 35 D C 1.469 177.796 176.300 0.044 0.000 0.988 35 D CA 0.490 54.531 54.000 0.068 0.000 0.938 35 D CB 0.254 41.092 40.800 0.063 0.000 0.883 35 D HN 0.534 nan 8.370 nan 0.000 0.525 36 A N 0.073 122.920 122.820 0.046 0.000 2.030 36 A HA 0.033 4.352 4.320 -0.001 0.000 0.215 36 A C 2.102 179.701 177.584 0.025 0.000 1.164 36 A CA 0.954 53.011 52.037 0.033 0.000 0.697 36 A CB 0.205 19.224 19.000 0.032 0.000 0.827 36 A HN 0.231 nan 8.150 nan 0.000 0.457 37 V N -4.316 115.611 119.914 0.020 0.000 3.562 37 V HA 0.266 4.385 4.120 -0.001 0.000 0.270 37 V C -0.673 175.401 176.094 -0.033 0.000 1.418 37 V CA -0.224 62.077 62.300 0.002 0.000 1.033 37 V CB 0.042 31.858 31.823 -0.012 0.000 0.820 37 V HN 0.148 nan 8.190 nan 0.000 0.441 38 D N 2.806 123.175 120.400 -0.052 0.000 2.232 38 D HA 0.669 5.308 4.640 -0.001 0.000 0.242 38 D C 0.503 176.711 176.300 -0.153 0.000 1.093 38 D CA 0.485 54.386 54.000 -0.165 0.000 0.845 38 D CB 1.951 42.609 40.800 -0.236 0.000 1.124 38 D HN 0.525 nan 8.370 nan 0.000 0.467 39 A N 3.901 126.599 122.820 -0.204 0.000 2.555 39 A HA 0.258 4.577 4.320 -0.001 0.000 0.233 39 A C -2.005 175.527 177.584 -0.087 0.000 1.060 39 A CA -0.585 51.374 52.037 -0.131 0.000 0.759 39 A CB -0.431 18.464 19.000 -0.176 0.000 0.995 39 A HN 0.333 nan 8.150 nan 0.000 0.506 40 P HA 0.152 nan 4.420 nan 0.000 0.268 40 P C -0.181 177.151 177.300 0.052 0.000 1.208 40 P CA 0.091 63.203 63.100 0.021 0.000 0.777 40 P CB 0.533 32.248 31.700 0.025 0.000 0.875 41 S N 1.001 116.741 115.700 0.067 0.000 2.652 41 S HA 0.359 4.828 4.470 -0.001 0.000 0.270 41 S C -0.052 174.514 174.600 -0.056 0.000 1.243 41 S CA -0.724 57.497 58.200 0.036 0.000 0.999 41 S CB 0.260 63.468 63.200 0.013 0.000 0.973 41 S HN 0.494 nan 8.310 nan 0.000 0.544 42 W N 0.634 121.973 121.300 0.066 0.000 2.093 42 W HA 0.557 5.216 4.660 -0.001 0.000 0.352 42 W C -0.689 175.862 176.519 0.053 0.000 1.294 42 W CA -0.525 56.842 57.345 0.038 0.000 1.290 42 W CB -0.107 29.359 29.460 0.011 0.000 1.149 42 W HN 0.397 nan 8.180 nan 0.000 0.606 43 K N 1.284 121.901 120.400 0.362 0.000 2.464 43 K HA 0.587 4.906 4.320 -0.001 0.000 0.253 43 K C -1.114 175.707 176.600 0.369 0.000 0.933 43 K CA -0.927 55.494 56.287 0.224 0.000 0.801 43 K CB 2.655 35.196 32.500 0.069 0.000 1.271 43 K HN 0.363 nan 8.250 nan 0.000 0.430 44 I N 2.340 123.118 120.570 0.346 0.000 2.436 44 I HA 0.212 4.382 4.170 -0.001 0.000 0.289 44 I C -0.835 175.396 176.117 0.190 0.000 1.010 44 I CA -0.811 60.652 61.300 0.271 0.000 1.098 44 I CB 2.043 40.221 38.000 0.297 0.000 1.266 44 I HN 0.460 nan 8.210 nan 0.000 0.434 45 E N 5.318 125.585 120.200 0.111 0.000 2.109 45 E HA 0.710 5.059 4.350 -0.001 0.000 0.278 45 E C -0.791 175.858 176.600 0.082 0.000 0.954 45 E CA -0.271 56.163 56.400 0.057 0.000 0.779 45 E CB 1.738 31.448 29.700 0.018 0.000 1.093 45 E HN 0.629 nan 8.360 nan 0.000 0.401 46 A N 3.192 126.089 122.820 0.129 0.000 2.520 46 A HA 0.565 4.884 4.320 -0.001 0.000 0.298 46 A C -0.521 177.137 177.584 0.124 0.000 1.051 46 A CA -0.922 51.190 52.037 0.124 0.000 0.690 46 A CB 0.897 19.989 19.000 0.154 0.000 1.281 46 A HN 0.707 nan 8.150 nan 0.000 0.402 47 R N 1.150 121.683 120.500 0.054 0.000 3.387 47 R HA -0.251 4.088 4.340 -0.001 0.000 0.254 47 R C 1.159 177.471 176.300 0.019 0.000 1.006 47 R CA 1.216 57.343 56.100 0.046 0.000 0.677 47 R CB -2.075 28.273 30.300 0.080 0.000 1.063 47 R HN 2.527 nan 8.270 nan 0.000 0.453 48 G N -0.726 108.070 108.800 -0.008 0.000 2.189 48 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.267 48 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.267 48 G C 0.128 174.967 174.900 -0.102 0.000 0.975 48 G CA 1.102 46.178 45.100 -0.041 0.000 0.644 48 G HN 0.443 nan 8.290 nan 0.000 0.537 49 K N -0.144 120.157 120.400 -0.165 0.000 2.221 49 K HA 0.645 4.964 4.320 -0.001 0.000 0.243 49 K C -0.631 175.645 176.600 -0.540 0.000 0.968 49 K CA -0.520 55.526 56.287 -0.400 0.000 0.846 49 K CB 1.595 33.729 32.500 -0.611 0.000 1.141 49 K HN 0.035 nan 8.250 nan 0.000 0.434 50 T N 2.011 116.184 114.554 -0.635 0.000 2.772 50 T HA 0.427 4.776 4.350 -0.001 0.000 0.288 50 T C -0.973 173.285 174.700 -0.737 0.000 0.994 50 T CA -0.522 61.283 62.100 -0.492 0.000 0.951 50 T CB 0.031 68.744 68.868 -0.259 0.000 0.933 50 T HN 0.224 nan 8.240 nan 0.000 0.447 51 F N 1.948 121.687 119.950 -0.351 0.000 2.411 51 F HA 0.590 5.117 4.527 -0.001 0.000 0.352 51 F C 0.889 176.430 175.800 -0.433 0.000 1.123 51 F CA -0.707 56.879 58.000 -0.690 0.000 1.044 51 F CB 1.883 40.203 39.000 -1.134 0.000 1.135 51 F HN 0.343 nan 8.300 nan 0.000 0.461 52 T N 4.978 119.410 114.554 -0.203 0.000 2.952 52 T HA 0.473 4.822 4.350 -0.001 0.000 0.305 52 T C -2.745 171.946 174.700 -0.015 0.000 1.064 52 T CA -1.840 60.086 62.100 -0.291 0.000 1.008 52 T CB 1.548 70.290 68.868 -0.210 0.000 1.078 52 T HN 0.318 nan 8.240 nan 0.000 0.459 53 P HA 0.420 nan 4.420 nan 0.000 0.274 53 P C -2.792 174.558 177.300 0.083 0.000 1.256 53 P CA -1.371 61.746 63.100 0.029 0.000 0.795 53 P CB -0.546 31.071 31.700 -0.139 0.000 1.038 54 P HA 0.217 nan 4.420 nan 0.000 0.275 54 P C 0.289 177.602 177.300 0.022 0.000 1.228 54 P CA -0.118 63.010 63.100 0.048 0.000 0.786 54 P CB 0.317 32.017 31.700 0.000 0.000 0.927 55 R N 2.671 123.136 120.500 -0.059 0.000 4.779 55 R HA 0.147 4.486 4.340 -0.001 0.000 0.217 55 R C 0.399 176.320 176.300 -0.632 0.000 1.934 55 R CA 0.358 56.359 56.100 -0.165 0.000 1.623 55 R CB -0.607 29.704 30.300 0.019 0.000 1.364 55 R HN 0.489 nan 8.270 nan 0.000 0.799 56 K N -0.226 119.692 120.400 -0.804 0.000 2.579 56 K HA 0.194 4.513 4.320 -0.001 0.000 0.284 56 K C -0.708 175.526 176.600 -0.611 0.000 0.990 56 K CA -0.514 55.270 56.287 -0.838 0.000 0.880 56 K CB 1.745 34.025 32.500 -0.365 0.000 1.488 56 K HN 0.093 nan 8.250 nan 0.000 0.425 57 T N -1.497 112.781 114.554 -0.460 0.000 2.922 57 T HA 0.690 5.039 4.350 -0.001 0.000 0.281 57 T C -0.252 174.401 174.700 -0.079 0.000 1.005 57 T CA -0.504 61.512 62.100 -0.139 0.000 0.982 57 T CB 1.289 70.028 68.868 -0.214 0.000 1.158 57 T HN 0.623 nan 8.240 nan 0.000 0.566 58 S N -0.195 115.529 115.700 0.041 0.000 2.564 58 S HA 0.765 5.234 4.470 -0.001 0.000 0.274 58 S C -0.571 174.039 174.600 0.016 0.000 1.124 58 S CA -1.065 57.167 58.200 0.053 0.000 0.869 58 S CB 1.046 64.338 63.200 0.153 0.000 1.105 58 S HN 1.218 nan 8.310 nan 0.000 0.472 59 I N -1.189 119.381 120.570 0.001 0.000 3.108 59 I HA 0.962 5.131 4.170 -0.001 0.000 0.312 59 I C -0.150 175.883 176.117 -0.140 0.000 1.095 59 I CA -1.646 59.595 61.300 -0.099 0.000 1.000 59 I CB 1.575 39.506 38.000 -0.115 0.000 1.229 59 I HN 0.856 nan 8.210 nan 0.000 0.454 60 A N 3.008 125.599 122.820 -0.382 0.000 2.264 60 A HA 0.687 5.006 4.320 -0.001 0.000 0.304 60 A C -1.951 175.342 177.584 -0.485 0.000 1.100 60 A CA -1.690 49.962 52.037 -0.643 0.000 0.839 60 A CB 0.139 18.415 19.000 -1.206 0.000 1.121 60 A HN 0.693 nan 8.150 nan 0.000 0.496 61 P HA -0.239 nan 4.420 nan 0.000 0.215 61 P C 0.968 178.219 177.300 -0.083 0.000 1.163 61 P CA 2.328 65.396 63.100 -0.054 0.000 0.894 61 P CB -0.283 31.529 31.700 0.187 0.000 0.791 62 Y N -2.287 118.050 120.300 0.062 0.000 2.403 62 Y HA -0.042 4.508 4.550 -0.001 0.000 0.291 62 Y C 2.007 177.988 175.900 0.136 0.000 1.143 62 Y CA 1.185 59.318 58.100 0.055 0.000 1.257 62 Y CB -2.290 36.182 38.460 0.021 0.000 0.984 62 Y HN -0.149 nan 8.280 nan 0.000 0.550 63 T N 0.376 114.897 114.554 -0.056 0.000 2.937 63 T HA 0.074 4.423 4.350 -0.001 0.000 0.260 63 T C 2.229 176.985 174.700 0.094 0.000 1.051 63 T CA 1.023 63.174 62.100 0.084 0.000 1.141 63 T CB -0.434 68.380 68.868 -0.089 0.000 0.879 63 T HN 0.549 nan 8.240 nan 0.000 0.459 64 A N 0.997 123.830 122.820 0.021 0.000 1.972 64 A HA 0.131 4.451 4.320 -0.001 0.000 0.219 64 A C 2.196 179.851 177.584 0.118 0.000 1.169 64 A CA 1.665 53.736 52.037 0.056 0.000 0.635 64 A CB -0.739 18.280 19.000 0.032 0.000 0.810 64 A HN 0.504 nan 8.150 nan 0.000 0.446 65 G N -2.872 106.011 108.800 0.139 0.000 3.393 65 G HA2 0.243 4.202 3.960 -0.001 0.000 0.255 65 G HA3 0.243 4.202 3.960 -0.001 0.000 0.255 65 G C 0.834 175.763 174.900 0.049 0.000 1.097 65 G CA 0.180 45.389 45.100 0.182 0.000 0.780 65 G HN 0.341 nan 8.290 nan 0.000 0.540 66 F N 1.492 121.408 119.950 -0.058 0.000 2.192 66 F HA -0.089 4.437 4.527 -0.001 0.000 0.301 66 F C 2.474 178.121 175.800 -0.256 0.000 1.079 66 F CA 1.741 59.657 58.000 -0.142 0.000 1.303 66 F CB 0.276 39.190 39.000 -0.144 0.000 1.024 66 F HN 0.190 nan 8.300 nan 0.000 0.494 67 K N 0.099 120.428 120.400 -0.118 0.000 2.103 67 K HA -0.213 4.106 4.320 -0.001 0.000 0.207 67 K C 2.152 178.570 176.600 -0.303 0.000 1.048 67 K CA 1.679 57.849 56.287 -0.195 0.000 0.930 67 K CB -0.334 32.182 32.500 0.027 0.000 0.716 67 K HN 0.397 nan 8.250 nan 0.000 0.444 68 S N -0.272 115.136 115.700 -0.486 0.000 2.515 68 S HA -0.069 4.400 4.470 -0.001 0.000 0.231 68 S C 1.753 176.081 174.600 -0.453 0.000 0.987 68 S CA 0.663 58.459 58.200 -0.674 0.000 0.936 68 S CB -0.085 62.188 63.200 -1.545 0.000 0.766 68 S HN 0.295 nan 8.310 nan 0.000 0.528 69 M N 0.328 119.611 119.600 -0.529 0.000 2.466 69 M HA 0.300 4.779 4.480 -0.001 0.000 0.265 69 M C 1.839 178.050 176.300 -0.148 0.000 1.122 69 M CA 0.765 55.775 55.300 -0.484 0.000 1.157 69 M CB -0.222 31.806 32.600 -0.954 0.000 1.352 69 M HN 0.297 nan 8.290 nan 0.000 0.464 70 I N -0.946 119.395 120.570 -0.381 0.000 2.252 70 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 70 I C 0.906 176.864 176.117 -0.265 0.000 1.102 70 I CA 1.285 62.382 61.300 -0.338 0.000 1.385 70 I CB -0.117 37.516 38.000 -0.612 0.000 1.064 70 I HN 0.219 nan 8.210 nan 0.000 0.414 71 Y N 0.695 120.960 120.300 -0.059 0.000 2.645 71 Y HA 0.258 4.808 4.550 -0.001 0.000 0.307 71 Y C 1.172 177.053 175.900 -0.030 0.000 1.151 71 Y CA -0.747 57.332 58.100 -0.036 0.000 1.291 71 Y CB -0.549 37.887 38.460 -0.039 0.000 1.135 71 Y HN -0.085 nan 8.280 nan 0.000 0.523 72 S N 0.979 116.749 115.700 0.116 0.000 2.572 72 S HA -0.002 4.468 4.470 -0.001 0.000 0.279 72 S C 0.954 175.625 174.600 0.120 0.000 1.341 72 S CA -0.401 57.858 58.200 0.100 0.000 1.043 72 S CB 0.532 63.829 63.200 0.163 0.000 0.887 72 S HN 0.565 nan 8.310 nan 0.000 0.516 73 D N 3.392 123.840 120.400 0.082 0.000 2.328 73 D HA 0.054 4.693 4.640 -0.001 0.000 0.226 73 D C 1.029 177.395 176.300 0.111 0.000 1.066 73 D CA 0.330 54.360 54.000 0.049 0.000 0.861 73 D CB -0.169 40.630 40.800 -0.002 0.000 0.912 73 D HN 0.479 nan 8.370 nan 0.000 0.521 74 L N -0.821 120.535 121.223 0.222 0.000 2.640 74 L HA 0.258 4.597 4.340 -0.001 0.000 0.230 74 L C 0.861 177.984 176.870 0.421 0.000 1.123 74 L CA -0.643 54.428 54.840 0.385 0.000 0.900 74 L CB 0.130 42.375 42.059 0.310 0.000 1.146 74 L HN -0.089 nan 8.230 nan 0.000 0.484 75 R N 1.629 122.313 120.500 0.307 0.000 2.570 75 R HA 0.119 4.458 4.340 -0.001 0.000 0.277 75 R C -0.173 176.146 176.300 0.032 0.000 1.039 75 R CA 0.099 56.250 56.100 0.084 0.000 1.065 75 R CB 0.135 30.434 30.300 -0.001 0.000 0.964 75 R HN 0.044 nan 8.270 nan 0.000 0.428 76 I N 8.786 129.309 120.570 -0.077 0.000 2.581 76 I HA 0.025 4.195 4.170 -0.001 0.000 0.285 76 I C -1.397 174.606 176.117 -0.189 0.000 1.129 76 I CA -1.389 59.848 61.300 -0.104 0.000 1.397 76 I CB 1.055 38.963 38.000 -0.153 0.000 1.399 76 I HN 0.669 nan 8.210 nan 0.000 0.537 77 P HA -0.064 nan 4.420 nan 0.000 0.215 77 P C -0.920 176.169 177.300 -0.352 0.000 1.157 77 P CA 1.333 64.148 63.100 -0.474 0.000 0.859 77 P CB 0.187 31.336 31.700 -0.920 0.000 0.786 78 Y N -6.955 113.317 120.300 -0.046 0.000 2.750 78 Y HA 0.628 5.177 4.550 -0.001 0.000 0.335 78 Y C -3.238 172.504 175.900 -0.263 0.000 1.252 78 Y CA -3.958 54.075 58.100 -0.112 0.000 1.064 78 Y CB -0.829 37.586 38.460 -0.075 0.000 1.321 78 Y HN -0.393 nan 8.280 nan 0.000 0.451 79 P HA 0.222 nan 4.420 nan 0.000 0.265 79 P C -0.871 176.400 177.300 -0.048 0.000 1.193 79 P CA 0.621 63.479 63.100 -0.403 0.000 0.765 79 P CB 0.360 31.643 31.700 -0.696 0.000 0.823 80 M N 2.443 122.010 119.600 -0.055 0.000 2.591 80 M HA 0.464 4.943 4.480 -0.001 0.000 0.306 80 M C -0.141 176.247 176.300 0.148 0.000 1.190 80 M CA -0.620 54.732 55.300 0.086 0.000 0.889 80 M CB 2.871 35.479 32.600 0.013 0.000 1.728 80 M HN 0.099 nan 8.290 nan 0.000 0.458 81 K N 1.638 122.194 120.400 0.261 0.000 2.443 81 K HA 0.466 4.785 4.320 -0.001 0.000 0.252 81 K C -1.131 175.615 176.600 0.242 0.000 0.933 81 K CA -0.777 55.669 56.287 0.264 0.000 0.792 81 K CB 2.160 34.773 32.500 0.188 0.000 1.185 81 K HN 0.757 nan 8.250 nan 0.000 0.425 82 R N 3.909 124.482 120.500 0.122 0.000 2.404 82 R HA 0.018 4.357 4.340 -0.001 0.000 0.315 82 R C 0.448 176.737 176.300 -0.018 0.000 1.032 82 R CA 0.404 56.360 56.100 -0.240 0.000 0.992 82 R CB 0.514 30.680 30.300 -0.225 0.000 0.959 82 R HN 0.700 nan 8.270 nan 0.000 0.428 83 K N 1.508 121.859 120.400 -0.082 0.000 2.059 83 K HA -0.196 4.123 4.320 -0.001 0.000 0.212 83 K C 1.694 178.307 176.600 0.022 0.000 1.050 83 K CA 2.295 58.578 56.287 -0.007 0.000 0.927 83 K CB -0.078 32.407 32.500 -0.025 0.000 0.714 83 K HN 0.723 nan 8.250 nan 0.000 0.447 84 S N 0.452 116.158 115.700 0.011 0.000 2.595 84 S HA -0.097 4.372 4.470 -0.001 0.000 0.235 84 S C 0.399 175.068 174.600 0.115 0.000 0.974 84 S CA 0.074 58.300 58.200 0.043 0.000 0.942 84 S CB -0.428 62.788 63.200 0.028 0.000 0.766 84 S HN 0.233 nan 8.310 nan 0.000 0.536 85 F N 3.001 122.951 119.950 -0.001 0.000 2.385 85 F HA 0.514 5.040 4.527 -0.001 0.000 0.360 85 F C -0.538 175.292 175.800 0.049 0.000 1.122 85 F CA -1.524 56.503 58.000 0.045 0.000 1.090 85 F CB 0.920 39.969 39.000 0.082 0.000 1.150 85 F HN -0.054 nan 8.300 nan 0.000 0.472 86 D N 8.885 128.896 120.400 -0.647 0.000 2.453 86 D HA 0.326 4.966 4.640 -0.001 0.000 0.238 86 D C -2.079 173.748 176.300 -0.788 0.000 1.088 86 D CA -2.378 51.286 54.000 -0.559 0.000 0.854 86 D CB 2.163 42.812 40.800 -0.252 0.000 1.076 86 D HN 0.236 nan 8.370 nan 0.000 0.533 87 P HA -0.097 nan 4.420 nan 0.000 0.216 87 P C 0.159 177.309 177.300 -0.249 0.000 1.150 87 P CA 1.196 63.993 63.100 -0.505 0.000 0.843 87 P CB 0.310 31.875 31.700 -0.226 0.000 0.787 88 N N -1.872 116.712 118.700 -0.193 0.000 2.251 88 N HA 0.244 4.983 4.740 -0.001 0.000 0.217 88 N C 0.775 176.230 175.510 -0.093 0.000 1.124 88 N CA 0.146 53.132 53.050 -0.107 0.000 0.843 88 N CB 0.545 38.989 38.487 -0.072 0.000 1.024 88 N HN 0.130 nan 8.380 nan 0.000 0.501 89 G N -0.742 107.982 108.800 -0.127 0.000 3.255 89 G HA2 0.120 4.079 3.960 -0.001 0.000 0.161 89 G HA3 0.120 4.079 3.960 -0.001 0.000 0.161 89 G C -1.126 173.725 174.900 -0.082 0.000 1.173 89 G CA -0.416 44.633 45.100 -0.085 0.000 1.106 89 G HN -0.078 nan 8.290 nan 0.000 0.650 90 E N 1.264 121.422 120.200 -0.070 0.000 2.217 90 E HA 0.272 4.621 4.350 -0.001 0.000 0.279 90 E C 0.922 177.487 176.600 -0.059 0.000 1.068 90 E CA -0.131 56.247 56.400 -0.037 0.000 0.882 90 E CB 1.654 31.345 29.700 -0.015 0.000 1.039 90 E HN 0.409 nan 8.360 nan 0.000 0.418 91 R N 2.110 122.612 120.500 0.003 0.000 2.246 91 R HA 0.045 4.384 4.340 -0.001 0.000 0.199 91 R C -0.094 176.349 176.300 0.239 0.000 0.984 91 R CA -0.168 55.997 56.100 0.108 0.000 1.015 91 R CB 0.097 30.548 30.300 0.253 0.000 0.930 91 R HN 0.469 nan 8.270 nan 0.000 0.475 92 N N 0.859 119.643 118.700 0.140 0.000 2.669 92 N HA -0.123 4.616 4.740 -0.001 0.000 0.266 92 N C -2.234 173.374 175.510 0.163 0.000 1.024 92 N CA 0.369 53.495 53.050 0.127 0.000 0.766 92 N CB -0.558 37.988 38.487 0.098 0.000 0.898 92 N HN 0.204 nan 8.380 nan 0.000 0.548 93 P HA -0.189 nan 4.420 nan 0.000 0.218 93 P C 1.742 179.131 177.300 0.148 0.000 1.148 93 P CA 1.173 64.378 63.100 0.174 0.000 0.822 93 P CB 0.142 31.935 31.700 0.154 0.000 0.784 94 Q N -0.083 119.785 119.800 0.112 0.000 2.500 94 Q HA -0.086 4.253 4.340 -0.001 0.000 0.213 94 Q C 1.296 177.358 176.000 0.104 0.000 0.974 94 Q CA 1.273 57.137 55.803 0.101 0.000 0.918 94 Q CB -1.083 27.696 28.738 0.069 0.000 0.980 94 Q HN 0.340 nan 8.270 nan 0.000 0.505 95 L N 0.575 121.859 121.223 0.102 0.000 2.667 95 L HA 0.294 4.633 4.340 -0.001 0.000 0.232 95 L C 0.476 177.385 176.870 0.066 0.000 1.138 95 L CA -0.334 54.550 54.840 0.073 0.000 0.921 95 L CB 0.216 42.306 42.059 0.052 0.000 1.180 95 L HN -0.030 nan 8.230 nan 0.000 0.487 96 R N 0.758 121.333 120.500 0.125 0.000 2.370 96 R HA 0.269 4.608 4.340 -0.001 0.000 0.309 96 R C 1.110 177.502 176.300 0.153 0.000 1.059 96 R CA 0.738 56.924 56.100 0.143 0.000 0.981 96 R CB 0.397 30.851 30.300 0.258 0.000 0.972 96 R HN 0.294 nan 8.270 nan 0.000 0.437 97 G N 1.912 110.645 108.800 -0.113 0.000 2.157 97 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.248 97 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.248 97 G C 0.903 175.694 174.900 -0.180 0.000 0.979 97 G CA 0.246 45.088 45.100 -0.430 0.000 0.650 97 G HN 0.717 nan 8.290 nan 0.000 0.529 98 A N 0.145 122.918 122.820 -0.077 0.000 1.940 98 A HA 0.275 4.594 4.320 -0.001 0.000 0.219 98 A C 2.776 180.330 177.584 -0.050 0.000 1.176 98 A CA 2.367 54.384 52.037 -0.034 0.000 0.631 98 A CB -0.920 18.070 19.000 -0.017 0.000 0.814 98 A HN 1.631 nan 8.150 nan 0.000 0.446 99 G N -0.322 108.433 108.800 -0.074 0.000 2.421 99 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.216 99 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.216 99 G C 1.419 176.284 174.900 -0.058 0.000 1.171 99 G CA 1.128 46.205 45.100 -0.037 0.000 0.775 99 G HN 0.377 nan 8.290 nan 0.000 0.543 100 L N 1.310 122.450 121.223 -0.140 0.000 2.081 100 L HA -0.041 4.299 4.340 -0.001 0.000 0.212 100 L C 2.931 179.736 176.870 -0.108 0.000 1.080 100 L CA 1.874 56.607 54.840 -0.178 0.000 0.754 100 L CB -0.601 41.259 42.059 -0.332 0.000 0.893 100 L HN 0.178 nan 8.230 nan 0.000 0.433 101 S N -0.707 114.957 115.700 -0.061 0.000 2.474 101 S HA -0.110 4.360 4.470 -0.001 0.000 0.235 101 S C 1.337 175.933 174.600 -0.006 0.000 0.997 101 S CA 1.092 59.288 58.200 -0.008 0.000 0.949 101 S CB -0.200 63.016 63.200 0.027 0.000 0.766 101 S HN 0.616 nan 8.310 nan 0.000 0.517 102 K N 0.289 120.681 120.400 -0.013 0.000 2.537 102 K HA 0.339 4.658 4.320 -0.001 0.000 0.206 102 K C -0.510 176.090 176.600 0.000 0.000 1.041 102 K CA -0.211 56.076 56.287 -0.000 0.000 1.090 102 K CB 0.240 32.745 32.500 0.007 0.000 0.833 102 K HN -0.158 nan 8.250 nan 0.000 0.493 103 Q N 1.250 121.038 119.800 -0.019 0.000 2.457 103 Q HA -0.203 4.136 4.340 -0.001 0.000 0.283 103 Q C -1.004 175.012 176.000 0.027 0.000 1.234 103 Q CA 1.582 57.375 55.803 -0.016 0.000 0.877 103 Q CB -1.703 27.028 28.738 -0.013 0.000 1.250 103 Q HN 0.628 nan 8.270 nan 0.000 0.481 104 D N -2.343 118.080 120.400 0.039 0.000 2.846 104 D HA 0.265 4.905 4.640 -0.001 0.000 0.279 104 D C -2.163 174.210 176.300 0.121 0.000 1.222 104 D CA -1.839 52.220 54.000 0.098 0.000 0.769 104 D CB 0.895 41.745 40.800 0.082 0.000 1.299 104 D HN -0.123 nan 8.370 nan 0.000 0.537 105 P HA -0.096 nan 4.420 nan 0.000 0.215 105 P C 1.272 178.750 177.300 0.298 0.000 1.157 105 P CA 1.137 64.317 63.100 0.133 0.000 0.874 105 P CB 0.073 31.792 31.700 0.032 0.000 0.790 106 W N 0.501 121.953 121.300 0.253 0.000 2.350 106 W HA -0.152 4.507 4.660 -0.001 0.000 0.289 106 W C 2.661 179.242 176.519 0.104 0.000 1.215 106 W CA 1.758 59.144 57.345 0.067 0.000 1.236 106 W CB -1.397 28.010 29.460 -0.090 0.000 1.130 106 W HN 0.007 nan 8.180 nan 0.000 0.541 107 S N -0.738 115.138 115.700 0.294 0.000 2.469 107 S HA -0.197 4.272 4.470 -0.001 0.000 0.238 107 S C 1.342 176.001 174.600 0.098 0.000 0.998 107 S CA 1.579 59.879 58.200 0.165 0.000 0.957 107 S CB -0.367 62.898 63.200 0.108 0.000 0.764 107 S HN 0.149 nan 8.310 nan 0.000 0.514 108 D N 0.211 120.663 120.400 0.087 0.000 2.277 108 D HA 0.163 4.802 4.640 -0.001 0.000 0.208 108 D C -0.230 175.850 176.300 -0.365 0.000 0.962 108 D CA 0.664 54.565 54.000 -0.165 0.000 0.865 108 D CB 0.053 40.674 40.800 -0.299 0.000 0.939 108 D HN 0.516 nan 8.370 nan 0.000 0.510 109 Y N 0.208 120.551 120.300 0.071 0.000 2.567 109 Y HA 0.394 4.943 4.550 -0.001 0.000 0.333 109 Y C 0.532 176.485 175.900 0.087 0.000 1.106 109 Y CA -1.151 56.992 58.100 0.071 0.000 1.157 109 Y CB 1.163 39.650 38.460 0.046 0.000 1.277 109 Y HN -0.225 nan 8.280 nan 0.000 0.490 110 E N 0.417 120.758 120.200 0.235 0.000 2.369 110 E HA 0.530 4.879 4.350 -0.001 0.000 0.270 110 E C -1.275 175.411 176.600 0.144 0.000 0.909 110 E CA -1.397 55.091 56.400 0.147 0.000 0.775 110 E CB 2.307 32.052 29.700 0.076 0.000 1.270 110 E HN 0.580 nan 8.360 nan 0.000 0.445 111 R N 2.031 122.552 120.500 0.036 0.000 2.490 111 R HA 0.498 4.838 4.340 -0.001 0.000 0.278 111 R C -0.281 175.953 176.300 -0.109 0.000 1.069 111 R CA -0.277 55.751 56.100 -0.120 0.000 1.080 111 R CB 0.496 30.440 30.300 -0.593 0.000 1.030 111 R HN 0.711 nan 8.270 nan 0.000 0.491 112 I N -0.688 119.818 120.570 -0.108 0.000 3.006 112 I HA 0.394 4.563 4.170 -0.001 0.000 0.306 112 I C -0.479 175.571 176.117 -0.110 0.000 1.250 112 I CA -1.153 60.099 61.300 -0.080 0.000 0.996 112 I CB 2.242 40.227 38.000 -0.025 0.000 1.261 112 I HN 0.712 nan 8.210 nan 0.000 0.442 113 S N 1.654 117.317 115.700 -0.062 0.000 2.600 113 S HA 0.246 4.715 4.470 -0.001 0.000 0.265 113 S C 0.261 174.847 174.600 -0.022 0.000 1.325 113 S CA -0.253 57.936 58.200 -0.018 0.000 1.002 113 S CB 0.730 63.951 63.200 0.036 0.000 0.921 113 S HN 0.867 nan 8.310 nan 0.000 0.554 114 W N 0.549 121.847 121.300 -0.004 0.000 2.388 114 W HA -0.009 4.650 4.660 -0.001 0.000 0.294 114 W C 2.259 178.744 176.519 -0.056 0.000 1.212 114 W CA 1.409 58.736 57.345 -0.030 0.000 1.271 114 W CB -0.439 28.997 29.460 -0.039 0.000 1.126 114 W HN 0.920 nan 8.180 nan 0.000 0.535 115 D N 0.166 120.685 120.400 0.199 0.000 2.092 115 D HA -0.275 4.364 4.640 -0.001 0.000 0.193 115 D C 1.933 178.272 176.300 0.065 0.000 0.994 115 D CA 2.004 56.065 54.000 0.101 0.000 0.828 115 D CB -0.241 40.606 40.800 0.077 0.000 0.963 115 D HN 0.259 nan 8.370 nan 0.000 0.450 116 E N -0.570 119.662 120.200 0.054 0.000 2.072 116 E HA -0.141 4.209 4.350 -0.001 0.000 0.190 116 E C 2.029 178.657 176.600 0.047 0.000 0.982 116 E CA 0.933 57.359 56.400 0.042 0.000 0.803 116 E CB -0.229 29.488 29.700 0.030 0.000 0.755 116 E HN 0.290 nan 8.360 nan 0.000 0.453 117 A N 0.718 123.550 122.820 0.019 0.000 1.883 117 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 117 A C 2.487 180.117 177.584 0.075 0.000 1.186 117 A CA 2.682 54.727 52.037 0.013 0.000 0.624 117 A CB -1.392 17.527 19.000 -0.135 0.000 0.822 117 A HN 0.556 nan 8.150 nan 0.000 0.444 118 T N -2.644 111.933 114.554 0.038 0.000 2.904 118 T HA -0.115 4.234 4.350 -0.001 0.000 0.267 118 T C 1.395 176.159 174.700 0.106 0.000 1.059 118 T CA 1.446 63.530 62.100 -0.026 0.000 1.137 118 T CB -0.439 68.219 68.868 -0.349 0.000 0.879 118 T HN 0.329 nan 8.240 nan 0.000 0.467 119 D N 1.435 121.881 120.400 0.077 0.000 2.117 119 D HA 0.029 4.668 4.640 -0.001 0.000 0.197 119 D C 2.034 178.392 176.300 0.097 0.000 0.987 119 D CA 0.745 54.797 54.000 0.087 0.000 0.829 119 D CB -0.360 40.477 40.800 0.060 0.000 0.961 119 D HN 0.436 nan 8.370 nan 0.000 0.460 120 I N 0.149 120.777 120.570 0.097 0.000 2.226 120 I HA -0.229 3.940 4.170 -0.001 0.000 0.245 120 I C 2.342 178.480 176.117 0.035 0.000 1.100 120 I CA 0.612 61.956 61.300 0.072 0.000 1.374 120 I CB -0.147 37.934 38.000 0.135 0.000 1.057 120 I HN -0.088 nan 8.210 nan 0.000 0.413 121 V N 0.289 120.313 119.914 0.184 0.000 2.358 121 V HA -0.217 3.902 4.120 -0.001 0.000 0.246 121 V C 2.448 178.652 176.094 0.183 0.000 1.047 121 V CA 1.405 63.845 62.300 0.235 0.000 1.035 121 V CB -0.357 31.652 31.823 0.311 0.000 0.658 121 V HN 0.225 nan 8.190 nan 0.000 0.452 122 V N 0.444 120.526 119.914 0.280 0.000 2.332 122 V HA -0.296 3.823 4.120 -0.001 0.000 0.248 122 V C 2.729 178.898 176.094 0.124 0.000 1.055 122 V CA 2.151 64.600 62.300 0.248 0.000 1.038 122 V CB -1.132 30.848 31.823 0.263 0.000 0.651 122 V HN 0.570 nan 8.190 nan 0.000 0.450 123 A N -0.643 122.218 122.820 0.069 0.000 1.933 123 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 123 A C 2.196 179.777 177.584 -0.005 0.000 1.175 123 A CA 1.671 53.723 52.037 0.024 0.000 0.628 123 A CB -0.385 18.615 19.000 0.001 0.000 0.814 123 A HN 0.533 nan 8.150 nan 0.000 0.444 124 E N 0.009 120.163 120.200 -0.075 0.000 2.072 124 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 124 E C 2.009 178.649 176.600 0.067 0.000 0.985 124 E CA 0.966 57.307 56.400 -0.099 0.000 0.801 124 E CB -0.429 29.008 29.700 -0.438 0.000 0.750 124 E HN 0.733 nan 8.360 nan 0.000 0.452 125 I N 1.846 122.482 120.570 0.110 0.000 2.127 125 I HA -0.297 3.872 4.170 -0.001 0.000 0.241 125 I C 1.949 178.127 176.117 0.101 0.000 1.075 125 I CA 1.060 62.454 61.300 0.157 0.000 1.334 125 I CB -0.343 37.767 38.000 0.183 0.000 1.040 125 I HN 0.050 nan 8.210 nan 0.000 0.405 126 N N 0.591 119.324 118.700 0.054 0.000 2.188 126 N HA -0.180 4.559 4.740 -0.001 0.000 0.184 126 N C 1.862 177.364 175.510 -0.013 0.000 1.018 126 N CA 1.018 54.049 53.050 -0.032 0.000 0.858 126 N CB -0.458 38.008 38.487 -0.035 0.000 0.989 126 N HN 0.368 nan 8.380 nan 0.000 0.426 127 R N 1.114 121.644 120.500 0.051 0.000 2.070 127 R HA 0.024 4.363 4.340 -0.001 0.000 0.233 127 R C 2.187 178.561 176.300 0.123 0.000 1.137 127 R CA 1.016 57.166 56.100 0.083 0.000 0.945 127 R CB -0.303 30.046 30.300 0.080 0.000 0.845 127 R HN 0.112 nan 8.270 nan 0.000 0.430 128 I N 0.991 121.669 120.570 0.180 0.000 2.226 128 I HA -0.281 3.888 4.170 -0.001 0.000 0.245 128 I C 2.313 178.580 176.117 0.251 0.000 1.100 128 I CA 1.514 62.995 61.300 0.302 0.000 1.374 128 I CB -0.220 37.971 38.000 0.318 0.000 1.057 128 I HN 0.238 nan 8.210 nan 0.000 0.413 129 K N -0.205 120.292 120.400 0.161 0.000 2.057 129 K HA -0.189 4.130 4.320 -0.001 0.000 0.207 129 K C 1.990 178.687 176.600 0.161 0.000 1.049 129 K CA 1.486 57.853 56.287 0.134 0.000 0.931 129 K CB -0.304 32.221 32.500 0.042 0.000 0.714 129 K HN 0.487 nan 8.250 nan 0.000 0.440 130 H N -1.145 117.953 119.070 0.046 0.000 2.529 130 H HA 0.049 4.604 4.556 -0.001 0.000 0.277 130 H C 1.623 176.907 175.328 -0.074 0.000 0.999 130 H CA 0.344 56.392 56.048 -0.000 0.000 1.256 130 H CB 0.398 30.161 29.762 0.003 0.000 1.402 130 H HN 0.253 nan 8.280 nan 0.000 0.566 131 A N -0.478 122.320 122.820 -0.038 0.000 2.108 131 A HA 0.056 4.376 4.320 -0.001 0.000 0.206 131 A C 0.867 178.079 177.584 -0.620 0.000 1.212 131 A CA 0.260 52.060 52.037 -0.395 0.000 0.843 131 A CB 0.242 18.871 19.000 -0.618 0.000 0.902 131 A HN 0.291 nan 8.150 nan 0.000 0.477 132 Y N -1.255 119.119 120.300 0.122 0.000 2.441 132 Y HA 0.456 5.005 4.550 -0.001 0.000 0.266 132 Y C 1.189 177.167 175.900 0.130 0.000 1.093 132 Y CA -0.133 58.036 58.100 0.117 0.000 1.246 132 Y CB 0.486 39.020 38.460 0.123 0.000 1.262 132 Y HN 0.501 nan 8.280 nan 0.000 0.518 133 G N 0.500 109.453 108.800 0.256 0.000 2.570 133 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.686 133 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.686 133 G C -2.401 172.637 174.900 0.231 0.000 1.257 133 G CA -0.689 44.544 45.100 0.221 0.000 0.846 133 G HN -0.095 nan 8.290 nan 0.000 0.627 134 P HA -0.125 nan 4.420 nan 0.000 0.216 134 P C 2.241 179.657 177.300 0.194 0.000 1.150 134 P CA 2.551 65.761 63.100 0.184 0.000 0.843 134 P CB -0.040 31.748 31.700 0.148 0.000 0.787 135 S N -0.668 115.150 115.700 0.196 0.000 2.465 135 S HA -0.105 4.364 4.470 -0.001 0.000 0.241 135 S C 1.940 176.648 174.600 0.181 0.000 1.000 135 S CA 1.067 59.355 58.200 0.147 0.000 0.964 135 S CB -1.277 62.041 63.200 0.196 0.000 0.763 135 S HN 0.143 nan 8.310 nan 0.000 0.512 136 A N 0.916 123.867 122.820 0.220 0.000 2.206 136 A HA 0.395 4.715 4.320 -0.001 0.000 0.211 136 A C 0.944 178.652 177.584 0.207 0.000 1.158 136 A CA 0.115 52.271 52.037 0.199 0.000 0.761 136 A CB -0.460 18.677 19.000 0.228 0.000 0.801 136 A HN 0.623 nan 8.150 nan 0.000 0.473 137 I N 1.364 122.081 120.570 0.245 0.000 2.287 137 I HA 0.216 4.385 4.170 -0.001 0.000 0.290 137 I C -0.394 175.916 176.117 0.322 0.000 1.069 137 I CA -0.518 60.966 61.300 0.306 0.000 1.237 137 I CB 0.966 39.176 38.000 0.350 0.000 1.418 137 I HN 0.174 nan 8.210 nan 0.000 0.481 138 L N 6.488 127.871 121.223 0.268 0.000 2.375 138 L HA 0.575 4.915 4.340 -0.001 0.000 0.271 138 L C -0.008 177.162 176.870 0.501 0.000 1.107 138 L CA 0.697 55.656 54.840 0.198 0.000 0.806 138 L CB 1.503 43.433 42.059 -0.214 0.000 1.146 138 L HN 0.602 nan 8.230 nan 0.000 0.447 139 S N 2.343 118.395 115.700 0.588 0.000 2.543 139 S HA 0.739 5.208 4.470 -0.001 0.000 0.274 139 S C -1.133 173.919 174.600 0.754 0.000 1.149 139 S CA -0.185 58.470 58.200 0.758 0.000 0.866 139 S CB 1.332 64.863 63.200 0.552 0.000 1.111 139 S HN 1.014 nan 8.310 nan 0.000 0.457 140 T N 3.896 118.848 114.554 0.664 0.000 3.289 140 T HA 0.558 4.907 4.350 -0.001 0.000 0.370 140 T C -2.956 171.889 174.700 0.242 0.000 1.546 140 T CA -0.732 61.644 62.100 0.461 0.000 1.144 140 T CB 1.706 70.757 68.868 0.304 0.000 1.379 140 T HN 0.453 nan 8.240 nan 0.000 0.478 141 P HA 0.665 nan 4.420 nan 0.000 0.325 141 P C -0.394 176.933 177.300 0.045 0.000 1.382 141 P CA -0.192 62.871 63.100 -0.061 0.000 0.863 141 P CB 0.958 32.317 31.700 -0.568 0.000 2.140 142 S N -2.883 112.803 115.700 -0.024 0.000 2.688 142 S HA 0.339 4.808 4.470 -0.001 0.000 0.275 142 S C 1.296 175.739 174.600 -0.262 0.000 1.175 142 S CA -0.280 57.793 58.200 -0.212 0.000 0.818 142 S CB 0.515 63.639 63.200 -0.126 0.000 1.157 142 S HN 0.240 nan 8.310 nan 0.000 0.482 143 S N 1.136 116.606 115.700 -0.382 0.000 2.368 143 S HA -0.081 4.389 4.470 -0.001 0.000 0.226 143 S C 0.541 174.886 174.600 -0.426 0.000 1.044 143 S CA 1.397 59.413 58.200 -0.307 0.000 1.062 143 S CB -0.451 62.574 63.200 -0.291 0.000 0.931 143 S HN 0.629 nan 8.310 nan 0.000 0.440 144 H N -0.582 118.580 119.070 0.153 0.000 2.615 144 H HA 0.572 5.127 4.556 -0.001 0.000 0.346 144 H C -0.113 175.318 175.328 0.172 0.000 1.200 144 H CA -0.337 55.870 56.048 0.265 0.000 1.264 144 H CB 1.249 31.233 29.762 0.371 0.000 1.699 144 H HN 0.266 nan 8.280 nan 0.000 0.567 145 H N 0.709 119.847 119.070 0.114 0.000 2.990 145 H HA 0.142 4.697 4.556 -0.001 0.000 0.336 145 H C -0.575 174.815 175.328 0.105 0.000 1.306 145 H CA -0.685 55.300 56.048 -0.106 0.000 1.118 145 H CB 1.755 31.043 29.762 -0.791 0.000 1.856 145 H HN 0.365 nan 8.280 nan 0.000 0.538 146 M N 1.648 121.259 119.600 0.019 0.000 2.248 146 M HA -0.097 4.383 4.480 -0.001 0.000 0.345 146 M C 0.726 177.321 176.300 0.492 0.000 1.243 146 M CA 0.407 55.864 55.300 0.262 0.000 1.090 146 M CB -0.296 32.381 32.600 0.127 0.000 1.683 146 M HN 0.425 nan 8.290 nan 0.000 0.450 147 W N 2.320 123.740 121.300 0.200 0.000 2.148 147 W HA 0.324 4.984 4.660 -0.001 0.000 0.347 147 W C 0.304 176.937 176.519 0.189 0.000 1.288 147 W CA 0.815 58.270 57.345 0.183 0.000 1.252 147 W CB 0.931 30.416 29.460 0.042 0.000 1.156 147 W HN 0.767 nan 8.180 nan 0.000 0.580 148 G N 3.439 112.076 108.800 -0.271 0.000 2.952 148 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.431 148 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.431 148 G C -0.106 174.691 174.900 -0.172 0.000 1.325 148 G CA -0.639 44.378 45.100 -0.138 0.000 1.146 148 G HN 0.501 nan 8.290 nan 0.000 0.581 149 N N 0.452 118.983 118.700 -0.282 0.000 2.188 149 N HA -0.084 4.656 4.740 -0.001 0.000 0.184 149 N C 2.499 177.889 175.510 -0.200 0.000 1.018 149 N CA 1.478 54.353 53.050 -0.290 0.000 0.858 149 N CB 0.044 38.287 38.487 -0.407 0.000 0.989 149 N HN 0.452 nan 8.380 nan 0.000 0.426 150 V N -0.024 119.755 119.914 -0.224 0.000 2.379 150 V HA -0.032 4.087 4.120 -0.001 0.000 0.245 150 V C 2.114 178.214 176.094 0.009 0.000 1.044 150 V CA 1.899 64.129 62.300 -0.116 0.000 1.036 150 V CB -0.885 30.879 31.823 -0.098 0.000 0.664 150 V HN 0.366 nan 8.190 nan 0.000 0.453 151 G N -2.376 106.464 108.800 0.067 0.000 2.985 151 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.209 151 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.209 151 G C 0.441 175.391 174.900 0.084 0.000 1.165 151 G CA -0.203 44.994 45.100 0.161 0.000 0.776 151 G HN 0.424 nan 8.290 nan 0.000 0.541 152 Y N 1.661 121.847 120.300 -0.189 0.000 2.550 152 Y HA 0.056 4.605 4.550 -0.001 0.000 0.343 152 Y C 2.384 178.023 175.900 -0.435 0.000 1.245 152 Y CA 0.016 57.802 58.100 -0.524 0.000 1.462 152 Y CB 0.785 39.041 38.460 -0.339 0.000 1.340 152 Y HN 0.220 nan 8.280 nan 0.000 0.604 153 R N 0.814 120.838 120.500 -0.793 0.000 2.159 153 R HA -0.215 4.124 4.340 -0.001 0.000 0.237 153 R C 0.916 176.961 176.300 -0.425 0.000 1.131 153 R CA 2.236 57.977 56.100 -0.597 0.000 0.982 153 R CB -0.718 29.087 30.300 -0.824 0.000 0.868 153 R HN 0.754 nan 8.270 nan 0.000 0.453 154 H N 0.023 119.047 119.070 -0.076 0.000 2.524 154 H HA 0.085 4.640 4.556 -0.001 0.000 0.282 154 H C 1.945 177.404 175.328 0.219 0.000 1.016 154 H CA 1.313 57.433 56.048 0.120 0.000 1.270 154 H CB 0.346 30.293 29.762 0.309 0.000 1.394 154 H HN 0.302 nan 8.280 nan 0.000 0.568 155 S N -1.312 114.532 115.700 0.241 0.000 2.583 155 S HA -0.031 4.439 4.470 -0.001 0.000 0.203 155 S C 2.085 176.770 174.600 0.142 0.000 0.952 155 S CA 0.770 59.084 58.200 0.190 0.000 0.887 155 S CB -0.348 62.938 63.200 0.144 0.000 0.857 155 S HN 0.317 nan 8.310 nan 0.000 0.611 156 T N 1.129 115.771 114.554 0.148 0.000 2.701 156 T HA -0.045 4.304 4.350 -0.001 0.000 0.263 156 T C 1.565 176.393 174.700 0.213 0.000 1.040 156 T CA 1.764 64.024 62.100 0.267 0.000 1.147 156 T CB -0.725 68.388 68.868 0.409 0.000 0.865 156 T HN 0.519 nan 8.240 nan 0.000 0.426 157 Y N 0.975 121.242 120.300 -0.056 0.000 2.081 157 Y HA -0.205 4.344 4.550 -0.001 0.000 0.280 157 Y C 1.992 177.677 175.900 -0.358 0.000 1.163 157 Y CA 1.415 59.305 58.100 -0.350 0.000 1.135 157 Y CB -0.698 37.358 38.460 -0.673 0.000 0.970 157 Y HN 0.276 nan 8.280 nan 0.000 0.498 158 F N -0.133 119.702 119.950 -0.191 0.000 2.171 158 F HA -0.204 4.322 4.527 -0.001 0.000 0.300 158 F C 2.806 178.451 175.800 -0.258 0.000 1.090 158 F CA 1.042 58.867 58.000 -0.293 0.000 1.293 158 F CB -0.294 38.641 39.000 -0.108 0.000 1.013 158 F HN -0.012 nan 8.300 nan 0.000 0.486 159 R N 0.034 120.594 120.500 0.100 0.000 2.096 159 R HA -0.227 4.112 4.340 -0.001 0.000 0.235 159 R C 2.174 178.535 176.300 0.102 0.000 1.127 159 R CA 1.711 57.880 56.100 0.115 0.000 0.968 159 R CB -0.471 29.926 30.300 0.161 0.000 0.861 159 R HN 0.318 nan 8.270 nan 0.000 0.440 160 F N 0.508 120.340 119.950 -0.198 0.000 2.094 160 F HA -0.106 4.420 4.527 -0.001 0.000 0.291 160 F C 2.108 177.483 175.800 -0.709 0.000 1.109 160 F CA 1.123 58.752 58.000 -0.618 0.000 1.221 160 F CB -0.161 38.031 39.000 -1.348 0.000 1.014 160 F HN -0.097 nan 8.300 nan 0.000 0.473 161 M N 0.816 119.849 119.600 -0.944 0.000 2.144 161 M HA -0.272 4.207 4.480 -0.001 0.000 0.260 161 M C 1.755 177.600 176.300 -0.759 0.000 1.067 161 M CA 1.642 56.225 55.300 -1.195 0.000 1.095 161 M CB -1.933 29.527 32.600 -1.900 0.000 1.365 161 M HN 0.371 nan 8.290 nan 0.000 0.406 162 N N -0.134 118.317 118.700 -0.414 0.000 2.289 162 N HA -0.096 4.643 4.740 -0.001 0.000 0.184 162 N C 1.326 176.735 175.510 -0.169 0.000 1.016 162 N CA 0.929 53.902 53.050 -0.128 0.000 0.872 162 N CB -0.071 38.348 38.487 -0.113 0.000 0.973 162 N HN 0.419 nan 8.380 nan 0.000 0.433 163 M N -0.636 118.773 119.600 -0.319 0.000 2.428 163 M HA 0.161 4.641 4.480 -0.001 0.000 0.239 163 M C 1.541 177.631 176.300 -0.350 0.000 1.121 163 M CA 0.209 55.345 55.300 -0.274 0.000 1.019 163 M CB 0.491 32.945 32.600 -0.244 0.000 1.485 163 M HN 0.206 nan 8.290 nan 0.000 0.484 164 M N 0.019 119.342 119.600 -0.463 0.000 3.127 164 M HA 0.308 4.787 4.480 -0.001 0.000 0.228 164 M C 1.091 177.331 176.300 -0.100 0.000 1.558 164 M CA 1.237 56.314 55.300 -0.371 0.000 1.349 164 M CB -0.155 32.054 32.600 -0.652 0.000 1.098 164 M HN 0.187 nan 8.290 nan 0.000 0.582 165 G N -0.158 108.639 108.800 -0.005 0.000 3.271 165 G HA2 0.562 4.521 3.960 -0.001 0.000 0.174 165 G HA3 0.562 4.521 3.960 -0.001 0.000 0.174 165 G C -0.778 174.309 174.900 0.312 0.000 1.385 165 G CA -0.042 45.196 45.100 0.231 0.000 0.979 165 G HN 0.564 nan 8.290 nan 0.000 0.610 166 F N -3.333 116.595 119.950 -0.036 0.000 2.878 166 F HA 0.573 5.099 4.527 -0.001 0.000 0.322 166 F C -1.199 174.623 175.800 0.036 0.000 1.154 166 F CA -1.178 56.835 58.000 0.022 0.000 0.896 166 F CB 1.169 40.174 39.000 0.009 0.000 1.313 166 F HN 0.395 nan 8.300 nan 0.000 0.451 167 T N 1.998 116.526 114.554 -0.042 0.000 2.749 167 T HA 0.307 4.656 4.350 -0.001 0.000 0.287 167 T C -1.594 173.092 174.700 -0.024 0.000 0.970 167 T CA -0.201 61.810 62.100 -0.149 0.000 0.980 167 T CB 0.359 69.222 68.868 -0.007 0.000 0.924 167 T HN 0.548 nan 8.240 nan 0.000 0.456 168 Y N 2.888 122.990 120.300 -0.331 0.000 2.320 168 Y HA 0.533 5.082 4.550 -0.001 0.000 0.334 168 Y C 0.065 175.979 175.900 0.025 0.000 1.055 168 Y CA -1.882 56.200 58.100 -0.030 0.000 1.143 168 Y CB 0.783 39.194 38.460 -0.083 0.000 1.193 168 Y HN 0.678 nan 8.280 nan 0.000 0.477 169 A N 6.044 128.689 122.820 -0.292 0.000 2.923 169 A HA 0.162 4.481 4.320 -0.001 0.000 0.306 169 A C -0.142 177.049 177.584 -0.656 0.000 1.542 169 A CA -0.558 51.278 52.037 -0.335 0.000 1.225 169 A CB -0.815 18.075 19.000 -0.182 0.000 1.147 169 A HN 0.769 nan 8.150 nan 0.000 0.542 170 D N 1.640 121.745 120.400 -0.491 0.000 2.488 170 D HA -0.008 4.631 4.640 -0.001 0.000 0.238 170 D C -0.029 176.144 176.300 -0.212 0.000 1.138 170 D CA 0.622 54.347 54.000 -0.458 0.000 0.873 170 D CB 0.422 41.163 40.800 -0.098 0.000 1.183 170 D HN 0.542 nan 8.370 nan 0.000 0.458 171 H N 2.438 121.408 119.070 -0.167 0.000 2.683 171 H HA 0.086 4.641 4.556 -0.001 0.000 0.339 171 H C 0.609 176.062 175.328 0.208 0.000 1.081 171 H CA -0.410 55.628 56.048 -0.016 0.000 1.432 171 H CB 0.323 30.086 29.762 0.002 0.000 1.462 171 H HN 0.399 nan 8.280 nan 0.000 0.557 172 N N 3.895 122.819 118.700 0.372 0.000 2.508 172 N HA 0.037 4.777 4.740 -0.001 0.000 0.264 172 N C -2.507 173.303 175.510 0.500 0.000 1.216 172 N CA -1.609 51.681 53.050 0.401 0.000 0.943 172 N CB 0.933 39.611 38.487 0.318 0.000 1.113 172 N HN 0.301 nan 8.380 nan 0.000 0.447 173 P HA 0.012 nan 4.420 nan 0.000 0.235 173 P C -0.093 177.382 177.300 0.293 0.000 1.720 173 P CA -0.165 62.892 63.100 -0.071 0.000 1.003 173 P CB -0.361 30.872 31.700 -0.778 0.000 1.968 174 D N 0.227 120.812 120.400 0.307 0.000 2.204 174 D HA -0.258 4.381 4.640 -0.001 0.000 0.189 174 D C 1.529 177.850 176.300 0.036 0.000 1.006 174 D CA 1.835 55.937 54.000 0.169 0.000 0.855 174 D CB -1.377 39.476 40.800 0.090 0.000 0.946 174 D HN 0.125 nan 8.370 nan 0.000 0.448 175 S N -0.995 114.586 115.700 -0.198 0.000 2.383 175 S HA -0.125 4.345 4.470 -0.001 0.000 0.229 175 S C 1.505 175.655 174.600 -0.750 0.000 1.030 175 S CA 1.253 58.875 58.200 -0.964 0.000 1.002 175 S CB -0.411 61.570 63.200 -2.031 0.000 0.829 175 S HN 0.481 nan 8.310 nan 0.000 0.467 176 W N 1.068 122.361 121.300 -0.012 0.000 3.013 176 W HA 0.201 4.861 4.660 -0.001 0.000 0.280 176 W C 1.381 178.098 176.519 0.331 0.000 1.249 176 W CA -0.463 57.048 57.345 0.278 0.000 1.577 176 W CB -0.356 29.213 29.460 0.182 0.000 1.057 176 W HN 0.209 nan 8.180 nan 0.000 0.613 177 E N 0.788 121.270 120.200 0.469 0.000 2.813 177 E HA -0.325 4.024 4.350 -0.001 0.000 0.233 177 E C 2.080 178.997 176.600 0.528 0.000 0.922 177 E CA 2.507 59.224 56.400 0.529 0.000 1.351 177 E CB -1.552 28.381 29.700 0.390 0.000 1.349 177 E HN 0.316 nan 8.360 nan 0.000 0.485 178 G N -0.032 108.962 108.800 0.322 0.000 2.513 178 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.219 178 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.219 178 G C 1.466 176.368 174.900 0.004 0.000 1.160 178 G CA 1.346 46.505 45.100 0.097 0.000 0.767 178 G HN 0.356 nan 8.290 nan 0.000 0.571 179 W N -0.453 120.974 121.300 0.211 0.000 2.388 179 W HA 0.063 4.722 4.660 -0.001 0.000 0.294 179 W C 2.456 179.046 176.519 0.119 0.000 1.212 179 W CA 0.881 58.308 57.345 0.137 0.000 1.271 179 W CB -0.503 29.088 29.460 0.219 0.000 1.126 179 W HN 0.273 nan 8.180 nan 0.000 0.535 180 H N -1.199 118.016 119.070 0.240 0.000 2.284 180 H HA -0.159 4.396 4.556 -0.001 0.000 0.304 180 H C 1.319 176.541 175.328 -0.176 0.000 1.069 180 H CA 2.137 58.119 56.048 -0.109 0.000 1.327 180 H CB -0.849 28.721 29.762 -0.322 0.000 1.387 180 H HN 0.204 nan 8.280 nan 0.000 0.498 181 W N 0.326 121.830 121.300 0.340 0.000 2.905 181 W HA 0.197 4.856 4.660 -0.001 0.000 0.251 181 W C 2.226 178.899 176.519 0.257 0.000 1.305 181 W CA 0.516 58.033 57.345 0.286 0.000 1.465 181 W CB 0.178 29.812 29.460 0.291 0.000 1.122 181 W HN 0.298 nan 8.180 nan 0.000 0.659 182 G N -0.765 108.228 108.800 0.322 0.000 2.639 182 G HA2 0.123 4.082 3.960 -0.001 0.000 0.201 182 G HA3 0.123 4.082 3.960 -0.001 0.000 0.201 182 G C 1.613 176.542 174.900 0.048 0.000 1.260 182 G CA 0.356 45.572 45.100 0.192 0.000 0.749 182 G HN 0.158 nan 8.290 nan 0.000 0.611 183 G N 1.074 109.805 108.800 -0.114 0.000 2.469 183 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.220 183 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.220 183 G C 1.787 176.681 174.900 -0.010 0.000 1.136 183 G CA 1.330 46.297 45.100 -0.222 0.000 0.759 183 G HN 0.353 nan 8.290 nan 0.000 0.562 184 M N -0.032 119.585 119.600 0.030 0.000 2.144 184 M HA -0.153 4.326 4.480 -0.001 0.000 0.260 184 M C 2.275 178.482 176.300 -0.156 0.000 1.067 184 M CA 1.494 56.749 55.300 -0.075 0.000 1.095 184 M CB -0.280 32.087 32.600 -0.389 0.000 1.365 184 M HN 0.343 nan 8.290 nan 0.000 0.406 185 H N -1.230 117.837 119.070 -0.006 0.000 2.495 185 H HA -0.075 4.481 4.556 -0.001 0.000 0.287 185 H C 1.902 177.232 175.328 0.005 0.000 1.033 185 H CA 1.535 57.579 56.048 -0.006 0.000 1.307 185 H CB -0.238 29.518 29.762 -0.010 0.000 1.401 185 H HN 0.538 nan 8.280 nan 0.000 0.555 186 M N 0.099 119.729 119.600 0.051 0.000 2.325 186 M HA -0.059 4.420 4.480 -0.001 0.000 0.265 186 M C 1.005 177.350 176.300 0.074 0.000 1.094 186 M CA 1.145 56.412 55.300 -0.055 0.000 1.161 186 M CB 0.411 32.812 32.600 -0.331 0.000 1.358 186 M HN 0.301 nan 8.290 nan 0.000 0.446 187 W N -0.413 120.836 121.300 -0.084 0.000 2.055 187 W HA 0.619 5.278 4.660 -0.001 0.000 0.293 187 W C 0.252 176.710 176.519 -0.102 0.000 0.886 187 W CA -0.190 57.108 57.345 -0.078 0.000 1.384 187 W CB -1.151 28.289 29.460 -0.033 0.000 1.068 187 W HN 0.445 nan 8.180 nan 0.000 0.513 188 G N 1.961 110.875 108.800 0.191 0.000 2.554 188 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.253 188 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.253 188 G C 0.312 175.054 174.900 -0.264 0.000 1.172 188 G CA 0.592 45.628 45.100 -0.106 0.000 0.950 188 G HN 0.563 nan 8.290 nan 0.000 0.557 189 F N 0.689 120.143 119.950 -0.826 0.000 3.093 189 F HA -0.236 4.290 4.527 -0.001 0.000 0.287 189 F C 2.292 177.370 175.800 -1.203 0.000 0.882 189 F CA 1.698 58.759 58.000 -1.565 0.000 1.063 189 F CB -1.853 36.470 39.000 -1.128 0.000 1.097 189 F HN 1.331 nan 8.300 nan 0.000 0.604 190 S N -0.151 115.171 115.700 -0.630 0.000 2.374 190 S HA -0.271 4.198 4.470 -0.001 0.000 0.227 190 S C 1.613 176.098 174.600 -0.191 0.000 1.037 190 S CA 1.508 59.523 58.200 -0.309 0.000 1.024 190 S CB -0.990 62.138 63.200 -0.121 0.000 0.861 190 S HN 0.728 nan 8.310 nan 0.000 0.456 191 W N 1.444 122.773 121.300 0.048 0.000 2.632 191 W HA 0.250 4.909 4.660 -0.001 0.000 0.248 191 W C 1.710 178.344 176.519 0.192 0.000 1.259 191 W CA 0.187 57.644 57.345 0.186 0.000 1.288 191 W CB -0.312 29.247 29.460 0.164 0.000 1.136 191 W HN 0.123 nan 8.180 nan 0.000 0.640 192 R N 0.644 120.882 120.500 -0.437 0.000 2.543 192 R HA 0.263 4.602 4.340 -0.001 0.000 0.323 192 R C 0.549 176.622 176.300 -0.378 0.000 1.002 192 R CA -0.242 55.665 56.100 -0.321 0.000 1.106 192 R CB -0.104 29.932 30.300 -0.439 0.000 1.280 192 R HN 0.170 nan 8.270 nan 0.000 0.549 193 L N 0.315 121.230 121.223 -0.512 0.000 3.737 193 L HA -0.325 4.014 4.340 -0.001 0.000 0.418 193 L C 0.815 177.580 176.870 -0.175 0.000 1.216 193 L CA 0.815 55.300 54.840 -0.592 0.000 0.915 193 L CB -1.857 39.376 42.059 -1.377 0.000 1.834 193 L HN 0.674 nan 8.230 nan 0.000 0.943 194 G N -2.323 106.413 108.800 -0.106 0.000 2.254 194 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.225 194 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.225 194 G C 0.301 175.351 174.900 0.250 0.000 1.003 194 G CA 0.185 45.420 45.100 0.225 0.000 0.622 194 G HN 0.388 nan 8.290 nan 0.000 0.507 195 N N 2.542 121.168 118.700 -0.123 0.000 2.467 195 N HA 0.491 5.230 4.740 -0.001 0.000 0.262 195 N C -2.320 172.597 175.510 -0.988 0.000 1.234 195 N CA -0.911 51.826 53.050 -0.522 0.000 0.952 195 N CB 1.249 39.403 38.487 -0.554 0.000 1.158 195 N HN 0.302 nan 8.380 nan 0.000 0.463 196 P HA 0.161 nan 4.420 nan 0.000 0.282 196 P C -0.555 176.228 177.300 -0.862 0.000 1.259 196 P CA -0.438 61.684 63.100 -1.630 0.000 0.826 196 P CB 1.057 32.174 31.700 -0.973 0.000 1.064 197 E N 1.273 121.161 120.200 -0.521 0.000 2.392 197 E HA 0.085 4.435 4.350 -0.001 0.000 0.259 197 E C 0.159 176.607 176.600 -0.254 0.000 1.108 197 E CA -0.511 55.771 56.400 -0.197 0.000 0.916 197 E CB 0.234 30.111 29.700 0.295 0.000 0.989 197 E HN 0.296 nan 8.360 nan 0.000 0.432 198 Q N 0.755 120.312 119.800 -0.405 0.000 2.093 198 Q HA 0.089 4.429 4.340 -0.001 0.000 0.217 198 Q C -0.884 174.981 176.000 -0.226 0.000 0.785 198 Q CA -0.306 55.340 55.803 -0.262 0.000 1.038 198 Q CB 0.239 28.830 28.738 -0.246 0.000 1.190 198 Q HN 0.562 nan 8.270 nan 0.000 0.468 199 Y N 2.277 122.519 120.300 -0.097 0.000 2.895 199 Y HA -0.169 4.380 4.550 -0.001 0.000 0.334 199 Y C 0.959 176.887 175.900 0.047 0.000 1.261 199 Y CA 0.563 58.623 58.100 -0.067 0.000 1.560 199 Y CB 0.190 38.597 38.460 -0.089 0.000 1.253 199 Y HN 0.165 nan 8.280 nan 0.000 0.582 200 D N 1.974 122.564 120.400 0.316 0.000 2.792 200 D HA -0.260 4.379 4.640 -0.001 0.000 0.231 200 D C 0.779 177.022 176.300 -0.095 0.000 1.160 200 D CA 0.808 54.881 54.000 0.122 0.000 0.697 200 D CB -0.784 40.116 40.800 0.167 0.000 1.070 200 D HN 0.657 nan 8.370 nan 0.000 0.426 201 L N -0.564 120.509 121.223 -0.250 0.000 2.341 201 L HA -0.065 4.274 4.340 -0.001 0.000 0.214 201 L C 2.424 178.694 176.870 -1.000 0.000 1.115 201 L CA 0.097 54.543 54.840 -0.656 0.000 0.820 201 L CB -0.068 41.416 42.059 -0.959 0.000 0.944 201 L HN 0.143 nan 8.230 nan 0.000 0.452 202 L N 0.495 121.371 121.223 -0.577 0.000 2.017 202 L HA -0.244 4.095 4.340 -0.001 0.000 0.208 202 L C 2.421 179.086 176.870 -0.342 0.000 1.073 202 L CA 2.014 56.625 54.840 -0.381 0.000 0.745 202 L CB -0.484 41.522 42.059 -0.087 0.000 0.894 202 L HN 0.299 nan 8.230 nan 0.000 0.432 203 E N -1.094 118.950 120.200 -0.261 0.000 2.150 203 E HA -0.284 4.065 4.350 -0.001 0.000 0.193 203 E C 1.818 178.306 176.600 -0.185 0.000 0.985 203 E CA 1.352 57.650 56.400 -0.170 0.000 0.814 203 E CB -0.149 29.490 29.700 -0.101 0.000 0.752 203 E HN 0.652 nan 8.360 nan 0.000 0.466 204 D N -0.623 119.640 120.400 -0.228 0.000 2.117 204 D HA -0.090 4.549 4.640 -0.001 0.000 0.197 204 D C 1.884 178.109 176.300 -0.126 0.000 0.987 204 D CA 1.651 55.597 54.000 -0.090 0.000 0.829 204 D CB -0.427 40.325 40.800 -0.081 0.000 0.961 204 D HN 0.285 nan 8.370 nan 0.000 0.460 205 G N 0.116 108.599 108.800 -0.529 0.000 2.402 205 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.216 205 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.216 205 G C 1.721 176.559 174.900 -0.103 0.000 1.162 205 G CA 0.380 45.193 45.100 -0.478 0.000 0.777 205 G HN 0.312 nan 8.290 nan 0.000 0.539 206 L N -0.177 120.956 121.223 -0.150 0.000 2.083 206 L HA -0.053 4.286 4.340 -0.001 0.000 0.209 206 L C 2.932 179.740 176.870 -0.103 0.000 1.083 206 L CA 1.215 55.972 54.840 -0.139 0.000 0.752 206 L CB -0.225 41.666 42.059 -0.280 0.000 0.899 206 L HN 0.194 nan 8.230 nan 0.000 0.433 207 K N -1.374 118.912 120.400 -0.190 0.000 2.116 207 K HA -0.041 4.278 4.320 -0.001 0.000 0.203 207 K C 1.578 177.895 176.600 -0.472 0.000 1.052 207 K CA 0.810 56.870 56.287 -0.379 0.000 0.952 207 K CB 0.155 32.279 32.500 -0.627 0.000 0.729 207 K HN 0.431 nan 8.250 nan 0.000 0.446 208 H N -1.364 117.765 119.070 0.098 0.000 3.241 208 H HA 0.269 4.824 4.556 -0.001 0.000 0.260 208 H C 0.197 175.651 175.328 0.211 0.000 1.084 208 H CA -0.153 55.978 56.048 0.138 0.000 1.203 208 H CB 0.386 30.228 29.762 0.133 0.000 1.524 208 H HN 0.019 nan 8.280 nan 0.000 0.521 209 A N 1.572 124.617 122.820 0.374 0.000 2.540 209 A HA 0.074 4.394 4.320 -0.001 0.000 0.239 209 A C 0.778 178.513 177.584 0.252 0.000 1.061 209 A CA 0.357 52.647 52.037 0.423 0.000 0.758 209 A CB 0.438 19.672 19.000 0.391 0.000 0.991 209 A HN 0.461 nan 8.150 nan 0.000 0.502 210 E N 0.572 120.901 120.200 0.216 0.000 2.500 210 E HA 0.262 4.611 4.350 -0.001 0.000 0.217 210 E C -0.073 176.595 176.600 0.114 0.000 0.848 210 E CA 0.180 56.661 56.400 0.135 0.000 1.217 210 E CB 0.630 30.394 29.700 0.105 0.000 1.217 210 E HN 0.787 nan 8.360 nan 0.000 0.573 211 M N 1.019 120.699 119.600 0.133 0.000 2.534 211 M HA 0.418 4.897 4.480 -0.001 0.000 0.280 211 M C -2.203 174.132 176.300 0.057 0.000 1.217 211 M CA -0.435 54.916 55.300 0.084 0.000 0.893 211 M CB 2.260 34.865 32.600 0.009 0.000 1.730 211 M HN -0.130 nan 8.290 nan 0.000 0.483 212 I N 3.550 124.115 120.570 -0.008 0.000 2.534 212 I HA 0.421 4.590 4.170 -0.001 0.000 0.288 212 I C -1.080 174.715 176.117 -0.537 0.000 1.077 212 I CA -0.997 60.122 61.300 -0.302 0.000 1.051 212 I CB 2.270 39.969 38.000 -0.502 0.000 1.234 212 I HN 0.362 nan 8.210 nan 0.000 0.425 213 V N 6.593 126.131 119.914 -0.627 0.000 2.304 213 V HA 0.280 4.400 4.120 -0.001 0.000 0.269 213 V C -0.383 175.415 176.094 -0.493 0.000 1.036 213 V CA -0.368 61.606 62.300 -0.544 0.000 0.840 213 V CB 0.285 31.745 31.823 -0.604 0.000 1.036 213 V HN 0.376 nan 8.190 nan 0.000 0.466 214 F N 4.386 124.052 119.950 -0.472 0.000 2.439 214 F HA 0.260 4.786 4.527 -0.001 0.000 0.356 214 F C 0.249 176.013 175.800 -0.061 0.000 1.161 214 F CA -0.155 57.605 58.000 -0.399 0.000 1.151 214 F CB 0.396 38.812 39.000 -0.974 0.000 1.222 214 F HN 0.489 nan 8.300 nan 0.000 0.558 215 W N 4.101 125.497 121.300 0.159 0.000 2.329 215 W HA 0.271 4.930 4.660 -0.001 0.000 0.312 215 W C 0.708 177.438 176.519 0.351 0.000 1.054 215 W CA -1.166 56.371 57.345 0.319 0.000 1.245 215 W CB 1.378 31.126 29.460 0.479 0.000 1.255 215 W HN 0.520 nan 8.180 nan 0.000 0.436 216 S N 3.601 119.627 115.700 0.543 0.000 3.614 216 S HA -0.229 4.240 4.470 -0.001 0.000 0.360 216 S C -0.273 174.482 174.600 0.259 0.000 1.023 216 S CA 1.388 59.745 58.200 0.260 0.000 1.114 216 S CB -1.204 61.931 63.200 -0.108 0.000 0.907 216 S HN 0.557 nan 8.310 nan 0.000 0.470 217 S N 0.836 116.710 115.700 0.290 0.000 2.561 217 S HA 0.585 5.055 4.470 -0.001 0.000 0.303 217 S C -1.290 173.415 174.600 0.175 0.000 1.110 217 S CA -0.434 57.908 58.200 0.238 0.000 1.034 217 S CB 1.704 65.090 63.200 0.311 0.000 1.010 217 S HN 0.426 nan 8.310 nan 0.000 0.482 218 D N 5.263 125.713 120.400 0.083 0.000 2.513 218 D HA 0.410 5.049 4.640 -0.001 0.000 0.295 218 D C -1.984 174.300 176.300 -0.027 0.000 1.202 218 D CA -2.000 52.009 54.000 0.016 0.000 0.849 218 D CB 1.402 42.212 40.800 0.016 0.000 1.116 218 D HN 0.223 nan 8.370 nan 0.000 0.502 219 P HA -0.165 nan 4.420 nan 0.000 0.216 219 P C 1.275 178.534 177.300 -0.069 0.000 1.154 219 P CA 1.041 64.087 63.100 -0.090 0.000 0.865 219 P CB 0.518 32.129 31.700 -0.147 0.000 0.789 220 E N -0.852 119.322 120.200 -0.044 0.000 2.031 220 E HA -0.125 4.224 4.350 -0.001 0.000 0.193 220 E C 2.066 178.704 176.600 0.062 0.000 0.994 220 E CA 1.564 58.009 56.400 0.075 0.000 0.800 220 E CB -1.434 28.308 29.700 0.070 0.000 0.752 220 E HN 0.247 nan 8.360 nan 0.000 0.447 221 T N 2.378 116.947 114.554 0.024 0.000 2.652 221 T HA -0.103 4.246 4.350 -0.001 0.000 0.267 221 T C 1.615 176.251 174.700 -0.107 0.000 1.039 221 T CA 1.391 63.471 62.100 -0.032 0.000 1.153 221 T CB -0.181 68.709 68.868 0.036 0.000 0.863 221 T HN 0.146 nan 8.240 nan 0.000 0.428 222 N N 0.786 119.431 118.700 -0.092 0.000 2.333 222 N HA -0.042 4.697 4.740 -0.001 0.000 0.178 222 N C 1.390 176.826 175.510 -0.123 0.000 1.018 222 N CA 1.135 54.118 53.050 -0.111 0.000 0.882 222 N CB -0.020 38.408 38.487 -0.098 0.000 0.984 222 N HN 0.555 nan 8.380 nan 0.000 0.434 223 S N -1.236 114.386 115.700 -0.130 0.000 3.257 223 S HA -0.246 4.223 4.470 -0.001 0.000 0.300 223 S C 1.169 175.696 174.600 -0.121 0.000 1.275 223 S CA 2.111 60.224 58.200 -0.145 0.000 1.023 223 S CB -1.959 61.118 63.200 -0.205 0.000 1.180 223 S HN 0.767 nan 8.310 nan 0.000 0.660 224 G N 1.115 109.860 108.800 -0.090 0.000 4.890 224 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.221 224 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.221 224 G C 0.111 175.004 174.900 -0.012 0.000 1.472 224 G CA 0.058 45.109 45.100 -0.081 0.000 0.962 224 G HN 2.015 nan 8.290 nan 0.000 0.671 225 I N -2.096 118.410 120.570 -0.106 0.000 2.660 225 I HA 0.308 4.477 4.170 -0.001 0.000 0.290 225 I C 0.480 176.473 176.117 -0.205 0.000 1.735 225 I CA -0.110 61.039 61.300 -0.252 0.000 1.042 225 I CB 0.142 37.937 38.000 -0.341 0.000 1.565 225 I HN 1.133 nan 8.210 nan 0.000 0.479 226 Y N 3.240 123.546 120.300 0.009 0.000 4.753 226 Y HA -0.309 4.240 4.550 -0.001 0.000 0.232 226 Y C 0.983 176.870 175.900 -0.021 0.000 1.029 226 Y CA 0.672 58.730 58.100 -0.071 0.000 1.996 226 Y CB -1.643 36.724 38.460 -0.156 0.000 1.602 226 Y HN 0.693 nan 8.280 nan 0.000 0.621 227 A N 0.391 123.241 122.820 0.050 0.000 2.713 227 A HA 0.608 4.927 4.320 -0.001 0.000 0.296 227 A C 1.607 179.178 177.584 -0.022 0.000 1.255 227 A CA 0.747 52.764 52.037 -0.033 0.000 0.955 227 A CB -0.705 18.175 19.000 -0.200 0.000 1.149 227 A HN 1.069 nan 8.150 nan 0.000 0.538 228 G N 0.737 109.491 108.800 -0.076 0.000 2.693 228 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.354 228 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.354 228 G C 0.304 174.819 174.900 -0.641 0.000 1.207 228 G CA 1.610 46.503 45.100 -0.345 0.000 0.958 228 G HN 0.794 nan 8.290 nan 0.000 0.560 229 F N 1.417 121.362 119.950 -0.009 0.000 2.790 229 F HA 0.380 4.906 4.527 -0.001 0.000 0.371 229 F C 1.569 177.344 175.800 -0.042 0.000 1.293 229 F CA -0.123 57.847 58.000 -0.050 0.000 1.205 229 F CB 1.074 40.030 39.000 -0.074 0.000 1.047 229 F HN 0.216 nan 8.300 nan 0.000 0.510 230 E N 0.301 120.548 120.200 0.078 0.000 2.085 230 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 230 E C 2.243 178.848 176.600 0.007 0.000 0.994 230 E CA 1.794 58.224 56.400 0.051 0.000 0.801 230 E CB -0.205 29.485 29.700 -0.017 0.000 0.743 230 E HN 0.427 nan 8.360 nan 0.000 0.453 231 S N 0.992 116.680 115.700 -0.021 0.000 2.522 231 S HA -0.067 4.402 4.470 -0.001 0.000 0.227 231 S C 1.640 176.184 174.600 -0.093 0.000 0.986 231 S CA 0.541 58.706 58.200 -0.058 0.000 0.929 231 S CB -0.216 62.935 63.200 -0.081 0.000 0.769 231 S HN 0.167 nan 8.310 nan 0.000 0.529 232 N N 2.267 120.935 118.700 -0.054 0.000 2.060 232 N HA -0.178 4.562 4.740 -0.001 0.000 0.195 232 N C 1.647 177.048 175.510 -0.183 0.000 1.028 232 N CA 1.890 54.888 53.050 -0.087 0.000 0.861 232 N CB -0.429 38.025 38.487 -0.055 0.000 1.029 232 N HN 0.622 nan 8.380 nan 0.000 0.428 233 I N 0.722 121.122 120.570 -0.285 0.000 2.614 233 I HA -0.158 4.011 4.170 -0.001 0.000 0.258 233 I C 2.168 177.748 176.117 -0.895 0.000 1.189 233 I CA 0.607 61.578 61.300 -0.550 0.000 1.462 233 I CB -0.012 37.618 38.000 -0.617 0.000 1.092 233 I HN 0.161 nan 8.210 nan 0.000 0.442 234 R N 0.174 120.323 120.500 -0.585 0.000 2.090 234 R HA -0.082 4.258 4.340 -0.001 0.000 0.228 234 R C 2.284 178.569 176.300 -0.024 0.000 1.110 234 R CA 1.052 56.973 56.100 -0.298 0.000 0.973 234 R CB -0.283 30.004 30.300 -0.021 0.000 0.869 234 R HN 0.321 nan 8.270 nan 0.000 0.440 235 R N 0.218 120.696 120.500 -0.038 0.000 2.148 235 R HA -0.091 4.248 4.340 -0.001 0.000 0.223 235 R C 2.203 178.643 176.300 0.234 0.000 1.088 235 R CA 0.879 57.061 56.100 0.137 0.000 0.985 235 R CB -0.009 30.291 30.300 -0.000 0.000 0.880 235 R HN 0.094 nan 8.270 nan 0.000 0.451 236 Q N 0.039 119.863 119.800 0.040 0.000 2.079 236 Q HA -0.154 4.185 4.340 -0.001 0.000 0.200 236 Q C 1.453 177.574 176.000 0.201 0.000 0.974 236 Q CA 1.537 57.378 55.803 0.063 0.000 0.840 236 Q CB -0.082 28.614 28.738 -0.070 0.000 0.898 236 Q HN 0.278 nan 8.270 nan 0.000 0.430 237 W N 0.411 121.799 121.300 0.145 0.000 2.354 237 W HA -0.116 4.543 4.660 -0.001 0.000 0.315 237 W C 1.995 178.570 176.519 0.093 0.000 1.206 237 W CA 0.762 58.192 57.345 0.142 0.000 1.290 237 W CB -1.140 28.298 29.460 -0.035 0.000 1.152 237 W HN 0.237 nan 8.180 nan 0.000 0.489 238 L N 0.246 121.677 121.223 0.346 0.000 2.012 238 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 238 L C 2.584 179.550 176.870 0.161 0.000 1.073 238 L CA 1.807 56.815 54.840 0.280 0.000 0.748 238 L CB -1.016 41.296 42.059 0.423 0.000 0.891 238 L HN -0.065 nan 8.230 nan 0.000 0.431 239 K N 0.174 120.657 120.400 0.138 0.000 2.032 239 K HA -0.233 4.087 4.320 -0.001 0.000 0.209 239 K C 1.658 178.249 176.600 -0.014 0.000 1.048 239 K CA 2.016 58.233 56.287 -0.118 0.000 0.927 239 K CB -0.081 32.417 32.500 -0.003 0.000 0.712 239 K HN 0.277 nan 8.250 nan 0.000 0.441 240 D N 0.641 121.106 120.400 0.108 0.000 2.264 240 D HA -0.120 4.520 4.640 -0.001 0.000 0.208 240 D C 1.582 177.956 176.300 0.123 0.000 0.966 240 D CA 0.796 54.872 54.000 0.126 0.000 0.864 240 D CB 0.081 41.002 40.800 0.202 0.000 0.933 240 D HN 0.300 nan 8.370 nan 0.000 0.499 241 L N -0.429 120.877 121.223 0.138 0.000 2.599 241 L HA 0.134 4.473 4.340 -0.001 0.000 0.230 241 L C 1.412 178.324 176.870 0.069 0.000 1.141 241 L CA 0.280 55.197 54.840 0.127 0.000 0.877 241 L CB 0.001 42.152 42.059 0.152 0.000 1.009 241 L HN 0.098 nan 8.230 nan 0.000 0.447 242 G N -0.198 108.616 108.800 0.023 0.000 2.141 242 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.242 242 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.242 242 G C 0.220 175.095 174.900 -0.041 0.000 0.982 242 G CA -0.025 45.069 45.100 -0.010 0.000 0.662 242 G HN 0.086 nan 8.290 nan 0.000 0.527 243 V N 1.950 121.824 119.914 -0.066 0.000 2.479 243 V HA 0.267 4.386 4.120 -0.001 0.000 0.281 243 V C 0.434 176.370 176.094 -0.264 0.000 1.031 243 V CA -0.457 61.806 62.300 -0.062 0.000 1.038 243 V CB 1.072 32.944 31.823 0.082 0.000 0.981 243 V HN 0.289 nan 8.190 nan 0.000 0.478 244 D N 4.574 124.918 120.400 -0.093 0.000 2.345 244 D HA 0.316 4.955 4.640 -0.001 0.000 0.247 244 D C -0.386 176.005 176.300 0.151 0.000 1.108 244 D CA 0.377 54.333 54.000 -0.073 0.000 0.894 244 D CB 0.892 41.701 40.800 0.015 0.000 1.203 244 D HN 0.405 nan 8.370 nan 0.000 0.430 245 F N 1.060 121.085 119.950 0.126 0.000 2.427 245 F HA 0.320 4.846 4.527 -0.001 0.000 0.348 245 F C 0.033 175.934 175.800 0.168 0.000 1.125 245 F CA -1.058 57.063 58.000 0.201 0.000 0.989 245 F CB 1.572 40.834 39.000 0.437 0.000 1.165 245 F HN -0.143 nan 8.300 nan 0.000 0.442 246 V N 4.346 124.347 119.914 0.144 0.000 2.459 246 V HA 0.391 4.510 4.120 -0.001 0.000 0.295 246 V C -0.697 175.319 176.094 -0.131 0.000 1.029 246 V CA -0.798 61.506 62.300 0.006 0.000 0.874 246 V CB 1.843 33.543 31.823 -0.205 0.000 0.985 246 V HN 0.435 nan 8.190 nan 0.000 0.438 247 F N 4.661 124.608 119.950 -0.005 0.000 2.449 247 F HA 0.612 5.138 4.527 -0.001 0.000 0.342 247 F C 0.116 175.929 175.800 0.021 0.000 1.127 247 F CA -0.670 57.374 58.000 0.075 0.000 0.975 247 F CB 1.538 40.602 39.000 0.106 0.000 1.146 247 F HN 0.228 nan 8.300 nan 0.000 0.444 248 I N 3.858 124.460 120.570 0.052 0.000 2.359 248 I HA 0.351 4.520 4.170 -0.001 0.000 0.284 248 I C -1.039 175.160 176.117 0.136 0.000 1.018 248 I CA -0.225 61.028 61.300 -0.079 0.000 1.173 248 I CB 1.140 38.718 38.000 -0.704 0.000 1.326 248 I HN 0.470 nan 8.210 nan 0.000 0.462 249 D N 8.031 128.599 120.400 0.280 0.000 2.812 249 D HA 0.208 4.848 4.640 -0.001 0.000 0.210 249 D C -2.405 174.132 176.300 0.396 0.000 1.260 249 D CA -1.428 52.769 54.000 0.327 0.000 0.817 249 D CB 3.149 44.150 40.800 0.335 0.000 1.694 249 D HN 0.014 nan 8.370 nan 0.000 0.530 250 P HA -0.096 nan 4.420 nan 0.000 0.217 250 P C -0.086 177.480 177.300 0.443 0.000 1.148 250 P CA 1.137 64.395 63.100 0.263 0.000 0.828 250 P CB 0.009 31.819 31.700 0.184 0.000 0.783 251 H N -0.969 118.275 119.070 0.290 0.000 2.466 251 H HA 0.344 4.899 4.556 -0.001 0.000 0.338 251 H C -0.355 174.953 175.328 -0.033 0.000 1.091 251 H CA -1.163 54.954 56.048 0.115 0.000 1.207 251 H CB 0.724 30.415 29.762 -0.119 0.000 1.466 251 H HN -0.171 nan 8.280 nan 0.000 0.493 252 M N 6.114 125.264 119.600 -0.750 0.000 2.685 252 M HA -0.027 4.453 4.480 -0.001 0.000 0.316 252 M C -0.366 175.108 176.300 -1.377 0.000 1.523 252 M CA -0.312 54.070 55.300 -1.530 0.000 1.472 252 M CB -0.771 30.635 32.600 -1.990 0.000 1.525 252 M HN 0.680 nan 8.290 nan 0.000 0.471 253 N N 2.144 120.216 118.700 -1.047 0.000 2.260 253 N HA -0.051 4.688 4.740 -0.001 0.000 0.230 253 N C 0.634 175.674 175.510 -0.783 0.000 1.323 253 N CA 0.165 52.653 53.050 -0.937 0.000 0.897 253 N CB 0.282 38.517 38.487 -0.420 0.000 1.146 253 N HN 0.434 nan 8.380 nan 0.000 0.460 254 H N -1.220 117.643 119.070 -0.345 0.000 2.456 254 H HA -0.055 4.500 4.556 -0.001 0.000 0.296 254 H C 1.210 176.339 175.328 -0.331 0.000 1.079 254 H CA 1.822 57.700 56.048 -0.283 0.000 1.322 254 H CB -0.498 29.167 29.762 -0.161 0.000 1.388 254 H HN 0.635 nan 8.280 nan 0.000 0.538 255 T N 0.678 115.062 114.554 -0.283 0.000 2.812 255 T HA 0.011 4.360 4.350 -0.001 0.000 0.264 255 T C 2.370 176.611 174.700 -0.765 0.000 1.042 255 T CA 0.995 62.867 62.100 -0.381 0.000 1.140 255 T CB -0.249 68.443 68.868 -0.294 0.000 0.870 255 T HN 0.430 nan 8.240 nan 0.000 0.445 256 A N 2.006 124.117 122.820 -1.182 0.000 1.933 256 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 256 A C 2.335 179.434 177.584 -0.809 0.000 1.175 256 A CA 1.206 52.298 52.037 -1.573 0.000 0.628 256 A CB -0.471 17.710 19.000 -1.364 0.000 0.814 256 A HN 0.394 nan 8.150 nan 0.000 0.444 257 R N -1.345 118.787 120.500 -0.613 0.000 2.193 257 R HA -0.067 4.272 4.340 -0.001 0.000 0.229 257 R C 1.906 178.037 176.300 -0.281 0.000 1.110 257 R CA 1.284 57.141 56.100 -0.406 0.000 0.988 257 R CB -0.333 29.780 30.300 -0.311 0.000 0.871 257 R HN 0.504 nan 8.270 nan 0.000 0.458 258 L N -0.221 120.831 121.223 -0.285 0.000 2.221 258 L HA -0.003 4.336 4.340 -0.001 0.000 0.202 258 L C 1.301 178.094 176.870 -0.127 0.000 1.074 258 L CA 1.136 55.866 54.840 -0.182 0.000 0.795 258 L CB 0.683 42.644 42.059 -0.163 0.000 0.960 258 L HN 0.018 nan 8.230 nan 0.000 0.458 259 V N -3.302 116.528 119.914 -0.139 0.000 3.070 259 V HA 0.656 4.775 4.120 -0.001 0.000 0.355 259 V C 0.365 176.574 176.094 0.191 0.000 1.400 259 V CA -0.246 62.095 62.300 0.068 0.000 1.170 259 V CB -0.595 31.396 31.823 0.279 0.000 1.169 259 V HN 0.204 nan 8.190 nan 0.000 0.554 260 A N 0.109 122.894 122.820 -0.058 0.000 2.401 260 A HA 0.544 4.863 4.320 -0.001 0.000 0.259 260 A C 0.791 178.479 177.584 0.172 0.000 1.103 260 A CA 0.209 52.318 52.037 0.119 0.000 0.789 260 A CB 0.329 19.211 19.000 -0.196 0.000 1.035 260 A HN 0.443 nan 8.150 nan 0.000 0.491 261 D N -0.042 120.514 120.400 0.260 0.000 2.301 261 D HA 0.111 4.750 4.640 -0.001 0.000 0.206 261 D C 0.147 176.532 176.300 0.142 0.000 0.979 261 D CA 1.065 55.154 54.000 0.148 0.000 0.874 261 D CB 0.459 41.328 40.800 0.116 0.000 0.968 261 D HN 0.464 nan 8.370 nan 0.000 0.510 262 K N -0.313 120.197 120.400 0.182 0.000 2.557 262 K HA 0.281 4.600 4.320 -0.001 0.000 0.261 262 K C -2.380 174.346 176.600 0.211 0.000 0.932 262 K CA -0.728 55.650 56.287 0.152 0.000 0.829 262 K CB 1.632 34.161 32.500 0.048 0.000 1.358 262 K HN -0.117 nan 8.250 nan 0.000 0.430 263 W N 6.069 127.389 121.300 0.034 0.000 2.785 263 W HA 0.674 5.333 4.660 -0.001 0.000 0.333 263 W C -1.895 174.779 176.519 0.259 0.000 1.062 263 W CA -1.001 56.377 57.345 0.056 0.000 1.233 263 W CB 1.011 30.485 29.460 0.024 0.000 1.413 263 W HN 0.306 nan 8.180 nan 0.000 0.489 264 F N 4.187 123.881 119.950 -0.427 0.000 2.482 264 F HA 0.421 4.947 4.527 -0.001 0.000 0.331 264 F C 0.259 175.584 175.800 -0.792 0.000 1.115 264 F CA -1.816 55.839 58.000 -0.576 0.000 0.955 264 F CB 1.906 40.729 39.000 -0.295 0.000 1.136 264 F HN 0.277 nan 8.300 nan 0.000 0.452 265 S N 5.915 121.235 115.700 -0.634 0.000 2.269 265 S HA 0.422 4.891 4.470 -0.001 0.000 0.194 265 S C -2.751 171.742 174.600 -0.178 0.000 1.547 265 S CA -1.489 56.472 58.200 -0.398 0.000 1.186 265 S CB 0.054 62.911 63.200 -0.572 0.000 1.069 265 S HN 0.269 nan 8.310 nan 0.000 0.473 266 P HA 0.204 nan 4.420 nan 0.000 0.275 266 P C -0.566 176.729 177.300 -0.009 0.000 1.228 266 P CA -0.451 62.630 63.100 -0.031 0.000 0.786 266 P CB 0.698 32.438 31.700 0.066 0.000 0.927 267 K N 2.192 122.570 120.400 -0.037 0.000 2.380 267 K HA 0.104 4.423 4.320 -0.001 0.000 0.267 267 K C 0.892 177.473 176.600 -0.031 0.000 0.990 267 K CA -0.283 55.983 56.287 -0.035 0.000 0.946 267 K CB -0.034 32.431 32.500 -0.057 0.000 0.937 267 K HN 0.504 nan 8.250 nan 0.000 0.491 268 I N -1.281 119.265 120.570 -0.039 0.000 2.880 268 I HA 0.002 4.171 4.170 -0.001 0.000 0.296 268 I C 1.026 177.027 176.117 -0.193 0.000 1.220 268 I CA 0.488 61.740 61.300 -0.080 0.000 1.435 268 I CB -0.206 37.757 38.000 -0.062 0.000 1.339 268 I HN 0.860 nan 8.210 nan 0.000 0.583 269 G N 3.477 111.986 108.800 -0.486 0.000 2.168 269 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.257 269 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.257 269 G C 0.543 175.191 174.900 -0.421 0.000 0.997 269 G CA 0.651 45.163 45.100 -0.981 0.000 0.708 269 G HN 1.328 nan 8.290 nan 0.000 0.520 270 T N -3.684 110.803 114.554 -0.113 0.000 3.084 270 T HA 0.289 4.638 4.350 -0.001 0.000 0.270 270 T C 1.282 176.233 174.700 0.418 0.000 1.008 270 T CA 0.784 63.003 62.100 0.198 0.000 0.900 270 T CB 0.377 69.286 68.868 0.067 0.000 1.084 270 T HN 0.158 nan 8.240 nan 0.000 0.538 271 D N 2.631 123.385 120.400 0.590 0.000 2.116 271 D HA -0.194 4.445 4.640 -0.001 0.000 0.193 271 D C 1.962 178.794 176.300 0.887 0.000 0.998 271 D CA 1.797 56.283 54.000 0.810 0.000 0.836 271 D CB -0.223 41.099 40.800 0.870 0.000 0.951 271 D HN 0.714 nan 8.370 nan 0.000 0.449 272 H N 0.529 120.007 119.070 0.679 0.000 2.543 272 H HA 0.148 4.703 4.556 -0.001 0.000 0.286 272 H C 1.752 177.569 175.328 0.815 0.000 1.037 272 H CA 0.954 57.391 56.048 0.648 0.000 1.250 272 H CB -0.639 29.515 29.762 0.652 0.000 1.373 272 H HN 0.072 nan 8.280 nan 0.000 0.580 273 A N 1.754 124.874 122.820 0.501 0.000 1.929 273 A HA 0.051 4.370 4.320 -0.001 0.000 0.216 273 A C 2.699 180.465 177.584 0.303 0.000 1.176 273 A CA 0.832 52.956 52.037 0.145 0.000 0.628 273 A CB -0.616 18.101 19.000 -0.471 0.000 0.816 273 A HN 0.349 nan 8.150 nan 0.000 0.444 274 L N 0.383 121.831 121.223 0.374 0.000 2.027 274 L HA -0.159 4.180 4.340 -0.001 0.000 0.206 274 L C 3.048 180.200 176.870 0.470 0.000 1.074 274 L CA 1.601 56.679 54.840 0.396 0.000 0.745 274 L CB -0.763 41.590 42.059 0.490 0.000 0.898 274 L HN 0.577 nan 8.230 nan 0.000 0.433 275 S N -0.069 115.962 115.700 0.552 0.000 2.370 275 S HA -0.205 4.264 4.470 -0.001 0.000 0.226 275 S C 1.934 176.618 174.600 0.139 0.000 1.033 275 S CA 1.166 59.529 58.200 0.272 0.000 1.011 275 S CB -0.995 62.212 63.200 0.013 0.000 0.852 275 S HN 0.287 nan 8.310 nan 0.000 0.457 276 F N 2.300 122.437 119.950 0.311 0.000 2.186 276 F HA 0.071 4.598 4.527 -0.001 0.000 0.299 276 F C 2.883 178.742 175.800 0.097 0.000 1.090 276 F CA 0.821 58.944 58.000 0.206 0.000 1.307 276 F CB -0.480 38.641 39.000 0.203 0.000 1.019 276 F HN 0.318 nan 8.300 nan 0.000 0.489 277 A N 0.049 123.074 122.820 0.341 0.000 1.969 277 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 277 A C 2.137 179.776 177.584 0.092 0.000 1.169 277 A CA 1.223 53.386 52.037 0.211 0.000 0.635 277 A CB -0.887 18.229 19.000 0.193 0.000 0.810 277 A HN 0.408 nan 8.150 nan 0.000 0.445 278 I N -0.417 120.129 120.570 -0.041 0.000 2.252 278 I HA -0.233 3.936 4.170 -0.001 0.000 0.245 278 I C 2.960 178.618 176.117 -0.765 0.000 1.102 278 I CA 0.974 62.014 61.300 -0.433 0.000 1.385 278 I CB -0.306 37.380 38.000 -0.524 0.000 1.064 278 I HN 0.352 nan 8.210 nan 0.000 0.414 279 A N 0.232 122.810 122.820 -0.404 0.000 1.902 279 A HA -0.288 4.031 4.320 -0.001 0.000 0.217 279 A C 2.285 179.846 177.584 -0.038 0.000 1.181 279 A CA 1.521 53.462 52.037 -0.159 0.000 0.623 279 A CB -1.041 18.078 19.000 0.198 0.000 0.818 279 A HN 0.525 nan 8.150 nan 0.000 0.443 280 Y N 1.384 121.610 120.300 -0.124 0.000 2.097 280 Y HA -0.239 4.311 4.550 -0.001 0.000 0.282 280 Y C 2.634 178.510 175.900 -0.040 0.000 1.152 280 Y CA 2.512 60.550 58.100 -0.103 0.000 1.136 280 Y CB -0.849 37.545 38.460 -0.110 0.000 0.975 280 Y HN 0.308 nan 8.280 nan 0.000 0.498 281 T N 0.075 114.617 114.554 -0.020 0.000 2.684 281 T HA -0.237 4.112 4.350 -0.001 0.000 0.267 281 T C 1.457 176.216 174.700 0.100 0.000 1.036 281 T CA 1.792 63.881 62.100 -0.019 0.000 1.148 281 T CB -0.582 68.314 68.868 0.047 0.000 0.863 281 T HN 0.490 nan 8.240 nan 0.000 0.436 282 W N 1.333 122.622 121.300 -0.017 0.000 2.358 282 W HA 0.120 4.779 4.660 -0.001 0.000 0.303 282 W C 2.117 178.664 176.519 0.046 0.000 1.208 282 W CA -0.019 57.340 57.345 0.023 0.000 1.274 282 W CB -1.463 27.983 29.460 -0.024 0.000 1.138 282 W HN 0.281 nan 8.180 nan 0.000 0.515 283 L N 0.223 121.531 121.223 0.142 0.000 1.994 283 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 283 L C 2.596 179.480 176.870 0.023 0.000 1.071 283 L CA 1.264 56.152 54.840 0.080 0.000 0.745 283 L CB -0.897 41.121 42.059 -0.068 0.000 0.892 283 L HN -0.202 nan 8.230 nan 0.000 0.431 284 K N 0.340 120.632 120.400 -0.179 0.000 2.209 284 K HA -0.141 4.178 4.320 -0.001 0.000 0.204 284 K C 1.459 178.036 176.600 -0.039 0.000 1.048 284 K CA 1.277 57.445 56.287 -0.198 0.000 0.940 284 K CB -0.079 32.161 32.500 -0.433 0.000 0.729 284 K HN 0.452 nan 8.250 nan 0.000 0.451 285 E N 0.161 120.389 120.200 0.046 0.000 2.501 285 E HA 0.010 4.360 4.350 -0.001 0.000 0.201 285 E C -0.857 175.811 176.600 0.113 0.000 1.016 285 E CA -0.141 56.310 56.400 0.086 0.000 0.920 285 E CB 0.321 30.091 29.700 0.117 0.000 1.023 285 E HN 0.179 nan 8.360 nan 0.000 0.474 286 D N 0.682 121.181 120.400 0.164 0.000 2.792 286 D HA -0.171 4.468 4.640 -0.001 0.000 0.231 286 D C -0.368 175.986 176.300 0.090 0.000 1.160 286 D CA 1.190 55.277 54.000 0.146 0.000 0.697 286 D CB -1.150 39.670 40.800 0.033 0.000 1.070 286 D HN 0.198 nan 8.370 nan 0.000 0.426 287 S N -0.023 115.795 115.700 0.197 0.000 3.700 287 S HA 0.485 4.954 4.470 -0.001 0.000 0.192 287 S C -0.231 174.338 174.600 -0.052 0.000 1.430 287 S CA -0.809 57.419 58.200 0.046 0.000 0.999 287 S CB -0.282 62.954 63.200 0.059 0.000 1.411 287 S HN 0.462 nan 8.310 nan 0.000 0.491 288 Y N -2.262 117.902 120.300 -0.226 0.000 2.725 288 Y HA 0.606 5.155 4.550 -0.001 0.000 0.333 288 Y C -1.242 174.540 175.900 -0.197 0.000 1.242 288 Y CA -1.508 56.403 58.100 -0.314 0.000 1.059 288 Y CB 0.263 38.583 38.460 -0.233 0.000 1.306 288 Y HN 0.126 nan 8.280 nan 0.000 0.454 289 D N 1.815 122.131 120.400 -0.140 0.000 2.508 289 D HA 0.176 4.816 4.640 -0.001 0.000 0.224 289 D C 0.388 176.582 176.300 -0.178 0.000 1.171 289 D CA 0.150 54.045 54.000 -0.175 0.000 1.006 289 D CB 0.528 41.249 40.800 -0.132 0.000 1.073 289 D HN 0.698 nan 8.370 nan 0.000 0.513 290 K N 1.460 121.607 120.400 -0.423 0.000 2.103 290 K HA -0.193 4.126 4.320 -0.001 0.000 0.207 290 K C 1.415 177.934 176.600 -0.136 0.000 1.048 290 K CA 1.150 57.225 56.287 -0.353 0.000 0.930 290 K CB 0.309 32.565 32.500 -0.407 0.000 0.716 290 K HN 0.235 nan 8.250 nan 0.000 0.444 291 E N 0.234 120.373 120.200 -0.103 0.000 2.085 291 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 291 E C 1.749 178.333 176.600 -0.027 0.000 0.994 291 E CA 1.226 57.591 56.400 -0.059 0.000 0.801 291 E CB -0.389 29.280 29.700 -0.053 0.000 0.743 291 E HN 0.352 nan 8.360 nan 0.000 0.453 292 Y N 0.668 120.890 120.300 -0.129 0.000 2.114 292 Y HA -0.270 4.279 4.550 -0.001 0.000 0.284 292 Y C 2.154 177.983 175.900 -0.118 0.000 1.143 292 Y CA 1.499 59.523 58.100 -0.126 0.000 1.135 292 Y CB -0.259 38.140 38.460 -0.103 0.000 0.980 292 Y HN -0.122 nan 8.280 nan 0.000 0.499 293 V N 0.487 120.482 119.914 0.136 0.000 2.287 293 V HA -0.383 3.736 4.120 -0.001 0.000 0.248 293 V C 2.643 178.680 176.094 -0.095 0.000 1.053 293 V CA 1.909 64.178 62.300 -0.051 0.000 1.027 293 V CB -1.643 29.986 31.823 -0.323 0.000 0.646 293 V HN 0.594 nan 8.190 nan 0.000 0.447 294 A N -0.394 122.382 122.820 -0.073 0.000 1.978 294 A HA -0.086 4.233 4.320 -0.001 0.000 0.220 294 A C 2.234 179.793 177.584 -0.041 0.000 1.170 294 A CA 2.265 54.280 52.037 -0.037 0.000 0.636 294 A CB -0.490 18.490 19.000 -0.032 0.000 0.810 294 A HN 0.633 nan 8.150 nan 0.000 0.448 295 A N -1.598 121.161 122.820 -0.102 0.000 2.197 295 A HA 0.153 4.472 4.320 -0.001 0.000 0.210 295 A C 1.363 178.835 177.584 -0.188 0.000 1.180 295 A CA 0.642 52.595 52.037 -0.140 0.000 0.846 295 A CB 0.097 18.982 19.000 -0.192 0.000 0.884 295 A HN 0.447 nan 8.150 nan 0.000 0.487 296 N N -0.358 118.204 118.700 -0.230 0.000 2.159 296 N HA 0.324 5.063 4.740 -0.001 0.000 0.217 296 N C -0.019 175.591 175.510 0.167 0.000 1.223 296 N CA 0.653 53.594 53.050 -0.182 0.000 0.896 296 N CB 1.013 39.072 38.487 -0.713 0.000 1.064 296 N HN 0.385 nan 8.380 nan 0.000 0.518 297 A N 0.194 123.115 122.820 0.167 0.000 2.356 297 A HA 0.593 4.912 4.320 -0.001 0.000 0.323 297 A C -1.195 176.597 177.584 0.347 0.000 1.119 297 A CA -0.370 51.860 52.037 0.321 0.000 0.790 297 A CB 1.246 20.373 19.000 0.213 0.000 1.273 297 A HN 0.301 nan 8.150 nan 0.000 0.452 298 H N -0.378 118.893 119.070 0.335 0.000 2.609 298 H HA 0.507 5.062 4.556 -0.001 0.000 0.344 298 H C 0.709 176.227 175.328 0.318 0.000 1.040 298 H CA 0.372 56.580 56.048 0.267 0.000 1.216 298 H CB 1.366 31.259 29.762 0.218 0.000 1.529 298 H HN 1.649 nan 8.280 nan 0.000 0.519 299 G N 3.759 112.389 108.800 -0.283 0.000 2.153 299 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.252 299 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.252 299 G C 0.733 175.670 174.900 0.062 0.000 0.994 299 G CA 0.583 45.574 45.100 -0.181 0.000 0.698 299 G HN 0.616 nan 8.290 nan 0.000 0.521 300 F N 0.983 120.880 119.950 -0.090 0.000 2.186 300 F HA 0.092 4.618 4.527 -0.001 0.000 0.299 300 F C 2.357 178.159 175.800 0.003 0.000 1.090 300 F CA 2.226 60.097 58.000 -0.215 0.000 1.307 300 F CB 0.070 38.890 39.000 -0.299 0.000 1.019 300 F HN 0.273 nan 8.300 nan 0.000 0.489 301 E N 0.601 120.861 120.200 0.100 0.000 2.058 301 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 301 E C 1.973 178.557 176.600 -0.026 0.000 0.997 301 E CA 2.012 58.441 56.400 0.047 0.000 0.801 301 E CB -0.432 29.316 29.700 0.081 0.000 0.746 301 E HN 0.468 nan 8.360 nan 0.000 0.450 302 E N -0.557 119.650 120.200 0.012 0.000 2.072 302 E HA -0.153 4.196 4.350 -0.001 0.000 0.191 302 E C 1.672 178.301 176.600 0.048 0.000 0.985 302 E CA 0.956 57.373 56.400 0.029 0.000 0.801 302 E CB -0.390 29.341 29.700 0.052 0.000 0.750 302 E HN 0.351 nan 8.360 nan 0.000 0.452 303 W N 1.514 122.731 121.300 -0.140 0.000 2.358 303 W HA -0.166 4.493 4.660 -0.001 0.000 0.303 303 W C 2.331 178.749 176.519 -0.168 0.000 1.208 303 W CA 2.137 59.424 57.345 -0.097 0.000 1.274 303 W CB -0.446 28.936 29.460 -0.129 0.000 1.138 303 W HN 0.074 nan 8.180 nan 0.000 0.515 304 A N -0.019 122.580 122.820 -0.368 0.000 1.933 304 A HA -0.232 4.087 4.320 -0.001 0.000 0.218 304 A C 1.747 179.151 177.584 -0.301 0.000 1.175 304 A CA 2.121 53.879 52.037 -0.465 0.000 0.628 304 A CB -1.010 17.747 19.000 -0.404 0.000 0.814 304 A HN 0.284 nan 8.150 nan 0.000 0.444 305 D N -1.899 118.392 120.400 -0.180 0.000 2.178 305 D HA -0.142 4.497 4.640 -0.001 0.000 0.201 305 D C 1.592 177.790 176.300 -0.170 0.000 0.980 305 D CA 1.395 55.316 54.000 -0.131 0.000 0.842 305 D CB -0.302 40.460 40.800 -0.063 0.000 0.948 305 D HN 0.651 nan 8.370 nan 0.000 0.472 306 Y N 1.286 121.398 120.300 -0.313 0.000 2.184 306 Y HA -0.153 4.397 4.550 -0.001 0.000 0.290 306 Y C 2.178 177.784 175.900 -0.490 0.000 1.129 306 Y CA 0.958 58.837 58.100 -0.368 0.000 1.144 306 Y CB -0.342 37.901 38.460 -0.362 0.000 0.995 306 Y HN -0.229 nan 8.280 nan 0.000 0.513 307 V N 0.951 120.486 119.914 -0.632 0.000 2.392 307 V HA -0.320 3.799 4.120 -0.001 0.000 0.249 307 V C 2.251 178.087 176.094 -0.430 0.000 1.059 307 V CA 1.980 63.901 62.300 -0.632 0.000 1.051 307 V CB -0.766 30.683 31.823 -0.624 0.000 0.658 307 V HN 0.446 nan 8.190 nan 0.000 0.455 308 L N 0.208 121.244 121.223 -0.312 0.000 2.552 308 L HA 0.218 4.557 4.340 -0.001 0.000 0.227 308 L C 1.846 178.570 176.870 -0.243 0.000 1.146 308 L CA 0.852 55.607 54.840 -0.142 0.000 0.858 308 L CB -0.678 41.312 42.059 -0.115 0.000 0.969 308 L HN 0.559 nan 8.230 nan 0.000 0.451 309 G N 0.250 108.788 108.800 -0.437 0.000 2.148 309 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.254 309 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.254 309 G C 1.022 175.753 174.900 -0.282 0.000 0.981 309 G CA 0.699 45.528 45.100 -0.451 0.000 0.670 309 G HN 0.377 nan 8.290 nan 0.000 0.528 310 K N -0.204 120.070 120.400 -0.210 0.000 2.002 310 K HA -0.083 4.237 4.320 -0.001 0.000 0.209 310 K C 2.864 179.399 176.600 -0.109 0.000 1.048 310 K CA 2.069 58.278 56.287 -0.131 0.000 0.930 310 K CB -0.395 32.048 32.500 -0.095 0.000 0.714 310 K HN 0.600 nan 8.250 nan 0.000 0.438 311 T N -0.098 114.398 114.554 -0.098 0.000 2.985 311 T HA -0.084 4.265 4.350 -0.001 0.000 0.266 311 T C 1.390 176.061 174.700 -0.048 0.000 1.076 311 T CA 1.284 63.357 62.100 -0.044 0.000 1.135 311 T CB -0.130 68.748 68.868 0.016 0.000 0.890 311 T HN 0.245 nan 8.240 nan 0.000 0.480 312 D N 0.379 120.713 120.400 -0.110 0.000 2.398 312 D HA 0.240 4.880 4.640 -0.001 0.000 0.210 312 D C 1.607 177.812 176.300 -0.158 0.000 1.094 312 D CA 0.427 54.362 54.000 -0.108 0.000 0.839 312 D CB -0.535 40.206 40.800 -0.098 0.000 0.963 312 D HN 0.555 nan 8.370 nan 0.000 0.506 313 G N -0.189 108.500 108.800 -0.185 0.000 2.148 313 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.254 313 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.254 313 G C 0.151 174.912 174.900 -0.232 0.000 0.981 313 G CA 0.555 45.551 45.100 -0.173 0.000 0.670 313 G HN 0.449 nan 8.290 nan 0.000 0.528 314 T N 2.049 116.389 114.554 -0.357 0.000 3.068 314 T HA 0.502 4.851 4.350 -0.001 0.000 0.364 314 T C -2.689 171.603 174.700 -0.679 0.000 1.161 314 T CA -0.902 60.916 62.100 -0.470 0.000 1.155 314 T CB 2.542 71.111 68.868 -0.500 0.000 1.060 314 T HN 0.040 nan 8.240 nan 0.000 0.513 315 P HA 0.085 nan 4.420 nan 0.000 0.264 315 P C -0.026 176.706 177.300 -0.946 0.000 1.193 315 P CA -0.411 62.318 63.100 -0.618 0.000 0.763 315 P CB 0.486 31.945 31.700 -0.401 0.000 0.810 316 K N 2.458 122.214 120.400 -1.074 0.000 2.480 316 K HA 0.109 4.428 4.320 -0.001 0.000 0.241 316 K C 0.616 176.731 176.600 -0.808 0.000 1.261 316 K CA 0.145 55.755 56.287 -1.128 0.000 1.193 316 K CB -1.233 30.723 32.500 -0.908 0.000 1.598 316 K HN 0.482 nan 8.250 nan 0.000 0.278 317 T N -3.228 110.877 114.554 -0.748 0.000 2.828 317 T HA 0.039 4.388 4.350 -0.001 0.000 0.290 317 T C 1.645 176.315 174.700 -0.049 0.000 1.019 317 T CA -0.603 61.173 62.100 -0.540 0.000 1.031 317 T CB 0.914 69.573 68.868 -0.349 0.000 1.001 317 T HN 0.399 nan 8.240 nan 0.000 0.531 318 C N 1.044 120.346 119.300 0.003 0.000 2.422 318 C HA 0.008 4.467 4.460 -0.001 0.000 0.279 318 C C 2.771 177.747 174.990 -0.024 0.000 1.305 318 C CA 0.590 59.623 59.018 0.025 0.000 1.757 318 C CB -1.451 26.311 27.740 0.037 0.000 1.962 318 C HN 0.987 nan 8.230 nan 0.000 0.499 319 E N -0.332 119.856 120.200 -0.020 0.000 2.072 319 E HA -0.185 4.164 4.350 -0.001 0.000 0.191 319 E C 1.643 178.211 176.600 -0.052 0.000 0.985 319 E CA 1.084 57.459 56.400 -0.042 0.000 0.801 319 E CB -0.367 29.317 29.700 -0.027 0.000 0.750 319 E HN 0.849 nan 8.360 nan 0.000 0.452 320 W N 1.401 122.582 121.300 -0.199 0.000 2.358 320 W HA -0.158 4.501 4.660 -0.001 0.000 0.303 320 W C 2.173 178.560 176.519 -0.221 0.000 1.208 320 W CA 2.169 59.378 57.345 -0.227 0.000 1.274 320 W CB -0.422 28.852 29.460 -0.311 0.000 1.138 320 W HN 0.037 nan 8.180 nan 0.000 0.515 321 A N 0.052 122.651 122.820 -0.369 0.000 1.969 321 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 321 A C 2.010 179.334 177.584 -0.434 0.000 1.169 321 A CA 1.782 53.456 52.037 -0.604 0.000 0.635 321 A CB -0.965 17.930 19.000 -0.175 0.000 0.810 321 A HN 0.558 nan 8.150 nan 0.000 0.445 322 E N -0.219 119.809 120.200 -0.287 0.000 2.051 322 E HA -0.239 4.111 4.350 -0.001 0.000 0.192 322 E C 1.962 178.407 176.600 -0.258 0.000 0.991 322 E CA 1.289 57.545 56.400 -0.239 0.000 0.799 322 E CB -0.174 29.422 29.700 -0.174 0.000 0.748 322 E HN 0.731 nan 8.360 nan 0.000 0.449 323 E N -0.275 119.757 120.200 -0.280 0.000 2.204 323 E HA -0.198 4.151 4.350 -0.001 0.000 0.195 323 E C 1.803 178.227 176.600 -0.293 0.000 0.990 323 E CA 0.872 57.122 56.400 -0.251 0.000 0.821 323 E CB 0.233 29.804 29.700 -0.215 0.000 0.750 323 E HN 0.240 nan 8.360 nan 0.000 0.477 324 E N -0.334 119.607 120.200 -0.432 0.000 2.060 324 E HA -0.077 4.272 4.350 -0.001 0.000 0.189 324 E C 2.205 178.669 176.600 -0.227 0.000 0.974 324 E CA 1.303 57.483 56.400 -0.368 0.000 0.808 324 E CB 0.015 29.351 29.700 -0.607 0.000 0.768 324 E HN 0.249 nan 8.360 nan 0.000 0.453 325 S N -1.262 114.297 115.700 -0.235 0.000 2.470 325 S HA 0.195 4.664 4.470 -0.001 0.000 0.222 325 S C 1.675 176.184 174.600 -0.153 0.000 1.024 325 S CA 0.884 58.995 58.200 -0.148 0.000 0.931 325 S CB 0.683 63.812 63.200 -0.118 0.000 0.791 325 S HN 0.306 nan 8.310 nan 0.000 0.513 326 G N 0.482 109.173 108.800 -0.182 0.000 2.175 326 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.244 326 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.244 326 G C 0.005 174.778 174.900 -0.210 0.000 0.982 326 G CA -0.008 44.988 45.100 -0.172 0.000 0.641 326 G HN 0.730 nan 8.290 nan 0.000 0.527 327 V N 2.276 122.039 119.914 -0.253 0.000 2.432 327 V HA 0.393 4.512 4.120 -0.001 0.000 0.271 327 V C -1.519 174.371 176.094 -0.340 0.000 1.046 327 V CA -1.495 60.587 62.300 -0.363 0.000 0.945 327 V CB 1.276 32.820 31.823 -0.465 0.000 0.992 327 V HN 0.099 nan 8.190 nan 0.000 0.471 328 P HA -0.067 nan 4.420 nan 0.000 0.259 328 P C 0.709 177.879 177.300 -0.217 0.000 1.163 328 P CA 0.607 63.568 63.100 -0.232 0.000 0.760 328 P CB 0.575 32.154 31.700 -0.202 0.000 0.762 329 A N 4.339 127.075 122.820 -0.141 0.000 1.883 329 A HA -0.280 4.039 4.320 -0.001 0.000 0.217 329 A C 2.259 179.811 177.584 -0.054 0.000 1.186 329 A CA 2.117 54.099 52.037 -0.092 0.000 0.624 329 A CB -1.823 17.142 19.000 -0.058 0.000 0.822 329 A HN 0.749 nan 8.150 nan 0.000 0.444 330 C N -0.601 118.673 119.300 -0.042 0.000 2.413 330 C HA -0.117 4.342 4.460 -0.001 0.000 0.277 330 C C 2.272 177.272 174.990 0.017 0.000 1.265 330 C CA 1.207 60.225 59.018 -0.000 0.000 1.752 330 C CB -1.611 26.131 27.740 0.003 0.000 1.998 330 C HN 0.659 nan 8.230 nan 0.000 0.489 331 E N 1.157 121.332 120.200 -0.041 0.000 2.106 331 E HA -0.062 4.287 4.350 -0.001 0.000 0.192 331 E C 2.175 178.820 176.600 0.076 0.000 0.984 331 E CA 1.357 57.764 56.400 0.011 0.000 0.806 331 E CB -0.224 29.372 29.700 -0.174 0.000 0.750 331 E HN 0.737 nan 8.360 nan 0.000 0.458 332 I N 0.990 121.513 120.570 -0.078 0.000 2.142 332 I HA -0.294 3.875 4.170 -0.001 0.000 0.240 332 I C 2.807 179.008 176.117 0.140 0.000 1.078 332 I CA 1.185 62.508 61.300 0.040 0.000 1.343 332 I CB -0.292 37.690 38.000 -0.031 0.000 1.046 332 I HN 0.024 nan 8.210 nan 0.000 0.405 333 R N 1.226 121.787 120.500 0.102 0.000 2.091 333 R HA -0.193 4.146 4.340 -0.001 0.000 0.238 333 R C 2.377 178.782 176.300 0.175 0.000 1.136 333 R CA 1.680 57.858 56.100 0.130 0.000 0.959 333 R CB -0.284 30.079 30.300 0.106 0.000 0.856 333 R HN 0.372 nan 8.270 nan 0.000 0.437 334 A N 1.000 123.925 122.820 0.174 0.000 1.933 334 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 334 A C 2.023 179.758 177.584 0.251 0.000 1.175 334 A CA 1.348 53.501 52.037 0.194 0.000 0.628 334 A CB -0.571 18.534 19.000 0.175 0.000 0.814 334 A HN 0.411 nan 8.150 nan 0.000 0.444 335 L N -0.444 120.963 121.223 0.306 0.000 2.093 335 L HA 0.043 4.382 4.340 -0.001 0.000 0.208 335 L C 2.583 179.740 176.870 0.479 0.000 1.085 335 L CA 2.044 57.099 54.840 0.359 0.000 0.755 335 L CB -0.822 41.474 42.059 0.396 0.000 0.904 335 L HN 0.317 nan 8.230 nan 0.000 0.435 336 A N -0.222 122.842 122.820 0.406 0.000 1.877 336 A HA -0.206 4.114 4.320 -0.001 0.000 0.216 336 A C 2.441 180.414 177.584 0.649 0.000 1.186 336 A CA 1.778 54.082 52.037 0.445 0.000 0.620 336 A CB -0.527 18.526 19.000 0.090 0.000 0.822 336 A HN 0.489 nan 8.150 nan 0.000 0.443 337 R N -1.252 119.499 120.500 0.419 0.000 2.081 337 R HA -0.159 4.180 4.340 -0.001 0.000 0.235 337 R C 2.520 179.009 176.300 0.316 0.000 1.131 337 R CA 1.680 57.985 56.100 0.341 0.000 0.960 337 R CB -0.255 30.184 30.300 0.232 0.000 0.856 337 R HN 0.628 nan 8.270 nan 0.000 0.436 338 Q N -0.037 119.952 119.800 0.316 0.000 2.079 338 Q HA -0.176 4.163 4.340 -0.001 0.000 0.200 338 Q C 1.651 177.853 176.000 0.338 0.000 0.974 338 Q CA 1.352 57.313 55.803 0.264 0.000 0.840 338 Q CB -0.280 28.588 28.738 0.217 0.000 0.898 338 Q HN 0.388 nan 8.270 nan 0.000 0.430 339 W N 0.538 121.985 121.300 0.244 0.000 2.335 339 W HA -0.153 4.506 4.660 -0.001 0.000 0.311 339 W C 1.939 178.534 176.519 0.127 0.000 1.213 339 W CA 2.212 59.714 57.345 0.263 0.000 1.274 339 W CB -0.928 28.835 29.460 0.506 0.000 1.148 339 W HN 0.287 nan 8.180 nan 0.000 0.498 340 A N 0.983 124.021 122.820 0.363 0.000 1.898 340 A HA -0.213 4.106 4.320 -0.001 0.000 0.216 340 A C 2.012 179.592 177.584 -0.007 0.000 1.181 340 A CA 2.307 54.294 52.037 -0.083 0.000 0.620 340 A CB -0.808 18.046 19.000 -0.243 0.000 0.819 340 A HN 0.459 nan 8.150 nan 0.000 0.442 341 K N -1.563 118.887 120.400 0.083 0.000 2.404 341 K HA 0.140 4.459 4.320 -0.001 0.000 0.194 341 K C -0.070 176.567 176.600 0.061 0.000 1.023 341 K CA 0.086 56.406 56.287 0.055 0.000 1.094 341 K CB 0.266 32.806 32.500 0.068 0.000 0.841 341 K HN 0.055 nan 8.250 nan 0.000 0.523 342 K N 1.307 121.762 120.400 0.091 0.000 2.281 342 K HA 0.261 4.580 4.320 -0.001 0.000 0.242 342 K C -0.872 175.760 176.600 0.052 0.000 0.971 342 K CA -0.958 55.374 56.287 0.075 0.000 0.834 342 K CB 1.233 33.786 32.500 0.088 0.000 1.181 342 K HN -0.058 nan 8.250 nan 0.000 0.435 343 N N 1.694 120.417 118.700 0.037 0.000 2.402 343 N HA 0.097 4.837 4.740 -0.001 0.000 0.259 343 N C -0.874 174.617 175.510 -0.031 0.000 1.167 343 N CA 0.342 53.384 53.050 -0.013 0.000 0.949 343 N CB 0.225 38.740 38.487 0.047 0.000 1.212 343 N HN 0.291 nan 8.380 nan 0.000 0.493 344 T N 2.426 116.917 114.554 -0.106 0.000 2.797 344 T HA 0.364 4.713 4.350 -0.001 0.000 0.279 344 T C -0.335 174.203 174.700 -0.270 0.000 0.991 344 T CA -0.372 61.630 62.100 -0.163 0.000 0.979 344 T CB 0.630 69.320 68.868 -0.297 0.000 0.943 344 T HN 0.192 nan 8.240 nan 0.000 0.444 345 Y N 1.833 122.087 120.300 -0.077 0.000 2.341 345 Y HA 0.528 5.078 4.550 -0.001 0.000 0.337 345 Y C -0.049 175.753 175.900 -0.164 0.000 1.014 345 Y CA -1.279 56.819 58.100 -0.003 0.000 1.111 345 Y CB 1.201 39.759 38.460 0.163 0.000 1.194 345 Y HN 0.414 nan 8.280 nan 0.000 0.462 346 L N 4.020 125.302 121.223 0.099 0.000 2.268 346 L HA 0.578 4.917 4.340 -0.001 0.000 0.289 346 L C 0.132 177.015 176.870 0.021 0.000 1.064 346 L CA -0.460 54.410 54.840 0.051 0.000 0.824 346 L CB 0.156 42.394 42.059 0.299 0.000 1.202 346 L HN 0.706 nan 8.230 nan 0.000 0.433 347 A N 5.588 128.312 122.820 -0.161 0.000 3.056 347 A HA 0.659 4.979 4.320 -0.001 0.000 0.274 347 A C 0.616 178.260 177.584 0.100 0.000 1.661 347 A CA -0.009 51.918 52.037 -0.184 0.000 1.363 347 A CB -0.805 17.831 19.000 -0.608 0.000 1.139 347 A HN 0.921 nan 8.150 nan 0.000 0.598 348 A N 1.493 124.424 122.820 0.185 0.000 2.395 348 A HA 0.590 4.910 4.320 -0.001 0.000 0.286 348 A C 1.107 178.919 177.584 0.379 0.000 1.193 348 A CA 0.599 52.874 52.037 0.397 0.000 0.852 348 A CB -0.811 18.344 19.000 0.258 0.000 1.118 348 A HN 2.514 nan 8.150 nan 0.000 0.524 349 G N 1.555 110.660 108.800 0.508 0.000 2.781 349 G HA2 0.181 4.141 3.960 -0.001 0.000 0.683 349 G HA3 0.181 4.141 3.960 -0.001 0.000 0.683 349 G C 0.802 175.799 174.900 0.162 0.000 1.390 349 G CA -0.125 45.183 45.100 0.347 0.000 0.850 349 G HN 1.684 nan 8.290 nan 0.000 0.557 350 G N -1.155 107.711 108.800 0.109 0.000 2.777 350 G HA2 0.356 4.316 3.960 -0.001 0.000 0.211 350 G HA3 0.356 4.316 3.960 -0.001 0.000 0.211 350 G C 1.609 176.466 174.900 -0.071 0.000 1.149 350 G CA 1.527 46.642 45.100 0.026 0.000 0.785 350 G HN 1.250 nan 8.290 nan 0.000 0.536 351 L N -0.130 121.017 121.223 -0.127 0.000 2.515 351 L HA 0.507 4.846 4.340 -0.001 0.000 0.223 351 L C 1.091 177.729 176.870 -0.387 0.000 1.079 351 L CA 1.361 55.995 54.840 -0.342 0.000 0.857 351 L CB 0.397 42.014 42.059 -0.736 0.000 1.050 351 L HN 0.272 nan 8.230 nan 0.000 0.476 352 G N -0.572 108.029 108.800 -0.332 0.000 2.698 352 G HA2 0.425 4.384 3.960 -0.001 0.000 0.360 352 G HA3 0.425 4.384 3.960 -0.001 0.000 0.360 352 G C 0.251 174.819 174.900 -0.553 0.000 1.005 352 G CA -0.303 44.601 45.100 -0.327 0.000 1.293 352 G HN 1.113 nan 8.290 nan 0.000 0.590 353 G N 0.179 108.625 108.800 -0.590 0.000 2.434 353 G HA2 0.458 4.418 3.960 -0.001 0.000 0.671 353 G HA3 0.458 4.418 3.960 -0.001 0.000 0.671 353 G C 0.327 174.935 174.900 -0.486 0.000 1.280 353 G CA 0.481 44.895 45.100 -1.143 0.000 0.975 353 G HN 2.092 nan 8.290 nan 0.000 0.510 354 W N -2.077 118.850 121.300 -0.621 0.000 3.206 354 W HA 0.345 5.004 4.660 -0.001 0.000 0.318 354 W C 1.227 177.995 176.519 0.415 0.000 0.206 354 W CA 2.008 59.325 57.345 -0.048 0.000 0.459 354 W CB -1.490 27.815 29.460 -0.259 0.000 2.523 354 W HN 3.039 nan 8.180 nan 0.000 0.418 355 G N -1.159 107.902 108.800 0.435 0.000 3.055 355 G HA2 0.491 4.451 3.960 -0.001 0.000 0.685 355 G HA3 0.491 4.451 3.960 -0.001 0.000 0.685 355 G C 0.403 175.323 174.900 0.034 0.000 1.212 355 G CA 0.510 45.765 45.100 0.258 0.000 0.822 355 G HN 1.740 nan 8.290 nan 0.000 0.610 356 G N 0.725 109.482 108.800 -0.072 0.000 2.450 356 G HA2 0.186 4.145 3.960 -0.001 0.000 0.220 356 G HA3 0.186 4.145 3.960 -0.001 0.000 0.220 356 G C 2.078 176.899 174.900 -0.133 0.000 1.130 356 G CA 2.495 47.554 45.100 -0.068 0.000 0.760 356 G HN 2.060 nan 8.290 nan 0.000 0.557 357 A N 0.414 123.004 122.820 -0.384 0.000 2.019 357 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 357 A C 2.631 179.978 177.584 -0.395 0.000 1.164 357 A CA 1.966 53.643 52.037 -0.599 0.000 0.644 357 A CB -1.029 17.041 19.000 -1.551 0.000 0.805 357 A HN 0.988 nan 8.150 nan 0.000 0.449 358 C N -0.155 119.097 119.300 -0.080 0.000 2.448 358 C HA 0.171 4.630 4.460 -0.001 0.000 0.280 358 C C 1.515 176.559 174.990 0.090 0.000 1.398 358 C CA 0.285 59.399 59.018 0.160 0.000 1.774 358 C CB -1.191 26.820 27.740 0.452 0.000 1.888 358 C HN 0.608 nan 8.230 nan 0.000 0.519 359 R N 0.990 121.524 120.500 0.057 0.000 3.050 359 R HA 0.741 5.080 4.340 -0.001 0.000 0.275 359 R C -0.457 175.857 176.300 0.023 0.000 1.373 359 R CA 0.293 56.438 56.100 0.074 0.000 1.612 359 R CB 0.209 30.564 30.300 0.093 0.000 1.218 359 R HN 0.461 nan 8.270 nan 0.000 0.621 360 A N 0.637 123.449 122.820 -0.015 0.000 2.588 360 A HA 0.386 4.706 4.320 -0.001 0.000 0.290 360 A C 0.657 178.167 177.584 -0.124 0.000 1.136 360 A CA -0.355 51.658 52.037 -0.040 0.000 0.681 360 A CB 1.087 20.130 19.000 0.070 0.000 1.282 360 A HN 0.419 nan 8.150 nan 0.000 0.421 361 S N 0.128 115.629 115.700 -0.332 0.000 2.419 361 S HA -0.202 4.267 4.470 -0.001 0.000 0.233 361 S C 1.137 175.570 174.600 -0.279 0.000 1.016 361 S CA 1.920 59.695 58.200 -0.709 0.000 0.974 361 S CB -0.590 61.721 63.200 -1.482 0.000 0.786 361 S HN 1.194 nan 8.310 nan 0.000 0.492 362 H N -0.322 118.576 119.070 -0.286 0.000 2.542 362 H HA 0.447 5.002 4.556 -0.001 0.000 0.283 362 H C 1.661 176.880 175.328 -0.182 0.000 1.059 362 H CA 0.085 55.968 56.048 -0.275 0.000 1.162 362 H CB -0.989 28.565 29.762 -0.347 0.000 1.539 362 H HN 0.363 nan 8.280 nan 0.000 0.543 363 G N 1.763 110.358 108.800 -0.342 0.000 2.475 363 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.220 363 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.220 363 G C 1.652 176.450 174.900 -0.171 0.000 1.125 363 G CA 1.061 46.007 45.100 -0.258 0.000 0.755 363 G HN 0.440 nan 8.290 nan 0.000 0.565 364 I N 0.360 120.871 120.570 -0.098 0.000 2.202 364 I HA -0.077 4.092 4.170 -0.001 0.000 0.242 364 I C 2.532 178.553 176.117 -0.160 0.000 1.091 364 I CA 0.936 62.189 61.300 -0.078 0.000 1.368 364 I CB -0.115 37.916 38.000 0.051 0.000 1.058 364 I HN 0.075 nan 8.210 nan 0.000 0.410 365 E N -0.152 119.992 120.200 -0.094 0.000 2.208 365 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 365 E C 1.624 178.180 176.600 -0.073 0.000 0.988 365 E CA 0.793 57.226 56.400 0.054 0.000 0.828 365 E CB -0.379 29.427 29.700 0.176 0.000 0.763 365 E HN 0.595 nan 8.360 nan 0.000 0.478 366 W N 2.016 123.078 121.300 -0.397 0.000 2.378 366 W HA -0.060 4.599 4.660 -0.001 0.000 0.313 366 W C 2.359 178.493 176.519 -0.642 0.000 1.197 366 W CA 2.163 59.245 57.345 -0.440 0.000 1.304 366 W CB -0.532 28.608 29.460 -0.534 0.000 1.148 366 W HN 0.031 nan 8.180 nan 0.000 0.494 367 A N 0.895 123.078 122.820 -1.061 0.000 1.902 367 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 367 A C 2.094 178.823 177.584 -1.424 0.000 1.181 367 A CA 1.872 52.814 52.037 -1.825 0.000 0.623 367 A CB -0.797 17.130 19.000 -1.789 0.000 0.818 367 A HN 0.394 nan 8.150 nan 0.000 0.443 368 R N -1.036 118.852 120.500 -1.020 0.000 2.148 368 R HA -0.076 4.264 4.340 -0.001 0.000 0.227 368 R C 2.303 177.836 176.300 -1.278 0.000 1.103 368 R CA 0.906 56.357 56.100 -1.081 0.000 0.983 368 R CB -0.450 29.292 30.300 -0.929 0.000 0.874 368 R HN 0.550 nan 8.270 nan 0.000 0.451 369 G N 0.669 108.829 108.800 -1.068 0.000 2.403 369 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.216 369 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.216 369 G C 1.410 175.888 174.900 -0.703 0.000 1.154 369 G CA 0.230 44.902 45.100 -0.714 0.000 0.784 369 G HN 0.054 nan 8.290 nan 0.000 0.538 370 M N 0.389 119.425 119.600 -0.940 0.000 2.175 370 M HA 0.143 4.623 4.480 -0.001 0.000 0.264 370 M C 2.573 178.581 176.300 -0.486 0.000 1.063 370 M CA 0.801 55.672 55.300 -0.716 0.000 1.119 370 M CB -0.910 31.172 32.600 -0.862 0.000 1.377 370 M HN 0.225 nan 8.290 nan 0.000 0.415 371 I N 0.110 120.252 120.570 -0.713 0.000 2.252 371 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 371 I C 2.610 178.442 176.117 -0.475 0.000 1.102 371 I CA 1.056 61.929 61.300 -0.711 0.000 1.385 371 I CB -0.609 36.710 38.000 -1.134 0.000 1.064 371 I HN 0.194 nan 8.210 nan 0.000 0.414 372 A N 0.867 123.337 122.820 -0.582 0.000 1.908 372 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 372 A C 2.146 179.737 177.584 0.011 0.000 1.181 372 A CA 1.577 53.400 52.037 -0.358 0.000 0.627 372 A CB -0.663 18.057 19.000 -0.467 0.000 0.818 372 A HN 0.269 nan 8.150 nan 0.000 0.445 373 L N -0.459 120.740 121.223 -0.039 0.000 2.005 373 L HA -0.066 4.273 4.340 -0.001 0.000 0.207 373 L C 3.041 180.028 176.870 0.195 0.000 1.072 373 L CA 1.996 56.905 54.840 0.114 0.000 0.744 373 L CB -1.288 40.732 42.059 -0.064 0.000 0.895 373 L HN 0.385 nan 8.230 nan 0.000 0.433 374 A N -1.531 121.381 122.820 0.154 0.000 1.940 374 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 374 A C 2.369 180.008 177.584 0.092 0.000 1.176 374 A CA 2.421 54.564 52.037 0.178 0.000 0.631 374 A CB -1.029 18.073 19.000 0.170 0.000 0.814 374 A HN 0.466 nan 8.150 nan 0.000 0.446 375 T N -0.182 114.442 114.554 0.116 0.000 2.777 375 T HA -0.087 4.262 4.350 -0.001 0.000 0.266 375 T C 1.905 176.657 174.700 0.086 0.000 1.040 375 T CA 1.607 63.821 62.100 0.190 0.000 1.141 375 T CB -0.279 68.781 68.868 0.320 0.000 0.868 375 T HN 0.447 nan 8.240 nan 0.000 0.444 376 M N 0.821 120.504 119.600 0.138 0.000 2.279 376 M HA -0.053 4.427 4.480 -0.001 0.000 0.264 376 M C 1.802 178.053 176.300 -0.081 0.000 1.062 376 M CA 1.151 56.507 55.300 0.092 0.000 1.099 376 M CB -0.132 32.609 32.600 0.236 0.000 1.394 376 M HN 0.079 nan 8.290 nan 0.000 0.426 377 Q N -0.117 119.565 119.800 -0.196 0.000 2.280 377 Q HA 0.186 4.525 4.340 -0.001 0.000 0.201 377 Q C 0.575 176.345 176.000 -0.384 0.000 0.890 377 Q CA 0.380 56.005 55.803 -0.298 0.000 0.947 377 Q CB 0.423 29.033 28.738 -0.213 0.000 1.081 377 Q HN 0.634 nan 8.270 nan 0.000 0.502 378 G N 2.944 111.320 108.800 -0.706 0.000 2.385 378 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.294 378 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.294 378 G C 0.228 174.616 174.900 -0.852 0.000 1.070 378 G CA 0.444 44.622 45.100 -1.538 0.000 1.172 378 G HN 0.421 nan 8.290 nan 0.000 0.516 379 M N -0.440 118.868 119.600 -0.487 0.000 2.251 379 M HA 0.485 4.965 4.480 -0.001 0.000 0.343 379 M C 1.422 177.777 176.300 0.091 0.000 1.245 379 M CA 1.305 56.571 55.300 -0.057 0.000 1.061 379 M CB 0.956 33.635 32.600 0.131 0.000 1.723 379 M HN 1.720 nan 8.290 nan 0.000 0.449 380 G N 2.363 111.205 108.800 0.070 0.000 2.278 380 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.210 380 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.210 380 G C -0.038 174.894 174.900 0.052 0.000 1.000 380 G CA 0.124 45.279 45.100 0.092 0.000 0.635 380 G HN 1.026 nan 8.290 nan 0.000 0.495 381 K N 1.051 121.456 120.400 0.008 0.000 2.098 381 K HA 0.633 4.952 4.320 -0.001 0.000 0.257 381 K C -2.839 173.714 176.600 -0.078 0.000 0.999 381 K CA -1.815 54.455 56.287 -0.028 0.000 0.924 381 K CB 1.142 33.615 32.500 -0.046 0.000 1.028 381 K HN 0.021 nan 8.250 nan 0.000 0.466 382 P HA -0.046 nan 4.420 nan 0.000 0.262 382 P C 0.357 177.500 177.300 -0.262 0.000 1.182 382 P CA 1.323 64.266 63.100 -0.261 0.000 0.761 382 P CB 0.392 31.777 31.700 -0.524 0.000 0.795 383 G N 1.648 110.394 108.800 -0.091 0.000 2.155 383 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.257 383 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.257 383 G C 0.173 174.784 174.900 -0.481 0.000 0.983 383 G CA 0.272 45.311 45.100 -0.102 0.000 0.676 383 G HN 0.824 nan 8.290 nan 0.000 0.528 384 S N -0.413 114.975 115.700 -0.520 0.000 2.689 384 S HA 0.659 5.128 4.470 -0.001 0.000 0.274 384 S C -0.884 173.540 174.600 -0.292 0.000 1.176 384 S CA 0.120 58.034 58.200 -0.476 0.000 1.014 384 S CB 1.271 64.319 63.200 -0.253 0.000 1.071 384 S HN 0.833 nan 8.310 nan 0.000 0.478 385 N N 2.536 121.103 118.700 -0.223 0.000 3.413 385 N HA 0.253 4.993 4.740 -0.001 0.000 0.273 385 N C -1.910 173.748 175.510 0.245 0.000 1.458 385 N CA -0.512 52.597 53.050 0.097 0.000 0.860 385 N CB 1.249 39.873 38.487 0.228 0.000 1.556 385 N HN 0.684 nan 8.380 nan 0.000 0.475 386 M N 1.493 121.248 119.600 0.257 0.000 2.113 386 M HA 0.430 4.909 4.480 -0.001 0.000 0.352 386 M C -1.656 174.827 176.300 0.304 0.000 1.170 386 M CA -0.450 54.995 55.300 0.242 0.000 1.053 386 M CB 0.614 33.324 32.600 0.183 0.000 1.601 386 M HN 0.514 nan 8.290 nan 0.000 0.459 387 W N 3.289 124.616 121.300 0.045 0.000 3.615 387 W HA 0.365 5.024 4.660 -0.001 0.000 0.319 387 W C -1.164 175.280 176.519 -0.125 0.000 1.172 387 W CA -0.586 56.724 57.345 -0.058 0.000 1.240 387 W CB 1.447 30.861 29.460 -0.078 0.000 1.313 387 W HN 0.518 nan 8.180 nan 0.000 0.487 388 S N 2.363 117.787 115.700 -0.461 0.000 2.597 388 S HA 0.041 4.510 4.470 -0.001 0.000 0.224 388 S C 1.351 175.507 174.600 -0.740 0.000 0.955 388 S CA 0.804 58.709 58.200 -0.492 0.000 0.933 388 S CB -0.050 63.016 63.200 -0.224 0.000 0.788 388 S HN 1.075 nan 8.310 nan 0.000 0.488 389 T N -0.933 112.619 114.554 -1.670 0.000 6.885 389 T HA -0.280 4.069 4.350 -0.001 0.000 0.286 389 T C 1.024 175.412 174.700 -0.520 0.000 2.119 389 T CA 2.006 63.199 62.100 -1.510 0.000 3.358 389 T CB -2.679 65.615 68.868 -0.957 0.000 1.764 389 T HN 0.573 nan 8.240 nan 0.000 1.202 390 T N -2.957 111.385 114.554 -0.354 0.000 3.023 390 T HA 0.367 4.716 4.350 -0.001 0.000 0.249 390 T C 0.924 175.580 174.700 -0.073 0.000 1.050 390 T CA 0.281 62.280 62.100 -0.168 0.000 1.088 390 T CB 0.333 69.096 68.868 -0.174 0.000 0.946 390 T HN 0.770 nan 8.240 nan 0.000 0.480 391 Q N -0.014 119.781 119.800 -0.008 0.000 2.823 391 Q HA 0.565 4.904 4.340 -0.001 0.000 0.230 391 Q C 0.773 176.882 176.000 0.182 0.000 1.026 391 Q CA -0.510 55.298 55.803 0.009 0.000 0.940 391 Q CB 1.037 29.699 28.738 -0.127 0.000 1.382 391 Q HN 0.391 nan 8.270 nan 0.000 0.502 392 G N -0.515 108.306 108.800 0.035 0.000 2.157 392 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.248 392 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.248 392 G C 0.004 174.894 174.900 -0.018 0.000 0.979 392 G CA 0.093 45.198 45.100 0.008 0.000 0.650 392 G HN 0.314 nan 8.290 nan 0.000 0.529 393 V N 1.311 121.208 119.914 -0.029 0.000 2.655 393 V HA 0.245 4.365 4.120 -0.001 0.000 0.300 393 V C -0.746 175.177 176.094 -0.285 0.000 1.044 393 V CA -0.225 61.933 62.300 -0.236 0.000 1.095 393 V CB 1.225 32.944 31.823 -0.173 0.000 0.952 393 V HN 0.122 nan 8.190 nan 0.000 0.485 394 P HA 0.098 nan 4.420 nan 0.000 0.286 394 P C 0.025 177.034 177.300 -0.486 0.000 1.577 394 P CA 0.252 63.032 63.100 -0.533 0.000 0.805 394 P CB -0.221 31.163 31.700 -0.527 0.000 1.706 395 L N -0.568 120.443 121.223 -0.353 0.000 2.476 395 L HA 0.146 4.485 4.340 -0.001 0.000 0.255 395 L C 1.088 177.819 176.870 -0.231 0.000 1.218 395 L CA -0.329 54.443 54.840 -0.114 0.000 0.819 395 L CB 0.109 42.289 42.059 0.203 0.000 1.119 395 L HN -0.072 nan 8.230 nan 0.000 0.485 396 D N -0.087 120.304 120.400 -0.016 0.000 2.367 396 D HA 0.016 4.655 4.640 -0.001 0.000 0.255 396 D C 0.779 177.243 176.300 0.275 0.000 1.300 396 D CA 0.353 54.384 54.000 0.052 0.000 0.959 396 D CB 0.110 40.979 40.800 0.114 0.000 1.064 396 D HN 0.289 nan 8.370 nan 0.000 0.509 397 Y N 1.432 121.923 120.300 0.319 0.000 2.497 397 Y HA -0.107 4.442 4.550 -0.001 0.000 0.292 397 Y C 2.015 178.121 175.900 0.343 0.000 1.137 397 Y CA 0.197 58.538 58.100 0.403 0.000 1.285 397 Y CB 0.316 38.962 38.460 0.310 0.000 0.991 397 Y HN 0.407 nan 8.280 nan 0.000 0.556 398 E N 0.137 120.579 120.200 0.403 0.000 2.158 398 E HA -0.134 4.215 4.350 -0.001 0.000 0.191 398 E C 0.191 177.006 176.600 0.358 0.000 0.982 398 E CA 0.062 56.654 56.400 0.320 0.000 0.823 398 E CB -0.043 29.803 29.700 0.242 0.000 0.766 398 E HN 0.182 nan 8.360 nan 0.000 0.468 399 F N 1.236 121.333 119.950 0.245 0.000 2.529 399 F HA 0.057 4.583 4.527 -0.001 0.000 0.365 399 F C -0.409 175.571 175.800 0.300 0.000 1.102 399 F CA -0.436 57.707 58.000 0.237 0.000 1.271 399 F CB 0.316 39.405 39.000 0.149 0.000 1.120 399 F HN -0.141 nan 8.300 nan 0.000 0.579 400 Y N 7.904 127.868 120.300 -0.560 0.000 2.328 400 Y HA 0.501 5.051 4.550 -0.001 0.000 0.337 400 Y C -1.956 173.718 175.900 -0.377 0.000 0.966 400 Y CA -1.732 56.192 58.100 -0.293 0.000 1.136 400 Y CB 0.825 39.209 38.460 -0.127 0.000 1.170 400 Y HN 0.534 nan 8.280 nan 0.000 0.470 401 F N 8.780 128.172 119.950 -0.930 0.000 2.607 401 F HA 0.577 5.103 4.527 -0.001 0.000 0.322 401 F C -2.769 172.648 175.800 -0.638 0.000 1.176 401 F CA -2.585 54.963 58.000 -0.753 0.000 0.977 401 F CB 1.803 40.663 39.000 -0.233 0.000 1.242 401 F HN 0.391 nan 8.300 nan 0.000 0.465 402 P HA 0.215 nan 4.420 nan 0.000 0.265 402 P C -0.116 177.042 177.300 -0.237 0.000 1.193 402 P CA 0.112 62.854 63.100 -0.597 0.000 0.765 402 P CB 0.727 31.813 31.700 -1.022 0.000 0.823 403 G N 1.594 110.328 108.800 -0.109 0.000 2.547 403 G HA2 0.240 4.199 3.960 -0.001 0.000 0.291 403 G HA3 0.240 4.199 3.960 -0.001 0.000 0.291 403 G C 0.275 174.986 174.900 -0.316 0.000 1.211 403 G CA -0.493 44.511 45.100 -0.161 0.000 0.950 403 G HN 0.555 nan 8.290 nan 0.000 0.504 404 Y N -1.355 118.720 120.300 -0.374 0.000 2.293 404 Y HA 0.109 4.658 4.550 -0.001 0.000 0.291 404 Y C 2.456 178.062 175.900 -0.490 0.000 1.137 404 Y CA 0.884 58.643 58.100 -0.568 0.000 1.202 404 Y CB -0.866 36.868 38.460 -1.211 0.000 0.990 404 Y HN 0.345 nan 8.280 nan 0.000 0.537 405 A N 0.911 123.357 122.820 -0.623 0.000 2.216 405 A HA -0.110 4.209 4.320 -0.001 0.000 0.214 405 A C 1.711 179.234 177.584 -0.100 0.000 1.160 405 A CA 1.050 52.814 52.037 -0.456 0.000 0.725 405 A CB -0.805 17.976 19.000 -0.365 0.000 0.784 405 A HN 0.657 nan 8.150 nan 0.000 0.472 406 E N -1.184 118.975 120.200 -0.068 0.000 2.463 406 E HA 0.251 4.600 4.350 -0.001 0.000 0.191 406 E C 1.355 178.040 176.600 0.141 0.000 1.083 406 E CA 0.234 56.681 56.400 0.079 0.000 0.872 406 E CB -0.201 29.548 29.700 0.081 0.000 0.966 406 E HN 0.703 nan 8.360 nan 0.000 0.491 407 G N 0.524 109.431 108.800 0.178 0.000 2.320 407 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.242 407 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.242 407 G C 0.928 175.993 174.900 0.275 0.000 1.033 407 G CA -0.008 45.257 45.100 0.276 0.000 0.620 407 G HN 0.745 nan 8.290 nan 0.000 0.517 408 G N 0.733 109.668 108.800 0.225 0.000 2.596 408 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.304 408 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.304 408 G C 1.329 176.486 174.900 0.428 0.000 1.189 408 G CA 2.372 47.678 45.100 0.344 0.000 0.986 408 G HN 2.022 nan 8.290 nan 0.000 0.548 409 I N 0.169 120.858 120.570 0.197 0.000 3.684 409 I HA 0.327 4.496 4.170 -0.001 0.000 0.304 409 I C 2.236 178.442 176.117 0.148 0.000 1.278 409 I CA 1.556 62.864 61.300 0.014 0.000 1.272 409 I CB 0.065 37.597 38.000 -0.779 0.000 1.029 409 I HN 0.525 nan 8.210 nan 0.000 0.458 410 S N 1.153 116.973 115.700 0.200 0.000 2.404 410 S HA 0.183 4.653 4.470 -0.001 0.000 0.223 410 S C 1.891 176.526 174.600 0.059 0.000 1.040 410 S CA 0.631 58.912 58.200 0.134 0.000 0.957 410 S CB -0.634 62.676 63.200 0.183 0.000 0.826 410 S HN 0.759 nan 8.310 nan 0.000 0.491 411 G N 1.876 110.779 108.800 0.173 0.000 2.179 411 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.257 411 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.257 411 G C -0.232 174.599 174.900 -0.116 0.000 1.010 411 G CA 0.348 45.450 45.100 0.004 0.000 0.736 411 G HN 0.657 nan 8.290 nan 0.000 0.513 412 D N -0.096 120.280 120.400 -0.042 0.000 2.348 412 D HA 0.235 4.874 4.640 -0.001 0.000 0.259 412 D C 1.594 177.845 176.300 -0.083 0.000 1.296 412 D CA -0.035 53.898 54.000 -0.112 0.000 0.931 412 D CB -0.011 40.681 40.800 -0.180 0.000 1.067 412 D HN 0.189 nan 8.370 nan 0.000 0.503 413 C N 2.913 122.148 119.300 -0.108 0.000 2.437 413 C HA -0.057 4.403 4.460 -0.001 0.000 0.283 413 C C 2.133 177.110 174.990 -0.022 0.000 1.424 413 C CA 0.314 59.291 59.018 -0.069 0.000 1.782 413 C CB -0.709 26.982 27.740 -0.081 0.000 1.833 413 C HN 0.735 nan 8.230 nan 0.000 0.532 414 E N 0.134 120.297 120.200 -0.061 0.000 2.372 414 E HA 0.033 4.382 4.350 -0.001 0.000 0.201 414 E C 1.299 177.870 176.600 -0.048 0.000 0.938 414 E CA 0.318 56.694 56.400 -0.040 0.000 0.944 414 E CB 0.076 29.733 29.700 -0.073 0.000 0.937 414 E HN 0.506 nan 8.360 nan 0.000 0.495 415 N N 0.685 119.297 118.700 -0.147 0.000 2.203 415 N HA 0.058 4.797 4.740 -0.001 0.000 0.207 415 N C -0.531 175.031 175.510 0.087 0.000 1.130 415 N CA 0.478 53.427 53.050 -0.169 0.000 0.861 415 N CB 1.434 39.511 38.487 -0.683 0.000 1.005 415 N HN 0.114 nan 8.380 nan 0.000 0.507 416 S N -1.613 114.166 115.700 0.132 0.000 2.596 416 S HA 0.601 5.070 4.470 -0.001 0.000 0.270 416 S C -0.068 174.622 174.600 0.150 0.000 1.155 416 S CA -0.656 57.703 58.200 0.265 0.000 0.827 416 S CB 1.577 64.975 63.200 0.329 0.000 1.130 416 S HN -0.043 nan 8.310 nan 0.000 0.467 417 A N 0.557 123.462 122.820 0.141 0.000 2.276 417 A HA 0.601 4.920 4.320 -0.001 0.000 0.212 417 A C 1.966 179.682 177.584 0.221 0.000 1.230 417 A CA 0.704 52.846 52.037 0.175 0.000 0.844 417 A CB -1.419 17.717 19.000 0.226 0.000 0.860 417 A HN 1.499 nan 8.150 nan 0.000 0.486 418 A N 0.066 122.982 122.820 0.159 0.000 1.927 418 A HA -0.070 4.249 4.320 -0.001 0.000 0.220 418 A C 2.295 179.849 177.584 -0.050 0.000 1.185 418 A CA 1.952 54.057 52.037 0.113 0.000 0.639 418 A CB -1.236 17.815 19.000 0.085 0.000 0.820 418 A HN 0.863 nan 8.150 nan 0.000 0.451 419 G N -2.133 106.640 108.800 -0.044 0.000 2.535 419 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.218 419 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.218 419 G C 1.282 176.271 174.900 0.148 0.000 1.122 419 G CA 0.979 46.039 45.100 -0.068 0.000 0.769 419 G HN 0.509 nan 8.290 nan 0.000 0.549 420 F N 0.246 120.183 119.950 -0.021 0.000 2.128 420 F HA 0.183 4.709 4.527 -0.001 0.000 0.295 420 F C 2.243 177.986 175.800 -0.095 0.000 1.100 420 F CA 2.023 59.929 58.000 -0.158 0.000 1.260 420 F CB 0.277 38.934 39.000 -0.572 0.000 1.009 420 F HN 0.160 nan 8.300 nan 0.000 0.476 421 K N -3.120 117.281 120.400 0.002 0.000 2.948 421 K HA -0.043 4.276 4.320 -0.001 0.000 0.182 421 K C 1.741 178.352 176.600 0.019 0.000 1.750 421 K CA 0.142 56.405 56.287 -0.040 0.000 1.390 421 K CB -0.931 31.392 32.500 -0.296 0.000 1.986 421 K HN 0.061 nan 8.250 nan 0.000 0.628 422 F N 2.671 122.611 119.950 -0.017 0.000 2.161 422 F HA -0.037 4.489 4.527 -0.001 0.000 0.300 422 F C 1.924 177.626 175.800 -0.164 0.000 1.089 422 F CA 1.914 59.890 58.000 -0.041 0.000 1.282 422 F CB -0.230 38.765 39.000 -0.009 0.000 1.010 422 F HN 0.210 nan 8.300 nan 0.000 0.485 423 A N -0.364 122.290 122.820 -0.277 0.000 1.908 423 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 423 A C 2.041 179.346 177.584 -0.465 0.000 1.181 423 A CA 1.811 53.601 52.037 -0.411 0.000 0.627 423 A CB -1.706 16.845 19.000 -0.748 0.000 0.818 423 A HN 0.655 nan 8.150 nan 0.000 0.445 424 W N -0.716 120.517 121.300 -0.111 0.000 2.519 424 W HA 0.041 4.700 4.660 -0.001 0.000 0.266 424 W C 2.456 178.841 176.519 -0.224 0.000 1.253 424 W CA 0.617 57.873 57.345 -0.149 0.000 1.274 424 W CB -0.026 29.325 29.460 -0.182 0.000 1.114 424 W HN 0.217 nan 8.180 nan 0.000 0.596 425 R N -0.677 119.699 120.500 -0.206 0.000 2.105 425 R HA 0.056 4.395 4.340 -0.001 0.000 0.214 425 R C 2.052 178.034 176.300 -0.530 0.000 1.091 425 R CA 0.926 56.831 56.100 -0.324 0.000 1.007 425 R CB -0.555 29.544 30.300 -0.336 0.000 0.912 425 R HN 0.125 nan 8.270 nan 0.000 0.450 426 M N 0.130 119.188 119.600 -0.904 0.000 2.254 426 M HA 0.030 4.509 4.480 -0.001 0.000 0.265 426 M C -0.370 175.315 176.300 -1.024 0.000 1.066 426 M CA 1.623 56.245 55.300 -1.131 0.000 1.123 426 M CB 0.331 31.954 32.600 -1.629 0.000 1.388 426 M HN -0.162 nan 8.290 nan 0.000 0.425 427 F N -0.022 119.746 119.950 -0.302 0.000 2.492 427 F HA 0.315 4.841 4.527 -0.001 0.000 0.327 427 F C 0.604 176.281 175.800 -0.204 0.000 1.079 427 F CA -0.950 56.906 58.000 -0.240 0.000 0.967 427 F CB 1.062 39.934 39.000 -0.214 0.000 1.169 427 F HN 0.131 nan 8.300 nan 0.000 0.472 428 D N -0.870 119.486 120.400 -0.074 0.000 2.469 428 D HA 0.186 4.825 4.640 -0.001 0.000 0.213 428 D C 1.399 177.645 176.300 -0.091 0.000 1.135 428 D CA 0.226 54.173 54.000 -0.090 0.000 0.834 428 D CB 0.368 41.092 40.800 -0.127 0.000 1.009 428 D HN 0.786 nan 8.370 nan 0.000 0.507 429 G N 0.750 109.458 108.800 -0.153 0.000 2.203 429 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.263 429 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.263 429 G C 0.831 175.727 174.900 -0.007 0.000 1.012 429 G CA 1.050 46.125 45.100 -0.042 0.000 0.749 429 G HN 0.489 nan 8.290 nan 0.000 0.512 430 K N -2.379 117.884 120.400 -0.228 0.000 2.735 430 K HA 0.135 4.454 4.320 -0.001 0.000 0.197 430 K C 2.265 178.845 176.600 -0.033 0.000 1.468 430 K CA 0.928 57.198 56.287 -0.029 0.000 1.109 430 K CB 0.266 32.747 32.500 -0.032 0.000 1.732 430 K HN 0.396 nan 8.250 nan 0.000 0.541 431 T N -2.140 112.254 114.554 -0.266 0.000 2.959 431 T HA 0.103 4.452 4.350 -0.001 0.000 0.254 431 T C 0.538 175.119 174.700 -0.199 0.000 1.003 431 T CA 0.018 62.046 62.100 -0.121 0.000 0.950 431 T CB 0.785 69.601 68.868 -0.087 0.000 1.090 431 T HN -0.008 nan 8.240 nan 0.000 0.503 432 T N 1.057 115.292 114.554 -0.531 0.000 2.886 432 T HA 0.676 5.026 4.350 -0.001 0.000 0.292 432 T C -2.071 172.379 174.700 -0.416 0.000 1.012 432 T CA -0.724 61.250 62.100 -0.210 0.000 0.982 432 T CB 0.868 69.710 68.868 -0.044 0.000 1.018 432 T HN 0.164 nan 8.240 nan 0.000 0.451 433 F N 3.818 123.963 119.950 0.325 0.000 2.576 433 F HA 0.617 5.143 4.527 -0.001 0.000 0.313 433 F C -2.225 173.394 175.800 -0.301 0.000 1.078 433 F CA -2.367 55.657 58.000 0.040 0.000 0.921 433 F CB 1.367 40.365 39.000 -0.002 0.000 1.232 433 F HN 0.354 nan 8.300 nan 0.000 0.459 434 P HA 0.149 nan 4.420 nan 0.000 0.274 434 P C -0.751 176.395 177.300 -0.257 0.000 1.260 434 P CA -0.476 62.124 63.100 -0.832 0.000 0.793 434 P CB 0.735 31.925 31.700 -0.850 0.000 1.048 435 S N 0.326 115.915 115.700 -0.186 0.000 2.252 435 S HA 0.467 4.936 4.470 -0.001 0.000 0.187 435 S C -2.673 171.858 174.600 -0.115 0.000 1.587 435 S CA -1.748 56.399 58.200 -0.088 0.000 1.215 435 S CB -0.621 62.568 63.200 -0.017 0.000 1.085 435 S HN 0.131 nan 8.310 nan 0.000 0.466 436 P HA 0.269 nan 4.420 nan 0.000 0.274 436 P C -0.945 176.288 177.300 -0.113 0.000 1.237 436 P CA -0.326 62.699 63.100 -0.125 0.000 0.793 436 P CB 0.884 32.522 31.700 -0.102 0.000 0.977 437 S N 1.224 116.845 115.700 -0.133 0.000 2.605 437 S HA 0.290 4.760 4.470 -0.001 0.000 0.308 437 S C 0.629 175.164 174.600 -0.109 0.000 1.113 437 S CA -0.684 57.445 58.200 -0.119 0.000 1.049 437 S CB -0.041 63.060 63.200 -0.166 0.000 1.001 437 S HN 0.445 nan 8.310 nan 0.000 0.480 438 N N 5.472 124.130 118.700 -0.070 0.000 2.322 438 N HA 0.115 4.854 4.740 -0.001 0.000 0.194 438 N C 0.811 176.296 175.510 -0.042 0.000 1.126 438 N CA 0.136 53.163 53.050 -0.039 0.000 0.845 438 N CB -0.121 38.367 38.487 0.000 0.000 0.976 438 N HN 0.601 nan 8.380 nan 0.000 0.475 439 L N -0.858 120.293 121.223 -0.121 0.000 2.526 439 L HA 0.207 4.546 4.340 -0.001 0.000 0.210 439 L C 0.585 177.289 176.870 -0.277 0.000 1.048 439 L CA 0.016 54.730 54.840 -0.210 0.000 0.852 439 L CB -0.167 41.740 42.059 -0.253 0.000 1.128 439 L HN 0.002 nan 8.230 nan 0.000 0.482 440 N N 1.286 119.784 118.700 -0.338 0.000 3.254 440 N HA 0.030 4.769 4.740 -0.001 0.000 0.308 440 N C -0.545 174.833 175.510 -0.220 0.000 1.281 440 N CA 0.363 53.214 53.050 -0.332 0.000 1.212 440 N CB -0.082 38.113 38.487 -0.486 0.000 1.478 440 N HN 0.057 nan 8.380 nan 0.000 0.548 441 T N -1.409 113.062 114.554 -0.138 0.000 2.843 441 T HA 0.282 4.631 4.350 -0.001 0.000 0.302 441 T C 0.961 175.660 174.700 -0.001 0.000 1.232 441 T CA -0.494 61.557 62.100 -0.081 0.000 1.009 441 T CB 1.003 69.837 68.868 -0.057 0.000 1.254 441 T HN 0.095 nan 8.240 nan 0.000 0.504 442 S N 1.253 116.973 115.700 0.033 0.000 2.370 442 S HA -0.057 4.413 4.470 -0.001 0.000 0.226 442 S C 2.046 176.791 174.600 0.242 0.000 1.033 442 S CA 1.538 59.857 58.200 0.197 0.000 1.011 442 S CB -0.477 62.795 63.200 0.120 0.000 0.852 442 S HN 0.820 nan 8.310 nan 0.000 0.457 443 A N 0.775 123.674 122.820 0.131 0.000 2.235 443 A HA 0.442 4.762 4.320 -0.001 0.000 0.208 443 A C 1.319 179.040 177.584 0.229 0.000 1.172 443 A CA 0.774 52.905 52.037 0.156 0.000 0.786 443 A CB -0.505 18.555 19.000 0.099 0.000 0.804 443 A HN 0.482 nan 8.150 nan 0.000 0.479 444 G N -0.946 107.948 108.800 0.157 0.000 3.227 444 G HA2 0.467 4.426 3.960 -0.001 0.000 0.171 444 G HA3 0.467 4.426 3.960 -0.001 0.000 0.171 444 G C -0.229 174.576 174.900 -0.158 0.000 1.463 444 G CA -0.036 45.073 45.100 0.016 0.000 1.016 444 G HN 0.410 nan 8.290 nan 0.000 0.594 445 Q N -0.436 119.133 119.800 -0.384 0.000 2.289 445 Q HA 0.438 4.777 4.340 -0.001 0.000 0.270 445 Q C -1.558 174.432 176.000 -0.017 0.000 1.038 445 Q CA -0.908 54.778 55.803 -0.194 0.000 0.812 445 Q CB 1.734 30.223 28.738 -0.416 0.000 1.300 445 Q HN 0.916 nan 8.270 nan 0.000 0.427 446 H N 3.150 122.249 119.070 0.048 0.000 2.990 446 H HA 0.700 5.255 4.556 -0.001 0.000 0.343 446 H C -1.328 174.061 175.328 0.101 0.000 1.270 446 H CA -0.871 55.187 56.048 0.016 0.000 1.118 446 H CB 1.409 31.167 29.762 -0.006 0.000 1.861 446 H HN 0.736 nan 8.280 nan 0.000 0.544 447 I N -1.946 118.463 120.570 -0.269 0.000 2.865 447 I HA 0.558 4.727 4.170 -0.001 0.000 0.302 447 I C -3.245 172.538 176.117 -0.556 0.000 1.140 447 I CA -2.867 58.066 61.300 -0.612 0.000 1.021 447 I CB 2.966 40.592 38.000 -0.624 0.000 1.233 447 I HN 0.170 nan 8.210 nan 0.000 0.427 448 P HA 0.203 nan 4.420 nan 0.000 0.271 448 P C 0.166 177.267 177.300 -0.331 0.000 1.220 448 P CA -0.284 62.514 63.100 -0.504 0.000 0.768 448 P CB 0.950 32.294 31.700 -0.593 0.000 0.848 449 R N 3.879 124.281 120.500 -0.163 0.000 2.105 449 R HA -0.119 4.220 4.340 -0.001 0.000 0.239 449 R C 1.415 177.638 176.300 -0.127 0.000 1.135 449 R CA 1.522 57.551 56.100 -0.119 0.000 0.967 449 R CB -0.615 29.666 30.300 -0.031 0.000 0.861 449 R HN 0.441 nan 8.270 nan 0.000 0.442 450 L N 0.301 121.465 121.223 -0.097 0.000 2.456 450 L HA -0.055 4.284 4.340 -0.001 0.000 0.224 450 L C 1.106 177.820 176.870 -0.261 0.000 1.148 450 L CA 0.887 55.683 54.840 -0.074 0.000 0.825 450 L CB 0.035 42.120 42.059 0.044 0.000 0.937 450 L HN 0.050 nan 8.230 nan 0.000 0.450 451 K N -0.382 119.763 120.400 -0.426 0.000 2.676 451 K HA 0.311 4.630 4.320 -0.001 0.000 0.205 451 K C 1.290 177.465 176.600 -0.709 0.000 1.084 451 K CA -0.024 55.833 56.287 -0.716 0.000 1.057 451 K CB 0.741 32.551 32.500 -1.149 0.000 0.791 451 K HN 0.192 nan 8.250 nan 0.000 0.484 452 I N 1.546 121.781 120.570 -0.558 0.000 2.226 452 I HA -0.195 3.974 4.170 -0.001 0.000 0.245 452 I C -0.858 174.900 176.117 -0.599 0.000 1.100 452 I CA 1.305 62.280 61.300 -0.541 0.000 1.374 452 I CB -1.012 36.787 38.000 -0.334 0.000 1.057 452 I HN 0.037 nan 8.210 nan 0.000 0.413 453 P HA -0.157 nan 4.420 nan 0.000 0.215 453 P C 1.268 178.270 177.300 -0.496 0.000 1.153 453 P CA 1.357 64.079 63.100 -0.629 0.000 0.853 453 P CB 0.056 31.294 31.700 -0.771 0.000 0.788 454 E N -1.140 118.744 120.200 -0.526 0.000 2.072 454 E HA -0.135 4.214 4.350 -0.001 0.000 0.191 454 E C 2.113 178.518 176.600 -0.324 0.000 0.985 454 E CA 1.033 57.186 56.400 -0.413 0.000 0.801 454 E CB -1.445 27.936 29.700 -0.531 0.000 0.750 454 E HN 0.218 nan 8.360 nan 0.000 0.452 455 C N 0.225 119.266 119.300 -0.431 0.000 2.429 455 C HA -0.059 4.400 4.460 -0.001 0.000 0.277 455 C C 2.548 177.395 174.990 -0.238 0.000 1.262 455 C CA 0.362 59.174 59.018 -0.344 0.000 1.733 455 C CB -0.843 26.416 27.740 -0.802 0.000 2.010 455 C HN 0.377 nan 8.230 nan 0.000 0.483 456 I N 0.372 120.717 120.570 -0.376 0.000 2.202 456 I HA -0.219 3.950 4.170 -0.001 0.000 0.242 456 I C 2.498 178.293 176.117 -0.537 0.000 1.091 456 I CA 1.700 62.779 61.300 -0.369 0.000 1.368 456 I CB -0.353 37.411 38.000 -0.394 0.000 1.058 456 I HN 0.333 nan 8.210 nan 0.000 0.410 457 M N -0.210 119.077 119.600 -0.523 0.000 2.388 457 M HA 0.029 4.508 4.480 -0.001 0.000 0.265 457 M C 2.076 178.215 176.300 -0.270 0.000 1.088 457 M CA 1.425 56.367 55.300 -0.596 0.000 1.134 457 M CB -0.390 32.054 32.600 -0.260 0.000 1.384 457 M HN 0.287 nan 8.290 nan 0.000 0.447 458 G N -0.817 107.890 108.800 -0.155 0.000 2.719 458 G HA2 0.277 4.236 3.960 -0.001 0.000 0.211 458 G HA3 0.277 4.236 3.960 -0.001 0.000 0.211 458 G C 1.163 176.085 174.900 0.036 0.000 1.140 458 G CA 0.484 45.571 45.100 -0.021 0.000 0.790 458 G HN 0.570 nan 8.290 nan 0.000 0.529 459 G N -0.479 108.351 108.800 0.050 0.000 2.168 459 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.257 459 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.257 459 G C 0.104 175.107 174.900 0.171 0.000 0.997 459 G CA 1.022 46.201 45.100 0.132 0.000 0.708 459 G HN 0.840 nan 8.290 nan 0.000 0.520 460 K N -1.726 118.847 120.400 0.288 0.000 2.622 460 K HA 0.658 4.977 4.320 -0.001 0.000 0.273 460 K C -1.964 174.931 176.600 0.492 0.000 0.957 460 K CA -0.952 55.529 56.287 0.324 0.000 0.861 460 K CB 1.234 33.826 32.500 0.154 0.000 1.405 460 K HN 0.441 nan 8.250 nan 0.000 0.406 461 F N 1.147 121.296 119.950 0.331 0.000 2.770 461 F HA 0.400 4.926 4.527 -0.001 0.000 0.313 461 F C -1.891 174.178 175.800 0.448 0.000 1.154 461 F CA -0.420 57.784 58.000 0.339 0.000 0.923 461 F CB 1.960 41.138 39.000 0.297 0.000 1.301 461 F HN 0.412 nan 8.300 nan 0.000 0.449 462 Q N 2.836 122.458 119.800 -0.296 0.000 2.309 462 Q HA 0.497 4.836 4.340 -0.001 0.000 0.273 462 Q C -1.985 173.976 176.000 -0.065 0.000 1.040 462 Q CA -0.381 55.352 55.803 -0.118 0.000 0.834 462 Q CB 2.907 31.557 28.738 -0.146 0.000 1.345 462 Q HN 0.790 nan 8.270 nan 0.000 0.414 463 W N 0.936 122.251 121.300 0.026 0.000 2.874 463 W HA 0.724 5.384 4.660 -0.001 0.000 0.403 463 W C -1.570 175.141 176.519 0.320 0.000 1.144 463 W CA -0.751 56.692 57.345 0.162 0.000 1.175 463 W CB 0.357 30.015 29.460 0.329 0.000 1.483 463 W HN 0.339 nan 8.180 nan 0.000 0.591 464 S N 1.301 117.321 115.700 0.533 0.000 2.472 464 S HA 0.749 5.218 4.470 -0.001 0.000 0.303 464 S C 0.105 175.197 174.600 0.820 0.000 1.099 464 S CA 0.133 58.647 58.200 0.523 0.000 1.077 464 S CB 0.852 64.339 63.200 0.479 0.000 1.031 464 S HN 1.664 nan 8.310 nan 0.000 0.487 465 G N 1.936 111.244 108.800 0.846 0.000 2.755 465 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.686 465 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.686 465 G C -0.831 174.483 174.900 0.691 0.000 1.427 465 G CA -0.670 44.938 45.100 0.846 0.000 0.873 465 G HN 0.766 nan 8.290 nan 0.000 0.580 466 K N 1.260 121.843 120.400 0.305 0.000 2.507 466 K HA 0.572 4.891 4.320 -0.001 0.000 0.253 466 K C 1.345 177.946 176.600 0.002 0.000 0.969 466 K CA 0.544 56.758 56.287 -0.122 0.000 0.908 466 K CB 0.521 32.641 32.500 -0.633 0.000 1.127 466 K HN 2.415 nan 8.250 nan 0.000 0.437 467 G N 3.547 112.401 108.800 0.090 0.000 2.660 467 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.321 467 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.321 467 G C -0.516 174.570 174.900 0.310 0.000 1.246 467 G CA 0.210 45.401 45.100 0.151 0.000 1.000 467 G HN 0.531 nan 8.290 nan 0.000 0.550 468 F N 2.638 122.569 119.950 -0.031 0.000 2.405 468 F HA 0.618 5.144 4.527 -0.001 0.000 0.358 468 F C 1.144 176.893 175.800 -0.085 0.000 1.151 468 F CA -1.000 56.883 58.000 -0.196 0.000 1.161 468 F CB 0.759 39.576 39.000 -0.304 0.000 1.245 468 F HN 0.700 nan 8.300 nan 0.000 0.545 469 A N 2.623 125.558 122.820 0.192 0.000 3.126 469 A HA 0.493 4.812 4.320 -0.001 0.000 0.268 469 A C 1.479 179.035 177.584 -0.046 0.000 1.605 469 A CA 0.131 52.242 52.037 0.124 0.000 1.305 469 A CB -0.891 18.168 19.000 0.098 0.000 1.160 469 A HN 0.820 nan 8.150 nan 0.000 0.609 470 G N -0.251 108.540 108.800 -0.015 0.000 3.042 470 G HA2 0.253 4.212 3.960 -0.001 0.000 0.212 470 G HA3 0.253 4.212 3.960 -0.001 0.000 0.212 470 G C 1.112 176.106 174.900 0.158 0.000 1.166 470 G CA 0.748 45.836 45.100 -0.020 0.000 0.767 470 G HN 0.674 nan 8.290 nan 0.000 0.546 471 G N -0.108 108.802 108.800 0.184 0.000 2.421 471 G HA2 0.088 4.047 3.960 -0.001 0.000 0.216 471 G HA3 0.088 4.047 3.960 -0.001 0.000 0.216 471 G C 0.343 175.089 174.900 -0.257 0.000 1.171 471 G CA 1.131 46.309 45.100 0.129 0.000 0.775 471 G HN 0.477 nan 8.290 nan 0.000 0.543 472 D N -3.133 116.811 120.400 -0.760 0.000 2.622 472 D HA 0.288 4.928 4.640 -0.001 0.000 0.255 472 D C 1.324 177.368 176.300 -0.426 0.000 1.246 472 D CA -0.775 52.886 54.000 -0.565 0.000 0.795 472 D CB 0.531 40.942 40.800 -0.648 0.000 1.369 472 D HN -0.092 nan 8.370 nan 0.000 0.425 473 I N 0.257 120.671 120.570 -0.258 0.000 2.151 473 I HA -0.252 3.917 4.170 -0.001 0.000 0.243 473 I C 1.583 177.573 176.117 -0.212 0.000 1.080 473 I CA 1.247 62.386 61.300 -0.269 0.000 1.339 473 I CB -0.243 37.654 38.000 -0.172 0.000 1.039 473 I HN 0.238 nan 8.210 nan 0.000 0.409 474 S N -1.239 114.415 115.700 -0.077 0.000 2.603 474 S HA -0.021 4.448 4.470 -0.001 0.000 0.220 474 S C 1.502 176.185 174.600 0.138 0.000 0.967 474 S CA 0.054 58.272 58.200 0.031 0.000 0.920 474 S CB -0.516 62.722 63.200 0.063 0.000 0.773 474 S HN 0.498 nan 8.310 nan 0.000 0.529 475 H N 2.104 121.172 119.070 -0.003 0.000 2.421 475 H HA -0.137 4.418 4.556 -0.001 0.000 0.298 475 H C 2.390 177.791 175.328 0.121 0.000 1.087 475 H CA 1.354 57.438 56.048 0.060 0.000 1.330 475 H CB 0.030 29.822 29.762 0.049 0.000 1.388 475 H HN 0.613 nan 8.280 nan 0.000 0.526 476 Q N 0.998 120.899 119.800 0.169 0.000 2.437 476 Q HA -0.070 4.269 4.340 -0.001 0.000 0.210 476 Q C 1.654 177.833 176.000 0.298 0.000 0.972 476 Q CA 0.860 56.795 55.803 0.219 0.000 0.903 476 Q CB -0.101 28.622 28.738 -0.025 0.000 0.967 476 Q HN 0.502 nan 8.270 nan 0.000 0.486 477 L N 0.049 121.324 121.223 0.087 0.000 2.446 477 L HA 0.104 4.443 4.340 -0.001 0.000 0.219 477 L C 1.412 178.263 176.870 -0.031 0.000 1.116 477 L CA -0.219 54.520 54.840 -0.168 0.000 0.844 477 L CB -0.448 41.277 42.059 -0.557 0.000 0.970 477 L HN 0.351 nan 8.230 nan 0.000 0.457 478 H N 2.267 121.342 119.070 0.008 0.000 2.972 478 H HA 0.038 4.593 4.556 -0.001 0.000 0.343 478 H C -0.248 174.963 175.328 -0.195 0.000 1.054 478 H CA 0.413 56.393 56.048 -0.114 0.000 1.412 478 H CB 0.768 30.443 29.762 -0.145 0.000 1.385 478 H HN 0.092 nan 8.280 nan 0.000 0.600 479 Q N 4.561 124.002 119.800 -0.599 0.000 2.243 479 Q HA 0.218 4.558 4.340 -0.001 0.000 0.252 479 Q C -0.853 174.780 176.000 -0.610 0.000 0.909 479 Q CA -0.294 55.274 55.803 -0.393 0.000 0.922 479 Q CB 1.231 29.830 28.738 -0.232 0.000 1.215 479 Q HN 0.513 nan 8.270 nan 0.000 0.427 480 Y N -0.142 119.894 120.300 -0.440 0.000 2.633 480 Y HA 0.438 4.988 4.550 -0.001 0.000 0.339 480 Y C 0.298 175.635 175.900 -0.937 0.000 1.045 480 Y CA -0.963 56.738 58.100 -0.666 0.000 1.098 480 Y CB 1.885 39.816 38.460 -0.881 0.000 1.296 480 Y HN 0.524 nan 8.280 nan 0.000 0.494 481 E N 0.150 120.062 120.200 -0.480 0.000 2.413 481 E HA 0.464 4.813 4.350 -0.001 0.000 0.277 481 E C -2.278 174.420 176.600 0.164 0.000 0.958 481 E CA -1.104 55.171 56.400 -0.208 0.000 0.779 481 E CB 2.963 32.626 29.700 -0.061 0.000 1.278 481 E HN 0.564 nan 8.360 nan 0.000 0.456 482 Y N 1.850 122.312 120.300 0.271 0.000 2.373 482 Y HA 0.433 4.982 4.550 -0.001 0.000 0.336 482 Y C -2.805 173.210 175.900 0.191 0.000 0.979 482 Y CA -2.279 55.999 58.100 0.297 0.000 1.080 482 Y CB 2.184 40.884 38.460 0.400 0.000 1.190 482 Y HN 0.407 nan 8.280 nan 0.000 0.446 483 P HA 0.261 nan 4.420 nan 0.000 0.274 483 P C -0.795 176.504 177.300 -0.001 0.000 1.231 483 P CA -0.178 62.623 63.100 -0.499 0.000 0.790 483 P CB 1.231 32.648 31.700 -0.472 0.000 0.951 484 A N 4.200 127.133 122.820 0.188 0.000 2.445 484 A HA 0.309 4.628 4.320 -0.001 0.000 0.242 484 A C -2.021 175.701 177.584 0.230 0.000 1.075 484 A CA -1.224 50.972 52.037 0.265 0.000 0.777 484 A CB -1.561 17.678 19.000 0.398 0.000 1.013 484 A HN 0.410 nan 8.150 nan 0.000 0.493 485 P HA 0.141 nan 4.420 nan 0.000 0.256 485 P C 1.086 178.368 177.300 -0.029 0.000 1.173 485 P CA 2.227 65.359 63.100 0.053 0.000 0.768 485 P CB 0.255 31.980 31.700 0.042 0.000 0.758 486 G N 1.800 110.558 108.800 -0.071 0.000 2.284 486 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.247 486 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.247 486 G C 0.048 174.809 174.900 -0.230 0.000 1.012 486 G CA -0.356 44.633 45.100 -0.184 0.000 0.618 486 G HN 0.447 nan 8.290 nan 0.000 0.521 487 Y N 1.044 121.365 120.300 0.036 0.000 2.334 487 Y HA 0.624 5.174 4.550 -0.001 0.000 0.325 487 Y C 1.107 177.027 175.900 0.034 0.000 1.308 487 Y CA 0.267 58.397 58.100 0.051 0.000 1.389 487 Y CB 1.326 39.829 38.460 0.072 0.000 1.328 487 Y HN 0.192 nan 8.280 nan 0.000 0.532 488 S N 0.587 116.448 115.700 0.268 0.000 2.608 488 S HA 0.379 4.848 4.470 -0.001 0.000 0.291 488 S C -0.633 174.028 174.600 0.102 0.000 1.146 488 S CA -0.958 57.338 58.200 0.160 0.000 1.043 488 S CB 0.505 63.837 63.200 0.220 0.000 1.037 488 S HN 0.528 nan 8.310 nan 0.000 0.520 489 K N 2.012 122.416 120.400 0.008 0.000 2.180 489 K HA 0.250 4.569 4.320 -0.001 0.000 0.251 489 K C -0.061 176.606 176.600 0.111 0.000 1.014 489 K CA -0.564 55.738 56.287 0.024 0.000 0.913 489 K CB 0.215 32.692 32.500 -0.038 0.000 1.008 489 K HN 0.497 nan 8.250 nan 0.000 0.490 490 I N 2.894 123.586 120.570 0.204 0.000 2.618 490 I HA -0.061 4.108 4.170 -0.001 0.000 0.284 490 I C 1.221 177.355 176.117 0.029 0.000 1.146 490 I CA 0.630 61.984 61.300 0.089 0.000 1.425 490 I CB 0.471 38.463 38.000 -0.014 0.000 1.383 490 I HN 0.575 nan 8.210 nan 0.000 0.562 491 K N 5.243 125.669 120.400 0.043 0.000 2.436 491 K HA 0.299 4.618 4.320 -0.001 0.000 0.198 491 K C 0.260 176.958 176.600 0.164 0.000 1.174 491 K CA 0.465 56.775 56.287 0.039 0.000 0.951 491 K CB 0.849 33.323 32.500 -0.043 0.000 1.040 491 K HN 0.683 nan 8.250 nan 0.000 0.536 492 M N -0.841 118.888 119.600 0.214 0.000 2.572 492 M HA 0.450 4.929 4.480 -0.001 0.000 0.299 492 M C -1.836 174.667 176.300 0.338 0.000 1.205 492 M CA -0.725 54.760 55.300 0.307 0.000 0.876 492 M CB 2.604 35.441 32.600 0.395 0.000 1.728 492 M HN -0.049 nan 8.290 nan 0.000 0.458 493 F N 4.362 124.390 119.950 0.131 0.000 2.553 493 F HA 0.413 4.940 4.527 -0.001 0.000 0.335 493 F C -1.801 174.106 175.800 0.177 0.000 1.148 493 F CA -0.697 57.390 58.000 0.146 0.000 0.963 493 F CB 1.199 40.243 39.000 0.073 0.000 1.217 493 F HN 0.745 nan 8.300 nan 0.000 0.441 494 W N 9.015 130.560 121.300 0.408 0.000 2.316 494 W HA 0.326 4.985 4.660 -0.001 0.000 0.339 494 W C -1.040 175.526 176.519 0.079 0.000 1.002 494 W CA -0.965 56.475 57.345 0.159 0.000 1.465 494 W CB 0.805 30.388 29.460 0.206 0.000 1.300 494 W HN 0.496 nan 8.180 nan 0.000 0.378 495 K N 4.488 124.985 120.400 0.161 0.000 2.205 495 K HA 0.104 4.423 4.320 -0.001 0.000 0.279 495 K C -1.312 175.437 176.600 0.248 0.000 1.027 495 K CA -0.696 55.582 56.287 -0.014 0.000 0.932 495 K CB 1.781 34.056 32.500 -0.374 0.000 1.032 495 K HN 0.290 nan 8.250 nan 0.000 0.466 496 Y N 1.802 122.129 120.300 0.044 0.000 2.464 496 Y HA 0.320 4.869 4.550 -0.001 0.000 0.326 496 Y C 0.262 176.106 175.900 -0.093 0.000 0.969 496 Y CA 0.530 58.644 58.100 0.024 0.000 1.270 496 Y CB 0.727 39.166 38.460 -0.034 0.000 1.103 496 Y HN 0.946 nan 8.280 nan 0.000 0.491 497 G N 2.884 111.584 108.800 -0.167 0.000 2.760 497 G HA2 0.208 4.167 3.960 -0.001 0.000 0.246 497 G HA3 0.208 4.167 3.960 -0.001 0.000 0.246 497 G C -0.073 174.707 174.900 -0.199 0.000 1.359 497 G CA -0.338 44.657 45.100 -0.174 0.000 0.861 497 G HN 1.518 nan 8.290 nan 0.000 0.541 498 G N -1.334 107.335 108.800 -0.219 0.000 4.574 498 G HA2 0.705 4.664 3.960 -0.001 0.000 0.236 498 G HA3 0.705 4.664 3.960 -0.001 0.000 0.236 498 G C -1.352 173.398 174.900 -0.250 0.000 1.733 498 G CA 0.835 45.777 45.100 -0.264 0.000 0.605 498 G HN 0.772 nan 8.290 nan 0.000 0.352 499 P HA 0.058 nan 4.420 nan 0.000 0.259 499 P C 0.921 178.107 177.300 -0.190 0.000 1.233 499 P CA 0.306 63.280 63.100 -0.210 0.000 0.827 499 P CB 0.280 31.885 31.700 -0.159 0.000 1.154 500 H N 0.264 119.146 119.070 -0.314 0.000 2.460 500 H HA -0.061 4.494 4.556 -0.001 0.000 0.297 500 H C 1.922 176.913 175.328 -0.562 0.000 1.103 500 H CA 0.548 56.280 56.048 -0.526 0.000 1.292 500 H CB -0.395 28.922 29.762 -0.742 0.000 1.376 500 H HN 0.091 nan 8.280 nan 0.000 0.531 501 L N -0.267 120.780 121.223 -0.293 0.000 2.265 501 L HA -0.095 4.244 4.340 -0.001 0.000 0.215 501 L C 2.444 179.150 176.870 -0.274 0.000 1.117 501 L CA 1.024 55.668 54.840 -0.327 0.000 0.782 501 L CB 0.020 41.819 42.059 -0.432 0.000 0.914 501 L HN 0.352 nan 8.230 nan 0.000 0.441 502 G N -2.054 106.600 108.800 -0.243 0.000 3.062 502 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.228 502 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.228 502 G C 1.305 176.075 174.900 -0.217 0.000 1.094 502 G CA 0.743 45.701 45.100 -0.238 0.000 0.782 502 G HN 0.364 nan 8.290 nan 0.000 0.541 503 T N -3.004 111.416 114.554 -0.224 0.000 2.975 503 T HA 0.381 4.730 4.350 -0.001 0.000 0.257 503 T C 1.409 175.963 174.700 -0.243 0.000 1.003 503 T CA -0.195 61.773 62.100 -0.219 0.000 0.932 503 T CB 0.332 69.066 68.868 -0.223 0.000 1.087 503 T HN -0.095 nan 8.240 nan 0.000 0.512 504 M N 2.833 122.242 119.600 -0.318 0.000 2.312 504 M HA 0.473 4.953 4.480 -0.001 0.000 0.214 504 M C 0.576 176.786 176.300 -0.150 0.000 0.803 504 M CA -0.106 55.013 55.300 -0.301 0.000 1.831 504 M CB -0.061 32.194 32.600 -0.576 0.000 1.114 504 M HN 0.326 nan 8.290 nan 0.000 0.892 505 T N -2.410 112.112 114.554 -0.053 0.000 2.887 505 T HA 0.707 5.056 4.350 -0.001 0.000 0.288 505 T C 0.084 174.790 174.700 0.010 0.000 1.021 505 T CA -0.333 61.756 62.100 -0.017 0.000 1.000 505 T CB 1.544 70.412 68.868 0.000 0.000 1.034 505 T HN 0.898 nan 8.240 nan 0.000 0.467 506 A N 1.760 124.563 122.820 -0.029 0.000 2.550 506 A HA -0.195 4.124 4.320 -0.001 0.000 0.298 506 A C 1.614 179.187 177.584 -0.018 0.000 1.485 506 A CA 1.283 53.292 52.037 -0.046 0.000 0.780 506 A CB -2.594 16.373 19.000 -0.055 0.000 1.045 506 A HN 1.973 nan 8.150 nan 0.000 0.423 507 T N -1.952 112.597 114.554 -0.008 0.000 2.969 507 T HA -0.202 4.147 4.350 -0.001 0.000 0.271 507 T C 1.420 176.120 174.700 0.000 0.000 1.127 507 T CA 1.402 63.534 62.100 0.052 0.000 1.102 507 T CB -0.434 68.367 68.868 -0.111 0.000 0.855 507 T HN 0.604 nan 8.240 nan 0.000 0.536 508 N N 2.146 120.813 118.700 -0.056 0.000 2.289 508 N HA -0.101 4.639 4.740 -0.001 0.000 0.184 508 N C 2.115 177.597 175.510 -0.047 0.000 1.016 508 N CA 1.315 54.335 53.050 -0.050 0.000 0.872 508 N CB -0.330 38.138 38.487 -0.032 0.000 0.973 508 N HN 0.768 nan 8.380 nan 0.000 0.433 509 R N -0.620 119.833 120.500 -0.079 0.000 2.148 509 R HA -0.095 4.244 4.340 -0.001 0.000 0.227 509 R C 1.286 177.421 176.300 -0.274 0.000 1.103 509 R CA 0.982 56.975 56.100 -0.179 0.000 0.983 509 R CB -0.787 29.356 30.300 -0.262 0.000 0.874 509 R HN 0.260 nan 8.270 nan 0.000 0.451 510 Y N 1.335 121.508 120.300 -0.211 0.000 2.373 510 Y HA 0.029 4.578 4.550 -0.001 0.000 0.293 510 Y C 2.767 178.495 175.900 -0.287 0.000 1.129 510 Y CA 1.218 59.171 58.100 -0.245 0.000 1.226 510 Y CB -0.058 38.291 38.460 -0.186 0.000 1.000 510 Y HN 0.244 nan 8.280 nan 0.000 0.549 511 A N 0.083 122.820 122.820 -0.138 0.000 1.898 511 A HA -0.116 4.204 4.320 -0.001 0.000 0.214 511 A C 2.110 179.626 177.584 -0.114 0.000 1.183 511 A CA 1.185 53.061 52.037 -0.269 0.000 0.622 511 A CB -0.325 18.637 19.000 -0.064 0.000 0.824 511 A HN 0.320 nan 8.150 nan 0.000 0.444 512 K N -0.007 120.362 120.400 -0.052 0.000 2.097 512 K HA -0.177 4.142 4.320 -0.001 0.000 0.206 512 K C 2.144 178.726 176.600 -0.029 0.000 1.049 512 K CA 1.807 58.094 56.287 -0.001 0.000 0.933 512 K CB -0.454 32.039 32.500 -0.010 0.000 0.717 512 K HN 0.801 nan 8.250 nan 0.000 0.442 513 M N -1.189 118.312 119.600 -0.164 0.000 2.279 513 M HA -0.148 4.331 4.480 -0.001 0.000 0.264 513 M C 1.371 177.586 176.300 -0.143 0.000 1.062 513 M CA 1.661 56.834 55.300 -0.211 0.000 1.099 513 M CB -0.754 31.606 32.600 -0.401 0.000 1.394 513 M HN -0.009 nan 8.290 nan 0.000 0.426 514 Y N 2.333 122.579 120.300 -0.090 0.000 2.333 514 Y HA -0.126 4.423 4.550 -0.001 0.000 0.290 514 Y C 2.596 178.552 175.900 0.094 0.000 1.144 514 Y CA 1.787 59.877 58.100 -0.017 0.000 1.228 514 Y CB -0.441 37.938 38.460 -0.134 0.000 0.985 514 Y HN 0.529 nan 8.280 nan 0.000 0.542 515 T N -3.127 111.572 114.554 0.241 0.000 3.163 515 T HA -0.001 4.348 4.350 -0.001 0.000 0.252 515 T C 0.336 175.128 174.700 0.154 0.000 1.056 515 T CA -0.230 61.992 62.100 0.202 0.000 0.947 515 T CB -0.501 68.478 68.868 0.184 0.000 1.016 515 T HN 0.212 nan 8.240 nan 0.000 0.554 516 H N 2.725 121.832 119.070 0.063 0.000 2.764 516 H HA 0.078 4.633 4.556 -0.001 0.000 0.341 516 H C 0.595 175.959 175.328 0.061 0.000 1.072 516 H CA 0.798 56.869 56.048 0.039 0.000 1.444 516 H CB 1.176 30.935 29.762 -0.005 0.000 1.458 516 H HN 0.492 nan 8.280 nan 0.000 0.572 517 D N 1.379 121.631 120.400 -0.246 0.000 2.310 517 D HA -0.187 4.452 4.640 -0.001 0.000 0.212 517 D C 1.700 178.049 176.300 0.081 0.000 0.965 517 D CA 1.032 54.998 54.000 -0.057 0.000 0.879 517 D CB 0.131 40.867 40.800 -0.107 0.000 0.921 517 D HN 0.391 nan 8.370 nan 0.000 0.510 518 S N -0.049 115.812 115.700 0.268 0.000 2.453 518 S HA -0.048 4.421 4.470 -0.001 0.000 0.231 518 S C 1.020 175.732 174.600 0.186 0.000 1.005 518 S CA -0.197 58.161 58.200 0.263 0.000 0.949 518 S CB -0.503 62.902 63.200 0.341 0.000 0.774 518 S HN 0.288 nan 8.310 nan 0.000 0.510 519 L N 2.430 123.781 121.223 0.213 0.000 2.385 519 L HA 0.238 4.577 4.340 -0.001 0.000 0.285 519 L C 1.076 178.072 176.870 0.210 0.000 1.125 519 L CA -0.102 54.846 54.840 0.179 0.000 0.890 519 L CB 0.474 42.639 42.059 0.176 0.000 1.251 519 L HN 0.386 nan 8.230 nan 0.000 0.445 520 E N 3.014 123.347 120.200 0.222 0.000 2.208 520 E HA -0.056 4.293 4.350 -0.001 0.000 0.193 520 E C -0.429 176.426 176.600 0.424 0.000 0.988 520 E CA 0.819 57.391 56.400 0.286 0.000 0.828 520 E CB 0.415 30.264 29.700 0.249 0.000 0.763 520 E HN 0.313 nan 8.360 nan 0.000 0.478 521 F N -0.137 119.899 119.950 0.143 0.000 2.615 521 F HA 0.314 4.840 4.527 -0.001 0.000 0.312 521 F C -1.731 174.104 175.800 0.058 0.000 1.119 521 F CA -1.170 56.864 58.000 0.056 0.000 0.979 521 F CB 1.569 40.629 39.000 0.100 0.000 1.266 521 F HN -0.428 nan 8.300 nan 0.000 0.444 522 V N 5.950 125.443 119.914 -0.701 0.000 2.482 522 V HA 0.598 4.717 4.120 -0.001 0.000 0.295 522 V C -1.032 174.556 176.094 -0.844 0.000 1.026 522 V CA -0.816 61.173 62.300 -0.519 0.000 0.856 522 V CB 1.621 33.370 31.823 -0.123 0.000 1.001 522 V HN 0.613 nan 8.190 nan 0.000 0.424 523 V N 2.979 122.466 119.914 -0.712 0.000 2.581 523 V HA 0.671 4.791 4.120 -0.001 0.000 0.303 523 V C 0.109 175.998 176.094 -0.341 0.000 1.041 523 V CA -0.440 61.483 62.300 -0.628 0.000 0.907 523 V CB 1.998 33.334 31.823 -0.811 0.000 0.994 523 V HN 0.816 nan 8.190 nan 0.000 0.442 524 S N 3.092 118.638 115.700 -0.256 0.000 2.596 524 S HA 0.414 4.883 4.470 -0.001 0.000 0.318 524 S C -0.660 173.885 174.600 -0.092 0.000 1.097 524 S CA -0.551 57.554 58.200 -0.157 0.000 1.080 524 S CB 1.097 64.169 63.200 -0.212 0.000 0.991 524 S HN 0.836 nan 8.310 nan 0.000 0.471 525 Q N 3.859 123.676 119.800 0.028 0.000 2.466 525 Q HA 0.584 4.923 4.340 -0.001 0.000 0.242 525 Q C -1.021 174.851 176.000 -0.212 0.000 1.046 525 Q CA -0.232 55.581 55.803 0.017 0.000 0.841 525 Q CB 0.506 29.420 28.738 0.293 0.000 1.193 525 Q HN 0.681 nan 8.270 nan 0.000 0.508 526 S N 2.580 118.142 115.700 -0.229 0.000 2.720 526 S HA 0.510 4.980 4.470 -0.001 0.000 0.287 526 S C 0.513 174.925 174.600 -0.314 0.000 1.168 526 S CA -0.708 57.315 58.200 -0.296 0.000 0.832 526 S CB 0.989 64.056 63.200 -0.222 0.000 1.166 526 S HN 0.655 nan 8.310 nan 0.000 0.493 527 I N -0.553 119.780 120.570 -0.394 0.000 2.685 527 I HA 0.194 4.364 4.170 -0.001 0.000 0.251 527 I C -0.066 175.622 176.117 -0.716 0.000 1.102 527 I CA 0.551 61.433 61.300 -0.697 0.000 1.442 527 I CB 0.247 37.491 38.000 -1.260 0.000 1.194 527 I HN 0.330 nan 8.210 nan 0.000 0.448 528 W N 0.204 121.441 121.300 -0.104 0.000 2.570 528 W HA 0.284 4.943 4.660 -0.001 0.000 0.337 528 W C -0.722 175.749 176.519 -0.080 0.000 1.067 528 W CA -0.980 56.325 57.345 -0.068 0.000 1.229 528 W CB 1.132 30.542 29.460 -0.084 0.000 1.355 528 W HN -0.179 nan 8.180 nan 0.000 0.555 529 F N 4.170 124.116 119.950 -0.005 0.000 2.462 529 F HA 0.160 4.686 4.527 -0.001 0.000 0.354 529 F C 0.267 175.957 175.800 -0.183 0.000 1.192 529 F CA 0.158 58.003 58.000 -0.259 0.000 1.173 529 F CB -0.241 38.436 39.000 -0.540 0.000 1.402 529 F HN 0.355 nan 8.300 nan 0.000 0.595 530 E N 2.380 122.328 120.200 -0.421 0.000 2.442 530 E HA 0.610 4.960 4.350 -0.001 0.000 0.278 530 E C 0.424 176.842 176.600 -0.303 0.000 1.082 530 E CA -0.819 55.390 56.400 -0.317 0.000 0.861 530 E CB 0.363 29.991 29.700 -0.119 0.000 1.462 530 E HN 0.609 nan 8.360 nan 0.000 0.458 531 G N 1.229 109.923 108.800 -0.175 0.000 2.660 531 G HA2 -0.444 3.515 3.960 -0.001 0.000 0.321 531 G HA3 -0.444 3.515 3.960 -0.001 0.000 0.321 531 G C 0.652 175.509 174.900 -0.072 0.000 1.246 531 G CA 0.958 45.998 45.100 -0.099 0.000 1.000 531 G HN 0.703 nan 8.290 nan 0.000 0.550 532 E N 0.296 120.434 120.200 -0.104 0.000 2.435 532 E HA 0.203 4.552 4.350 -0.001 0.000 0.195 532 E C 2.634 179.136 176.600 -0.163 0.000 1.029 532 E CA 0.514 56.892 56.400 -0.038 0.000 0.865 532 E CB 0.086 29.727 29.700 -0.098 0.000 0.833 532 E HN 0.316 nan 8.360 nan 0.000 0.510 533 V N 1.633 121.358 119.914 -0.316 0.000 2.380 533 V HA -0.204 3.915 4.120 -0.001 0.000 0.251 533 V C -1.061 174.721 176.094 -0.520 0.000 1.063 533 V CA 1.681 63.722 62.300 -0.431 0.000 1.055 533 V CB -1.262 30.254 31.823 -0.512 0.000 0.657 533 V HN 0.205 nan 8.190 nan 0.000 0.455 534 P HA 0.037 nan 4.420 nan 0.000 0.258 534 P C 0.576 177.650 177.300 -0.378 0.000 1.319 534 P CA 0.943 63.721 63.100 -0.537 0.000 0.785 534 P CB -0.335 30.941 31.700 -0.708 0.000 1.252 535 F N -1.258 118.497 119.950 -0.325 0.000 2.724 535 F HA 0.338 4.865 4.527 -0.001 0.000 0.306 535 F C 1.493 177.123 175.800 -0.283 0.000 1.100 535 F CA -0.380 57.378 58.000 -0.403 0.000 1.255 535 F CB -0.097 38.253 39.000 -1.084 0.000 1.072 535 F HN -0.201 nan 8.300 nan 0.000 0.589 536 A N 0.321 123.105 122.820 -0.061 0.000 2.366 536 A HA 0.174 4.493 4.320 -0.001 0.000 0.249 536 A C 0.838 178.414 177.584 -0.014 0.000 1.084 536 A CA -0.143 51.836 52.037 -0.096 0.000 0.794 536 A CB 0.207 19.096 19.000 -0.185 0.000 1.034 536 A HN 0.188 nan 8.150 nan 0.000 0.491 537 D N -0.411 119.838 120.400 -0.251 0.000 2.201 537 D HA 0.105 4.744 4.640 -0.001 0.000 0.209 537 D C 0.239 176.479 176.300 -0.099 0.000 0.961 537 D CA 1.176 54.973 54.000 -0.339 0.000 0.861 537 D CB 0.141 40.359 40.800 -0.970 0.000 0.997 537 D HN 0.315 nan 8.370 nan 0.000 0.486 538 I N 1.309 121.771 120.570 -0.179 0.000 2.545 538 I HA 0.351 4.521 4.170 -0.001 0.000 0.292 538 I C -0.367 175.666 176.117 -0.140 0.000 1.040 538 I CA -0.613 60.652 61.300 -0.057 0.000 1.068 538 I CB 2.301 40.312 38.000 0.018 0.000 1.251 538 I HN -0.216 nan 8.210 nan 0.000 0.424 539 I N 6.367 126.860 120.570 -0.128 0.000 2.436 539 I HA 0.426 4.596 4.170 -0.001 0.000 0.289 539 I C -0.695 175.286 176.117 -0.227 0.000 1.010 539 I CA -0.641 60.542 61.300 -0.196 0.000 1.098 539 I CB 2.114 39.958 38.000 -0.260 0.000 1.266 539 I HN 0.215 nan 8.210 nan 0.000 0.434 540 L N 7.533 128.639 121.223 -0.194 0.000 2.305 540 L HA 0.485 4.824 4.340 -0.001 0.000 0.284 540 L C -2.532 174.276 176.870 -0.103 0.000 1.013 540 L CA -1.899 52.807 54.840 -0.222 0.000 0.819 540 L CB 1.526 43.595 42.059 0.017 0.000 1.227 540 L HN 0.239 nan 8.230 nan 0.000 0.417 541 P HA 0.199 nan 4.420 nan 0.000 0.279 541 P C -0.709 176.667 177.300 0.127 0.000 1.318 541 P CA -0.041 63.068 63.100 0.016 0.000 0.819 541 P CB 1.094 32.819 31.700 0.041 0.000 0.927 542 A N 3.312 126.095 122.820 -0.062 0.000 2.282 542 A HA 0.640 4.959 4.320 -0.001 0.000 0.319 542 A C 0.412 177.894 177.584 -0.170 0.000 1.121 542 A CA -0.441 51.538 52.037 -0.098 0.000 0.836 542 A CB 0.482 19.356 19.000 -0.209 0.000 1.146 542 A HN 0.687 nan 8.150 nan 0.000 0.494 543 C N 0.247 119.479 119.300 -0.113 0.000 2.345 543 C HA 0.897 5.356 4.460 -0.001 0.000 0.370 543 C C 0.990 175.922 174.990 -0.097 0.000 1.209 543 C CA 0.058 59.007 59.018 -0.115 0.000 2.133 543 C CB 0.481 28.204 27.740 -0.029 0.000 2.293 543 C HN 1.162 nan 8.230 nan 0.000 0.544 544 T N -0.137 114.397 114.554 -0.033 0.000 2.754 544 T HA 0.193 4.543 4.350 -0.001 0.000 0.286 544 T C 1.134 175.947 174.700 0.188 0.000 0.997 544 T CA 0.161 62.348 62.100 0.146 0.000 0.982 544 T CB 0.339 69.446 68.868 0.399 0.000 1.027 544 T HN 0.905 nan 8.240 nan 0.000 0.529 545 N N -0.137 118.706 118.700 0.239 0.000 2.550 545 N HA -0.061 4.678 4.740 -0.001 0.000 0.186 545 N C 0.830 176.309 175.510 -0.051 0.000 1.110 545 N CA 0.533 53.632 53.050 0.082 0.000 0.912 545 N CB -0.476 38.032 38.487 0.034 0.000 0.968 545 N HN 0.596 nan 8.380 nan 0.000 0.448 546 F N 0.946 120.912 119.950 0.026 0.000 2.797 546 F HA 0.204 4.730 4.527 -0.001 0.000 0.302 546 F C 1.112 176.870 175.800 -0.070 0.000 1.130 546 F CA 0.217 58.204 58.000 -0.021 0.000 1.387 546 F CB 0.257 39.273 39.000 0.026 0.000 1.107 546 F HN 0.050 nan 8.300 nan 0.000 0.577 547 E N 0.273 120.523 120.200 0.082 0.000 2.624 547 E HA 0.189 4.538 4.350 -0.001 0.000 0.210 547 E C 0.133 176.706 176.600 -0.045 0.000 0.997 547 E CA -0.230 56.175 56.400 0.009 0.000 0.999 547 E CB 0.463 30.186 29.700 0.039 0.000 1.040 547 E HN 0.326 nan 8.360 nan 0.000 0.469 548 R N -1.046 119.395 120.500 -0.099 0.000 2.733 548 R HA 0.439 4.779 4.340 -0.001 0.000 0.272 548 R C -1.664 174.557 176.300 -0.132 0.000 1.029 548 R CA -1.039 55.021 56.100 -0.066 0.000 0.888 548 R CB 0.573 30.922 30.300 0.081 0.000 1.251 548 R HN -0.112 nan 8.270 nan 0.000 0.464 549 W N 0.863 122.231 121.300 0.113 0.000 2.365 549 W HA 0.520 5.179 4.660 -0.001 0.000 0.316 549 W C 0.011 176.604 176.519 0.123 0.000 1.164 549 W CA 0.527 57.955 57.345 0.138 0.000 1.204 549 W CB 1.150 30.730 29.460 0.200 0.000 1.213 549 W HN 0.482 nan 8.180 nan 0.000 0.539 550 D N 1.286 121.905 120.400 0.365 0.000 2.713 550 D HA 0.498 5.137 4.640 -0.001 0.000 0.306 550 D C -1.760 174.700 176.300 0.267 0.000 1.299 550 D CA -0.711 53.429 54.000 0.233 0.000 0.823 550 D CB 2.047 42.918 40.800 0.118 0.000 1.353 550 D HN 0.368 nan 8.370 nan 0.000 0.447 551 I N 0.494 121.164 120.570 0.168 0.000 2.827 551 I HA 0.596 4.765 4.170 -0.001 0.000 0.298 551 I C -1.309 174.903 176.117 0.157 0.000 1.235 551 I CA -0.066 61.399 61.300 0.274 0.000 1.021 551 I CB 1.650 39.910 38.000 0.432 0.000 1.259 551 I HN 0.582 nan 8.210 nan 0.000 0.427 552 S N 4.123 119.992 115.700 0.282 0.000 2.661 552 S HA 0.516 4.985 4.470 -0.001 0.000 0.268 552 S C -1.382 173.419 174.600 0.335 0.000 1.162 552 S CA -0.863 57.498 58.200 0.268 0.000 0.817 552 S CB 1.780 65.001 63.200 0.034 0.000 1.141 552 S HN 0.802 nan 8.310 nan 0.000 0.477 553 E N 0.199 120.656 120.200 0.429 0.000 2.266 553 E HA 0.501 4.850 4.350 -0.001 0.000 0.268 553 E C -1.295 175.688 176.600 0.638 0.000 0.879 553 E CA -0.943 55.671 56.400 0.357 0.000 0.762 553 E CB 1.038 30.876 29.700 0.230 0.000 1.199 553 E HN 0.519 nan 8.360 nan 0.000 0.422 554 F N 4.136 124.270 119.950 0.307 0.000 2.514 554 F HA 0.058 4.584 4.527 -0.001 0.000 0.399 554 F C 0.988 176.967 175.800 0.298 0.000 1.011 554 F CA 1.188 59.327 58.000 0.232 0.000 1.109 554 F CB -0.786 38.308 39.000 0.158 0.000 0.980 554 F HN 0.787 nan 8.300 nan 0.000 0.538 555 A N 3.757 126.931 122.820 0.591 0.000 2.910 555 A HA -0.333 3.987 4.320 -0.001 0.000 0.267 555 A C 0.847 178.810 177.584 0.632 0.000 1.310 555 A CA 1.100 53.409 52.037 0.454 0.000 0.934 555 A CB -2.568 16.518 19.000 0.143 0.000 1.057 555 A HN 0.778 nan 8.150 nan 0.000 0.742 556 N N -0.299 118.826 118.700 0.709 0.000 2.399 556 N HA 0.294 5.034 4.740 -0.001 0.000 0.259 556 N C 0.861 176.502 175.510 0.219 0.000 1.160 556 N CA 0.394 53.728 53.050 0.474 0.000 0.946 556 N CB 0.479 39.249 38.487 0.472 0.000 1.156 556 N HN 0.650 nan 8.380 nan 0.000 0.489 557 C N 2.716 122.046 119.300 0.051 0.000 2.520 557 C HA 0.279 4.738 4.460 -0.001 0.000 0.291 557 C C 1.409 176.099 174.990 -0.501 0.000 1.364 557 C CA 1.116 59.817 59.018 -0.528 0.000 1.781 557 C CB -0.951 26.775 27.740 -0.024 0.000 2.171 557 C HN 0.886 nan 8.230 nan 0.000 0.516 558 S N -1.105 114.451 115.700 -0.240 0.000 3.368 558 S HA 0.097 4.566 4.470 -0.001 0.000 0.632 558 S C 1.106 175.470 174.600 -0.394 0.000 2.690 558 S CA 2.224 60.245 58.200 -0.298 0.000 3.124 558 S CB -1.651 61.475 63.200 -0.125 0.000 0.317 558 S HN 2.604 nan 8.310 nan 0.000 1.617 559 G N 0.518 109.000 108.800 -0.530 0.000 2.677 559 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.321 559 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.321 559 G C 0.661 175.237 174.900 -0.541 0.000 1.181 559 G CA 1.142 45.971 45.100 -0.452 0.000 0.965 559 G HN 1.430 nan 8.290 nan 0.000 0.548 560 Y N 1.445 121.689 120.300 -0.092 0.000 2.477 560 Y HA 0.519 5.068 4.550 -0.001 0.000 0.303 560 Y C 1.152 176.988 175.900 -0.106 0.000 1.202 560 Y CA 0.292 58.338 58.100 -0.089 0.000 1.282 560 Y CB 0.198 38.606 38.460 -0.086 0.000 1.071 560 Y HN 0.265 nan 8.280 nan 0.000 0.510 561 I N 0.188 120.693 120.570 -0.108 0.000 2.901 561 I HA 0.225 4.395 4.170 -0.001 0.000 0.289 561 I C -2.897 172.973 176.117 -0.412 0.000 1.553 561 I CA -1.879 59.303 61.300 -0.196 0.000 0.829 561 I CB 0.936 38.887 38.000 -0.082 0.000 1.840 561 I HN -0.203 nan 8.210 nan 0.000 0.606 562 P HA 0.024 nan 4.420 nan 0.000 0.262 562 P C -0.149 176.853 177.300 -0.496 0.000 1.182 562 P CA 0.620 63.197 63.100 -0.872 0.000 0.761 562 P CB 0.288 31.191 31.700 -1.329 0.000 0.795 563 D N 1.300 121.498 120.400 -0.337 0.000 2.772 563 D HA -0.206 4.433 4.640 -0.001 0.000 0.233 563 D C 0.544 176.303 176.300 -0.902 0.000 1.143 563 D CA 1.090 54.724 54.000 -0.611 0.000 0.700 563 D CB -1.853 38.726 40.800 -0.369 0.000 1.076 563 D HN 0.669 nan 8.370 nan 0.000 0.430 564 N N -0.550 117.838 118.700 -0.520 0.000 2.521 564 N HA -0.150 4.589 4.740 -0.001 0.000 0.188 564 N C 1.744 177.102 175.510 -0.252 0.000 1.146 564 N CA 0.334 53.159 53.050 -0.376 0.000 0.893 564 N CB -0.426 37.935 38.487 -0.210 0.000 0.975 564 N HN 0.548 nan 8.380 nan 0.000 0.451 565 Y N -0.008 120.323 120.300 0.052 0.000 2.497 565 Y HA -0.084 4.465 4.550 -0.001 0.000 0.292 565 Y C 2.002 177.918 175.900 0.027 0.000 1.137 565 Y CA 0.298 58.443 58.100 0.075 0.000 1.285 565 Y CB -0.758 37.803 38.460 0.167 0.000 0.991 565 Y HN 0.280 nan 8.280 nan 0.000 0.556 566 Q N 1.041 120.758 119.800 -0.138 0.000 2.591 566 Q HA -0.068 4.272 4.340 -0.001 0.000 0.219 566 Q C 1.348 177.326 176.000 -0.036 0.000 0.981 566 Q CA 1.027 56.843 55.803 0.021 0.000 0.945 566 Q CB -0.506 28.207 28.738 -0.042 0.000 0.985 566 Q HN 0.638 nan 8.270 nan 0.000 0.542 567 L N 0.050 121.222 121.223 -0.086 0.000 2.341 567 L HA 0.050 4.389 4.340 -0.001 0.000 0.214 567 L C 0.690 177.477 176.870 -0.138 0.000 1.115 567 L CA -0.153 54.614 54.840 -0.122 0.000 0.820 567 L CB 0.214 42.182 42.059 -0.151 0.000 0.944 567 L HN 0.361 nan 8.230 nan 0.000 0.452 568 C N -0.523 118.686 119.300 -0.151 0.000 2.335 568 C HA 0.216 4.675 4.460 -0.001 0.000 0.363 568 C C 1.678 176.702 174.990 0.056 0.000 1.198 568 C CA -0.965 57.939 59.018 -0.190 0.000 2.279 568 C CB 0.922 28.366 27.740 -0.492 0.000 2.334 568 C HN 0.330 nan 8.230 nan 0.000 0.559 569 N N 0.119 118.909 118.700 0.151 0.000 2.457 569 N HA 0.019 4.758 4.740 -0.001 0.000 0.180 569 N C -0.310 175.196 175.510 -0.007 0.000 1.050 569 N CA 0.926 54.109 53.050 0.221 0.000 0.906 569 N CB -0.103 38.494 38.487 0.183 0.000 0.968 569 N HN 0.749 nan 8.380 nan 0.000 0.445 570 H N -1.330 117.965 119.070 0.374 0.000 3.046 570 H HA 0.354 4.909 4.556 -0.001 0.000 0.363 570 H C -0.548 174.932 175.328 0.253 0.000 1.203 570 H CA -0.701 55.552 56.048 0.341 0.000 1.169 570 H CB 1.336 31.336 29.762 0.397 0.000 1.851 570 H HN -0.204 nan 8.280 nan 0.000 0.546 571 R N 1.709 122.361 120.500 0.253 0.000 2.242 571 R HA 0.367 4.706 4.340 -0.001 0.000 0.334 571 R C -0.895 175.477 176.300 0.121 0.000 1.071 571 R CA -0.456 55.729 56.100 0.142 0.000 0.922 571 R CB 0.574 30.854 30.300 -0.033 0.000 1.023 571 R HN 0.219 nan 8.270 nan 0.000 0.458 572 V N 6.307 126.371 119.914 0.250 0.000 2.326 572 V HA 0.330 4.449 4.120 -0.001 0.000 0.281 572 V C 0.216 176.420 176.094 0.182 0.000 1.015 572 V CA -0.599 61.829 62.300 0.213 0.000 0.823 572 V CB 1.338 33.342 31.823 0.301 0.000 1.009 572 V HN 0.643 nan 8.190 nan 0.000 0.436 573 I N 5.055 125.702 120.570 0.129 0.000 2.315 573 I HA 0.505 4.674 4.170 -0.001 0.000 0.291 573 I C 0.355 176.696 176.117 0.374 0.000 1.006 573 I CA 0.193 61.529 61.300 0.060 0.000 1.265 573 I CB 1.556 39.439 38.000 -0.194 0.000 1.387 573 I HN 0.730 nan 8.210 nan 0.000 0.475 574 S N 6.502 122.420 115.700 0.363 0.000 2.548 574 S HA 0.627 5.096 4.470 -0.001 0.000 0.286 574 S C -0.795 174.037 174.600 0.387 0.000 1.098 574 S CA -0.947 57.473 58.200 0.367 0.000 0.930 574 S CB 2.183 65.487 63.200 0.173 0.000 1.070 574 S HN 0.470 nan 8.310 nan 0.000 0.480 575 L N 1.884 123.212 121.223 0.174 0.000 2.367 575 L HA 0.373 4.713 4.340 -0.001 0.000 0.275 575 L C -0.136 176.801 176.870 0.111 0.000 1.129 575 L CA 0.353 55.306 54.840 0.189 0.000 0.839 575 L CB 0.500 42.471 42.059 -0.147 0.000 1.133 575 L HN 0.773 nan 8.230 nan 0.000 0.453 576 Q N 5.441 125.341 119.800 0.166 0.000 2.503 576 Q HA 0.473 4.812 4.340 -0.001 0.000 0.227 576 Q C -0.278 175.721 176.000 -0.001 0.000 1.109 576 Q CA -0.482 55.333 55.803 0.020 0.000 0.922 576 Q CB 0.953 29.700 28.738 0.015 0.000 1.249 576 Q HN 0.860 nan 8.270 nan 0.000 0.530 577 A N 2.871 125.615 122.820 -0.126 0.000 2.401 577 A HA 0.118 4.437 4.320 -0.001 0.000 0.259 577 A C 0.140 177.332 177.584 -0.653 0.000 1.103 577 A CA -0.362 51.459 52.037 -0.360 0.000 0.789 577 A CB 0.333 19.177 19.000 -0.260 0.000 1.035 577 A HN 0.655 nan 8.150 nan 0.000 0.491 578 K N 2.782 122.357 120.400 -1.375 0.000 2.245 578 K HA 0.105 4.425 4.320 -0.001 0.000 0.281 578 K C 0.361 176.643 176.600 -0.530 0.000 1.079 578 K CA -0.264 55.450 56.287 -0.956 0.000 1.000 578 K CB -0.441 31.260 32.500 -1.331 0.000 1.038 578 K HN 0.720 nan 8.250 nan 0.000 0.430 579 C N 4.747 123.900 119.300 -0.245 0.000 2.446 579 C HA 0.080 4.539 4.460 -0.001 0.000 0.279 579 C C 1.161 176.148 174.990 -0.006 0.000 1.366 579 C CA -0.166 58.807 59.018 -0.075 0.000 1.763 579 C CB -1.182 26.602 27.740 0.073 0.000 1.929 579 C HN 0.849 nan 8.230 nan 0.000 0.509 580 I N -3.628 116.943 120.570 0.002 0.000 3.195 580 I HA 0.526 4.696 4.170 -0.001 0.000 0.313 580 I C -1.140 174.998 176.117 0.036 0.000 1.237 580 I CA -0.756 60.576 61.300 0.054 0.000 0.963 580 I CB 1.007 39.082 38.000 0.125 0.000 1.278 580 I HN -0.282 nan 8.210 nan 0.000 0.460 581 E N 2.139 122.378 120.200 0.064 0.000 2.383 581 E HA 0.334 4.684 4.350 -0.001 0.000 0.264 581 E C -2.381 174.258 176.600 0.066 0.000 1.050 581 E CA -1.475 54.962 56.400 0.062 0.000 0.896 581 E CB 0.242 29.986 29.700 0.073 0.000 0.982 581 E HN 0.397 nan 8.360 nan 0.000 0.424 582 P HA -0.088 nan 4.420 nan 0.000 0.263 582 P C -0.428 176.911 177.300 0.065 0.000 1.175 582 P CA 0.214 63.343 63.100 0.048 0.000 0.761 582 P CB 0.390 32.114 31.700 0.040 0.000 0.794 583 V N 3.922 123.870 119.914 0.056 0.000 2.572 583 V HA 0.329 4.449 4.120 -0.001 0.000 0.291 583 V C 1.426 177.558 176.094 0.064 0.000 1.039 583 V CA 1.325 63.671 62.300 0.078 0.000 1.055 583 V CB -0.167 31.698 31.823 0.070 0.000 0.969 583 V HN 1.066 nan 8.190 nan 0.000 0.482 584 G N 5.053 113.900 108.800 0.078 0.000 2.574 584 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.286 584 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.286 584 G C 0.380 175.357 174.900 0.128 0.000 1.212 584 G CA 0.593 45.746 45.100 0.088 0.000 0.979 584 G HN 0.728 nan 8.290 nan 0.000 0.557 585 E N 1.060 121.368 120.200 0.180 0.000 2.423 585 E HA 0.371 4.720 4.350 -0.001 0.000 0.198 585 E C 0.985 177.820 176.600 0.393 0.000 1.038 585 E CA 0.412 56.988 56.400 0.293 0.000 1.011 585 E CB 0.138 30.067 29.700 0.381 0.000 1.118 585 E HN 0.648 nan 8.360 nan 0.000 0.451 586 S N 0.717 116.549 115.700 0.220 0.000 2.617 586 S HA 0.548 5.017 4.470 -0.001 0.000 0.269 586 S C 0.138 174.801 174.600 0.104 0.000 1.292 586 S CA -0.704 57.620 58.200 0.207 0.000 1.010 586 S CB 1.008 64.238 63.200 0.051 0.000 0.944 586 S HN 0.201 nan 8.310 nan 0.000 0.536 587 M N 0.195 119.823 119.600 0.047 0.000 2.618 587 M HA 0.534 5.013 4.480 -0.001 0.000 0.281 587 M C -0.437 175.841 176.300 -0.036 0.000 1.267 587 M CA -0.990 54.264 55.300 -0.077 0.000 0.845 587 M CB 1.698 34.109 32.600 -0.314 0.000 1.732 587 M HN 0.717 nan 8.290 nan 0.000 0.461 588 S N -0.369 115.335 115.700 0.007 0.000 2.568 588 S HA 0.069 4.538 4.470 -0.001 0.000 0.282 588 S C 0.320 174.951 174.600 0.052 0.000 1.338 588 S CA -0.103 58.141 58.200 0.073 0.000 1.045 588 S CB 0.546 63.847 63.200 0.167 0.000 0.873 588 S HN 0.744 nan 8.310 nan 0.000 0.516 589 D N 0.721 121.171 120.400 0.082 0.000 2.123 589 D HA -0.167 4.473 4.640 -0.001 0.000 0.196 589 D C 1.444 177.754 176.300 0.016 0.000 0.992 589 D CA 1.703 55.701 54.000 -0.003 0.000 0.833 589 D CB -0.275 40.656 40.800 0.220 0.000 0.954 589 D HN 0.828 nan 8.370 nan 0.000 0.455 590 Y N 1.988 122.391 120.300 0.172 0.000 2.128 590 Y HA -0.207 4.342 4.550 -0.001 0.000 0.284 590 Y C 2.222 178.287 175.900 0.275 0.000 1.154 590 Y CA 1.535 59.829 58.100 0.325 0.000 1.149 590 Y CB 0.110 38.743 38.460 0.289 0.000 0.976 590 Y HN -0.176 nan 8.280 nan 0.000 0.505 591 E N 0.333 120.668 120.200 0.226 0.000 2.204 591 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 591 E C 2.320 178.853 176.600 -0.112 0.000 0.989 591 E CA 1.211 57.656 56.400 0.075 0.000 0.824 591 E CB -0.258 29.474 29.700 0.055 0.000 0.756 591 E HN 0.625 nan 8.360 nan 0.000 0.477 592 I N -0.087 120.372 120.570 -0.185 0.000 2.202 592 I HA -0.291 3.878 4.170 -0.001 0.000 0.242 592 I C 2.173 178.215 176.117 -0.125 0.000 1.091 592 I CA 1.235 62.397 61.300 -0.231 0.000 1.368 592 I CB -0.397 37.486 38.000 -0.195 0.000 1.058 592 I HN 0.122 nan 8.210 nan 0.000 0.410 593 Y N 0.281 120.473 120.300 -0.179 0.000 2.242 593 Y HA -0.225 4.324 4.550 -0.001 0.000 0.291 593 Y C 2.838 178.482 175.900 -0.426 0.000 1.137 593 Y CA 0.733 58.446 58.100 -0.646 0.000 1.181 593 Y CB -0.226 37.704 38.460 -0.884 0.000 0.989 593 Y HN 0.068 nan 8.280 nan 0.000 0.527 594 R N 0.378 120.863 120.500 -0.025 0.000 2.096 594 R HA -0.192 4.148 4.340 -0.001 0.000 0.235 594 R C 2.164 178.524 176.300 0.099 0.000 1.127 594 R CA 1.286 57.468 56.100 0.136 0.000 0.968 594 R CB -0.397 29.973 30.300 0.118 0.000 0.861 594 R HN 0.319 nan 8.270 nan 0.000 0.440 595 L N 0.137 121.357 121.223 -0.005 0.000 2.046 595 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 595 L C 1.677 178.537 176.870 -0.017 0.000 1.077 595 L CA 1.715 56.518 54.840 -0.062 0.000 0.747 595 L CB -0.605 41.326 42.059 -0.213 0.000 0.896 595 L HN 0.126 nan 8.230 nan 0.000 0.432 596 F N -0.273 119.717 119.950 0.068 0.000 2.186 596 F HA -0.135 4.391 4.527 -0.001 0.000 0.299 596 F C 2.487 178.438 175.800 0.253 0.000 1.090 596 F CA 1.138 59.249 58.000 0.184 0.000 1.307 596 F CB -0.553 38.574 39.000 0.210 0.000 1.019 596 F HN 0.207 nan 8.300 nan 0.000 0.489 597 A N -0.129 122.942 122.820 0.418 0.000 1.972 597 A HA -0.254 4.065 4.320 -0.001 0.000 0.219 597 A C 2.146 179.872 177.584 0.236 0.000 1.169 597 A CA 1.932 54.156 52.037 0.311 0.000 0.635 597 A CB -0.689 18.459 19.000 0.247 0.000 0.810 597 A HN 0.377 nan 8.150 nan 0.000 0.446 598 K N -0.040 120.480 120.400 0.200 0.000 2.025 598 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 598 K C 1.788 178.470 176.600 0.137 0.000 1.049 598 K CA 1.591 57.967 56.287 0.149 0.000 0.933 598 K CB -0.167 32.399 32.500 0.110 0.000 0.714 598 K HN 0.393 nan 8.250 nan 0.000 0.438 599 K N 0.301 120.791 120.400 0.149 0.000 2.439 599 K HA 0.001 4.320 4.320 -0.001 0.000 0.197 599 K C 1.397 178.101 176.600 0.174 0.000 1.041 599 K CA 0.521 56.896 56.287 0.146 0.000 0.970 599 K CB 0.195 32.778 32.500 0.138 0.000 0.773 599 K HN 0.233 nan 8.250 nan 0.000 0.479 600 L N 0.352 121.698 121.223 0.205 0.000 2.667 600 L HA 0.092 4.431 4.340 -0.001 0.000 0.232 600 L C 0.108 177.047 176.870 0.116 0.000 1.138 600 L CA -0.249 54.693 54.840 0.170 0.000 0.921 600 L CB -0.198 41.981 42.059 0.200 0.000 1.180 600 L HN 0.226 nan 8.230 nan 0.000 0.487 601 N N 1.376 120.147 118.700 0.118 0.000 2.725 601 N HA -0.235 4.504 4.740 -0.001 0.000 0.249 601 N C 0.341 175.907 175.510 0.094 0.000 1.103 601 N CA 1.040 54.148 53.050 0.097 0.000 0.707 601 N CB -1.029 37.503 38.487 0.076 0.000 1.043 601 N HN 0.627 nan 8.380 nan 0.000 0.553 602 I N -4.152 116.487 120.570 0.116 0.000 3.994 602 I HA 0.274 4.443 4.170 -0.001 0.000 0.323 602 I C 1.375 177.607 176.117 0.192 0.000 1.501 602 I CA -0.538 60.832 61.300 0.117 0.000 1.112 602 I CB 0.277 38.318 38.000 0.068 0.000 1.254 602 I HN 0.092 nan 8.210 nan 0.000 0.495 603 E N 2.311 122.634 120.200 0.204 0.000 2.070 603 E HA -0.330 4.019 4.350 -0.001 0.000 0.197 603 E C 1.924 178.688 176.600 0.273 0.000 1.004 603 E CA 2.374 58.934 56.400 0.266 0.000 0.805 603 E CB 0.159 29.983 29.700 0.207 0.000 0.744 603 E HN 0.591 nan 8.360 nan 0.000 0.451 604 E N 0.078 120.394 120.200 0.192 0.000 2.051 604 E HA -0.203 4.146 4.350 -0.001 0.000 0.192 604 E C 1.903 178.617 176.600 0.191 0.000 0.991 604 E CA 1.814 58.314 56.400 0.167 0.000 0.799 604 E CB -0.156 29.612 29.700 0.114 0.000 0.748 604 E HN 0.287 nan 8.360 nan 0.000 0.449 605 M N -0.557 119.153 119.600 0.183 0.000 2.117 605 M HA 0.013 4.492 4.480 -0.001 0.000 0.262 605 M C 1.924 178.389 176.300 0.275 0.000 1.065 605 M CA 1.246 56.655 55.300 0.181 0.000 1.114 605 M CB -0.755 31.918 32.600 0.121 0.000 1.361 605 M HN 0.199 nan 8.290 nan 0.000 0.408 606 F N 0.672 120.728 119.950 0.177 0.000 2.074 606 F HA -0.147 4.379 4.527 -0.001 0.000 0.293 606 F C 2.625 178.660 175.800 0.391 0.000 1.116 606 F CA 1.830 59.965 58.000 0.224 0.000 1.212 606 F CB -0.767 38.349 39.000 0.194 0.000 0.998 606 F HN 0.250 nan 8.300 nan 0.000 0.471 607 S N -0.727 115.083 115.700 0.183 0.000 2.446 607 S HA -0.022 4.447 4.470 -0.001 0.000 0.225 607 S C 0.848 175.629 174.600 0.301 0.000 1.016 607 S CA 0.643 59.009 58.200 0.277 0.000 0.943 607 S CB -0.539 62.883 63.200 0.371 0.000 0.786 607 S HN 0.567 nan 8.310 nan 0.000 0.508 608 E N 0.472 120.803 120.200 0.219 0.000 2.722 608 E HA -0.188 4.161 4.350 -0.001 0.000 0.265 608 E C 0.653 177.258 176.600 0.008 0.000 1.081 608 E CA 0.269 56.737 56.400 0.113 0.000 0.781 608 E CB -2.265 27.482 29.700 0.078 0.000 1.372 608 E HN 1.046 nan 8.360 nan 0.000 0.423 609 G N 0.488 109.330 108.800 0.070 0.000 2.198 609 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.260 609 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.260 609 G C -0.079 174.801 174.900 -0.034 0.000 1.025 609 G CA 1.116 46.238 45.100 0.036 0.000 0.769 609 G HN 0.277 nan 8.290 nan 0.000 0.507 610 K N 0.664 121.031 120.400 -0.055 0.000 2.345 610 K HA 0.531 4.851 4.320 -0.001 0.000 0.255 610 K C -0.254 176.370 176.600 0.039 0.000 0.934 610 K CA -0.709 55.451 56.287 -0.211 0.000 0.801 610 K CB 1.663 33.671 32.500 -0.819 0.000 1.137 610 K HN 0.296 nan 8.250 nan 0.000 0.424 611 D N 0.657 121.067 120.400 0.016 0.000 2.451 611 D HA 0.039 4.678 4.640 -0.001 0.000 0.259 611 D C 0.563 176.857 176.300 -0.009 0.000 1.201 611 D CA -0.482 53.587 54.000 0.116 0.000 1.028 611 D CB 0.602 41.462 40.800 0.100 0.000 1.095 611 D HN 0.503 nan 8.370 nan 0.000 0.539 612 E N -1.159 119.013 120.200 -0.046 0.000 2.070 612 E HA -0.174 4.175 4.350 -0.001 0.000 0.197 612 E C 1.807 178.447 176.600 0.068 0.000 1.004 612 E CA 0.743 57.116 56.400 -0.046 0.000 0.805 612 E CB -0.174 29.573 29.700 0.077 0.000 0.744 612 E HN 0.294 nan 8.360 nan 0.000 0.451 613 L N 0.684 121.926 121.223 0.032 0.000 2.079 613 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 613 L C 2.156 178.939 176.870 -0.144 0.000 1.081 613 L CA 1.940 56.746 54.840 -0.057 0.000 0.752 613 L CB -0.697 41.187 42.059 -0.292 0.000 0.896 613 L HN 0.085 nan 8.230 nan 0.000 0.433 614 A N -1.818 120.892 122.820 -0.183 0.000 1.898 614 A HA -0.235 4.084 4.320 -0.001 0.000 0.216 614 A C 2.128 179.528 177.584 -0.307 0.000 1.181 614 A CA 1.567 53.422 52.037 -0.302 0.000 0.620 614 A CB -1.215 17.585 19.000 -0.333 0.000 0.819 614 A HN 0.609 nan 8.150 nan 0.000 0.442 615 W N -0.616 120.567 121.300 -0.195 0.000 2.363 615 W HA -0.189 4.470 4.660 -0.001 0.000 0.296 615 W C 2.583 179.039 176.519 -0.105 0.000 1.212 615 W CA 0.984 58.242 57.345 -0.145 0.000 1.260 615 W CB -0.508 28.852 29.460 -0.166 0.000 1.131 615 W HN 0.357 nan 8.180 nan 0.000 0.530 616 C N -0.759 118.595 119.300 0.090 0.000 2.429 616 C HA -0.198 4.261 4.460 -0.001 0.000 0.277 616 C C 2.506 177.342 174.990 -0.256 0.000 1.262 616 C CA 1.408 60.449 59.018 0.038 0.000 1.733 616 C CB -1.204 26.637 27.740 0.168 0.000 2.010 616 C HN 0.407 nan 8.230 nan 0.000 0.483 617 E N 0.354 120.082 120.200 -0.787 0.000 2.072 617 E HA -0.265 4.084 4.350 -0.001 0.000 0.191 617 E C 2.281 178.645 176.600 -0.393 0.000 0.985 617 E CA 1.124 56.796 56.400 -1.215 0.000 0.801 617 E CB -0.260 28.561 29.700 -1.465 0.000 0.750 617 E HN 0.704 nan 8.360 nan 0.000 0.452 618 Q N -0.479 119.174 119.800 -0.244 0.000 2.084 618 Q HA -0.246 4.093 4.340 -0.001 0.000 0.202 618 Q C 2.003 178.018 176.000 0.025 0.000 0.978 618 Q CA 1.654 57.383 55.803 -0.123 0.000 0.844 618 Q CB -0.311 28.335 28.738 -0.153 0.000 0.898 618 Q HN 0.444 nan 8.270 nan 0.000 0.426 619 Y N 0.187 120.513 120.300 0.043 0.000 2.097 619 Y HA -0.317 4.232 4.550 -0.001 0.000 0.282 619 Y C 1.966 177.967 175.900 0.167 0.000 1.152 619 Y CA 2.123 60.331 58.100 0.180 0.000 1.136 619 Y CB -0.538 38.039 38.460 0.195 0.000 0.975 619 Y HN 0.298 nan 8.280 nan 0.000 0.498 620 F N 1.431 121.540 119.950 0.265 0.000 2.091 620 F HA -0.342 4.184 4.527 -0.001 0.000 0.299 620 F C 2.011 177.863 175.800 0.087 0.000 1.103 620 F CA 2.260 60.394 58.000 0.224 0.000 1.228 620 F CB -0.570 38.588 39.000 0.262 0.000 0.984 620 F HN 0.097 nan 8.300 nan 0.000 0.477 621 N N 0.480 119.323 118.700 0.238 0.000 2.520 621 N HA -0.050 4.689 4.740 -0.001 0.000 0.185 621 N C 1.507 176.967 175.510 -0.084 0.000 1.068 621 N CA 0.984 54.079 53.050 0.075 0.000 0.911 621 N CB -0.352 38.178 38.487 0.072 0.000 0.961 621 N HN 0.417 nan 8.380 nan 0.000 0.446 622 A N 0.307 123.042 122.820 -0.142 0.000 2.275 622 A HA 0.078 4.397 4.320 -0.001 0.000 0.212 622 A C 1.275 178.780 177.584 -0.130 0.000 1.201 622 A CA 0.188 52.081 52.037 -0.240 0.000 0.843 622 A CB -0.153 18.524 19.000 -0.538 0.000 0.873 622 A HN 0.338 nan 8.150 nan 0.000 0.492 623 T N -4.344 110.112 114.554 -0.164 0.000 2.844 623 T HA 0.421 4.771 4.350 -0.001 0.000 0.274 623 T C 0.016 174.619 174.700 -0.162 0.000 0.991 623 T CA -0.133 61.843 62.100 -0.205 0.000 0.983 623 T CB 0.883 69.521 68.868 -0.384 0.000 1.310 623 T HN -0.066 nan 8.240 nan 0.000 0.596 624 D N -0.234 120.036 120.400 -0.218 0.000 2.339 624 D HA 0.153 4.793 4.640 -0.001 0.000 0.217 624 D C 1.850 178.202 176.300 0.087 0.000 1.050 624 D CA 0.100 54.024 54.000 -0.126 0.000 0.856 624 D CB -0.080 40.503 40.800 -0.361 0.000 0.922 624 D HN 0.283 nan 8.370 nan 0.000 0.518 625 M N 0.449 120.012 119.600 -0.060 0.000 2.106 625 M HA -0.118 4.361 4.480 -0.001 0.000 0.259 625 M C -0.798 175.440 176.300 -0.103 0.000 1.068 625 M CA 1.466 56.676 55.300 -0.150 0.000 1.100 625 M CB -2.026 30.047 32.600 -0.878 0.000 1.351 625 M HN -0.033 nan 8.290 nan 0.000 0.404 626 P HA -0.171 nan 4.420 nan 0.000 0.220 626 P C 1.104 178.450 177.300 0.077 0.000 1.144 626 P CA 1.286 64.429 63.100 0.070 0.000 0.800 626 P CB -0.196 31.538 31.700 0.057 0.000 0.772 627 K N -2.365 118.086 120.400 0.085 0.000 2.288 627 K HA -0.091 4.228 4.320 -0.001 0.000 0.201 627 K C 1.293 177.792 176.600 -0.168 0.000 1.048 627 K CA 1.188 57.470 56.287 -0.008 0.000 0.956 627 K CB -0.195 32.329 32.500 0.040 0.000 0.746 627 K HN 0.302 nan 8.250 nan 0.000 0.461 628 Y N -0.371 119.930 120.300 0.002 0.000 2.581 628 Y HA 0.243 4.792 4.550 -0.001 0.000 0.271 628 Y C 0.813 176.659 175.900 -0.090 0.000 1.100 628 Y CA -0.314 57.741 58.100 -0.074 0.000 1.281 628 Y CB 0.692 38.995 38.460 -0.262 0.000 1.237 628 Y HN -0.067 nan 8.280 nan 0.000 0.514 629 M N -1.247 118.413 119.600 0.099 0.000 2.605 629 M HA 0.430 4.909 4.480 -0.001 0.000 0.281 629 M C -0.777 175.712 176.300 0.315 0.000 1.166 629 M CA -0.916 54.473 55.300 0.148 0.000 0.875 629 M CB 1.725 34.383 32.600 0.096 0.000 1.732 629 M HN -0.046 nan 8.290 nan 0.000 0.504 630 T N -1.722 112.978 114.554 0.243 0.000 2.788 630 T HA 0.146 4.495 4.350 -0.001 0.000 0.287 630 T C 0.796 175.588 174.700 0.154 0.000 1.007 630 T CA -0.420 61.840 62.100 0.267 0.000 1.005 630 T CB 1.230 70.188 68.868 0.149 0.000 1.012 630 T HN 0.946 nan 8.240 nan 0.000 0.530 631 W N 1.441 122.608 121.300 -0.221 0.000 2.335 631 W HA -0.214 4.445 4.660 -0.001 0.000 0.311 631 W C 1.011 177.414 176.519 -0.193 0.000 1.213 631 W CA 1.899 58.871 57.345 -0.622 0.000 1.274 631 W CB -0.479 28.708 29.460 -0.455 0.000 1.148 631 W HN 0.717 nan 8.180 nan 0.000 0.498 632 D N 0.373 120.634 120.400 -0.232 0.000 2.104 632 D HA -0.220 4.419 4.640 -0.001 0.000 0.194 632 D C 1.999 178.195 176.300 -0.173 0.000 0.994 632 D CA 2.134 55.973 54.000 -0.268 0.000 0.830 632 D CB -0.711 40.034 40.800 -0.092 0.000 0.959 632 D HN 0.414 nan 8.370 nan 0.000 0.452 633 E N -0.441 119.717 120.200 -0.070 0.000 2.077 633 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 633 E C 1.981 178.557 176.600 -0.039 0.000 0.989 633 E CA 0.493 56.877 56.400 -0.025 0.000 0.800 633 E CB -0.241 29.481 29.700 0.036 0.000 0.746 633 E HN 0.245 nan 8.360 nan 0.000 0.452 634 F N 1.070 120.913 119.950 -0.178 0.000 2.102 634 F HA -0.208 4.319 4.527 -0.001 0.000 0.298 634 F C 2.073 177.720 175.800 -0.255 0.000 1.105 634 F CA 1.273 59.178 58.000 -0.159 0.000 1.239 634 F CB -0.410 38.533 39.000 -0.095 0.000 0.991 634 F HN -0.048 nan 8.300 nan 0.000 0.474 635 F N 1.202 120.743 119.950 -0.682 0.000 2.161 635 F HA -0.214 4.312 4.527 -0.001 0.000 0.300 635 F C 2.450 177.974 175.800 -0.460 0.000 1.089 635 F CA 2.227 59.770 58.000 -0.761 0.000 1.282 635 F CB -0.488 37.893 39.000 -1.032 0.000 1.010 635 F HN -0.023 nan 8.300 nan 0.000 0.485 636 K N 0.264 120.535 120.400 -0.216 0.000 2.103 636 K HA -0.177 4.143 4.320 -0.001 0.000 0.204 636 K C 2.303 178.762 176.600 -0.235 0.000 1.052 636 K CA 1.228 57.414 56.287 -0.168 0.000 0.945 636 K CB -0.156 32.302 32.500 -0.071 0.000 0.722 636 K HN 0.212 nan 8.250 nan 0.000 0.443 637 K N -1.159 119.076 120.400 -0.274 0.000 2.116 637 K HA -0.077 4.242 4.320 -0.001 0.000 0.203 637 K C 1.124 177.539 176.600 -0.309 0.000 1.052 637 K CA 1.423 57.544 56.287 -0.276 0.000 0.952 637 K CB 0.161 32.495 32.500 -0.278 0.000 0.729 637 K HN 0.387 nan 8.250 nan 0.000 0.446 638 G N -0.304 108.208 108.800 -0.481 0.000 2.317 638 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.227 638 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.227 638 G C -0.027 174.715 174.900 -0.264 0.000 1.042 638 G CA 0.588 45.467 45.100 -0.369 0.000 0.623 638 G HN 0.500 nan 8.290 nan 0.000 0.509 639 Y N -1.958 118.190 120.300 -0.253 0.000 2.609 639 Y HA 0.790 5.339 4.550 -0.001 0.000 0.336 639 Y C -1.433 174.576 175.900 0.181 0.000 1.129 639 Y CA -2.399 55.684 58.100 -0.029 0.000 1.040 639 Y CB 1.093 39.550 38.460 -0.004 0.000 1.310 639 Y HN 0.672 nan 8.280 nan 0.000 0.460 640 F N 2.285 122.346 119.950 0.185 0.000 2.557 640 F HA 0.701 5.227 4.527 -0.001 0.000 0.316 640 F C -1.858 173.935 175.800 -0.011 0.000 1.141 640 F CA -1.322 56.700 58.000 0.036 0.000 0.922 640 F CB 1.910 41.020 39.000 0.183 0.000 1.194 640 F HN 0.503 nan 8.300 nan 0.000 0.443 641 V N 6.887 126.308 119.914 -0.821 0.000 2.348 641 V HA 0.250 4.370 4.120 -0.001 0.000 0.270 641 V C -0.120 175.220 176.094 -1.255 0.000 1.037 641 V CA -0.809 61.006 62.300 -0.808 0.000 0.872 641 V CB 0.930 32.258 31.823 -0.825 0.000 1.002 641 V HN 0.597 nan 8.190 nan 0.000 0.464 642 V N 8.665 128.009 119.914 -0.950 0.000 2.599 642 V HA 0.078 4.197 4.120 -0.001 0.000 0.300 642 V C -1.738 173.998 176.094 -0.596 0.000 1.034 642 V CA -0.811 60.925 62.300 -0.940 0.000 1.115 642 V CB 0.489 31.921 31.823 -0.651 0.000 0.934 642 V HN 0.748 nan 8.190 nan 0.000 0.485 643 P HA 0.106 nan 4.420 nan 0.000 0.270 643 P C -0.543 176.699 177.300 -0.096 0.000 1.223 643 P CA -0.267 62.695 63.100 -0.230 0.000 0.785 643 P CB 0.416 32.060 31.700 -0.094 0.000 0.923 644 D N 1.013 121.419 120.400 0.009 0.000 2.341 644 D HA 0.052 4.691 4.640 -0.001 0.000 0.245 644 D C -0.200 176.141 176.300 0.069 0.000 1.106 644 D CA -0.036 54.009 54.000 0.076 0.000 0.905 644 D CB 0.156 41.038 40.800 0.138 0.000 1.202 644 D HN 0.074 nan 8.370 nan 0.000 0.426 645 N N 3.189 121.927 118.700 0.065 0.000 3.044 645 N HA 0.284 5.023 4.740 -0.001 0.000 0.254 645 N C -2.199 173.344 175.510 0.055 0.000 1.253 645 N CA -1.980 51.111 53.050 0.068 0.000 0.944 645 N CB 1.122 39.652 38.487 0.072 0.000 1.217 645 N HN 0.189 nan 8.380 nan 0.000 0.498 646 P HA -0.053 nan 4.420 nan 0.000 0.218 646 P C 0.705 178.035 177.300 0.050 0.000 1.146 646 P CA 1.028 64.166 63.100 0.063 0.000 0.813 646 P CB 0.488 32.228 31.700 0.066 0.000 0.778 647 N N -0.677 118.053 118.700 0.050 0.000 2.336 647 N HA -0.020 4.719 4.740 -0.001 0.000 0.177 647 N C 0.764 176.300 175.510 0.042 0.000 1.018 647 N CA 0.197 53.274 53.050 0.045 0.000 0.878 647 N CB -0.489 38.026 38.487 0.047 0.000 0.997 647 N HN 0.270 nan 8.380 nan 0.000 0.433 648 R N 2.974 123.501 120.500 0.045 0.000 2.538 648 R HA -0.073 4.266 4.340 -0.001 0.000 0.273 648 R C 0.049 176.373 176.300 0.040 0.000 0.967 648 R CA 0.122 56.249 56.100 0.046 0.000 1.101 648 R CB 0.005 30.334 30.300 0.049 0.000 0.908 648 R HN 0.107 nan 8.270 nan 0.000 0.411 649 K N 2.739 123.167 120.400 0.047 0.000 2.350 649 K HA 0.129 4.448 4.320 -0.001 0.000 0.279 649 K C -0.675 175.962 176.600 0.062 0.000 1.027 649 K CA -0.653 55.663 56.287 0.048 0.000 0.969 649 K CB 0.780 33.307 32.500 0.046 0.000 0.954 649 K HN 0.361 nan 8.250 nan 0.000 0.474 650 K N 2.419 122.855 120.400 0.060 0.000 2.249 650 K HA 0.114 4.433 4.320 -0.001 0.000 0.280 650 K C -0.246 176.417 176.600 0.105 0.000 1.033 650 K CA -0.338 55.997 56.287 0.080 0.000 0.946 650 K CB 1.236 33.770 32.500 0.056 0.000 1.005 650 K HN 0.892 nan 8.250 nan 0.000 0.469 651 T N -1.772 112.871 114.554 0.149 0.000 3.068 651 T HA 0.261 4.611 4.350 -0.001 0.000 0.364 651 T C 0.033 174.854 174.700 0.202 0.000 1.161 651 T CA -0.856 61.337 62.100 0.155 0.000 1.155 651 T CB 0.187 69.121 68.868 0.110 0.000 1.060 651 T HN 0.101 nan 8.240 nan 0.000 0.513 652 V N 2.870 122.887 119.914 0.171 0.000 2.673 652 V HA 0.434 4.553 4.120 -0.001 0.000 0.303 652 V C 1.432 177.652 176.094 0.209 0.000 1.046 652 V CA -0.384 62.008 62.300 0.152 0.000 1.126 652 V CB 0.013 31.893 31.823 0.095 0.000 0.934 652 V HN 1.130 nan 8.190 nan 0.000 0.487 653 A N 5.199 128.136 122.820 0.195 0.000 2.567 653 A HA 0.312 4.631 4.320 -0.001 0.000 0.240 653 A C 1.106 178.784 177.584 0.157 0.000 1.053 653 A CA 0.228 52.402 52.037 0.228 0.000 0.755 653 A CB -0.653 18.418 19.000 0.118 0.000 0.978 653 A HN 1.278 nan 8.150 nan 0.000 0.507 654 L N -0.291 121.014 121.223 0.136 0.000 4.988 654 L HA -0.323 4.016 4.340 -0.001 0.000 0.439 654 L C 2.070 178.806 176.870 -0.223 0.000 1.080 654 L CA 1.345 56.058 54.840 -0.211 0.000 1.018 654 L CB -1.213 40.835 42.059 -0.019 0.000 1.945 654 L HN 0.965 nan 8.230 nan 0.000 0.782 655 R N 1.098 121.595 120.500 -0.005 0.000 2.120 655 R HA -0.173 4.166 4.340 -0.001 0.000 0.234 655 R C 2.241 178.572 176.300 0.052 0.000 1.123 655 R CA 2.153 58.284 56.100 0.051 0.000 0.975 655 R CB -0.224 30.146 30.300 0.117 0.000 0.866 655 R HN 0.757 nan 8.270 nan 0.000 0.446 656 W N -0.334 121.047 121.300 0.134 0.000 2.338 656 W HA -0.219 4.440 4.660 -0.001 0.000 0.304 656 W C 1.544 178.138 176.519 0.124 0.000 1.212 656 W CA 0.365 57.771 57.345 0.103 0.000 1.264 656 W CB -1.285 28.230 29.460 0.091 0.000 1.142 656 W HN 0.056 nan 8.180 nan 0.000 0.512 657 F N 2.864 122.358 119.950 -0.760 0.000 2.206 657 F HA 0.126 4.652 4.527 -0.001 0.000 0.298 657 F C 2.580 178.188 175.800 -0.320 0.000 1.090 657 F CA 2.193 59.778 58.000 -0.691 0.000 1.323 657 F CB -0.810 37.485 39.000 -1.175 0.000 1.028 657 F HN -0.094 nan 8.300 nan 0.000 0.492 658 A N 0.126 122.782 122.820 -0.275 0.000 1.933 658 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 658 A C 1.907 179.355 177.584 -0.227 0.000 1.175 658 A CA 1.862 53.799 52.037 -0.167 0.000 0.628 658 A CB -0.740 18.332 19.000 0.121 0.000 0.814 658 A HN 0.579 nan 8.150 nan 0.000 0.444 659 E N -1.185 118.938 120.200 -0.129 0.000 2.444 659 E HA 0.320 4.670 4.350 -0.001 0.000 0.191 659 E C 0.813 177.359 176.600 -0.090 0.000 1.041 659 E CA 0.104 56.455 56.400 -0.082 0.000 0.883 659 E CB -0.063 29.636 29.700 -0.002 0.000 1.024 659 E HN 0.665 nan 8.360 nan 0.000 0.470 660 G N 3.025 111.726 108.800 -0.165 0.000 2.283 660 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.280 660 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.280 660 G C 0.203 175.122 174.900 0.033 0.000 1.029 660 G CA 1.065 46.103 45.100 -0.103 0.000 0.840 660 G HN 0.376 nan 8.290 nan 0.000 0.505 661 R N -1.484 119.090 120.500 0.124 0.000 2.943 661 R HA 0.747 5.086 4.340 -0.001 0.000 0.246 661 R C -0.409 176.024 176.300 0.223 0.000 1.201 661 R CA -1.104 55.080 56.100 0.139 0.000 1.056 661 R CB 0.898 31.261 30.300 0.106 0.000 1.243 661 R HN 0.055 nan 8.270 nan 0.000 0.498 662 E N 1.882 122.145 120.200 0.105 0.000 2.452 662 E HA -0.028 4.321 4.350 -0.001 0.000 0.261 662 E C -0.474 176.066 176.600 -0.099 0.000 0.987 662 E CA 0.028 56.430 56.400 0.004 0.000 0.926 662 E CB 0.481 30.148 29.700 -0.055 0.000 0.934 662 E HN 0.252 nan 8.360 nan 0.000 0.452 663 K N 3.344 123.446 120.400 -0.497 0.000 2.511 663 K HA -0.100 4.219 4.320 -0.001 0.000 0.280 663 K C -0.375 175.839 176.600 -0.644 0.000 1.008 663 K CA 0.384 55.888 56.287 -1.305 0.000 1.050 663 K CB 0.370 31.903 32.500 -1.613 0.000 0.889 663 K HN 0.631 nan 8.250 nan 0.000 0.484 664 D N 1.673 121.778 120.400 -0.492 0.000 2.563 664 D HA 0.001 4.640 4.640 -0.001 0.000 0.237 664 D C 0.216 176.422 176.300 -0.157 0.000 1.282 664 D CA -0.343 53.535 54.000 -0.203 0.000 0.816 664 D CB 0.001 40.779 40.800 -0.037 0.000 1.066 664 D HN 0.492 nan 8.370 nan 0.000 0.501 665 T N -2.927 111.486 114.554 -0.234 0.000 2.884 665 T HA 0.528 4.877 4.350 -0.001 0.000 0.277 665 T C -2.079 172.400 174.700 -0.368 0.000 0.976 665 T CA -1.548 60.390 62.100 -0.270 0.000 0.956 665 T CB 1.788 70.534 68.868 -0.202 0.000 1.113 665 T HN -0.348 nan 8.240 nan 0.000 0.554 666 P HA 0.210 nan 4.420 nan 0.000 0.249 666 P C -0.101 177.144 177.300 -0.093 0.000 1.229 666 P CA -0.046 62.847 63.100 -0.346 0.000 0.788 666 P CB -0.131 31.360 31.700 -0.349 0.000 1.072 667 D N -0.941 119.394 120.400 -0.107 0.000 2.478 667 D HA -0.118 4.521 4.640 -0.001 0.000 0.234 667 D C 0.223 176.660 176.300 0.228 0.000 1.154 667 D CA 0.168 54.351 54.000 0.305 0.000 0.874 667 D CB 0.329 41.395 40.800 0.442 0.000 1.198 667 D HN 0.011 nan 8.370 nan 0.000 0.455 668 W N 2.370 123.564 121.300 -0.177 0.000 3.204 668 W HA 0.333 4.992 4.660 -0.001 0.000 0.249 668 W C 0.954 176.938 176.519 -0.892 0.000 1.322 668 W CA -0.009 57.093 57.345 -0.406 0.000 1.593 668 W CB -0.594 28.581 29.460 -0.476 0.000 1.122 668 W HN 0.394 nan 8.180 nan 0.000 0.710 669 G N -0.851 107.260 108.800 -1.148 0.000 2.550 669 G HA2 0.450 4.409 3.960 -0.001 0.000 0.293 669 G HA3 0.450 4.409 3.960 -0.001 0.000 0.293 669 G C -3.054 171.141 174.900 -1.174 0.000 1.402 669 G CA -1.138 42.830 45.100 -1.887 0.000 0.784 669 G HN -0.422 nan 8.290 nan 0.000 0.482 670 P HA 0.283 nan 4.420 nan 0.000 0.274 670 P C -0.382 176.590 177.300 -0.546 0.000 1.246 670 P CA -0.334 62.255 63.100 -0.851 0.000 0.795 670 P CB 1.123 32.704 31.700 -0.198 0.000 1.006 671 R N 0.696 120.974 120.500 -0.370 0.000 2.641 671 R HA 0.172 4.511 4.340 -0.001 0.000 0.269 671 R C 1.864 178.059 176.300 -0.175 0.000 1.074 671 R CA -0.504 55.454 56.100 -0.236 0.000 1.133 671 R CB 0.049 30.267 30.300 -0.137 0.000 1.029 671 R HN 0.467 nan 8.270 nan 0.000 0.488 672 L N 1.907 123.035 121.223 -0.158 0.000 2.021 672 L HA -0.337 4.003 4.340 -0.001 0.000 0.215 672 L C 1.935 178.752 176.870 -0.088 0.000 1.074 672 L CA 2.364 57.128 54.840 -0.127 0.000 0.760 672 L CB -0.731 41.256 42.059 -0.119 0.000 0.889 672 L HN 0.771 nan 8.230 nan 0.000 0.433 673 N N -0.789 117.868 118.700 -0.072 0.000 2.443 673 N HA -0.202 4.537 4.740 -0.001 0.000 0.184 673 N C 1.117 176.607 175.510 -0.033 0.000 1.037 673 N CA 1.325 54.349 53.050 -0.044 0.000 0.896 673 N CB -0.461 38.008 38.487 -0.031 0.000 0.959 673 N HN 0.397 nan 8.380 nan 0.000 0.442 674 N N -0.767 117.908 118.700 -0.042 0.000 2.314 674 N HA 0.105 4.844 4.740 -0.001 0.000 0.200 674 N C -0.629 174.871 175.510 -0.017 0.000 1.135 674 N CA -0.042 52.994 53.050 -0.023 0.000 0.835 674 N CB 0.294 38.771 38.487 -0.017 0.000 0.989 674 N HN 0.361 nan 8.380 nan 0.000 0.478 675 Q N -0.342 119.441 119.800 -0.028 0.000 2.495 675 Q HA 0.472 4.811 4.340 -0.001 0.000 0.287 675 Q C -1.297 174.696 176.000 -0.011 0.000 1.078 675 Q CA -0.883 54.913 55.803 -0.012 0.000 0.793 675 Q CB 2.876 31.592 28.738 -0.036 0.000 1.459 675 Q HN -0.120 nan 8.270 nan 0.000 0.422 676 V N 1.023 120.941 119.914 0.006 0.000 2.334 676 V HA 0.121 4.241 4.120 -0.001 0.000 0.281 676 V C -0.148 175.945 176.094 -0.001 0.000 1.016 676 V CA -0.461 61.840 62.300 0.002 0.000 0.832 676 V CB 0.983 32.813 31.823 0.013 0.000 0.999 676 V HN 1.063 nan 8.190 nan 0.000 0.439 677 C N 5.567 124.856 119.300 -0.019 0.000 4.235 677 C HA -0.149 4.310 4.460 -0.001 0.000 0.301 677 C C 1.430 176.400 174.990 -0.033 0.000 1.409 677 C CA 0.778 59.781 59.018 -0.026 0.000 2.024 677 C CB -2.391 25.341 27.740 -0.013 0.000 1.286 677 C HN 1.192 nan 8.230 nan 0.000 0.746 678 R N -1.784 118.684 120.500 -0.054 0.000 3.387 678 R HA -0.243 4.096 4.340 -0.001 0.000 0.254 678 R C -0.488 175.778 176.300 -0.056 0.000 1.006 678 R CA 1.682 57.727 56.100 -0.092 0.000 0.677 678 R CB -1.760 28.453 30.300 -0.146 0.000 1.063 678 R HN 0.789 nan 8.270 nan 0.000 0.453 679 K N 0.225 120.647 120.400 0.037 0.000 2.375 679 K HA 0.688 5.007 4.320 -0.001 0.000 0.249 679 K C 0.360 177.111 176.600 0.252 0.000 0.942 679 K CA -0.310 56.076 56.287 0.165 0.000 0.806 679 K CB 2.220 34.794 32.500 0.123 0.000 1.227 679 K HN 0.404 nan 8.250 nan 0.000 0.430 680 G N 0.953 110.044 108.800 0.484 0.000 2.795 680 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.664 680 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.664 680 G C -0.624 174.520 174.900 0.408 0.000 1.381 680 G CA -0.956 44.426 45.100 0.470 0.000 0.853 680 G HN 0.397 nan 8.290 nan 0.000 0.545 681 L N 0.066 121.391 121.223 0.169 0.000 2.479 681 L HA 0.374 4.713 4.340 -0.001 0.000 0.249 681 L C 2.244 179.132 176.870 0.029 0.000 1.178 681 L CA 0.088 54.915 54.840 -0.022 0.000 0.811 681 L CB 0.680 42.582 42.059 -0.262 0.000 1.187 681 L HN 0.893 nan 8.230 nan 0.000 0.480 682 Q N 0.267 120.067 119.800 0.001 0.000 2.364 682 Q HA -0.081 4.258 4.340 -0.001 0.000 0.207 682 Q C 0.495 176.508 176.000 0.021 0.000 0.970 682 Q CA 0.815 56.642 55.803 0.041 0.000 0.888 682 Q CB -0.012 28.803 28.738 0.129 0.000 0.951 682 Q HN 0.825 nan 8.270 nan 0.000 0.469 683 T N -2.130 112.433 114.554 0.014 0.000 2.903 683 T HA 0.015 4.364 4.350 -0.001 0.000 0.314 683 T C 1.030 175.745 174.700 0.024 0.000 1.078 683 T CA 0.188 62.305 62.100 0.028 0.000 1.114 683 T CB 1.095 69.994 68.868 0.052 0.000 0.987 683 T HN 0.083 nan 8.240 nan 0.000 0.548 684 T N 2.041 116.605 114.554 0.016 0.000 2.624 684 T HA -0.200 4.150 4.350 -0.001 0.000 0.268 684 T C 2.248 176.941 174.700 -0.011 0.000 1.041 684 T CA 2.421 64.523 62.100 0.003 0.000 1.159 684 T CB -1.035 67.831 68.868 -0.003 0.000 0.863 684 T HN 1.008 nan 8.240 nan 0.000 0.434 685 T N -1.240 113.289 114.554 -0.042 0.000 3.085 685 T HA 0.299 4.648 4.350 -0.001 0.000 0.263 685 T C 1.856 176.578 174.700 0.036 0.000 1.127 685 T CA 1.060 63.131 62.100 -0.049 0.000 1.103 685 T CB -0.369 68.401 68.868 -0.164 0.000 0.921 685 T HN 0.636 nan 8.240 nan 0.000 0.510 686 G N 1.131 109.970 108.800 0.065 0.000 2.184 686 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.264 686 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.264 686 G C 0.032 175.062 174.900 0.217 0.000 0.975 686 G CA 0.542 45.717 45.100 0.125 0.000 0.642 686 G HN 0.697 nan 8.290 nan 0.000 0.536 687 K N -0.766 119.752 120.400 0.197 0.000 2.303 687 K HA 0.698 5.017 4.320 -0.001 0.000 0.233 687 K C 0.121 176.880 176.600 0.266 0.000 1.046 687 K CA -0.976 55.495 56.287 0.306 0.000 0.895 687 K CB 2.020 34.682 32.500 0.271 0.000 1.220 687 K HN -0.004 nan 8.250 nan 0.000 0.470 688 V N 2.437 122.561 119.914 0.349 0.000 2.439 688 V HA 0.027 4.146 4.120 -0.001 0.000 0.271 688 V C -0.276 175.993 176.094 0.291 0.000 1.040 688 V CA 0.075 62.530 62.300 0.258 0.000 1.002 688 V CB 0.285 32.281 31.823 0.289 0.000 1.000 688 V HN 0.595 nan 8.190 nan 0.000 0.477 689 E N 4.769 125.079 120.200 0.183 0.000 2.014 689 E HA 0.232 4.582 4.350 -0.001 0.000 0.275 689 E C -0.094 176.567 176.600 0.101 0.000 0.997 689 E CA -0.267 56.300 56.400 0.279 0.000 0.804 689 E CB 0.605 30.482 29.700 0.295 0.000 1.090 689 E HN 0.604 nan 8.360 nan 0.000 0.401 690 F N 1.498 121.463 119.950 0.025 0.000 2.365 690 F HA 0.007 4.533 4.527 -0.001 0.000 0.300 690 F C 1.013 176.822 175.800 0.015 0.000 1.090 690 F CA 0.698 58.632 58.000 -0.109 0.000 1.408 690 F CB 0.177 39.052 39.000 -0.208 0.000 1.060 690 F HN 0.337 nan 8.300 nan 0.000 0.534 691 I N 0.366 121.067 120.570 0.217 0.000 2.464 691 I HA 0.327 4.496 4.170 -0.001 0.000 0.277 691 I C -0.130 176.113 176.117 0.210 0.000 1.040 691 I CA -0.874 60.528 61.300 0.171 0.000 1.153 691 I CB 0.886 38.955 38.000 0.115 0.000 1.274 691 I HN -0.190 nan 8.210 nan 0.000 0.469 692 A N 3.856 126.774 122.820 0.163 0.000 2.491 692 A HA 0.239 4.558 4.320 -0.001 0.000 0.261 692 A C 1.534 179.222 177.584 0.173 0.000 1.101 692 A CA 0.159 52.298 52.037 0.170 0.000 0.772 692 A CB 0.072 19.157 19.000 0.141 0.000 1.043 692 A HN 0.854 nan 8.150 nan 0.000 0.501 693 T N 0.415 115.081 114.554 0.185 0.000 2.867 693 T HA -0.190 4.159 4.350 -0.001 0.000 0.268 693 T C 1.923 176.700 174.700 0.129 0.000 1.057 693 T CA 1.726 63.918 62.100 0.154 0.000 1.136 693 T CB -0.627 68.305 68.868 0.107 0.000 0.874 693 T HN 1.035 nan 8.240 nan 0.000 0.466 694 S N 2.248 118.029 115.700 0.135 0.000 2.355 694 S HA 0.038 4.507 4.470 -0.001 0.000 0.222 694 S C 2.106 176.772 174.600 0.110 0.000 1.031 694 S CA 0.873 59.154 58.200 0.135 0.000 0.993 694 S CB -0.972 62.352 63.200 0.206 0.000 0.859 694 S HN 0.511 nan 8.310 nan 0.000 0.453 695 L N 1.134 122.395 121.223 0.064 0.000 2.217 695 L HA 0.072 4.411 4.340 -0.001 0.000 0.211 695 L C 2.891 179.848 176.870 0.145 0.000 1.107 695 L CA 1.216 56.078 54.840 0.036 0.000 0.783 695 L CB -0.415 41.605 42.059 -0.064 0.000 0.919 695 L HN 0.374 nan 8.230 nan 0.000 0.442 696 K N 0.612 121.089 120.400 0.130 0.000 2.148 696 K HA -0.142 4.177 4.320 -0.001 0.000 0.204 696 K C 1.661 178.339 176.600 0.131 0.000 1.050 696 K CA 1.248 57.611 56.287 0.126 0.000 0.942 696 K CB 0.028 32.603 32.500 0.125 0.000 0.724 696 K HN 0.425 nan 8.250 nan 0.000 0.446 697 N N -0.331 118.456 118.700 0.145 0.000 2.106 697 N HA -0.150 4.589 4.740 -0.001 0.000 0.188 697 N C 1.683 177.310 175.510 0.194 0.000 1.029 697 N CA 0.840 53.977 53.050 0.144 0.000 0.848 697 N CB -0.144 38.425 38.487 0.136 0.000 1.007 697 N HN 0.054 nan 8.380 nan 0.000 0.423 698 F N 2.761 122.725 119.950 0.024 0.000 2.091 698 F HA -0.203 4.323 4.527 -0.001 0.000 0.299 698 F C 2.321 178.172 175.800 0.084 0.000 1.103 698 F CA 1.566 59.570 58.000 0.006 0.000 1.228 698 F CB -0.387 38.563 39.000 -0.083 0.000 0.984 698 F HN 0.141 nan 8.300 nan 0.000 0.477 699 E N -0.599 119.668 120.200 0.113 0.000 2.150 699 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 699 E C 1.724 178.318 176.600 -0.009 0.000 0.985 699 E CA 1.477 57.882 56.400 0.008 0.000 0.814 699 E CB -0.766 28.973 29.700 0.064 0.000 0.752 699 E HN 0.561 nan 8.360 nan 0.000 0.466 700 E N 0.785 121.005 120.200 0.032 0.000 2.427 700 E HA -0.093 4.257 4.350 -0.001 0.000 0.196 700 E C 1.662 178.261 176.600 -0.002 0.000 1.028 700 E CA 0.384 56.795 56.400 0.018 0.000 0.864 700 E CB 0.060 29.785 29.700 0.042 0.000 0.813 700 E HN 0.377 nan 8.360 nan 0.000 0.514 701 Q N -0.752 119.052 119.800 0.007 0.000 2.403 701 Q HA 0.069 4.408 4.340 -0.001 0.000 0.203 701 Q C 1.046 176.953 176.000 -0.156 0.000 0.932 701 Q CA 0.477 56.281 55.803 0.002 0.000 0.945 701 Q CB 0.886 29.709 28.738 0.141 0.000 1.045 701 Q HN 0.387 nan 8.270 nan 0.000 0.511 702 G N -0.179 108.496 108.800 -0.209 0.000 2.211 702 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.201 702 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.201 702 G C -0.320 174.293 174.900 -0.479 0.000 0.997 702 G CA -0.588 44.310 45.100 -0.337 0.000 0.652 702 G HN 0.319 nan 8.290 nan 0.000 0.500 703 Y N 2.546 122.529 120.300 -0.527 0.000 2.570 703 Y HA 0.442 4.991 4.550 -0.001 0.000 0.336 703 Y C 1.064 176.743 175.900 -0.368 0.000 1.284 703 Y CA -0.930 56.713 58.100 -0.761 0.000 1.761 703 Y CB -0.034 37.174 38.460 -2.087 0.000 1.724 703 Y HN 0.067 nan 8.280 nan 0.000 0.455 704 I N 2.496 123.074 120.570 0.012 0.000 2.556 704 I HA 0.028 4.197 4.170 -0.001 0.000 0.284 704 I C 0.147 176.419 176.117 0.259 0.000 1.114 704 I CA 0.121 61.481 61.300 0.100 0.000 1.418 704 I CB 0.638 38.667 38.000 0.047 0.000 1.394 704 I HN 0.461 nan 8.210 nan 0.000 0.552 705 D N 5.356 125.903 120.400 0.246 0.000 2.323 705 D HA 0.079 4.718 4.640 -0.001 0.000 0.242 705 D C 0.797 177.211 176.300 0.190 0.000 1.347 705 D CA -0.339 53.831 54.000 0.283 0.000 0.988 705 D CB 0.878 41.960 40.800 0.470 0.000 1.314 705 D HN 0.645 nan 8.370 nan 0.000 0.564 706 E N 1.537 121.820 120.200 0.139 0.000 2.130 706 E HA -0.246 4.104 4.350 -0.001 0.000 0.196 706 E C 0.263 176.820 176.600 -0.072 0.000 0.998 706 E CA 1.271 57.686 56.400 0.026 0.000 0.806 706 E CB 0.153 29.853 29.700 0.000 0.000 0.738 706 E HN 0.509 nan 8.360 nan 0.000 0.459 707 H N -1.016 118.127 119.070 0.121 0.000 2.555 707 H HA 0.249 4.805 4.556 -0.001 0.000 0.283 707 H C 0.135 175.553 175.328 0.151 0.000 1.037 707 H CA 0.299 56.438 56.048 0.153 0.000 1.169 707 H CB 0.324 30.218 29.762 0.220 0.000 1.375 707 H HN -0.110 nan 8.280 nan 0.000 0.582 708 R N 1.390 122.009 120.500 0.199 0.000 2.734 708 R HA 0.140 4.479 4.340 -0.001 0.000 0.242 708 R C -3.176 173.205 176.300 0.135 0.000 1.617 708 R CA -1.439 54.766 56.100 0.175 0.000 1.572 708 R CB 0.653 31.081 30.300 0.213 0.000 1.477 708 R HN 0.121 nan 8.270 nan 0.000 0.707 709 P HA 0.053 nan 4.420 nan 0.000 0.272 709 P C 0.643 177.988 177.300 0.075 0.000 1.223 709 P CA 0.015 63.158 63.100 0.071 0.000 0.784 709 P CB 1.400 33.116 31.700 0.026 0.000 0.923 710 S N 2.032 117.777 115.700 0.075 0.000 2.382 710 S HA -0.114 4.355 4.470 -0.001 0.000 0.228 710 S C 1.162 175.819 174.600 0.096 0.000 1.027 710 S CA 0.662 58.911 58.200 0.081 0.000 0.991 710 S CB -0.536 62.719 63.200 0.093 0.000 0.823 710 S HN 0.602 nan 8.310 nan 0.000 0.469 711 M N 2.596 122.251 119.600 0.093 0.000 2.157 711 M HA 0.278 4.757 4.480 -0.001 0.000 0.354 711 M C -0.413 175.995 176.300 0.180 0.000 1.170 711 M CA -0.653 54.732 55.300 0.142 0.000 1.060 711 M CB 0.804 33.468 32.600 0.107 0.000 1.615 711 M HN 0.349 nan 8.290 nan 0.000 0.460 712 H N 4.370 123.544 119.070 0.172 0.000 3.145 712 H HA 0.237 4.792 4.556 -0.001 0.000 0.288 712 H C -0.887 174.753 175.328 0.521 0.000 0.969 712 H CA 1.079 57.282 56.048 0.257 0.000 1.444 712 H CB 0.214 30.035 29.762 0.100 0.000 1.500 712 H HN 0.757 nan 8.280 nan 0.000 0.552 713 T N 1.623 116.229 114.554 0.087 0.000 2.812 713 T HA 0.156 4.505 4.350 -0.001 0.000 0.294 713 T C -0.816 173.986 174.700 0.171 0.000 1.159 713 T CA -1.011 61.010 62.100 -0.131 0.000 1.008 713 T CB 0.453 68.961 68.868 -0.601 0.000 1.289 713 T HN 0.460 nan 8.240 nan 0.000 0.514 714 Y N 1.842 122.104 120.300 -0.063 0.000 2.568 714 Y HA 0.500 5.049 4.550 -0.001 0.000 0.338 714 Y C -0.331 175.677 175.900 0.179 0.000 1.245 714 Y CA -0.934 57.246 58.100 0.134 0.000 1.667 714 Y CB -0.645 37.778 38.460 -0.060 0.000 1.568 714 Y HN 0.513 nan 8.280 nan 0.000 0.471 715 V N 8.239 128.124 119.914 -0.048 0.000 2.455 715 V HA 0.183 4.302 4.120 -0.001 0.000 0.273 715 V C -1.947 174.014 176.094 -0.220 0.000 1.045 715 V CA -1.803 60.434 62.300 -0.104 0.000 0.976 715 V CB 0.640 32.454 31.823 -0.016 0.000 0.993 715 V HN 0.601 nan 8.190 nan 0.000 0.475 716 P HA 0.169 nan 4.420 nan 0.000 0.268 716 P C -0.261 177.011 177.300 -0.047 0.000 1.204 716 P CA -0.018 62.834 63.100 -0.414 0.000 0.768 716 P CB 0.540 31.772 31.700 -0.780 0.000 0.842 717 A N 4.837 127.681 122.820 0.041 0.000 2.524 717 A HA 0.007 4.326 4.320 -0.001 0.000 0.250 717 A C 1.307 178.953 177.584 0.104 0.000 1.078 717 A CA -0.434 51.613 52.037 0.016 0.000 0.761 717 A CB -0.432 18.538 19.000 -0.050 0.000 1.012 717 A HN 0.834 nan 8.150 nan 0.000 0.500 718 W N 1.673 123.053 121.300 0.133 0.000 2.611 718 W HA 0.027 4.686 4.660 -0.001 0.000 0.251 718 W C 0.189 176.755 176.519 0.079 0.000 1.265 718 W CA 0.715 58.116 57.345 0.092 0.000 1.295 718 W CB -0.206 29.223 29.460 -0.052 0.000 1.129 718 W HN 0.748 nan 8.180 nan 0.000 0.630 719 E N 2.160 122.404 120.200 0.073 0.000 3.037 719 E HA 0.228 4.577 4.350 -0.001 0.000 0.220 719 E C -0.669 175.924 176.600 -0.012 0.000 1.142 719 E CA -0.179 56.275 56.400 0.090 0.000 0.888 719 E CB 0.464 30.175 29.700 0.019 0.000 1.329 719 E HN 0.052 nan 8.360 nan 0.000 0.409 720 S N 1.359 117.099 115.700 0.067 0.000 2.627 720 S HA 0.265 4.734 4.470 -0.001 0.000 0.283 720 S C 0.844 175.460 174.600 0.026 0.000 1.127 720 S CA -0.794 57.427 58.200 0.035 0.000 0.863 720 S CB 1.651 64.916 63.200 0.108 0.000 1.121 720 S HN 0.375 nan 8.310 nan 0.000 0.479 721 Q N 0.700 120.487 119.800 -0.023 0.000 2.167 721 Q HA -0.089 4.251 4.340 -0.001 0.000 0.202 721 Q C 1.620 177.564 176.000 -0.092 0.000 0.970 721 Q CA 1.579 57.356 55.803 -0.043 0.000 0.855 721 Q CB -0.313 28.393 28.738 -0.052 0.000 0.911 721 Q HN 0.859 nan 8.270 nan 0.000 0.438 722 K N -1.255 119.019 120.400 -0.209 0.000 2.358 722 K HA 0.067 4.387 4.320 -0.001 0.000 0.197 722 K C 0.726 177.082 176.600 -0.407 0.000 1.025 722 K CA 0.302 56.388 56.287 -0.334 0.000 1.104 722 K CB 0.497 32.729 32.500 -0.445 0.000 0.855 722 K HN 0.161 nan 8.250 nan 0.000 0.531 723 H N -0.121 118.988 119.070 0.065 0.000 2.893 723 H HA 0.194 4.749 4.556 -0.001 0.000 0.270 723 H C -0.352 175.043 175.328 0.113 0.000 1.095 723 H CA -0.189 55.917 56.048 0.096 0.000 1.186 723 H CB 1.174 31.008 29.762 0.121 0.000 1.562 723 H HN 0.095 nan 8.280 nan 0.000 0.536 724 S N 1.580 117.381 115.700 0.168 0.000 2.449 724 S HA 0.284 4.754 4.470 -0.001 0.000 0.310 724 S C -1.826 172.836 174.600 0.103 0.000 1.096 724 S CA -1.516 56.780 58.200 0.160 0.000 1.095 724 S CB 1.661 64.966 63.200 0.176 0.000 1.007 724 S HN -0.125 nan 8.310 nan 0.000 0.474 725 P HA -0.066 nan 4.420 nan 0.000 0.221 725 P C 1.161 178.486 177.300 0.042 0.000 1.145 725 P CA 0.481 63.616 63.100 0.058 0.000 0.795 725 P CB 0.145 31.879 31.700 0.058 0.000 0.775 726 L N -0.609 120.662 121.223 0.080 0.000 2.191 726 L HA -0.070 4.269 4.340 -0.001 0.000 0.212 726 L C 2.298 179.196 176.870 0.048 0.000 1.103 726 L CA 1.368 56.268 54.840 0.100 0.000 0.769 726 L CB -1.887 40.298 42.059 0.211 0.000 0.908 726 L HN -0.066 nan 8.230 nan 0.000 0.438 727 A N -1.111 121.734 122.820 0.043 0.000 2.076 727 A HA -0.144 4.175 4.320 -0.001 0.000 0.220 727 A C 2.369 179.927 177.584 -0.044 0.000 1.160 727 A CA 1.584 53.629 52.037 0.014 0.000 0.653 727 A CB -0.672 18.330 19.000 0.004 0.000 0.801 727 A HN 0.237 nan 8.150 nan 0.000 0.455 728 V N -0.076 119.796 119.914 -0.071 0.000 2.295 728 V HA -0.276 3.843 4.120 -0.001 0.000 0.246 728 V C 2.411 178.403 176.094 -0.169 0.000 1.049 728 V CA 2.446 64.689 62.300 -0.095 0.000 1.024 728 V CB -0.590 31.185 31.823 -0.079 0.000 0.648 728 V HN 0.569 nan 8.190 nan 0.000 0.447 729 K N -1.229 118.968 120.400 -0.337 0.000 2.186 729 K HA 0.021 4.340 4.320 -0.001 0.000 0.202 729 K C -0.061 176.138 176.600 -0.668 0.000 1.052 729 K CA 0.744 56.661 56.287 -0.617 0.000 0.965 729 K CB 0.143 31.968 32.500 -1.124 0.000 0.746 729 K HN 0.482 nan 8.250 nan 0.000 0.457 730 Y N 0.758 121.029 120.300 -0.048 0.000 2.787 730 Y HA 0.215 4.765 4.550 -0.001 0.000 0.352 730 Y C -2.043 173.815 175.900 -0.071 0.000 1.027 730 Y CA -3.112 54.928 58.100 -0.100 0.000 1.219 730 Y CB 0.783 39.178 38.460 -0.109 0.000 1.110 730 Y HN -0.007 nan 8.280 nan 0.000 0.614 731 P HA -0.072 nan 4.420 nan 0.000 0.229 731 P C 0.043 177.345 177.300 0.002 0.000 1.160 731 P CA 0.884 63.986 63.100 0.004 0.000 0.777 731 P CB 0.920 32.612 31.700 -0.014 0.000 0.814 732 L N 0.303 121.528 121.223 0.004 0.000 2.292 732 L HA 0.455 4.794 4.340 -0.001 0.000 0.284 732 L C 1.072 177.934 176.870 -0.014 0.000 1.065 732 L CA -0.763 54.070 54.840 -0.011 0.000 0.806 732 L CB 1.080 43.126 42.059 -0.022 0.000 1.175 732 L HN -0.107 nan 8.230 nan 0.000 0.431 733 G N 4.207 112.998 108.800 -0.016 0.000 2.320 733 G HA2 0.487 4.447 3.960 -0.001 0.000 0.300 733 G HA3 0.487 4.447 3.960 -0.001 0.000 0.300 733 G C -0.624 174.262 174.900 -0.022 0.000 1.126 733 G CA -0.455 44.633 45.100 -0.020 0.000 0.896 733 G HN 0.570 nan 8.290 nan 0.000 0.436 734 M N 3.906 123.484 119.600 -0.035 0.000 2.294 734 M HA 0.674 5.153 4.480 -0.001 0.000 0.335 734 M C -0.879 175.392 176.300 -0.048 0.000 1.079 734 M CA -1.017 54.256 55.300 -0.045 0.000 0.982 734 M CB 1.664 34.225 32.600 -0.064 0.000 1.651 734 M HN 0.479 nan 8.290 nan 0.000 0.437 735 L N 2.932 124.122 121.223 -0.054 0.000 2.346 735 L HA 0.858 5.197 4.340 -0.001 0.000 0.274 735 L C -0.877 175.893 176.870 -0.168 0.000 1.007 735 L CA -0.541 54.267 54.840 -0.053 0.000 0.818 735 L CB 2.135 44.208 42.059 0.022 0.000 1.284 735 L HN 0.784 nan 8.230 nan 0.000 0.424 736 S N 1.109 116.741 115.700 -0.113 0.000 2.204 736 S HA 0.556 5.025 4.470 -0.001 0.000 0.147 736 S C -2.634 171.994 174.600 0.046 0.000 1.711 736 S CA -1.049 57.076 58.200 -0.124 0.000 1.274 736 S CB 0.388 63.555 63.200 -0.054 0.000 1.257 736 S HN 0.556 nan 8.310 nan 0.000 0.404 737 P HA 0.172 nan 4.420 nan 0.000 0.288 737 P C -0.121 177.475 177.300 0.493 0.000 1.291 737 P CA -0.356 62.937 63.100 0.321 0.000 0.766 737 P CB 0.244 32.158 31.700 0.358 0.000 1.242 738 H N 0.117 119.269 119.070 0.136 0.000 2.652 738 H HA 0.138 4.693 4.556 -0.001 0.000 0.349 738 H C -1.684 173.457 175.328 -0.312 0.000 1.099 738 H CA -1.893 54.125 56.048 -0.049 0.000 1.417 738 H CB -0.155 29.483 29.762 -0.207 0.000 1.457 738 H HN 0.338 nan 8.280 nan 0.000 0.568 739 P HA -0.076 nan 4.420 nan 0.000 0.263 739 P C 0.577 177.480 177.300 -0.661 0.000 1.195 739 P CA -0.019 62.764 63.100 -0.530 0.000 0.762 739 P CB 1.096 32.800 31.700 0.007 0.000 0.799 740 R N 4.230 124.109 120.500 -1.035 0.000 2.073 740 R HA -0.079 4.261 4.340 -0.001 0.000 0.234 740 R C 1.032 176.907 176.300 -0.709 0.000 1.134 740 R CA 1.846 57.443 56.100 -0.839 0.000 0.952 740 R CB -1.093 28.592 30.300 -1.024 0.000 0.850 740 R HN 0.451 nan 8.270 nan 0.000 0.433 741 F N -0.235 119.663 119.950 -0.086 0.000 2.730 741 F HA 0.446 4.972 4.527 -0.001 0.000 0.295 741 F C 0.055 175.834 175.800 -0.035 0.000 1.143 741 F CA -0.276 57.686 58.000 -0.065 0.000 1.367 741 F CB 0.511 39.374 39.000 -0.228 0.000 0.970 741 F HN -0.071 nan 8.300 nan 0.000 0.514 742 S N 0.649 116.385 115.700 0.060 0.000 2.537 742 S HA 0.431 4.901 4.470 -0.001 0.000 0.271 742 S C -1.082 173.143 174.600 -0.624 0.000 1.148 742 S CA -0.694 57.396 58.200 -0.184 0.000 0.868 742 S CB 1.208 64.384 63.200 -0.040 0.000 1.115 742 S HN 0.032 nan 8.310 nan 0.000 0.461 743 M N 5.534 124.539 119.600 -0.991 0.000 2.664 743 M HA 0.321 4.800 4.480 -0.001 0.000 0.332 743 M C 0.336 176.417 176.300 -0.365 0.000 1.354 743 M CA 0.774 55.569 55.300 -0.843 0.000 1.399 743 M CB -1.774 30.375 32.600 -0.751 0.000 1.224 743 M HN 0.947 nan 8.290 nan 0.000 0.479 744 H N 0.283 119.201 119.070 -0.253 0.000 1.452 744 H HA -0.255 4.300 4.556 -0.001 0.000 0.090 744 H C 1.216 176.469 175.328 -0.126 0.000 0.973 744 H CA 2.411 58.355 56.048 -0.174 0.000 1.901 744 H CB -1.415 28.264 29.762 -0.138 0.000 2.257 744 H HN 0.619 nan 8.280 nan 0.000 0.961 745 T N 0.185 114.765 114.554 0.044 0.000 3.072 745 T HA 0.098 4.447 4.350 -0.001 0.000 0.266 745 T C 1.354 175.979 174.700 -0.125 0.000 1.127 745 T CA 1.151 63.221 62.100 -0.050 0.000 1.107 745 T CB -0.166 68.657 68.868 -0.075 0.000 0.910 745 T HN 0.282 nan 8.240 nan 0.000 0.513 746 M N 2.043 121.576 119.600 -0.110 0.000 3.011 746 M HA 0.472 4.951 4.480 -0.001 0.000 0.292 746 M C 1.285 177.458 176.300 -0.210 0.000 1.440 746 M CA 0.123 55.315 55.300 -0.180 0.000 1.552 746 M CB 0.194 32.797 32.600 0.004 0.000 1.187 746 M HN 0.555 nan 8.290 nan 0.000 0.520 747 G N 0.828 109.463 108.800 -0.275 0.000 4.205 747 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.200 747 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.200 747 G C -0.264 174.526 174.900 -0.184 0.000 1.190 747 G CA -0.610 44.375 45.100 -0.192 0.000 0.861 747 G HN 0.528 nan 8.290 nan 0.000 0.326 748 D N 0.950 121.313 120.400 -0.063 0.000 2.361 748 D HA 0.486 5.125 4.640 -0.001 0.000 0.239 748 D C 1.372 177.633 176.300 -0.063 0.000 1.200 748 D CA 2.087 56.163 54.000 0.126 0.000 0.915 748 D CB 0.524 41.540 40.800 0.359 0.000 1.170 748 D HN 1.397 nan 8.370 nan 0.000 0.444 749 G N 1.797 110.584 108.800 -0.023 0.000 2.578 749 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.275 749 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.275 749 G C 0.082 174.853 174.900 -0.215 0.000 1.271 749 G CA 0.497 45.522 45.100 -0.125 0.000 0.941 749 G HN 0.935 nan 8.290 nan 0.000 0.564 750 K N -1.060 119.216 120.400 -0.206 0.000 3.193 750 K HA -0.354 3.965 4.320 -0.001 0.000 0.294 750 K C 0.741 177.248 176.600 -0.155 0.000 1.185 750 K CA 1.386 57.542 56.287 -0.218 0.000 0.866 750 K CB -1.642 30.530 32.500 -0.546 0.000 1.227 750 K HN 2.026 nan 8.250 nan 0.000 0.467 751 N N 0.114 118.730 118.700 -0.138 0.000 2.725 751 N HA -0.198 4.541 4.740 -0.001 0.000 0.249 751 N C -0.117 175.309 175.510 -0.140 0.000 1.103 751 N CA 1.148 54.130 53.050 -0.114 0.000 0.707 751 N CB -0.814 37.655 38.487 -0.030 0.000 1.043 751 N HN 0.652 nan 8.380 nan 0.000 0.553 752 S N -1.354 114.213 115.700 -0.222 0.000 2.617 752 S HA 0.234 4.703 4.470 -0.001 0.000 0.259 752 S C 1.243 175.778 174.600 -0.108 0.000 1.301 752 S CA -0.231 57.802 58.200 -0.279 0.000 0.984 752 S CB 0.391 63.402 63.200 -0.315 0.000 0.954 752 S HN 0.180 nan 8.310 nan 0.000 0.572 753 Y N -0.019 120.280 120.300 -0.003 0.000 2.439 753 Y HA 0.080 4.629 4.550 -0.001 0.000 0.292 753 Y C 2.251 178.163 175.900 0.021 0.000 1.130 753 Y CA 0.262 58.442 58.100 0.133 0.000 1.254 753 Y CB -1.152 37.365 38.460 0.095 0.000 1.000 753 Y HN 0.466 nan 8.280 nan 0.000 0.554 754 M N 0.022 119.636 119.600 0.023 0.000 2.358 754 M HA -0.172 4.308 4.480 -0.001 0.000 0.264 754 M C 1.473 177.657 176.300 -0.194 0.000 1.064 754 M CA 1.095 56.311 55.300 -0.141 0.000 1.093 754 M CB -0.645 31.813 32.600 -0.237 0.000 1.401 754 M HN 0.170 nan 8.290 nan 0.000 0.440 755 N N -0.948 117.636 118.700 -0.194 0.000 2.520 755 N HA -0.100 4.639 4.740 -0.001 0.000 0.185 755 N C 0.759 176.066 175.510 -0.339 0.000 1.068 755 N CA 1.057 53.979 53.050 -0.213 0.000 0.911 755 N CB -0.055 38.189 38.487 -0.405 0.000 0.961 755 N HN 0.519 nan 8.380 nan 0.000 0.446 756 Y N 0.510 120.803 120.300 -0.013 0.000 2.457 756 Y HA 0.312 4.861 4.550 -0.001 0.000 0.263 756 Y C 0.893 176.732 175.900 -0.101 0.000 1.164 756 Y CA -0.423 57.651 58.100 -0.043 0.000 1.274 756 Y CB 0.321 38.759 38.460 -0.038 0.000 1.097 756 Y HN -0.123 nan 8.280 nan 0.000 0.523 757 I N 1.622 122.145 120.570 -0.078 0.000 2.517 757 I HA -0.078 4.091 4.170 -0.001 0.000 0.285 757 I C 1.136 177.134 176.117 -0.199 0.000 1.106 757 I CA 0.229 61.371 61.300 -0.264 0.000 1.402 757 I CB 1.154 38.747 38.000 -0.678 0.000 1.399 757 I HN 0.265 nan 8.210 nan 0.000 0.535 758 K N 3.352 123.662 120.400 -0.150 0.000 2.059 758 K HA -0.242 4.077 4.320 -0.001 0.000 0.212 758 K C 0.970 177.538 176.600 -0.053 0.000 1.050 758 K CA 1.760 58.002 56.287 -0.075 0.000 0.927 758 K CB -0.093 32.376 32.500 -0.051 0.000 0.714 758 K HN 0.572 nan 8.250 nan 0.000 0.447 759 D N -0.795 119.570 120.400 -0.058 0.000 2.370 759 D HA -0.022 4.617 4.640 -0.001 0.000 0.230 759 D C 0.954 177.388 176.300 0.223 0.000 1.143 759 D CA 0.245 54.315 54.000 0.118 0.000 0.834 759 D CB 0.234 41.214 40.800 0.299 0.000 0.944 759 D HN 0.235 nan 8.370 nan 0.000 0.504 760 H N -0.651 118.359 119.070 -0.100 0.000 2.367 760 H HA 0.439 4.994 4.556 -0.001 0.000 0.304 760 H C 0.038 175.243 175.328 -0.204 0.000 1.023 760 H CA 0.672 56.669 56.048 -0.086 0.000 1.342 760 H CB 0.601 30.267 29.762 -0.161 0.000 1.486 760 H HN -0.174 nan 8.280 nan 0.000 0.596 761 R N -0.226 120.162 120.500 -0.187 0.000 2.774 761 R HA 0.554 4.893 4.340 -0.001 0.000 0.272 761 R C -1.674 174.595 176.300 -0.051 0.000 1.000 761 R CA -1.037 54.957 56.100 -0.177 0.000 0.906 761 R CB 3.166 33.369 30.300 -0.161 0.000 1.227 761 R HN -0.029 nan 8.270 nan 0.000 0.468 762 V N 1.481 121.407 119.914 0.019 0.000 2.407 762 V HA 0.220 4.340 4.120 -0.001 0.000 0.291 762 V C -0.245 175.937 176.094 0.147 0.000 1.018 762 V CA -0.732 61.608 62.300 0.068 0.000 0.842 762 V CB 1.502 33.365 31.823 0.066 0.000 0.996 762 V HN 0.709 nan 8.190 nan 0.000 0.426 763 E N 3.807 124.078 120.200 0.118 0.000 2.316 763 E HA 0.468 4.817 4.350 -0.001 0.000 0.275 763 E C -1.334 175.393 176.600 0.212 0.000 1.029 763 E CA -0.180 56.315 56.400 0.158 0.000 0.871 763 E CB 1.259 31.024 29.700 0.110 0.000 1.022 763 E HN 0.494 nan 8.360 nan 0.000 0.418 764 V N 5.405 125.522 119.914 0.337 0.000 2.488 764 V HA 0.116 4.236 4.120 -0.001 0.000 0.293 764 V C -0.801 175.494 176.094 0.336 0.000 1.027 764 V CA -0.782 61.693 62.300 0.291 0.000 0.862 764 V CB 1.706 33.661 31.823 0.220 0.000 1.008 764 V HN 0.922 nan 8.190 nan 0.000 0.428 765 D N 4.190 124.717 120.400 0.212 0.000 2.723 765 D HA -0.188 4.452 4.640 -0.001 0.000 0.236 765 D C 1.290 177.713 176.300 0.206 0.000 1.138 765 D CA 1.724 55.836 54.000 0.186 0.000 0.676 765 D CB -1.026 39.885 40.800 0.185 0.000 1.069 765 D HN 1.500 nan 8.370 nan 0.000 0.430 766 G N -0.639 108.273 108.800 0.186 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 -0.083 174.933 174.900 0.194 0.000 0.977 766 G CA 0.515 45.714 45.100 0.164 0.000 0.641 766 G HN 0.574 nan 8.290 nan 0.000 0.533 767 Y N 1.064 121.412 120.300 0.081 0.000 2.391 767 Y HA 0.596 5.145 4.550 -0.001 0.000 0.341 767 Y C 0.036 175.875 175.900 -0.103 0.000 0.965 767 Y CA -1.188 56.864 58.100 -0.080 0.000 1.067 767 Y CB 1.256 39.578 38.460 -0.230 0.000 1.199 767 Y HN 0.031 nan 8.280 nan 0.000 0.450 768 K N 6.577 126.659 120.400 -0.531 0.000 2.273 768 K HA 0.187 4.507 4.320 -0.001 0.000 0.287 768 K C -1.448 174.956 176.600 -0.326 0.000 1.089 768 K CA -0.227 55.884 56.287 -0.292 0.000 0.909 768 K CB 0.419 32.743 32.500 -0.293 0.000 1.123 768 K HN 0.513 nan 8.250 nan 0.000 0.473 769 Y N 1.279 121.608 120.300 0.048 0.000 2.307 769 Y HA 0.111 4.660 4.550 -0.001 0.000 0.324 769 Y C 0.633 176.598 175.900 0.108 0.000 1.238 769 Y CA -0.725 57.465 58.100 0.150 0.000 1.280 769 Y CB 0.616 39.184 38.460 0.180 0.000 1.248 769 Y HN 0.538 nan 8.280 nan 0.000 0.508 770 W N 3.986 125.347 121.300 0.102 0.000 2.150 770 W HA 0.367 5.027 4.660 -0.001 0.000 0.341 770 W C -1.040 175.499 176.519 0.033 0.000 1.276 770 W CA -0.612 56.730 57.345 -0.005 0.000 1.238 770 W CB 0.544 29.994 29.460 -0.015 0.000 1.128 770 W HN 0.405 nan 8.180 nan 0.000 0.581 771 I N 6.192 126.539 120.570 -0.371 0.000 2.385 771 I HA 0.265 4.435 4.170 -0.001 0.000 0.294 771 I C 0.248 176.297 176.117 -0.113 0.000 0.988 771 I CA -0.619 60.558 61.300 -0.205 0.000 1.265 771 I CB 1.597 39.449 38.000 -0.247 0.000 1.388 771 I HN 0.250 nan 8.210 nan 0.000 0.480 772 M N 6.316 125.901 119.600 -0.025 0.000 2.197 772 M HA 0.468 4.947 4.480 -0.001 0.000 0.301 772 M C -1.177 175.103 176.300 -0.035 0.000 0.987 772 M CA -0.509 54.785 55.300 -0.009 0.000 0.921 772 M CB 1.388 34.002 32.600 0.025 0.000 1.569 772 M HN 0.495 nan 8.290 nan 0.000 0.431 773 R N 3.299 123.765 120.500 -0.056 0.000 2.308 773 R HA 0.635 4.974 4.340 -0.001 0.000 0.305 773 R C -1.228 175.045 176.300 -0.044 0.000 1.053 773 R CA -0.596 55.456 56.100 -0.080 0.000 0.957 773 R CB 1.280 31.464 30.300 -0.193 0.000 1.022 773 R HN 0.498 nan 8.270 nan 0.000 0.461 774 V N 3.051 122.950 119.914 -0.026 0.000 2.638 774 V HA 0.160 4.279 4.120 -0.001 0.000 0.306 774 V C 0.003 176.099 176.094 0.004 0.000 1.052 774 V CA -1.159 61.137 62.300 -0.006 0.000 0.885 774 V CB 1.809 33.632 31.823 0.001 0.000 0.999 774 V HN 0.754 nan 8.190 nan 0.000 0.424 775 N N 2.478 121.188 118.700 0.017 0.000 2.458 775 N HA -0.037 4.703 4.740 -0.001 0.000 0.258 775 N C 1.579 177.102 175.510 0.021 0.000 1.219 775 N CA 0.773 53.840 53.050 0.028 0.000 0.902 775 N CB 1.545 40.055 38.487 0.038 0.000 1.076 775 N HN 0.891 nan 8.380 nan 0.000 0.455 776 S N 4.638 120.351 115.700 0.022 0.000 2.380 776 S HA -0.221 4.248 4.470 -0.001 0.000 0.229 776 S C 2.014 176.623 174.600 0.015 0.000 1.043 776 S CA 1.107 59.317 58.200 0.017 0.000 1.038 776 S CB -0.470 62.740 63.200 0.018 0.000 0.872 776 S HN 0.683 nan 8.310 nan 0.000 0.456 777 I N 2.432 123.011 120.570 0.016 0.000 2.226 777 I HA -0.172 3.997 4.170 -0.001 0.000 0.245 777 I C 2.262 178.386 176.117 0.011 0.000 1.100 777 I CA 1.703 63.010 61.300 0.011 0.000 1.374 777 I CB -0.517 37.488 38.000 0.008 0.000 1.057 777 I HN 0.295 nan 8.210 nan 0.000 0.413 778 D N 1.136 121.542 120.400 0.011 0.000 2.144 778 D HA -0.116 4.523 4.640 -0.001 0.000 0.200 778 D C 2.263 178.572 176.300 0.015 0.000 0.978 778 D CA 1.485 55.491 54.000 0.011 0.000 0.833 778 D CB -0.114 40.692 40.800 0.009 0.000 0.961 778 D HN 0.349 nan 8.370 nan 0.000 0.470 779 A N 1.524 124.353 122.820 0.015 0.000 1.858 779 A HA -0.205 4.115 4.320 -0.001 0.000 0.216 779 A C 2.153 179.749 177.584 0.019 0.000 1.190 779 A CA 1.508 53.556 52.037 0.018 0.000 0.617 779 A CB -0.492 18.517 19.000 0.016 0.000 0.827 779 A HN 0.071 nan 8.150 nan 0.000 0.443 780 E N 0.577 120.787 120.200 0.016 0.000 2.070 780 E HA -0.204 4.145 4.350 -0.001 0.000 0.197 780 E C 2.115 178.724 176.600 0.017 0.000 1.004 780 E CA 1.525 57.935 56.400 0.015 0.000 0.805 780 E CB -0.431 29.276 29.700 0.012 0.000 0.744 780 E HN 0.459 nan 8.360 nan 0.000 0.451 781 A N 0.747 123.577 122.820 0.016 0.000 2.125 781 A HA -0.124 4.195 4.320 -0.001 0.000 0.219 781 A C 2.016 179.614 177.584 0.023 0.000 1.156 781 A CA 1.257 53.304 52.037 0.017 0.000 0.671 781 A CB -0.291 18.717 19.000 0.013 0.000 0.794 781 A HN 0.189 nan 8.150 nan 0.000 0.459 782 R N -1.926 118.591 120.500 0.028 0.000 2.437 782 R HA 0.284 4.623 4.340 -0.001 0.000 0.257 782 R C 1.012 177.335 176.300 0.038 0.000 0.927 782 R CA 0.430 56.553 56.100 0.038 0.000 1.078 782 R CB 0.292 30.619 30.300 0.046 0.000 1.161 782 R HN 0.562 nan 8.270 nan 0.000 0.529 783 G N 1.947 110.765 108.800 0.030 0.000 2.198 783 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.260 783 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.260 783 G C 0.070 174.988 174.900 0.030 0.000 1.025 783 G CA 0.050 45.166 45.100 0.027 0.000 0.769 783 G HN 0.254 nan 8.290 nan 0.000 0.507 784 I N -0.025 120.563 120.570 0.030 0.000 2.353 784 I HA 0.418 4.587 4.170 -0.001 0.000 0.293 784 I C 0.539 176.669 176.117 0.022 0.000 0.992 784 I CA -0.421 60.897 61.300 0.030 0.000 1.268 784 I CB 1.398 39.418 38.000 0.033 0.000 1.387 784 I HN -0.020 nan 8.210 nan 0.000 0.478 785 K N 4.324 124.736 120.400 0.020 0.000 2.267 785 K HA 0.303 4.622 4.320 -0.001 0.000 0.246 785 K C -0.351 176.257 176.600 0.013 0.000 0.954 785 K CA -0.925 55.371 56.287 0.015 0.000 0.824 785 K CB 1.720 34.229 32.500 0.014 0.000 1.167 785 K HN 0.517 nan 8.250 nan 0.000 0.431 786 N N 0.604 119.310 118.700 0.010 0.000 2.359 786 N HA -0.097 4.642 4.740 -0.001 0.000 0.261 786 N C 0.566 176.082 175.510 0.010 0.000 1.267 786 N CA 1.234 54.288 53.050 0.008 0.000 0.864 786 N CB 0.213 38.703 38.487 0.006 0.000 1.063 786 N HN 0.826 nan 8.380 nan 0.000 0.474 787 G N 2.732 111.538 108.800 0.009 0.000 2.284 787 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.216 787 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.216 787 G C -0.189 174.715 174.900 0.006 0.000 1.009 787 G CA -0.225 44.882 45.100 0.012 0.000 0.625 787 G HN 0.623 nan 8.290 nan 0.000 0.501 788 D N 0.908 121.313 120.400 0.008 0.000 2.400 788 D HA 0.393 5.032 4.640 -0.001 0.000 0.238 788 D C 1.043 177.339 176.300 -0.008 0.000 1.157 788 D CA 0.159 54.165 54.000 0.010 0.000 0.889 788 D CB 0.652 41.467 40.800 0.026 0.000 1.199 788 D HN 0.332 nan 8.370 nan 0.000 0.436 789 L N 2.429 123.648 121.223 -0.007 0.000 2.290 789 L HA 0.381 4.720 4.340 -0.001 0.000 0.284 789 L C 0.506 177.421 176.870 0.075 0.000 1.078 789 L CA -0.498 54.316 54.840 -0.043 0.000 0.815 789 L CB 0.291 42.330 42.059 -0.034 0.000 1.162 789 L HN 0.247 nan 8.230 nan 0.000 0.435 790 I N 0.747 121.333 120.570 0.028 0.000 2.957 790 I HA 0.613 4.782 4.170 -0.001 0.000 0.310 790 I C -0.532 175.594 176.117 0.015 0.000 1.063 790 I CA -1.039 60.304 61.300 0.072 0.000 1.033 790 I CB 2.173 40.204 38.000 0.051 0.000 1.230 790 I HN 0.585 nan 8.210 nan 0.000 0.447 791 R N 3.257 123.797 120.500 0.066 0.000 2.337 791 R HA 0.718 5.057 4.340 -0.001 0.000 0.319 791 R C -1.160 175.200 176.300 0.100 0.000 0.954 791 R CA -0.463 55.638 56.100 0.001 0.000 0.840 791 R CB 1.490 31.792 30.300 0.003 0.000 1.164 791 R HN 0.952 nan 8.270 nan 0.000 0.472 792 A N 4.849 127.688 122.820 0.031 0.000 2.301 792 A HA 0.504 4.823 4.320 -0.001 0.000 0.298 792 A C -1.253 176.352 177.584 0.034 0.000 1.185 792 A CA -0.458 51.582 52.037 0.004 0.000 0.830 792 A CB 0.278 19.253 19.000 -0.042 0.000 1.112 792 A HN 0.806 nan 8.150 nan 0.000 0.508 793 Y N 0.875 121.093 120.300 -0.138 0.000 2.670 793 Y HA 0.761 5.310 4.550 -0.001 0.000 0.334 793 Y C -0.623 175.050 175.900 -0.378 0.000 1.185 793 Y CA -1.020 56.965 58.100 -0.192 0.000 1.053 793 Y CB 1.165 39.556 38.460 -0.115 0.000 1.298 793 Y HN 0.802 nan 8.280 nan 0.000 0.459 794 N N -1.684 116.794 118.700 -0.369 0.000 3.517 794 N HA 0.196 4.935 4.740 -0.001 0.000 0.329 794 N C -0.719 174.668 175.510 -0.206 0.000 1.569 794 N CA -0.331 52.093 53.050 -1.042 0.000 0.852 794 N CB 0.026 37.842 38.487 -1.118 0.000 1.955 794 N HN 0.528 nan 8.380 nan 0.000 0.555 795 D N -0.538 119.811 120.400 -0.086 0.000 2.310 795 D HA -0.014 4.625 4.640 -0.001 0.000 0.212 795 D C 1.001 177.383 176.300 0.136 0.000 0.965 795 D CA 0.912 55.017 54.000 0.175 0.000 0.879 795 D CB -0.018 40.899 40.800 0.196 0.000 0.921 795 D HN 0.426 nan 8.370 nan 0.000 0.510 796 R N -0.241 120.244 120.500 -0.026 0.000 2.246 796 R HA 0.351 4.690 4.340 -0.001 0.000 0.199 796 R C 1.204 177.288 176.300 -0.359 0.000 0.984 796 R CA 0.448 56.487 56.100 -0.102 0.000 1.015 796 R CB 0.759 30.992 30.300 -0.112 0.000 0.930 796 R HN 0.093 nan 8.270 nan 0.000 0.475 797 G N -1.286 107.165 108.800 -0.582 0.000 2.345 797 G HA2 0.171 4.130 3.960 -0.001 0.000 0.285 797 G HA3 0.171 4.130 3.960 -0.001 0.000 0.285 797 G C -1.400 173.135 174.900 -0.608 0.000 1.297 797 G CA -0.790 43.528 45.100 -1.304 0.000 0.875 797 G HN -0.039 nan 8.290 nan 0.000 0.506 798 S N -1.417 114.027 115.700 -0.427 0.000 2.541 798 S HA 0.771 5.240 4.470 -0.001 0.000 0.280 798 S C -0.788 173.740 174.600 -0.120 0.000 1.112 798 S CA -0.520 57.612 58.200 -0.113 0.000 0.925 798 S CB 1.967 65.166 63.200 -0.002 0.000 1.067 798 S HN 1.142 nan 8.310 nan 0.000 0.479 799 V N 3.486 123.332 119.914 -0.113 0.000 2.577 799 V HA 0.499 4.618 4.120 -0.001 0.000 0.303 799 V C -1.039 174.964 176.094 -0.152 0.000 1.042 799 V CA -0.676 61.555 62.300 -0.116 0.000 0.872 799 V CB 1.621 33.391 31.823 -0.088 0.000 0.998 799 V HN 0.747 nan 8.190 nan 0.000 0.423 800 I N 6.029 126.467 120.570 -0.219 0.000 2.342 800 I HA 0.522 4.691 4.170 -0.001 0.000 0.291 800 I C -0.094 175.993 176.117 -0.050 0.000 1.010 800 I CA 0.479 61.585 61.300 -0.323 0.000 1.308 800 I CB 0.884 38.471 38.000 -0.688 0.000 1.400 800 I HN 0.434 nan 8.210 nan 0.000 0.488 801 L N 5.063 126.264 121.223 -0.037 0.000 2.341 801 L HA 0.869 5.209 4.340 -0.001 0.000 0.254 801 L C -0.305 176.572 176.870 0.012 0.000 1.040 801 L CA -1.097 53.796 54.840 0.088 0.000 0.837 801 L CB 1.661 43.786 42.059 0.111 0.000 1.425 801 L HN 0.536 nan 8.230 nan 0.000 0.414 802 A N 0.839 123.700 122.820 0.067 0.000 2.260 802 A HA 0.798 5.117 4.320 -0.001 0.000 0.308 802 A C -0.049 177.542 177.584 0.010 0.000 1.254 802 A CA -0.381 51.664 52.037 0.013 0.000 0.874 802 A CB 0.762 19.801 19.000 0.066 0.000 1.153 802 A HN 0.723 nan 8.150 nan 0.000 0.527 803 A N 2.425 125.246 122.820 0.001 0.000 2.409 803 A HA 0.520 4.839 4.320 -0.001 0.000 0.262 803 A C 0.182 177.764 177.584 -0.004 0.000 1.113 803 A CA -0.162 51.877 52.037 0.002 0.000 0.790 803 A CB 0.169 19.175 19.000 0.009 0.000 1.046 803 A HN 0.859 nan 8.150 nan 0.000 0.496 804 Q N 3.065 122.857 119.800 -0.013 0.000 2.401 804 Q HA 0.478 4.817 4.340 -0.001 0.000 0.260 804 Q C -1.448 174.542 176.000 -0.017 0.000 1.034 804 Q CA -0.485 55.308 55.803 -0.017 0.000 0.737 804 Q CB 1.213 29.932 28.738 -0.031 0.000 1.227 804 Q HN 0.563 nan 8.270 nan 0.000 0.488 805 V N 3.354 123.264 119.914 -0.007 0.000 2.572 805 V HA 0.330 4.449 4.120 -0.001 0.000 0.291 805 V C 0.407 176.498 176.094 -0.005 0.000 1.039 805 V CA 0.341 62.639 62.300 -0.003 0.000 1.055 805 V CB 1.177 33.002 31.823 0.004 0.000 0.969 805 V HN 0.831 nan 8.190 nan 0.000 0.482 806 T N 2.583 117.135 114.554 -0.002 0.000 2.762 806 T HA 0.390 4.739 4.350 -0.001 0.000 0.301 806 T C -0.013 174.700 174.700 0.023 0.000 1.299 806 T CA -0.487 61.612 62.100 -0.001 0.000 1.005 806 T CB 2.063 70.918 68.868 -0.022 0.000 1.377 806 T HN 0.649 nan 8.240 nan 0.000 0.504 807 E N 0.428 120.646 120.200 0.029 0.000 2.526 807 E HA 0.198 4.547 4.350 -0.001 0.000 0.208 807 E C 0.971 177.654 176.600 0.138 0.000 0.997 807 E CA 0.142 56.589 56.400 0.077 0.000 0.961 807 E CB 0.059 29.798 29.700 0.065 0.000 1.030 807 E HN 0.570 nan 8.360 nan 0.000 0.483 808 C N 1.450 120.780 119.300 0.051 0.000 2.449 808 C HA 0.301 4.760 4.460 -0.001 0.000 0.322 808 C C 0.692 175.851 174.990 0.281 0.000 1.309 808 C CA -0.022 58.980 59.018 -0.028 0.000 1.657 808 C CB -1.781 25.862 27.740 -0.161 0.000 1.718 808 C HN 0.130 nan 8.230 nan 0.000 0.596 809 L N -0.010 121.438 121.223 0.375 0.000 2.505 809 L HA 0.334 4.673 4.340 -0.001 0.000 0.259 809 L C -0.304 176.698 176.870 0.220 0.000 0.952 809 L CA -0.384 54.651 54.840 0.326 0.000 0.840 809 L CB 1.409 43.558 42.059 0.150 0.000 1.358 809 L HN 0.088 nan 8.230 nan 0.000 0.409 810 Q N 3.098 122.970 119.800 0.121 0.000 2.364 810 Q HA 0.255 4.595 4.340 -0.001 0.000 0.267 810 Q C -2.308 173.704 176.000 0.020 0.000 0.999 810 Q CA -1.350 54.459 55.803 0.011 0.000 0.886 810 Q CB 1.133 29.830 28.738 -0.069 0.000 1.243 810 Q HN 0.232 nan 8.270 nan 0.000 0.415 811 P HA -0.021 nan 4.420 nan 0.000 0.262 811 P C -0.009 177.286 177.300 -0.008 0.000 1.182 811 P CA 1.474 64.576 63.100 0.003 0.000 0.761 811 P CB 0.471 32.167 31.700 -0.005 0.000 0.795 812 G N 1.366 110.164 108.800 -0.004 0.000 2.179 812 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.220 812 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.220 812 G C 0.105 175.001 174.900 -0.006 0.000 0.990 812 G CA -0.117 44.976 45.100 -0.011 0.000 0.646 812 G HN 0.598 nan 8.290 nan 0.000 0.517 813 T N 0.748 115.306 114.554 0.007 0.000 2.841 813 T HA 0.695 5.044 4.350 -0.001 0.000 0.283 813 T C 0.093 174.806 174.700 0.023 0.000 1.000 813 T CA 0.097 62.208 62.100 0.018 0.000 0.977 813 T CB 2.544 71.436 68.868 0.041 0.000 0.979 813 T HN 1.375 nan 8.240 nan 0.000 0.446 814 V N 0.283 120.204 119.914 0.012 0.000 2.960 814 V HA 0.758 4.877 4.120 -0.001 0.000 0.315 814 V C -0.965 175.139 176.094 0.016 0.000 1.087 814 V CA -0.862 61.440 62.300 0.005 0.000 0.982 814 V CB 2.188 34.001 31.823 -0.016 0.000 1.039 814 V HN 0.979 nan 8.190 nan 0.000 0.437 815 H N 1.587 120.565 119.070 -0.153 0.000 2.856 815 H HA 0.718 5.273 4.556 -0.001 0.000 0.355 815 H C -1.683 173.492 175.328 -0.255 0.000 1.079 815 H CA 0.070 55.973 56.048 -0.241 0.000 1.240 815 H CB 2.136 31.630 29.762 -0.447 0.000 1.701 815 H HN 0.976 nan 8.280 nan 0.000 0.527 816 S N 5.323 120.729 115.700 -0.489 0.000 2.689 816 S HA 0.309 4.778 4.470 -0.001 0.000 0.274 816 S C -1.243 173.255 174.600 -0.170 0.000 1.176 816 S CA -0.514 57.562 58.200 -0.206 0.000 1.014 816 S CB 0.296 63.536 63.200 0.068 0.000 1.071 816 S HN 0.524 nan 8.310 nan 0.000 0.478 817 Y N 2.727 123.064 120.300 0.061 0.000 2.652 817 Y HA 0.118 4.667 4.550 -0.001 0.000 0.344 817 Y C 1.355 177.503 175.900 0.414 0.000 1.254 817 Y CA 0.314 58.540 58.100 0.209 0.000 1.480 817 Y CB 0.542 39.166 38.460 0.273 0.000 1.345 817 Y HN 0.788 nan 8.280 nan 0.000 0.617 818 E N -1.153 119.294 120.200 0.411 0.000 2.961 818 E HA 0.480 4.829 4.350 -0.001 0.000 0.254 818 E C -0.074 176.598 176.600 0.121 0.000 1.192 818 E CA -0.296 56.197 56.400 0.155 0.000 1.069 818 E CB 0.779 30.513 29.700 0.056 0.000 1.338 818 E HN 0.480 nan 8.360 nan 0.000 0.596 819 S N -2.270 113.401 115.700 -0.048 0.000 3.361 819 S HA -0.239 4.230 4.470 -0.001 0.000 0.288 819 S C 0.255 174.754 174.600 -0.168 0.000 1.269 819 S CA 0.536 58.704 58.200 -0.054 0.000 0.976 819 S CB -2.598 60.664 63.200 0.102 0.000 1.162 819 S HN 0.791 nan 8.310 nan 0.000 0.643 820 C N 2.095 121.100 119.300 -0.491 0.000 2.538 820 C HA 0.437 4.896 4.460 -0.001 0.000 0.408 820 C C 1.880 176.669 174.990 -0.334 0.000 1.421 820 C CA 0.467 59.034 59.018 -0.752 0.000 1.642 820 C CB -0.264 26.764 27.740 -1.187 0.000 2.553 820 C HN 0.784 nan 8.230 nan 0.000 0.604 821 A N 4.760 127.457 122.820 -0.204 0.000 2.178 821 A HA 0.297 4.616 4.320 -0.001 0.000 0.211 821 A C 0.651 178.159 177.584 -0.127 0.000 1.157 821 A CA 0.444 52.393 52.037 -0.146 0.000 0.780 821 A CB -0.058 18.861 19.000 -0.134 0.000 0.828 821 A HN 0.812 nan 8.150 nan 0.000 0.476 822 V N 0.556 120.392 119.914 -0.129 0.000 2.370 822 V HA 0.263 4.382 4.120 -0.001 0.000 0.279 822 V C -0.794 175.289 176.094 -0.018 0.000 1.029 822 V CA -0.463 61.790 62.300 -0.079 0.000 0.870 822 V CB 0.672 32.451 31.823 -0.073 0.000 0.984 822 V HN 0.383 nan 8.190 nan 0.000 0.451 823 Y N 4.333 124.558 120.300 -0.126 0.000 2.356 823 Y HA 0.612 5.161 4.550 -0.001 0.000 0.334 823 Y C -0.443 175.414 175.900 -0.071 0.000 0.958 823 Y CA -1.515 56.527 58.100 -0.096 0.000 1.196 823 Y CB 1.395 39.815 38.460 -0.067 0.000 1.137 823 Y HN 0.706 nan 8.280 nan 0.000 0.485 824 D N 8.808 128.914 120.400 -0.490 0.000 2.400 824 D HA 0.361 5.000 4.640 -0.001 0.000 0.272 824 D C -3.098 172.933 176.300 -0.449 0.000 1.220 824 D CA -2.255 51.504 54.000 -0.401 0.000 0.897 824 D CB 1.263 41.984 40.800 -0.132 0.000 1.134 824 D HN 0.210 nan 8.370 nan 0.000 0.507 825 P HA 0.112 nan 4.420 nan 0.000 0.268 825 P C 0.957 178.164 177.300 -0.156 0.000 1.204 825 P CA -0.170 62.721 63.100 -0.347 0.000 0.768 825 P CB 1.004 32.528 31.700 -0.294 0.000 0.842 826 L N 1.186 122.375 121.223 -0.055 0.000 2.341 826 L HA 0.147 4.486 4.340 -0.001 0.000 0.214 826 L C 1.510 178.403 176.870 0.037 0.000 1.115 826 L CA 1.021 55.868 54.840 0.012 0.000 0.820 826 L CB -0.443 41.676 42.059 0.101 0.000 0.944 826 L HN 0.539 nan 8.230 nan 0.000 0.452 827 G N -1.315 107.513 108.800 0.047 0.000 3.259 827 G HA2 0.250 4.210 3.960 -0.001 0.000 0.178 827 G HA3 0.250 4.210 3.960 -0.001 0.000 0.178 827 G C -0.708 174.227 174.900 0.058 0.000 1.129 827 G CA -0.243 44.892 45.100 0.057 0.000 0.816 827 G HN -0.145 nan 8.290 nan 0.000 0.634 828 T N 1.595 116.198 114.554 0.082 0.000 2.934 828 T HA 0.423 4.772 4.350 -0.001 0.000 0.306 828 T C 0.782 175.573 174.700 0.151 0.000 1.042 828 T CA 0.503 62.664 62.100 0.101 0.000 1.145 828 T CB 0.727 69.657 68.868 0.105 0.000 0.982 828 T HN 0.874 nan 8.240 nan 0.000 0.544 829 A N 2.737 125.665 122.820 0.179 0.000 2.546 829 A HA 0.480 4.799 4.320 -0.001 0.000 0.243 829 A C 1.696 179.492 177.584 0.353 0.000 1.063 829 A CA 0.195 52.428 52.037 0.326 0.000 0.757 829 A CB -0.869 18.377 19.000 0.410 0.000 0.991 829 A HN 1.623 nan 8.150 nan 0.000 0.503 830 G N 2.013 111.054 108.800 0.403 0.000 2.234 830 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.260 830 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.260 830 G C 0.704 175.741 174.900 0.227 0.000 0.987 830 G CA 0.958 46.212 45.100 0.256 0.000 0.625 830 G HN 0.827 nan 8.290 nan 0.000 0.532 831 K N 0.065 120.617 120.400 0.253 0.000 2.438 831 K HA 0.373 4.693 4.320 -0.001 0.000 0.206 831 K C 0.638 177.455 176.600 0.362 0.000 1.081 831 K CA 0.671 57.127 56.287 0.280 0.000 1.053 831 K CB 1.032 33.643 32.500 0.184 0.000 0.908 831 K HN 0.560 nan 8.250 nan 0.000 0.556 832 S N -0.417 115.488 115.700 0.341 0.000 2.661 832 S HA 0.708 5.177 4.470 -0.001 0.000 0.285 832 S C -0.387 174.385 174.600 0.287 0.000 1.138 832 S CA -1.131 57.275 58.200 0.344 0.000 0.855 832 S CB 1.663 64.985 63.200 0.203 0.000 1.136 832 S HN 0.088 nan 8.310 nan 0.000 0.484 833 A N 0.605 123.602 122.820 0.294 0.000 2.531 833 A HA 0.436 4.755 4.320 -0.001 0.000 0.236 833 A C -0.050 177.551 177.584 0.029 0.000 1.062 833 A CA 0.171 52.296 52.037 0.146 0.000 0.760 833 A CB -0.592 18.507 19.000 0.165 0.000 0.995 833 A HN 0.872 nan 8.150 nan 0.000 0.501 834 D N -0.175 120.208 120.400 -0.030 0.000 2.192 834 D HA 0.460 5.099 4.640 -0.001 0.000 0.246 834 D C 0.907 177.138 176.300 -0.115 0.000 1.042 834 D CA -0.595 53.361 54.000 -0.073 0.000 0.847 834 D CB 0.912 41.728 40.800 0.028 0.000 1.186 834 D HN 0.517 nan 8.370 nan 0.000 0.461 835 R N 2.014 122.434 120.500 -0.133 0.000 2.437 835 R HA 0.318 4.657 4.340 -0.001 0.000 0.257 835 R C 1.293 177.616 176.300 0.039 0.000 0.927 835 R CA -0.199 55.850 56.100 -0.085 0.000 1.078 835 R CB 0.332 30.512 30.300 -0.200 0.000 1.161 835 R HN 0.394 nan 8.270 nan 0.000 0.529 836 G N 0.914 109.710 108.800 -0.008 0.000 2.394 836 G HA2 0.137 4.097 3.960 -0.001 0.000 0.215 836 G HA3 0.137 4.097 3.960 -0.001 0.000 0.215 836 G C 1.044 175.920 174.900 -0.039 0.000 1.165 836 G CA 0.748 45.858 45.100 0.016 0.000 0.784 836 G HN 0.588 nan 8.290 nan 0.000 0.535 837 G N -2.159 106.567 108.800 -0.122 0.000 2.148 837 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.120 837 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.120 837 G C 0.126 174.647 174.900 -0.630 0.000 1.034 837 G CA -0.167 44.734 45.100 -0.333 0.000 0.710 837 G HN 0.481 nan 8.290 nan 0.000 0.495 838 C N 2.430 121.531 119.300 -0.332 0.000 2.645 838 C HA 0.259 4.718 4.460 -0.001 0.000 0.451 838 C C 2.262 177.110 174.990 -0.237 0.000 1.018 838 C CA -0.512 58.328 59.018 -0.296 0.000 1.180 838 C CB -1.802 25.860 27.740 -0.129 0.000 1.563 838 C HN 0.471 nan 8.230 nan 0.000 0.551 839 I N 2.548 122.952 120.570 -0.277 0.000 2.423 839 I HA -0.137 4.032 4.170 -0.001 0.000 0.254 839 I C 2.108 178.145 176.117 -0.133 0.000 1.151 839 I CA 1.447 62.654 61.300 -0.155 0.000 1.421 839 I CB -0.622 37.331 38.000 -0.078 0.000 1.079 839 I HN 0.608 nan 8.210 nan 0.000 0.431 840 N N 0.843 119.453 118.700 -0.149 0.000 2.609 840 N HA -0.050 4.689 4.740 -0.001 0.000 0.190 840 N C 1.751 177.188 175.510 -0.122 0.000 1.157 840 N CA 0.482 53.456 53.050 -0.127 0.000 0.918 840 N CB -0.015 38.385 38.487 -0.145 0.000 0.978 840 N HN 0.430 nan 8.380 nan 0.000 0.448 841 I N 0.061 120.551 120.570 -0.133 0.000 2.546 841 I HA -0.170 3.999 4.170 -0.001 0.000 0.255 841 I C 1.480 177.512 176.117 -0.141 0.000 1.163 841 I CA 0.795 62.014 61.300 -0.134 0.000 1.457 841 I CB 0.154 38.069 38.000 -0.140 0.000 1.092 841 I HN 0.080 nan 8.210 nan 0.000 0.434 842 L N -0.194 120.948 121.223 -0.136 0.000 2.529 842 L HA 0.063 4.402 4.340 -0.001 0.000 0.223 842 L C 1.131 177.940 176.870 -0.102 0.000 1.113 842 L CA -0.043 54.713 54.840 -0.141 0.000 0.861 842 L CB -0.649 41.319 42.059 -0.153 0.000 1.012 842 L HN 0.243 nan 8.230 nan 0.000 0.461 843 T N -1.089 113.420 114.554 -0.075 0.000 2.919 843 T HA 0.234 4.583 4.350 -0.001 0.000 0.302 843 T C -2.392 172.308 174.700 -0.000 0.000 1.031 843 T CA -1.741 60.337 62.100 -0.037 0.000 1.127 843 T CB 0.661 69.510 68.868 -0.033 0.000 0.952 843 T HN -0.103 nan 8.240 nan 0.000 0.540 844 P HA 0.146 nan 4.420 nan 0.000 0.267 844 P C -0.077 177.291 177.300 0.113 0.000 1.205 844 P CA -0.133 63.049 63.100 0.137 0.000 0.765 844 P CB 0.664 32.574 31.700 0.350 0.000 0.828 845 D N 2.131 122.549 120.400 0.029 0.000 2.349 845 D HA -0.008 4.631 4.640 -0.001 0.000 0.214 845 D C 0.773 177.008 176.300 -0.107 0.000 1.063 845 D CA -0.037 53.936 54.000 -0.045 0.000 0.847 845 D CB -0.218 40.514 40.800 -0.114 0.000 0.933 845 D HN 0.316 nan 8.370 nan 0.000 0.513 846 R N 0.562 121.026 120.500 -0.060 0.000 2.489 846 R HA 0.066 4.405 4.340 -0.001 0.000 0.287 846 R C -0.421 175.891 176.300 0.020 0.000 1.053 846 R CA -0.398 55.575 56.100 -0.213 0.000 1.036 846 R CB 0.198 30.143 30.300 -0.591 0.000 0.966 846 R HN 0.030 nan 8.270 nan 0.000 0.432 847 Y N 3.765 124.036 120.300 -0.048 0.000 2.683 847 Y HA -0.130 4.419 4.550 -0.001 0.000 0.340 847 Y C 1.957 177.951 175.900 0.156 0.000 1.245 847 Y CA -0.487 57.619 58.100 0.010 0.000 1.485 847 Y CB 0.563 38.979 38.460 -0.073 0.000 1.328 847 Y HN 0.597 nan 8.280 nan 0.000 0.603 848 I N 1.001 121.794 120.570 0.372 0.000 2.236 848 I HA -0.307 3.862 4.170 -0.001 0.000 0.249 848 I C 1.052 177.431 176.117 0.437 0.000 1.102 848 I CA 1.693 63.240 61.300 0.412 0.000 1.365 848 I CB -0.393 37.707 38.000 0.168 0.000 1.051 848 I HN 0.560 nan 8.210 nan 0.000 0.420 849 S N -1.453 114.363 115.700 0.193 0.000 2.705 849 S HA 0.287 4.756 4.470 -0.001 0.000 0.280 849 S C 0.458 175.068 174.600 0.017 0.000 1.174 849 S CA -0.882 57.410 58.200 0.153 0.000 0.823 849 S CB 1.955 65.283 63.200 0.214 0.000 1.162 849 S HN 0.051 nan 8.310 nan 0.000 0.487 850 K N -0.584 119.796 120.400 -0.033 0.000 2.057 850 K HA -0.071 4.248 4.320 -0.001 0.000 0.207 850 K C 0.850 177.204 176.600 -0.411 0.000 1.049 850 K CA 1.839 57.972 56.287 -0.257 0.000 0.931 850 K CB -0.330 31.934 32.500 -0.393 0.000 0.714 850 K HN 0.708 nan 8.250 nan 0.000 0.440 851 Y N -0.994 119.373 120.300 0.112 0.000 2.462 851 Y HA 0.353 4.902 4.550 -0.001 0.000 0.253 851 Y C 0.424 176.245 175.900 -0.131 0.000 1.095 851 Y CA -0.205 57.955 58.100 0.100 0.000 1.283 851 Y CB 0.591 39.261 38.460 0.349 0.000 1.138 851 Y HN -0.034 nan 8.280 nan 0.000 0.522 852 A N 0.040 122.792 122.820 -0.113 0.000 2.671 852 A HA 0.276 4.596 4.320 -0.001 0.000 0.306 852 A C -0.022 176.855 177.584 -1.179 0.000 1.473 852 A CA -0.359 51.356 52.037 -0.536 0.000 1.155 852 A CB -1.192 17.745 19.000 -0.105 0.000 1.123 852 A HN 0.487 nan 8.150 nan 0.000 0.545 853 C N 3.148 121.296 119.300 -1.919 0.000 3.305 853 C HA 0.445 4.904 4.460 -0.001 0.000 0.566 853 C C 1.448 175.723 174.990 -1.191 0.000 1.178 853 C CA -0.174 57.682 59.018 -1.936 0.000 1.317 853 C CB -1.948 24.896 27.740 -1.493 0.000 1.634 853 C HN 0.859 nan 8.230 nan 0.000 0.643 854 G N 0.863 109.186 108.800 -0.795 0.000 2.537 854 G HA2 0.661 4.620 3.960 -0.001 0.000 0.323 854 G HA3 0.661 4.620 3.960 -0.001 0.000 0.323 854 G C -0.345 174.657 174.900 0.170 0.000 1.207 854 G CA -0.803 44.261 45.100 -0.061 0.000 0.976 854 G HN 0.532 nan 8.290 nan 0.000 0.487 855 M N 0.448 120.172 119.600 0.208 0.000 2.217 855 M HA 0.628 5.107 4.480 -0.001 0.000 0.354 855 M C 0.213 176.601 176.300 0.145 0.000 1.225 855 M CA -0.358 55.046 55.300 0.174 0.000 1.137 855 M CB 1.743 34.412 32.600 0.115 0.000 1.576 855 M HN 0.422 nan 8.290 nan 0.000 0.461 856 A N 2.983 125.887 122.820 0.140 0.000 2.701 856 A HA 0.263 4.582 4.320 -0.001 0.000 0.297 856 A C 0.603 178.183 177.584 -0.006 0.000 1.197 856 A CA -0.611 51.456 52.037 0.050 0.000 0.963 856 A CB -0.715 18.292 19.000 0.011 0.000 1.175 856 A HN 1.021 nan 8.150 nan 0.000 0.531 857 N N 1.640 120.355 118.700 0.026 0.000 2.069 857 N HA -0.212 4.528 4.740 -0.001 0.000 0.196 857 N C 0.956 176.456 175.510 -0.016 0.000 1.024 857 N CA 1.895 54.948 53.050 0.004 0.000 0.869 857 N CB -0.308 38.184 38.487 0.008 0.000 1.035 857 N HN 0.479 nan 8.380 nan 0.000 0.434 858 N N 0.076 118.772 118.700 -0.007 0.000 2.627 858 N HA -0.037 4.703 4.740 -0.001 0.000 0.196 858 N C -0.357 175.138 175.510 -0.024 0.000 1.268 858 N CA 0.673 53.719 53.050 -0.007 0.000 0.904 858 N CB -0.263 38.233 38.487 0.016 0.000 1.016 858 N HN 0.420 nan 8.380 nan 0.000 0.448 859 T N -1.873 112.642 114.554 -0.065 0.000 2.934 859 T HA 0.749 5.098 4.350 -0.001 0.000 0.328 859 T C -0.542 174.103 174.700 -0.091 0.000 1.068 859 T CA -0.933 61.105 62.100 -0.102 0.000 1.018 859 T CB 1.665 70.418 68.868 -0.192 0.000 1.009 859 T HN 0.079 nan 8.240 nan 0.000 0.471 860 A N 4.155 126.941 122.820 -0.057 0.000 2.427 860 A HA 0.741 5.060 4.320 -0.001 0.000 0.298 860 A C -0.732 176.830 177.584 -0.036 0.000 1.036 860 A CA -0.932 51.081 52.037 -0.039 0.000 0.701 860 A CB 1.236 20.205 19.000 -0.051 0.000 1.250 860 A HN 0.873 nan 8.150 nan 0.000 0.412 861 L N 3.016 124.232 121.223 -0.011 0.000 2.292 861 L HA 0.696 5.035 4.340 -0.001 0.000 0.284 861 L C 0.135 176.964 176.870 -0.069 0.000 1.065 861 L CA -0.649 54.198 54.840 0.013 0.000 0.806 861 L CB 1.320 43.443 42.059 0.107 0.000 1.175 861 L HN 0.714 nan 8.230 nan 0.000 0.431 862 V N 0.099 119.967 119.914 -0.076 0.000 3.182 862 V HA 0.789 4.909 4.120 -0.001 0.000 0.308 862 V C -1.295 174.717 176.094 -0.136 0.000 1.240 862 V CA -0.712 61.452 62.300 -0.227 0.000 1.063 862 V CB 2.293 33.977 31.823 -0.231 0.000 1.076 862 V HN 0.694 nan 8.190 nan 0.000 0.446 863 E N 0.562 120.558 120.200 -0.341 0.000 2.340 863 E HA 0.791 5.140 4.350 -0.001 0.000 0.273 863 E C -1.115 175.285 176.600 -0.334 0.000 0.891 863 E CA -0.479 55.744 56.400 -0.295 0.000 0.757 863 E CB 1.932 31.433 29.700 -0.331 0.000 1.231 863 E HN 1.121 nan 8.360 nan 0.000 0.439 864 I N -0.455 120.069 120.570 -0.077 0.000 2.934 864 I HA 0.819 4.988 4.170 -0.001 0.000 0.306 864 I C -1.102 175.096 176.117 0.135 0.000 1.110 864 I CA -0.885 60.443 61.300 0.046 0.000 1.019 864 I CB 2.321 40.333 38.000 0.020 0.000 1.227 864 I HN 0.644 nan 8.210 nan 0.000 0.434 865 E N 2.351 122.655 120.200 0.174 0.000 2.401 865 E HA 0.390 4.739 4.350 -0.001 0.000 0.280 865 E C -1.728 174.965 176.600 0.156 0.000 1.039 865 E CA -1.247 55.252 56.400 0.164 0.000 0.814 865 E CB 1.520 31.346 29.700 0.209 0.000 1.275 865 E HN 0.530 nan 8.360 nan 0.000 0.448 866 K N 1.010 121.490 120.400 0.133 0.000 2.489 866 K HA -0.002 4.317 4.320 -0.001 0.000 0.278 866 K C -0.629 176.105 176.600 0.223 0.000 1.000 866 K CA -0.129 56.245 56.287 0.144 0.000 1.012 866 K CB 0.406 32.963 32.500 0.096 0.000 0.903 866 K HN 0.458 nan 8.250 nan 0.000 0.485 867 W N 4.791 126.108 121.300 0.028 0.000 2.253 867 W HA -0.017 4.643 4.660 -0.001 0.000 0.322 867 W C 0.525 177.083 176.519 0.064 0.000 1.342 867 W CA -0.504 56.873 57.345 0.053 0.000 1.218 867 W CB 0.355 29.833 29.460 0.030 0.000 1.205 867 W HN 0.665 nan 8.180 nan 0.000 0.551 868 D N 2.484 122.833 120.400 -0.086 0.000 2.339 868 D HA 0.141 4.780 4.640 -0.001 0.000 0.217 868 D C 1.624 177.541 176.300 -0.638 0.000 1.050 868 D CA 0.604 54.452 54.000 -0.252 0.000 0.856 868 D CB -0.134 40.634 40.800 -0.053 0.000 0.922 868 D HN 0.722 nan 8.370 nan 0.000 0.518 869 G N 0.190 108.038 108.800 -1.587 0.000 2.213 869 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.236 869 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.236 869 G C -0.042 174.463 174.900 -0.659 0.000 0.991 869 G CA 0.076 44.166 45.100 -1.683 0.000 0.629 869 G HN 0.578 nan 8.290 nan 0.000 0.517 870 D N 0.746 121.005 120.400 -0.235 0.000 2.357 870 D HA 0.430 5.069 4.640 -0.001 0.000 0.242 870 D C 1.793 178.294 176.300 0.336 0.000 1.153 870 D CA 0.335 54.286 54.000 -0.081 0.000 0.918 870 D CB 0.586 41.072 40.800 -0.522 0.000 1.181 870 D HN 0.462 nan 8.370 nan 0.000 0.435 871 K N 1.388 121.878 120.400 0.151 0.000 2.393 871 K HA -0.012 4.307 4.320 -0.001 0.000 0.193 871 K C -0.118 176.672 176.600 0.317 0.000 1.026 871 K CA -0.176 56.279 56.287 0.280 0.000 1.064 871 K CB -0.179 32.413 32.500 0.153 0.000 0.833 871 K HN 0.464 nan 8.250 nan 0.000 0.521 872 Y N 1.957 122.343 120.300 0.144 0.000 2.988 872 Y HA -0.214 4.335 4.550 -0.001 0.000 0.193 872 Y C -0.287 175.643 175.900 0.050 0.000 1.388 872 Y CA 0.641 58.792 58.100 0.085 0.000 0.904 872 Y CB -1.967 36.586 38.460 0.156 0.000 1.297 872 Y HN 0.423 nan 8.280 nan 0.000 0.432 873 E N 2.573 122.806 120.200 0.054 0.000 1.972 873 E HA 0.313 4.662 4.350 -0.001 0.000 0.292 873 E C 0.749 177.304 176.600 -0.074 0.000 1.193 873 E CA 0.067 56.494 56.400 0.044 0.000 1.228 873 E CB -0.371 29.350 29.700 0.035 0.000 1.167 873 E HN 0.610 nan 8.360 nan 0.000 0.479 874 I N -0.787 119.613 120.570 -0.283 0.000 3.658 874 I HA 0.321 4.490 4.170 -0.001 0.000 0.328 874 I C -0.992 174.745 176.117 -0.634 0.000 1.567 874 I CA -0.741 60.298 61.300 -0.435 0.000 1.078 874 I CB -0.010 37.722 38.000 -0.447 0.000 1.267 874 I HN 0.057 nan 8.210 nan 0.000 0.495 875 Y N 0.000 120.350 120.300 0.083 0.000 2.660 875 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 875 Y CA 0.000 58.143 58.100 0.072 0.000 1.940 875 Y CB 0.000 38.505 38.460 0.075 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758