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 3d7e_1_X DATA FIRST_RESID 5 DATA SEQUENCE NYVMAIDQGT TSSRAIIFDR NGKKIGSSQK EFPQYFPKSG WVEHNANEIW DATA SEQUENCE NSVQSVIAGA FIESGIRPEA IAGIGITNQR ETTVVWDKTT GQPIANAIVW DATA SEQUENCE QSRQSSPIAD QLKVDGHTEM IHEKTGLVID AYFSATKVRW LLDNIEGAQE DATA SEQUENCE KADNGELLFG TIDSWLVWKL TDGQVHVTDY SNASRTMLYN IHKLEWDQEI DATA SEQUENCE LDLLNIPSSM LPEVKSNSEV YGHTRSYAFY GSEVPIAGMA GDQQAALFGQ DATA SEQUENCE MAFEKGMIKN TYGTGAFIVM NTGEEPQLSD NDLLTTIGYG INGKVYYALE DATA SEQUENCE GSIFVAGSAI QWLRDGLRMI ETSPQSEELA AKAKGDNEVY VVPAFTGLGA DATA SEQUENCE PYWDSEARGA VFGLTRGTTK EDFVRATLQA VAYQSKDVID TMKKDSGIDI DATA SEQUENCE PLLKVDGGAA KNDLLMQFQA DILDIDVQRA ANLETTALGA AYLAGLAVGF DATA SEQUENCE WKDLDELKSM AEEGQMFTPE MPAEERDNLY EGWKQAVAAT QTFKF 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.323 175.510 -0.312 0.000 1.280 5 N CA 0.000 52.969 53.050 -0.134 0.000 0.885 5 N CB 0.000 38.245 38.487 -0.403 0.000 1.341 6 Y N -0.266 120.107 120.300 0.122 0.000 2.597 6 Y HA 0.641 5.191 4.550 -0.001 0.000 0.340 6 Y C -0.271 175.376 175.900 -0.421 0.000 1.097 6 Y CA -0.810 57.276 58.100 -0.023 0.000 1.037 6 Y CB 1.805 40.307 38.460 0.070 0.000 1.305 6 Y HN -0.361 nan 8.280 nan 0.000 0.463 7 V N 3.097 122.909 119.914 -0.171 0.000 2.680 7 V HA 0.491 4.611 4.120 -0.001 0.000 0.309 7 V C -0.638 175.519 176.094 0.106 0.000 1.052 7 V CA -0.868 61.320 62.300 -0.187 0.000 0.908 7 V CB 2.026 33.641 31.823 -0.346 0.000 1.001 7 V HN 0.808 nan 8.190 nan 0.000 0.431 8 M N 4.083 123.730 119.600 0.079 0.000 2.404 8 M HA 0.834 5.314 4.480 -0.001 0.000 0.338 8 M C -0.523 175.861 176.300 0.140 0.000 1.150 8 M CA -0.398 54.951 55.300 0.083 0.000 1.016 8 M CB 1.626 34.257 32.600 0.052 0.000 1.672 8 M HN 0.756 nan 8.290 nan 0.000 0.448 9 A N 5.490 128.407 122.820 0.162 0.000 2.365 9 A HA 0.798 5.117 4.320 -0.001 0.000 0.318 9 A C -1.244 176.403 177.584 0.103 0.000 1.091 9 A CA -0.750 51.395 52.037 0.180 0.000 0.763 9 A CB 1.011 20.201 19.000 0.317 0.000 1.248 9 A HN 0.896 nan 8.150 nan 0.000 0.442 10 I N 1.808 122.439 120.570 0.101 0.000 2.362 10 I HA 0.283 4.452 4.170 -0.001 0.000 0.289 10 I C -0.977 175.193 176.117 0.089 0.000 0.994 10 I CA -0.383 60.966 61.300 0.082 0.000 1.158 10 I CB 1.918 39.979 38.000 0.102 0.000 1.315 10 I HN 0.604 nan 8.210 nan 0.000 0.451 11 D N 6.588 127.040 120.400 0.086 0.000 2.461 11 D HA 0.096 4.735 4.640 -0.001 0.000 0.240 11 D C -0.590 175.778 176.300 0.113 0.000 1.094 11 D CA -0.346 53.714 54.000 0.099 0.000 0.868 11 D CB 1.075 41.937 40.800 0.103 0.000 1.062 11 D HN 0.252 nan 8.370 nan 0.000 0.530 12 Q N 3.109 122.982 119.800 0.121 0.000 2.456 12 Q HA 0.452 4.792 4.340 -0.001 0.000 0.234 12 Q C -0.062 176.061 176.000 0.205 0.000 1.061 12 Q CA -0.521 55.364 55.803 0.137 0.000 0.896 12 Q CB 1.002 29.806 28.738 0.109 0.000 1.233 12 Q HN 0.642 nan 8.270 nan 0.000 0.506 13 G N 1.640 110.599 108.800 0.265 0.000 2.531 13 G HA2 0.233 4.192 3.960 -0.001 0.000 0.281 13 G HA3 0.233 4.192 3.960 -0.001 0.000 0.281 13 G C 0.570 175.746 174.900 0.460 0.000 1.382 13 G CA -0.099 45.190 45.100 0.314 0.000 1.045 13 G HN 0.522 nan 8.290 nan 0.000 0.533 14 T N -0.568 114.264 114.554 0.463 0.000 2.978 14 T HA 0.004 4.354 4.350 -0.001 0.000 0.262 14 T C 2.314 177.179 174.700 0.274 0.000 1.063 14 T CA 1.882 64.323 62.100 0.568 0.000 1.140 14 T CB -0.122 69.136 68.868 0.650 0.000 0.886 14 T HN 0.653 nan 8.240 nan 0.000 0.470 15 T N -1.132 113.458 114.554 0.061 0.000 2.975 15 T HA 0.341 4.690 4.350 -0.001 0.000 0.261 15 T C 0.616 175.065 174.700 -0.418 0.000 0.984 15 T CA 0.004 61.907 62.100 -0.327 0.000 0.911 15 T CB 0.279 69.091 68.868 -0.092 0.000 1.127 15 T HN 0.348 nan 8.240 nan 0.000 0.514 16 S N 0.096 115.827 115.700 0.052 0.000 2.596 16 S HA 0.762 5.231 4.470 -0.001 0.000 0.270 16 S C -1.139 173.679 174.600 0.363 0.000 1.155 16 S CA -0.724 57.600 58.200 0.208 0.000 0.827 16 S CB 1.958 65.219 63.200 0.100 0.000 1.130 16 S HN 0.173 nan 8.310 nan 0.000 0.467 17 S N 0.399 116.272 115.700 0.287 0.000 2.664 17 S HA 0.856 5.326 4.470 -0.001 0.000 0.304 17 S C -0.567 174.090 174.600 0.095 0.000 1.099 17 S CA -0.926 57.372 58.200 0.164 0.000 1.003 17 S CB 1.437 64.687 63.200 0.083 0.000 1.092 17 S HN 0.813 nan 8.310 nan 0.000 0.525 18 R N -0.169 120.369 120.500 0.063 0.000 2.643 18 R HA 0.662 5.001 4.340 -0.001 0.000 0.269 18 R C -2.067 174.231 176.300 -0.003 0.000 1.037 18 R CA -0.482 55.633 56.100 0.025 0.000 0.894 18 R CB 1.611 31.936 30.300 0.043 0.000 1.238 18 R HN 0.782 nan 8.270 nan 0.000 0.459 19 A N 3.914 126.699 122.820 -0.058 0.000 2.393 19 A HA 0.748 5.067 4.320 -0.001 0.000 0.306 19 A C -1.357 176.125 177.584 -0.171 0.000 1.050 19 A CA -0.602 51.373 52.037 -0.103 0.000 0.724 19 A CB 1.033 19.936 19.000 -0.161 0.000 1.248 19 A HN 0.492 nan 8.150 nan 0.000 0.424 20 I N 2.351 122.793 120.570 -0.213 0.000 2.534 20 I HA 0.396 4.566 4.170 -0.001 0.000 0.288 20 I C -0.616 175.211 176.117 -0.483 0.000 1.077 20 I CA -0.009 61.039 61.300 -0.420 0.000 1.051 20 I CB 1.999 39.651 38.000 -0.579 0.000 1.234 20 I HN 0.545 nan 8.210 nan 0.000 0.425 21 I N 5.406 125.688 120.570 -0.479 0.000 2.353 21 I HA 0.440 4.609 4.170 -0.001 0.000 0.293 21 I C -0.919 175.000 176.117 -0.330 0.000 0.992 21 I CA -0.341 60.774 61.300 -0.308 0.000 1.268 21 I CB 0.756 38.601 38.000 -0.258 0.000 1.387 21 I HN 0.289 nan 8.210 nan 0.000 0.478 22 F N 3.335 123.388 119.950 0.172 0.000 2.546 22 F HA 0.332 4.859 4.527 -0.001 0.000 0.320 22 F C 0.250 176.321 175.800 0.453 0.000 1.076 22 F CA -0.910 57.262 58.000 0.287 0.000 0.928 22 F CB 1.392 40.593 39.000 0.336 0.000 1.189 22 F HN 0.488 nan 8.300 nan 0.000 0.465 23 D N 0.370 121.174 120.400 0.674 0.000 2.511 23 D HA 0.247 4.886 4.640 -0.001 0.000 0.276 23 D C 0.950 177.603 176.300 0.588 0.000 1.220 23 D CA -0.523 53.810 54.000 0.555 0.000 1.077 23 D CB 0.515 41.552 40.800 0.395 0.000 1.126 23 D HN 0.482 nan 8.370 nan 0.000 0.583 24 R N -1.233 119.452 120.500 0.307 0.000 2.236 24 R HA 0.062 4.402 4.340 -0.001 0.000 0.208 24 R C 0.749 177.335 176.300 0.477 0.000 1.036 24 R CA 0.581 56.718 56.100 0.061 0.000 1.001 24 R CB -0.246 29.780 30.300 -0.457 0.000 0.896 24 R HN 0.468 nan 8.270 nan 0.000 0.464 25 N N -1.137 117.793 118.700 0.383 0.000 2.336 25 N HA 0.076 4.815 4.740 -0.001 0.000 0.189 25 N C 0.525 176.258 175.510 0.370 0.000 1.113 25 N CA 0.578 53.825 53.050 0.329 0.000 0.858 25 N CB 1.144 39.754 38.487 0.205 0.000 0.970 25 N HN 0.259 nan 8.380 nan 0.000 0.471 26 G N 0.886 110.016 108.800 0.550 0.000 2.132 26 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.234 26 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.234 26 G C -0.017 175.151 174.900 0.447 0.000 0.989 26 G CA -0.222 45.152 45.100 0.457 0.000 0.676 26 G HN 0.309 nan 8.290 nan 0.000 0.522 27 K N 0.573 121.249 120.400 0.461 0.000 2.118 27 K HA 0.443 4.763 4.320 -0.001 0.000 0.267 27 K C 0.551 177.407 176.600 0.426 0.000 0.991 27 K CA -0.730 55.783 56.287 0.377 0.000 0.916 27 K CB 0.592 33.249 32.500 0.262 0.000 1.041 27 K HN 0.152 nan 8.250 nan 0.000 0.455 28 K N 5.115 125.681 120.400 0.276 0.000 2.378 28 K HA 0.046 4.365 4.320 -0.001 0.000 0.288 28 K C 0.673 177.281 176.600 0.013 0.000 1.057 28 K CA -0.216 56.080 56.287 0.015 0.000 0.971 28 K CB 0.390 32.859 32.500 -0.051 0.000 0.975 28 K HN 0.488 nan 8.250 nan 0.000 0.475 29 I N 2.687 123.235 120.570 -0.036 0.000 3.462 29 I HA 0.183 4.353 4.170 -0.001 0.000 0.290 29 I C 1.004 177.054 176.117 -0.112 0.000 1.236 29 I CA 0.276 61.550 61.300 -0.043 0.000 1.418 29 I CB -0.347 37.611 38.000 -0.071 0.000 1.102 29 I HN 0.736 nan 8.210 nan 0.000 0.441 30 G N 0.650 109.345 108.800 -0.174 0.000 2.733 30 G HA2 0.542 4.502 3.960 -0.001 0.000 0.297 30 G HA3 0.542 4.502 3.960 -0.001 0.000 0.297 30 G C -1.093 173.673 174.900 -0.223 0.000 1.452 30 G CA -0.090 44.903 45.100 -0.179 0.000 0.940 30 G HN 0.170 nan 8.290 nan 0.000 0.547 31 S N -0.849 114.747 115.700 -0.173 0.000 2.588 31 S HA 0.893 5.363 4.470 -0.001 0.000 0.269 31 S C -0.911 173.616 174.600 -0.123 0.000 1.157 31 S CA -0.479 57.619 58.200 -0.170 0.000 0.824 31 S CB 1.927 65.043 63.200 -0.141 0.000 1.126 31 S HN 1.851 nan 8.310 nan 0.000 0.464 32 S N 0.395 116.029 115.700 -0.110 0.000 2.537 32 S HA 0.669 5.139 4.470 -0.001 0.000 0.270 32 S C -2.058 172.512 174.600 -0.050 0.000 1.142 32 S CA -0.560 57.594 58.200 -0.077 0.000 0.870 32 S CB 1.487 64.629 63.200 -0.096 0.000 1.112 32 S HN 1.078 nan 8.310 nan 0.000 0.466 33 Q N 2.375 122.161 119.800 -0.022 0.000 2.379 33 Q HA 0.683 5.022 4.340 -0.001 0.000 0.278 33 Q C -1.671 174.341 176.000 0.019 0.000 1.068 33 Q CA -1.057 54.750 55.803 0.007 0.000 0.816 33 Q CB 2.146 30.896 28.738 0.020 0.000 1.387 33 Q HN 0.523 nan 8.270 nan 0.000 0.413 34 K N 1.796 122.224 120.400 0.048 0.000 2.589 34 K HA 0.231 4.550 4.320 -0.001 0.000 0.253 34 K C -1.290 175.379 176.600 0.114 0.000 0.974 34 K CA -0.273 56.048 56.287 0.057 0.000 0.835 34 K CB 2.210 34.736 32.500 0.042 0.000 1.272 34 K HN 0.799 nan 8.250 nan 0.000 0.444 35 E N 2.825 123.063 120.200 0.064 0.000 2.374 35 E HA 0.262 4.611 4.350 -0.001 0.000 0.260 35 E C -0.547 176.092 176.600 0.065 0.000 1.101 35 E CA -0.194 56.207 56.400 0.001 0.000 0.907 35 E CB 0.585 30.244 29.700 -0.067 0.000 1.014 35 E HN 0.361 nan 8.360 nan 0.000 0.427 36 F N -1.138 118.775 119.950 -0.062 0.000 2.629 36 F HA 0.625 5.152 4.527 -0.001 0.000 0.316 36 F C -2.809 172.909 175.800 -0.137 0.000 1.081 36 F CA -3.238 54.714 58.000 -0.080 0.000 0.954 36 F CB 0.190 39.143 39.000 -0.079 0.000 1.337 36 F HN 0.151 nan 8.300 nan 0.000 0.474 37 P HA 0.152 nan 4.420 nan 0.000 0.268 37 P C -1.202 175.784 177.300 -0.525 0.000 1.204 37 P CA -0.057 62.839 63.100 -0.339 0.000 0.768 37 P CB 0.609 32.124 31.700 -0.309 0.000 0.842 38 Q N 2.333 121.755 119.800 -0.628 0.000 2.282 38 Q HA 0.391 4.730 4.340 -0.001 0.000 0.260 38 Q C -0.890 174.486 176.000 -1.041 0.000 0.964 38 Q CA -0.361 55.059 55.803 -0.638 0.000 0.880 38 Q CB 1.343 29.831 28.738 -0.416 0.000 1.286 38 Q HN 0.447 nan 8.270 nan 0.000 0.445 39 Y N 1.036 120.966 120.300 -0.617 0.000 2.393 39 Y HA 0.496 5.045 4.550 -0.001 0.000 0.341 39 Y C -0.436 175.013 175.900 -0.752 0.000 0.988 39 Y CA -0.963 56.835 58.100 -0.503 0.000 1.078 39 Y CB 1.297 39.664 38.460 -0.155 0.000 1.203 39 Y HN 0.412 nan 8.280 nan 0.000 0.453 40 F N 3.348 123.412 119.950 0.189 0.000 2.769 40 F HA 0.367 4.894 4.527 -0.001 0.000 0.358 40 F C -1.968 173.877 175.800 0.076 0.000 1.285 40 F CA -2.005 56.065 58.000 0.118 0.000 1.199 40 F CB 0.891 39.923 39.000 0.054 0.000 1.558 40 F HN 0.341 nan 8.300 nan 0.000 0.583 41 P HA -0.007 nan 4.420 nan 0.000 0.222 41 P C -0.270 176.900 177.300 -0.216 0.000 1.153 41 P CA 1.097 64.213 63.100 0.027 0.000 0.798 41 P CB 0.560 32.291 31.700 0.053 0.000 0.796 42 K N -1.451 118.713 120.400 -0.393 0.000 2.509 42 K HA 0.385 4.705 4.320 -0.001 0.000 0.266 42 K C -0.497 175.956 176.600 -0.246 0.000 0.987 42 K CA -0.835 55.126 56.287 -0.544 0.000 0.868 42 K CB 1.756 33.517 32.500 -1.232 0.000 1.421 42 K HN -0.356 nan 8.250 nan 0.000 0.444 43 S N 0.216 115.827 115.700 -0.148 0.000 2.596 43 S HA 0.207 4.677 4.470 -0.001 0.000 0.298 43 S C 1.097 175.757 174.600 0.099 0.000 1.255 43 S CA 1.730 59.915 58.200 -0.025 0.000 1.083 43 S CB -0.731 62.449 63.200 -0.034 0.000 0.837 43 S HN 0.863 nan 8.310 nan 0.000 0.499 44 G N 4.266 113.160 108.800 0.157 0.000 2.194 44 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.236 44 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.236 44 G C -0.221 174.892 174.900 0.356 0.000 0.987 44 G CA -0.012 45.220 45.100 0.221 0.000 0.635 44 G HN 0.594 nan 8.290 nan 0.000 0.520 45 W N 0.029 121.332 121.300 0.004 0.000 2.449 45 W HA 0.736 5.395 4.660 -0.001 0.000 0.331 45 W C 0.076 176.617 176.519 0.036 0.000 1.119 45 W CA -1.226 56.092 57.345 -0.045 0.000 1.240 45 W CB 1.547 30.974 29.460 -0.055 0.000 1.251 45 W HN 0.237 nan 8.180 nan 0.000 0.576 46 V N 2.241 122.213 119.914 0.097 0.000 2.711 46 V HA 0.390 4.510 4.120 -0.001 0.000 0.304 46 V C -0.555 175.424 176.094 -0.191 0.000 1.097 46 V CA -1.166 61.114 62.300 -0.033 0.000 0.906 46 V CB 1.818 33.589 31.823 -0.086 0.000 1.015 46 V HN 0.518 nan 8.190 nan 0.000 0.427 47 E N 1.667 121.754 120.200 -0.188 0.000 2.393 47 E HA 0.625 4.975 4.350 -0.001 0.000 0.273 47 E C -1.522 175.100 176.600 0.036 0.000 0.918 47 E CA -0.907 55.420 56.400 -0.121 0.000 0.773 47 E CB 2.944 32.650 29.700 0.010 0.000 1.275 47 E HN 0.819 nan 8.360 nan 0.000 0.451 48 H N 0.186 119.349 119.070 0.155 0.000 2.731 48 H HA 0.288 4.844 4.556 -0.001 0.000 0.368 48 H C -0.547 174.916 175.328 0.226 0.000 1.168 48 H CA -1.108 55.113 56.048 0.288 0.000 1.181 48 H CB 1.575 31.509 29.762 0.287 0.000 1.743 48 H HN 0.220 nan 8.280 nan 0.000 0.547 49 N N 1.319 120.292 118.700 0.455 0.000 2.414 49 N HA 0.070 4.810 4.740 -0.001 0.000 0.256 49 N C 0.563 176.152 175.510 0.131 0.000 1.029 49 N CA -0.035 53.144 53.050 0.215 0.000 0.948 49 N CB 1.418 40.060 38.487 0.258 0.000 1.102 49 N HN 0.787 nan 8.380 nan 0.000 0.496 50 A N 4.469 127.273 122.820 -0.026 0.000 2.024 50 A HA -0.173 4.147 4.320 -0.001 0.000 0.220 50 A C 1.771 179.492 177.584 0.227 0.000 1.164 50 A CA 1.143 53.094 52.037 -0.144 0.000 0.643 50 A CB -0.187 18.298 19.000 -0.858 0.000 0.806 50 A HN 0.733 nan 8.150 nan 0.000 0.451 51 N N -0.054 118.794 118.700 0.246 0.000 2.216 51 N HA -0.099 4.641 4.740 -0.001 0.000 0.183 51 N C 1.585 177.270 175.510 0.291 0.000 1.017 51 N CA 1.406 54.682 53.050 0.377 0.000 0.861 51 N CB -0.316 38.338 38.487 0.279 0.000 0.986 51 N HN 0.681 nan 8.380 nan 0.000 0.428 52 E N 0.651 120.970 120.200 0.198 0.000 2.106 52 E HA -0.034 4.315 4.350 -0.001 0.000 0.192 52 E C 1.979 178.590 176.600 0.018 0.000 0.984 52 E CA 0.450 56.935 56.400 0.142 0.000 0.806 52 E CB -0.019 29.807 29.700 0.211 0.000 0.750 52 E HN 0.317 nan 8.360 nan 0.000 0.458 53 I N 1.020 121.531 120.570 -0.099 0.000 2.118 53 I HA -0.300 3.870 4.170 -0.001 0.000 0.241 53 I C 2.466 178.581 176.117 -0.004 0.000 1.070 53 I CA 1.350 62.432 61.300 -0.364 0.000 1.327 53 I CB -0.406 37.411 38.000 -0.305 0.000 1.034 53 I HN 0.408 nan 8.210 nan 0.000 0.405 54 W N 2.266 123.597 121.300 0.053 0.000 2.338 54 W HA -0.247 4.412 4.660 -0.001 0.000 0.304 54 W C 2.133 178.652 176.519 -0.000 0.000 1.212 54 W CA 1.435 58.797 57.345 0.029 0.000 1.264 54 W CB -0.289 29.200 29.460 0.048 0.000 1.142 54 W HN 0.198 nan 8.180 nan 0.000 0.512 55 N N 0.736 119.335 118.700 -0.168 0.000 2.188 55 N HA -0.182 4.557 4.740 -0.001 0.000 0.184 55 N C 2.064 177.436 175.510 -0.230 0.000 1.018 55 N CA 2.195 55.067 53.050 -0.296 0.000 0.858 55 N CB -0.931 37.495 38.487 -0.101 0.000 0.989 55 N HN 0.248 nan 8.380 nan 0.000 0.426 56 S N 0.055 115.678 115.700 -0.127 0.000 2.383 56 S HA -0.082 4.387 4.470 -0.001 0.000 0.229 56 S C 2.114 176.639 174.600 -0.126 0.000 1.030 56 S CA 1.119 59.274 58.200 -0.074 0.000 1.002 56 S CB -0.741 62.471 63.200 0.019 0.000 0.829 56 S HN 0.035 nan 8.310 nan 0.000 0.467 57 V N 2.247 122.057 119.914 -0.174 0.000 2.358 57 V HA -0.160 3.959 4.120 -0.001 0.000 0.246 57 V C 2.924 178.845 176.094 -0.288 0.000 1.047 57 V CA 2.047 64.252 62.300 -0.157 0.000 1.035 57 V CB -0.920 30.890 31.823 -0.021 0.000 0.658 57 V HN 0.568 nan 8.190 nan 0.000 0.452 58 Q N -0.362 119.118 119.800 -0.533 0.000 2.084 58 Q HA -0.170 4.169 4.340 -0.001 0.000 0.202 58 Q C 2.511 178.360 176.000 -0.252 0.000 0.978 58 Q CA 1.816 57.336 55.803 -0.472 0.000 0.844 58 Q CB -0.315 28.081 28.738 -0.571 0.000 0.898 58 Q HN 0.567 nan 8.270 nan 0.000 0.426 59 S N 0.797 116.375 115.700 -0.204 0.000 2.359 59 S HA -0.172 4.297 4.470 -0.001 0.000 0.223 59 S C 2.223 176.756 174.600 -0.111 0.000 1.039 59 S CA 1.801 59.930 58.200 -0.118 0.000 1.042 59 S CB -0.421 62.729 63.200 -0.083 0.000 0.915 59 S HN 0.484 nan 8.310 nan 0.000 0.439 60 V N -0.372 119.470 119.914 -0.121 0.000 2.719 60 V HA 0.002 4.121 4.120 -0.001 0.000 0.252 60 V C 1.912 177.896 176.094 -0.183 0.000 1.065 60 V CA 0.740 62.969 62.300 -0.117 0.000 1.086 60 V CB -0.801 30.977 31.823 -0.076 0.000 0.700 60 V HN 0.238 nan 8.190 nan 0.000 0.467 61 I N 2.203 122.637 120.570 -0.227 0.000 2.113 61 I HA -0.126 4.044 4.170 -0.001 0.000 0.238 61 I C 2.986 178.905 176.117 -0.331 0.000 1.070 61 I CA 1.652 62.733 61.300 -0.365 0.000 1.332 61 I CB -1.853 35.865 38.000 -0.471 0.000 1.044 61 I HN 0.345 nan 8.210 nan 0.000 0.402 62 A N 0.798 123.503 122.820 -0.192 0.000 1.892 62 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 62 A C 2.512 180.060 177.584 -0.060 0.000 1.188 62 A CA 2.288 54.282 52.037 -0.072 0.000 0.631 62 A CB -1.542 17.430 19.000 -0.046 0.000 0.822 62 A HN 0.469 nan 8.150 nan 0.000 0.447 63 G N -0.937 107.806 108.800 -0.095 0.000 2.432 63 G HA2 0.022 3.981 3.960 -0.001 0.000 0.219 63 G HA3 0.022 3.981 3.960 -0.001 0.000 0.219 63 G C 1.669 176.501 174.900 -0.113 0.000 1.135 63 G CA 1.435 46.486 45.100 -0.083 0.000 0.767 63 G HN 0.853 nan 8.290 nan 0.000 0.550 64 A N 0.216 122.913 122.820 -0.206 0.000 1.929 64 A HA 0.222 4.541 4.320 -0.001 0.000 0.216 64 A C 2.110 179.558 177.584 -0.226 0.000 1.176 64 A CA 1.076 52.955 52.037 -0.264 0.000 0.628 64 A CB -0.412 18.346 19.000 -0.405 0.000 0.816 64 A HN 0.235 nan 8.150 nan 0.000 0.444 65 F N 0.083 119.944 119.950 -0.149 0.000 2.084 65 F HA -0.055 4.471 4.527 -0.001 0.000 0.296 65 F C 2.184 177.911 175.800 -0.122 0.000 1.111 65 F CA 0.916 58.828 58.000 -0.147 0.000 1.224 65 F CB -0.675 38.221 39.000 -0.172 0.000 0.991 65 F HN 0.098 nan 8.300 nan 0.000 0.471 66 I N -0.313 120.304 120.570 0.078 0.000 2.226 66 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 66 I C 2.162 178.276 176.117 -0.006 0.000 1.100 66 I CA 1.211 62.524 61.300 0.021 0.000 1.374 66 I CB -0.364 37.637 38.000 0.001 0.000 1.057 66 I HN 0.051 nan 8.210 nan 0.000 0.413 67 E N 0.411 120.594 120.200 -0.029 0.000 2.285 67 E HA -0.100 4.249 4.350 -0.001 0.000 0.194 67 E C 2.292 178.865 176.600 -0.045 0.000 0.997 67 E CA 1.364 57.741 56.400 -0.039 0.000 0.845 67 E CB -0.123 29.546 29.700 -0.053 0.000 0.782 67 E HN 0.545 nan 8.360 nan 0.000 0.491 68 S N -1.165 114.501 115.700 -0.056 0.000 2.456 68 S HA 0.179 4.649 4.470 -0.001 0.000 0.224 68 S C 1.755 176.323 174.600 -0.054 0.000 1.035 68 S CA 0.786 58.938 58.200 -0.080 0.000 0.940 68 S CB 0.365 63.479 63.200 -0.144 0.000 0.799 68 S HN 0.258 nan 8.310 nan 0.000 0.508 69 G N 0.941 109.730 108.800 -0.018 0.000 2.175 69 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.244 69 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.244 69 G C 0.019 174.916 174.900 -0.005 0.000 0.982 69 G CA 0.181 45.275 45.100 -0.009 0.000 0.641 69 G HN 0.463 nan 8.290 nan 0.000 0.527 70 I N 0.619 121.195 120.570 0.009 0.000 2.677 70 I HA 0.603 4.773 4.170 -0.001 0.000 0.305 70 I C 0.714 176.885 176.117 0.090 0.000 0.988 70 I CA -0.670 60.638 61.300 0.012 0.000 1.260 70 I CB 1.164 39.089 38.000 -0.126 0.000 1.410 70 I HN 0.026 nan 8.210 nan 0.000 0.523 71 R N 4.107 124.589 120.500 -0.030 0.000 2.803 71 R HA 0.360 4.700 4.340 -0.001 0.000 0.276 71 R C -1.894 174.174 176.300 -0.387 0.000 0.978 71 R CA -1.751 54.158 56.100 -0.317 0.000 0.939 71 R CB 1.052 31.240 30.300 -0.188 0.000 1.179 71 R HN 0.193 nan 8.270 nan 0.000 0.472 72 P HA -0.243 nan 4.420 nan 0.000 0.216 72 P C 0.836 178.130 177.300 -0.010 0.000 1.154 72 P CA 1.558 64.469 63.100 -0.314 0.000 0.865 72 P CB 0.184 31.722 31.700 -0.270 0.000 0.789 73 E N -0.201 119.970 120.200 -0.048 0.000 2.267 73 E HA -0.130 4.220 4.350 -0.001 0.000 0.197 73 E C 1.490 178.122 176.600 0.053 0.000 0.998 73 E CA 1.147 57.548 56.400 0.003 0.000 0.830 73 E CB -0.810 28.883 29.700 -0.013 0.000 0.751 73 E HN 0.163 nan 8.360 nan 0.000 0.491 74 A N 1.155 124.035 122.820 0.100 0.000 2.302 74 A HA 0.180 4.499 4.320 -0.001 0.000 0.219 74 A C 0.499 178.225 177.584 0.236 0.000 1.243 74 A CA -0.168 51.983 52.037 0.189 0.000 0.856 74 A CB 0.069 19.241 19.000 0.285 0.000 0.893 74 A HN 0.133 nan 8.150 nan 0.000 0.491 75 I N 0.349 121.029 120.570 0.183 0.000 2.312 75 I HA 0.297 4.467 4.170 -0.001 0.000 0.290 75 I C 1.328 177.458 176.117 0.022 0.000 1.008 75 I CA -0.284 61.111 61.300 0.158 0.000 1.226 75 I CB 0.731 38.888 38.000 0.262 0.000 1.371 75 I HN 0.201 nan 8.210 nan 0.000 0.468 76 A N 5.131 127.890 122.820 -0.102 0.000 2.016 76 A HA 0.451 4.770 4.320 -0.001 0.000 0.217 76 A C 1.047 178.547 177.584 -0.141 0.000 1.162 76 A CA 1.048 53.005 52.037 -0.133 0.000 0.662 76 A CB -0.036 18.817 19.000 -0.244 0.000 0.812 76 A HN 0.797 nan 8.150 nan 0.000 0.450 77 G N -1.616 107.078 108.800 -0.176 0.000 2.576 77 G HA2 0.488 4.447 3.960 -0.001 0.000 0.290 77 G HA3 0.488 4.447 3.960 -0.001 0.000 0.290 77 G C -1.390 173.455 174.900 -0.091 0.000 1.442 77 G CA -0.562 44.467 45.100 -0.119 0.000 0.792 77 G HN -0.009 nan 8.290 nan 0.000 0.491 78 I N 1.040 121.565 120.570 -0.075 0.000 2.404 78 I HA 0.558 4.728 4.170 -0.001 0.000 0.293 78 I C 0.831 176.967 176.117 0.031 0.000 0.992 78 I CA -0.496 60.787 61.300 -0.030 0.000 1.149 78 I CB 1.029 38.970 38.000 -0.098 0.000 1.315 78 I HN 0.636 nan 8.210 nan 0.000 0.446 79 G N 6.381 115.226 108.800 0.075 0.000 2.417 79 G HA2 0.779 4.739 3.960 -0.001 0.000 0.334 79 G HA3 0.779 4.739 3.960 -0.001 0.000 0.334 79 G C -0.854 174.098 174.900 0.086 0.000 1.150 79 G CA -0.436 44.718 45.100 0.090 0.000 0.923 79 G HN 0.478 nan 8.290 nan 0.000 0.485 80 I N 0.475 121.087 120.570 0.069 0.000 2.499 80 I HA 0.451 4.621 4.170 -0.001 0.000 0.288 80 I C -0.278 175.864 176.117 0.042 0.000 1.048 80 I CA -0.438 60.895 61.300 0.055 0.000 1.062 80 I CB 2.732 40.748 38.000 0.027 0.000 1.238 80 I HN 0.494 nan 8.210 nan 0.000 0.426 81 T N 5.812 120.401 114.554 0.058 0.000 2.900 81 T HA 0.596 4.946 4.350 -0.001 0.000 0.303 81 T C -1.764 172.978 174.700 0.071 0.000 1.142 81 T CA -0.670 61.462 62.100 0.052 0.000 1.007 81 T CB 1.481 70.382 68.868 0.054 0.000 1.156 81 T HN 0.823 nan 8.240 nan 0.000 0.490 82 N N 1.886 120.625 118.700 0.064 0.000 2.598 82 N HA 0.194 4.933 4.740 -0.001 0.000 0.263 82 N C -1.264 174.296 175.510 0.083 0.000 1.254 82 N CA -0.888 52.219 53.050 0.096 0.000 0.863 82 N CB 1.416 39.962 38.487 0.098 0.000 1.586 82 N HN 0.786 nan 8.380 nan 0.000 0.491 83 Q N 0.878 120.771 119.800 0.156 0.000 2.283 83 Q HA 0.137 4.476 4.340 -0.001 0.000 0.301 83 Q C -0.322 175.744 176.000 0.109 0.000 1.063 83 Q CA 0.251 56.152 55.803 0.163 0.000 0.952 83 Q CB 0.772 29.799 28.738 0.482 0.000 1.166 83 Q HN 0.422 nan 8.270 nan 0.000 0.381 84 R N 1.717 122.181 120.500 -0.059 0.000 2.527 84 R HA 0.164 4.503 4.340 -0.001 0.000 0.243 84 R C 0.113 176.477 176.300 0.107 0.000 1.206 84 R CA -0.335 55.758 56.100 -0.011 0.000 1.134 84 R CB 0.382 30.616 30.300 -0.110 0.000 1.347 84 R HN 0.909 nan 8.270 nan 0.000 0.580 85 E N -1.523 118.747 120.200 0.116 0.000 5.150 85 E HA -0.242 4.108 4.350 -0.001 0.000 0.167 85 E C -0.376 176.368 176.600 0.240 0.000 1.196 85 E CA 2.184 58.685 56.400 0.168 0.000 2.189 85 E CB -1.425 28.297 29.700 0.038 0.000 1.820 85 E HN 0.611 nan 8.360 nan 0.000 0.420 86 T N 1.749 116.472 114.554 0.282 0.000 2.905 86 T HA 0.198 4.548 4.350 -0.001 0.000 0.299 86 T C 0.029 174.840 174.700 0.184 0.000 1.024 86 T CA 1.107 63.351 62.100 0.239 0.000 1.151 86 T CB 0.464 69.511 68.868 0.299 0.000 0.987 86 T HN 0.127 nan 8.240 nan 0.000 0.535 87 T N 3.676 118.321 114.554 0.150 0.000 2.824 87 T HA 0.559 4.909 4.350 -0.001 0.000 0.282 87 T C -0.533 174.238 174.700 0.117 0.000 0.993 87 T CA -0.566 61.667 62.100 0.221 0.000 0.967 87 T CB 1.199 70.245 68.868 0.297 0.000 0.960 87 T HN 0.346 nan 8.240 nan 0.000 0.441 88 V N 3.576 123.549 119.914 0.098 0.000 2.540 88 V HA 0.673 4.793 4.120 -0.001 0.000 0.302 88 V C -0.492 175.707 176.094 0.175 0.000 1.035 88 V CA -0.784 61.525 62.300 0.016 0.000 0.873 88 V CB 1.975 33.658 31.823 -0.233 0.000 0.992 88 V HN 0.667 nan 8.190 nan 0.000 0.428 89 V N 4.314 124.297 119.914 0.116 0.000 2.588 89 V HA 0.681 4.801 4.120 -0.001 0.000 0.304 89 V C -0.857 175.290 176.094 0.088 0.000 1.042 89 V CA -0.509 61.826 62.300 0.059 0.000 0.877 89 V CB 1.804 33.643 31.823 0.028 0.000 0.996 89 V HN 1.067 nan 8.190 nan 0.000 0.425 90 W N 2.136 123.315 121.300 -0.201 0.000 3.032 90 W HA 0.736 5.395 4.660 -0.001 0.000 0.341 90 W C -0.993 175.423 176.519 -0.171 0.000 1.202 90 W CA -1.197 56.034 57.345 -0.191 0.000 1.132 90 W CB 0.988 30.332 29.460 -0.193 0.000 1.465 90 W HN 0.547 nan 8.180 nan 0.000 0.576 91 D N 1.558 122.035 120.400 0.129 0.000 2.336 91 D HA 0.092 4.731 4.640 -0.001 0.000 0.249 91 D C 1.450 177.808 176.300 0.097 0.000 1.213 91 D CA -0.155 53.870 54.000 0.042 0.000 0.870 91 D CB 1.235 42.087 40.800 0.086 0.000 1.076 91 D HN 0.508 nan 8.370 nan 0.000 0.483 92 K N 1.217 121.580 120.400 -0.061 0.000 2.286 92 K HA -0.211 4.109 4.320 -0.001 0.000 0.203 92 K C 1.372 178.175 176.600 0.338 0.000 1.045 92 K CA 1.773 58.096 56.287 0.060 0.000 0.935 92 K CB -0.361 32.138 32.500 -0.001 0.000 0.737 92 K HN 0.481 nan 8.250 nan 0.000 0.460 93 T N -1.994 112.690 114.554 0.216 0.000 3.046 93 T HA -0.054 4.296 4.350 -0.001 0.000 0.242 93 T C 2.214 177.035 174.700 0.201 0.000 1.018 93 T CA 0.789 63.010 62.100 0.201 0.000 1.131 93 T CB -0.418 68.519 68.868 0.116 0.000 0.904 93 T HN 0.361 nan 8.240 nan 0.000 0.459 94 T N -1.176 113.488 114.554 0.184 0.000 3.035 94 T HA 0.332 4.681 4.350 -0.001 0.000 0.268 94 T C 2.075 176.921 174.700 0.242 0.000 1.109 94 T CA 1.057 63.262 62.100 0.175 0.000 1.119 94 T CB -0.870 68.080 68.868 0.137 0.000 0.900 94 T HN 1.150 nan 8.240 nan 0.000 0.503 95 G N 0.612 109.635 108.800 0.372 0.000 2.184 95 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.264 95 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.264 95 G C -0.083 175.035 174.900 0.363 0.000 0.975 95 G CA 0.066 45.429 45.100 0.439 0.000 0.642 95 G HN 0.643 nan 8.290 nan 0.000 0.536 96 Q N 0.424 120.402 119.800 0.297 0.000 2.271 96 Q HA 0.452 4.791 4.340 -0.001 0.000 0.258 96 Q C -2.479 173.642 176.000 0.202 0.000 0.936 96 Q CA -2.007 53.935 55.803 0.231 0.000 0.909 96 Q CB 1.720 30.551 28.738 0.156 0.000 1.253 96 Q HN 0.177 nan 8.270 nan 0.000 0.440 97 P HA 0.047 nan 4.420 nan 0.000 0.268 97 P C 0.776 178.097 177.300 0.035 0.000 1.205 97 P CA 0.173 63.271 63.100 -0.004 0.000 0.771 97 P CB 0.386 31.983 31.700 -0.172 0.000 0.858 98 I N 0.090 120.680 120.570 0.034 0.000 3.291 98 I HA 0.368 4.538 4.170 -0.001 0.000 0.279 98 I C 0.567 176.702 176.117 0.030 0.000 1.294 98 I CA 0.450 61.769 61.300 0.030 0.000 1.428 98 I CB -0.184 37.825 38.000 0.017 0.000 1.070 98 I HN 0.215 nan 8.210 nan 0.000 0.478 99 A N 0.509 123.342 122.820 0.021 0.000 2.415 99 A HA 0.372 4.691 4.320 -0.001 0.000 0.294 99 A C -1.094 176.491 177.584 0.002 0.000 1.019 99 A CA -0.835 51.222 52.037 0.034 0.000 0.603 99 A CB 0.015 19.069 19.000 0.092 0.000 1.382 99 A HN 0.134 nan 8.150 nan 0.000 0.483 100 N N 0.829 119.531 118.700 0.003 0.000 2.345 100 N HA 0.389 5.128 4.740 -0.001 0.000 0.243 100 N C 0.581 176.078 175.510 -0.021 0.000 1.246 100 N CA 1.008 54.047 53.050 -0.018 0.000 0.863 100 N CB 0.629 39.099 38.487 -0.028 0.000 1.096 100 N HN 1.121 nan 8.380 nan 0.000 0.446 101 A N 2.274 125.073 122.820 -0.035 0.000 2.520 101 A HA 0.191 4.511 4.320 -0.001 0.000 0.235 101 A C 0.384 177.933 177.584 -0.058 0.000 1.065 101 A CA 0.196 52.209 52.037 -0.040 0.000 0.764 101 A CB -0.094 18.890 19.000 -0.027 0.000 1.002 101 A HN 0.661 nan 8.150 nan 0.000 0.502 102 I N 2.269 122.795 120.570 -0.073 0.000 2.362 102 I HA 0.252 4.422 4.170 -0.001 0.000 0.289 102 I C -0.289 175.745 176.117 -0.138 0.000 0.994 102 I CA -0.655 60.548 61.300 -0.162 0.000 1.158 102 I CB 1.771 39.638 38.000 -0.222 0.000 1.315 102 I HN 0.371 nan 8.210 nan 0.000 0.451 103 V N 5.982 125.749 119.914 -0.246 0.000 2.834 103 V HA 0.020 4.139 4.120 -0.001 0.000 0.301 103 V C 1.167 177.188 176.094 -0.122 0.000 1.066 103 V CA -0.409 61.733 62.300 -0.263 0.000 1.052 103 V CB 1.044 32.507 31.823 -0.601 0.000 1.021 103 V HN 0.955 nan 8.190 nan 0.000 0.480 104 W N 1.776 123.112 121.300 0.059 0.000 2.341 104 W HA -0.211 4.449 4.660 -0.001 0.000 0.283 104 W C 1.276 177.882 176.519 0.145 0.000 1.215 104 W CA 1.178 58.615 57.345 0.153 0.000 1.211 104 W CB -0.721 28.909 29.460 0.284 0.000 1.131 104 W HN 0.675 nan 8.180 nan 0.000 0.552 105 Q N 1.043 120.454 119.800 -0.649 0.000 2.224 105 Q HA -0.073 4.266 4.340 -0.001 0.000 0.203 105 Q C 1.470 177.308 176.000 -0.271 0.000 0.970 105 Q CA 0.944 56.377 55.803 -0.617 0.000 0.865 105 Q CB -0.099 28.171 28.738 -0.779 0.000 0.922 105 Q HN 0.088 nan 8.270 nan 0.000 0.445 106 S N -0.181 115.381 115.700 -0.230 0.000 2.593 106 S HA 0.155 4.624 4.470 -0.001 0.000 0.269 106 S C 0.563 175.048 174.600 -0.191 0.000 1.334 106 S CA -0.306 57.779 58.200 -0.191 0.000 1.015 106 S CB 0.532 63.560 63.200 -0.286 0.000 0.912 106 S HN 0.160 nan 8.310 nan 0.000 0.541 107 R N 1.647 122.038 120.500 -0.183 0.000 2.659 107 R HA 0.091 4.430 4.340 -0.001 0.000 0.418 107 R C 1.520 177.661 176.300 -0.266 0.000 1.076 107 R CA -0.066 55.934 56.100 -0.166 0.000 1.093 107 R CB -0.096 30.160 30.300 -0.073 0.000 1.400 107 R HN 0.868 nan 8.270 nan 0.000 0.583 108 Q N 0.214 119.653 119.800 -0.602 0.000 2.181 108 Q HA -0.097 4.243 4.340 -0.001 0.000 0.205 108 Q C 0.929 176.548 176.000 -0.635 0.000 0.980 108 Q CA 2.113 57.282 55.803 -1.056 0.000 0.862 108 Q CB -0.078 27.261 28.738 -2.332 0.000 0.905 108 Q HN 0.110 nan 8.270 nan 0.000 0.429 109 S N 0.312 115.730 115.700 -0.470 0.000 2.634 109 S HA 0.088 4.557 4.470 -0.001 0.000 0.221 109 S C 1.657 176.249 174.600 -0.012 0.000 0.952 109 S CA 0.128 58.251 58.200 -0.129 0.000 0.930 109 S CB 0.319 63.472 63.200 -0.078 0.000 0.780 109 S HN 0.495 nan 8.310 nan 0.000 0.498 110 S N 2.415 118.094 115.700 -0.036 0.000 2.419 110 S HA 0.028 4.498 4.470 -0.001 0.000 0.235 110 S C -0.903 173.733 174.600 0.061 0.000 1.019 110 S CA 0.719 58.933 58.200 0.024 0.000 0.982 110 S CB -1.769 61.442 63.200 0.018 0.000 0.789 110 S HN 0.443 nan 8.310 nan 0.000 0.490 111 P HA 0.058 nan 4.420 nan 0.000 0.218 111 P C 1.286 178.633 177.300 0.079 0.000 1.149 111 P CA 0.817 63.966 63.100 0.081 0.000 0.817 111 P CB -0.110 31.649 31.700 0.099 0.000 0.785 112 I N -0.630 119.993 120.570 0.089 0.000 2.202 112 I HA -0.235 3.934 4.170 -0.001 0.000 0.242 112 I C 2.339 178.505 176.117 0.081 0.000 1.091 112 I CA 1.511 62.860 61.300 0.081 0.000 1.368 112 I CB -0.828 37.227 38.000 0.092 0.000 1.058 112 I HN -0.098 nan 8.210 nan 0.000 0.410 113 A N 0.463 123.335 122.820 0.087 0.000 1.902 113 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 113 A C 1.957 179.599 177.584 0.098 0.000 1.181 113 A CA 2.017 54.115 52.037 0.102 0.000 0.623 113 A CB -0.638 18.431 19.000 0.115 0.000 0.818 113 A HN 0.359 nan 8.150 nan 0.000 0.443 114 D N -0.780 119.671 120.400 0.085 0.000 2.123 114 D HA -0.186 4.454 4.640 -0.001 0.000 0.196 114 D C 2.032 178.373 176.300 0.069 0.000 0.992 114 D CA 1.851 55.896 54.000 0.075 0.000 0.833 114 D CB -0.417 40.421 40.800 0.064 0.000 0.954 114 D HN 0.558 nan 8.370 nan 0.000 0.455 115 Q N 0.391 120.232 119.800 0.068 0.000 2.167 115 Q HA -0.018 4.322 4.340 -0.001 0.000 0.202 115 Q C 2.170 178.222 176.000 0.086 0.000 0.970 115 Q CA 0.713 56.555 55.803 0.065 0.000 0.855 115 Q CB -0.332 28.442 28.738 0.059 0.000 0.911 115 Q HN 0.296 nan 8.270 nan 0.000 0.438 116 L N -0.199 121.089 121.223 0.109 0.000 2.131 116 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 116 L C 2.235 179.189 176.870 0.140 0.000 1.092 116 L CA 1.402 56.342 54.840 0.167 0.000 0.759 116 L CB -0.260 41.888 42.059 0.147 0.000 0.903 116 L HN 0.194 nan 8.230 nan 0.000 0.435 117 K N -0.686 119.770 120.400 0.093 0.000 2.044 117 K HA -0.090 4.230 4.320 -0.001 0.000 0.204 117 K C 2.053 178.665 176.600 0.019 0.000 1.049 117 K CA 0.889 57.212 56.287 0.061 0.000 0.945 117 K CB -0.177 32.364 32.500 0.068 0.000 0.724 117 K HN 0.023 nan 8.250 nan 0.000 0.440 118 V N 2.597 122.526 119.914 0.025 0.000 2.250 118 V HA -0.299 3.821 4.120 -0.001 0.000 0.250 118 V C 1.303 177.377 176.094 -0.034 0.000 1.060 118 V CA 2.074 64.376 62.300 0.004 0.000 1.030 118 V CB -0.415 31.419 31.823 0.018 0.000 0.643 118 V HN 0.333 nan 8.190 nan 0.000 0.445 119 D N -0.172 120.201 120.400 -0.043 0.000 2.378 119 D HA 0.140 4.780 4.640 -0.001 0.000 0.227 119 D C 1.569 177.646 176.300 -0.371 0.000 1.012 119 D CA 1.099 55.021 54.000 -0.130 0.000 0.905 119 D CB -0.073 40.718 40.800 -0.015 0.000 0.895 119 D HN 0.633 nan 8.370 nan 0.000 0.532 120 G N 1.085 109.727 108.800 -0.263 0.000 2.171 120 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.238 120 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.238 120 G C 0.501 175.232 174.900 -0.281 0.000 1.039 120 G CA -0.257 44.689 45.100 -0.256 0.000 0.759 120 G HN 0.415 nan 8.290 nan 0.000 0.501 121 H N -0.409 118.674 119.070 0.022 0.000 2.594 121 H HA 0.208 4.763 4.556 -0.001 0.000 0.279 121 H C 2.265 177.611 175.328 0.030 0.000 1.042 121 H CA 0.829 56.891 56.048 0.022 0.000 1.177 121 H CB 0.302 30.077 29.762 0.022 0.000 1.524 121 H HN 0.360 nan 8.280 nan 0.000 0.537 122 T N 0.860 115.473 114.554 0.098 0.000 2.674 122 T HA -0.175 4.175 4.350 -0.001 0.000 0.265 122 T C 2.045 176.800 174.700 0.091 0.000 1.039 122 T CA 1.845 63.996 62.100 0.087 0.000 1.150 122 T CB 0.244 69.142 68.868 0.050 0.000 0.864 122 T HN 0.356 nan 8.240 nan 0.000 0.427 123 E N 1.317 121.559 120.200 0.070 0.000 2.051 123 E HA -0.116 4.234 4.350 -0.001 0.000 0.192 123 E C 2.183 178.838 176.600 0.091 0.000 0.991 123 E CA 1.280 57.726 56.400 0.077 0.000 0.799 123 E CB -0.521 29.204 29.700 0.042 0.000 0.748 123 E HN 0.497 nan 8.360 nan 0.000 0.449 124 M N -0.113 119.539 119.600 0.086 0.000 2.089 124 M HA -0.205 4.274 4.480 -0.001 0.000 0.257 124 M C 1.485 177.817 176.300 0.054 0.000 1.071 124 M CA 1.827 57.171 55.300 0.073 0.000 1.096 124 M CB -0.166 32.500 32.600 0.109 0.000 1.330 124 M HN 0.212 nan 8.290 nan 0.000 0.403 125 I N -0.315 120.297 120.570 0.070 0.000 2.252 125 I HA -0.249 3.920 4.170 -0.001 0.000 0.245 125 I C 2.448 178.575 176.117 0.017 0.000 1.102 125 I CA 1.780 63.100 61.300 0.033 0.000 1.385 125 I CB -2.090 35.937 38.000 0.046 0.000 1.064 125 I HN 0.491 nan 8.210 nan 0.000 0.414 126 H N 1.351 120.408 119.070 -0.020 0.000 2.321 126 H HA -0.145 4.411 4.556 -0.001 0.000 0.300 126 H C 2.158 177.481 175.328 -0.008 0.000 1.087 126 H CA 2.091 58.119 56.048 -0.034 0.000 1.319 126 H CB 0.063 29.803 29.762 -0.035 0.000 1.379 126 H HN 0.325 nan 8.280 nan 0.000 0.501 127 E N 0.113 120.295 120.200 -0.030 0.000 2.070 127 E HA -0.216 4.134 4.350 -0.001 0.000 0.197 127 E C 2.134 178.696 176.600 -0.063 0.000 1.004 127 E CA 1.590 57.938 56.400 -0.087 0.000 0.805 127 E CB 0.026 29.704 29.700 -0.037 0.000 0.744 127 E HN 0.517 nan 8.360 nan 0.000 0.451 128 K N -0.571 119.812 120.400 -0.029 0.000 2.076 128 K HA -0.053 4.267 4.320 -0.001 0.000 0.204 128 K C 2.226 178.817 176.600 -0.015 0.000 1.051 128 K CA 1.654 57.951 56.287 0.017 0.000 0.949 128 K CB 0.139 32.627 32.500 -0.019 0.000 0.726 128 K HN 0.184 nan 8.250 nan 0.000 0.443 129 T N -4.286 110.206 114.554 -0.102 0.000 2.990 129 T HA 0.233 4.582 4.350 -0.001 0.000 0.249 129 T C 1.448 176.025 174.700 -0.204 0.000 1.039 129 T CA 0.382 62.396 62.100 -0.143 0.000 1.036 129 T CB 0.855 69.631 68.868 -0.154 0.000 0.994 129 T HN 0.287 nan 8.240 nan 0.000 0.489 130 G N 1.401 110.021 108.800 -0.301 0.000 2.176 130 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.253 130 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.253 130 G C -0.084 174.659 174.900 -0.261 0.000 0.979 130 G CA 0.378 45.254 45.100 -0.373 0.000 0.641 130 G HN 0.635 nan 8.290 nan 0.000 0.530 131 L N 0.060 121.136 121.223 -0.246 0.000 2.298 131 L HA 0.847 5.187 4.340 -0.001 0.000 0.268 131 L C 0.918 177.736 176.870 -0.086 0.000 1.010 131 L CA -1.354 53.304 54.840 -0.303 0.000 0.812 131 L CB 1.723 43.277 42.059 -0.842 0.000 1.331 131 L HN 0.231 nan 8.230 nan 0.000 0.450 132 V N -1.316 118.525 119.914 -0.121 0.000 2.612 132 V HA 0.487 4.607 4.120 -0.001 0.000 0.301 132 V C -0.030 176.145 176.094 0.135 0.000 1.046 132 V CA -0.734 61.536 62.300 -0.049 0.000 0.946 132 V CB 1.624 33.247 31.823 -0.334 0.000 1.003 132 V HN 0.500 nan 8.190 nan 0.000 0.459 133 I N 4.017 124.668 120.570 0.135 0.000 2.533 133 I HA 0.374 4.544 4.170 -0.001 0.000 0.284 133 I C 0.063 176.334 176.117 0.257 0.000 1.109 133 I CA 0.869 62.280 61.300 0.185 0.000 1.412 133 I CB 0.302 38.385 38.000 0.140 0.000 1.396 133 I HN 0.866 nan 8.210 nan 0.000 0.543 134 D N 4.362 124.968 120.400 0.343 0.000 2.685 134 D HA 0.220 4.860 4.640 -0.001 0.000 0.236 134 D C -0.250 176.191 176.300 0.235 0.000 1.233 134 D CA -0.492 53.682 54.000 0.291 0.000 0.760 134 D CB 1.938 42.965 40.800 0.380 0.000 1.410 134 D HN 0.453 nan 8.370 nan 0.000 0.439 135 A N 1.997 124.893 122.820 0.127 0.000 2.235 135 A HA -0.091 4.228 4.320 -0.001 0.000 0.208 135 A C 1.343 178.952 177.584 0.042 0.000 1.172 135 A CA 0.429 52.504 52.037 0.063 0.000 0.786 135 A CB -0.582 18.410 19.000 -0.014 0.000 0.804 135 A HN 0.569 nan 8.150 nan 0.000 0.479 136 Y N 0.212 120.392 120.300 -0.200 0.000 2.207 136 Y HA -0.053 4.497 4.550 -0.001 0.000 0.287 136 Y C 0.204 175.949 175.900 -0.259 0.000 1.156 136 Y CA 0.101 58.001 58.100 -0.333 0.000 1.182 136 Y CB -0.506 37.593 38.460 -0.601 0.000 0.979 136 Y HN 0.253 nan 8.280 nan 0.000 0.521 137 F N -0.876 119.152 119.950 0.129 0.000 2.375 137 F HA 0.283 4.810 4.527 -0.001 0.000 0.317 137 F C 1.912 177.740 175.800 0.047 0.000 1.124 137 F CA 0.008 57.996 58.000 -0.020 0.000 1.050 137 F CB 0.370 39.359 39.000 -0.019 0.000 1.314 137 F HN -0.377 nan 8.300 nan 0.000 0.511 138 S N 0.199 116.069 115.700 0.283 0.000 2.395 138 S HA -0.069 4.401 4.470 -0.001 0.000 0.225 138 S C 2.209 176.858 174.600 0.081 0.000 1.027 138 S CA 0.776 59.105 58.200 0.215 0.000 0.965 138 S CB -0.471 62.943 63.200 0.358 0.000 0.812 138 S HN 0.687 nan 8.310 nan 0.000 0.482 139 A N 1.999 124.861 122.820 0.070 0.000 1.915 139 A HA -0.254 4.066 4.320 -0.001 0.000 0.220 139 A C 2.423 180.000 177.584 -0.012 0.000 1.198 139 A CA 2.602 54.626 52.037 -0.022 0.000 0.647 139 A CB -1.626 17.383 19.000 0.016 0.000 0.825 139 A HN 0.652 nan 8.150 nan 0.000 0.456 140 T N -2.864 111.720 114.554 0.050 0.000 3.023 140 T HA 0.032 4.382 4.350 -0.001 0.000 0.266 140 T C 1.686 176.423 174.700 0.062 0.000 1.093 140 T CA 1.259 63.393 62.100 0.056 0.000 1.129 140 T CB -0.156 68.757 68.868 0.075 0.000 0.899 140 T HN 0.567 nan 8.240 nan 0.000 0.491 141 K N 0.838 121.260 120.400 0.038 0.000 2.057 141 K HA 0.056 4.375 4.320 -0.001 0.000 0.206 141 K C 2.306 178.956 176.600 0.083 0.000 1.050 141 K CA 1.011 57.316 56.287 0.030 0.000 0.935 141 K CB -0.408 32.103 32.500 0.019 0.000 0.715 141 K HN 0.186 nan 8.250 nan 0.000 0.439 142 V N 1.448 121.362 119.914 -0.000 0.000 2.343 142 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 142 V C 2.371 178.453 176.094 -0.020 0.000 1.051 142 V CA 1.767 64.029 62.300 -0.062 0.000 1.036 142 V CB -0.444 31.198 31.823 -0.302 0.000 0.654 142 V HN 0.230 nan 8.190 nan 0.000 0.451 143 R N -0.679 119.813 120.500 -0.013 0.000 2.081 143 R HA -0.204 4.136 4.340 -0.001 0.000 0.235 143 R C 1.953 178.277 176.300 0.040 0.000 1.131 143 R CA 1.925 58.021 56.100 -0.007 0.000 0.960 143 R CB -0.936 29.362 30.300 -0.002 0.000 0.856 143 R HN 0.596 nan 8.270 nan 0.000 0.436 144 W N 0.443 121.690 121.300 -0.088 0.000 2.335 144 W HA -0.201 4.459 4.660 -0.001 0.000 0.311 144 W C 1.608 178.077 176.519 -0.084 0.000 1.213 144 W CA 1.952 59.238 57.345 -0.097 0.000 1.274 144 W CB -0.315 29.060 29.460 -0.143 0.000 1.148 144 W HN 0.121 nan 8.180 nan 0.000 0.498 145 L N -0.039 121.362 121.223 0.297 0.000 2.046 145 L HA -0.255 4.084 4.340 -0.001 0.000 0.208 145 L C 2.433 179.270 176.870 -0.054 0.000 1.077 145 L CA 1.228 56.164 54.840 0.161 0.000 0.747 145 L CB -0.942 41.217 42.059 0.166 0.000 0.896 145 L HN 0.067 nan 8.230 nan 0.000 0.432 146 L N -0.752 120.437 121.223 -0.057 0.000 2.275 146 L HA -0.178 4.161 4.340 -0.001 0.000 0.215 146 L C 1.930 178.717 176.870 -0.139 0.000 1.119 146 L CA 0.662 55.445 54.840 -0.095 0.000 0.790 146 L CB -0.574 41.433 42.059 -0.086 0.000 0.919 146 L HN 0.278 nan 8.230 nan 0.000 0.443 147 D N -0.099 120.182 120.400 -0.198 0.000 2.137 147 D HA -0.100 4.539 4.640 -0.001 0.000 0.202 147 D C 1.818 177.916 176.300 -0.336 0.000 0.970 147 D CA 1.034 54.880 54.000 -0.256 0.000 0.837 147 D CB 0.027 40.644 40.800 -0.305 0.000 0.981 147 D HN 0.269 nan 8.370 nan 0.000 0.475 148 N N -0.275 118.127 118.700 -0.497 0.000 2.294 148 N HA 0.036 4.775 4.740 -0.001 0.000 0.186 148 N C -0.024 175.285 175.510 -0.336 0.000 1.107 148 N CA -0.017 52.684 53.050 -0.582 0.000 0.884 148 N CB 1.619 39.325 38.487 -1.302 0.000 1.030 148 N HN 0.088 nan 8.380 nan 0.000 0.482 149 I N 2.064 122.499 120.570 -0.225 0.000 2.315 149 I HA 0.133 4.303 4.170 -0.001 0.000 0.291 149 I C 0.857 176.924 176.117 -0.085 0.000 1.006 149 I CA -0.796 60.442 61.300 -0.103 0.000 1.265 149 I CB 0.834 38.815 38.000 -0.033 0.000 1.387 149 I HN -0.057 nan 8.210 nan 0.000 0.475 150 E N 4.475 124.637 120.200 -0.063 0.000 2.376 150 E HA 0.220 4.570 4.350 -0.001 0.000 0.266 150 E C 1.090 177.663 176.600 -0.044 0.000 1.009 150 E CA 0.896 57.263 56.400 -0.055 0.000 0.902 150 E CB 0.709 30.386 29.700 -0.038 0.000 0.972 150 E HN 0.904 nan 8.360 nan 0.000 0.439 151 G N 3.588 112.359 108.800 -0.048 0.000 2.253 151 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.251 151 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.251 151 G C 1.061 175.934 174.900 -0.044 0.000 0.998 151 G CA 0.726 45.802 45.100 -0.039 0.000 0.621 151 G HN 0.746 nan 8.290 nan 0.000 0.524 152 A N -0.062 122.727 122.820 -0.051 0.000 1.933 152 A HA 0.059 4.378 4.320 -0.001 0.000 0.218 152 A C 2.155 179.700 177.584 -0.065 0.000 1.175 152 A CA 2.542 54.545 52.037 -0.055 0.000 0.628 152 A CB -0.405 18.563 19.000 -0.054 0.000 0.814 152 A HN 0.892 nan 8.150 nan 0.000 0.444 153 Q N 0.116 119.874 119.800 -0.069 0.000 2.096 153 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 153 Q C 1.972 177.934 176.000 -0.063 0.000 0.982 153 Q CA 2.293 58.054 55.803 -0.071 0.000 0.850 153 Q CB -0.336 28.359 28.738 -0.071 0.000 0.901 153 Q HN 0.735 nan 8.270 nan 0.000 0.422 154 E N -0.196 119.971 120.200 -0.054 0.000 2.047 154 E HA -0.197 4.153 4.350 -0.001 0.000 0.191 154 E C 1.839 178.411 176.600 -0.047 0.000 0.987 154 E CA 1.119 57.491 56.400 -0.046 0.000 0.799 154 E CB 0.028 29.705 29.700 -0.038 0.000 0.752 154 E HN 0.351 nan 8.360 nan 0.000 0.449 155 K N 0.126 120.497 120.400 -0.048 0.000 2.074 155 K HA -0.187 4.132 4.320 -0.001 0.000 0.209 155 K C 2.134 178.693 176.600 -0.069 0.000 1.048 155 K CA 1.285 57.541 56.287 -0.052 0.000 0.926 155 K CB -0.182 32.288 32.500 -0.050 0.000 0.713 155 K HN 0.088 nan 8.250 nan 0.000 0.444 156 A N 1.830 124.602 122.820 -0.080 0.000 1.898 156 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 156 A C 1.664 179.197 177.584 -0.086 0.000 1.181 156 A CA 1.786 53.763 52.037 -0.100 0.000 0.620 156 A CB -0.395 18.541 19.000 -0.107 0.000 0.819 156 A HN 0.171 nan 8.150 nan 0.000 0.442 157 D N 0.385 120.743 120.400 -0.071 0.000 2.149 157 D HA -0.120 4.520 4.640 -0.001 0.000 0.198 157 D C 1.075 177.345 176.300 -0.050 0.000 0.990 157 D CA 1.148 55.112 54.000 -0.059 0.000 0.839 157 D CB -0.360 40.410 40.800 -0.050 0.000 0.948 157 D HN 0.348 nan 8.370 nan 0.000 0.460 158 N N -0.335 118.337 118.700 -0.048 0.000 2.521 158 N HA 0.068 4.808 4.740 -0.001 0.000 0.188 158 N C 1.207 176.693 175.510 -0.041 0.000 1.146 158 N CA 0.885 53.912 53.050 -0.038 0.000 0.893 158 N CB 0.556 39.024 38.487 -0.032 0.000 0.975 158 N HN 0.245 nan 8.380 nan 0.000 0.451 159 G N 0.581 109.347 108.800 -0.057 0.000 2.143 159 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.249 159 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.249 159 G C 0.727 175.583 174.900 -0.073 0.000 0.981 159 G CA 0.397 45.460 45.100 -0.062 0.000 0.665 159 G HN 0.444 nan 8.290 nan 0.000 0.528 160 E N -0.779 119.375 120.200 -0.076 0.000 2.385 160 E HA 0.286 4.636 4.350 -0.001 0.000 0.194 160 E C 1.082 177.601 176.600 -0.135 0.000 1.013 160 E CA 0.221 56.577 56.400 -0.073 0.000 0.866 160 E CB 0.249 29.922 29.700 -0.046 0.000 0.832 160 E HN 0.577 nan 8.360 nan 0.000 0.500 161 L N 1.363 122.474 121.223 -0.188 0.000 2.334 161 L HA 0.485 4.824 4.340 -0.001 0.000 0.273 161 L C -0.483 176.122 176.870 -0.441 0.000 1.013 161 L CA -0.780 53.884 54.840 -0.293 0.000 0.816 161 L CB 1.548 43.480 42.059 -0.211 0.000 1.278 161 L HN -0.072 nan 8.230 nan 0.000 0.431 162 L N 1.887 122.626 121.223 -0.806 0.000 2.346 162 L HA 0.511 4.851 4.340 -0.001 0.000 0.274 162 L C -0.822 175.436 176.870 -1.020 0.000 1.007 162 L CA -0.545 53.631 54.840 -1.108 0.000 0.818 162 L CB 2.226 43.036 42.059 -2.082 0.000 1.284 162 L HN 0.373 nan 8.230 nan 0.000 0.424 163 F N 1.183 120.722 119.950 -0.684 0.000 2.425 163 F HA 0.847 5.374 4.527 -0.001 0.000 0.331 163 F C 0.101 175.795 175.800 -0.176 0.000 1.085 163 F CA -0.653 57.122 58.000 -0.375 0.000 1.028 163 F CB 1.844 40.703 39.000 -0.235 0.000 1.177 163 F HN 0.361 nan 8.300 nan 0.000 0.487 164 G N 2.234 110.652 108.800 -0.637 0.000 2.703 164 G HA2 0.470 4.429 3.960 -0.001 0.000 0.294 164 G HA3 0.470 4.429 3.960 -0.001 0.000 0.294 164 G C -1.106 173.438 174.900 -0.593 0.000 1.451 164 G CA -0.394 44.333 45.100 -0.621 0.000 0.869 164 G HN 0.873 nan 8.290 nan 0.000 0.516 165 T N -0.303 113.950 114.554 -0.501 0.000 2.698 165 T HA 0.271 4.621 4.350 -0.001 0.000 0.295 165 T C 1.517 176.240 174.700 0.039 0.000 1.007 165 T CA -0.593 61.441 62.100 -0.110 0.000 0.980 165 T CB 0.746 69.607 68.868 -0.012 0.000 1.036 165 T HN 0.197 nan 8.240 nan 0.000 0.526 166 I N 1.837 122.469 120.570 0.103 0.000 2.394 166 I HA -0.109 4.060 4.170 -0.001 0.000 0.251 166 I C 2.420 178.633 176.117 0.160 0.000 1.136 166 I CA 1.299 62.706 61.300 0.178 0.000 1.425 166 I CB -1.358 36.751 38.000 0.181 0.000 1.079 166 I HN 0.813 nan 8.210 nan 0.000 0.425 167 D N -0.124 120.325 120.400 0.081 0.000 2.123 167 D HA -0.207 4.432 4.640 -0.001 0.000 0.196 167 D C 2.099 178.412 176.300 0.021 0.000 0.992 167 D CA 1.587 55.601 54.000 0.024 0.000 0.833 167 D CB -0.526 40.250 40.800 -0.041 0.000 0.954 167 D HN 0.211 nan 8.370 nan 0.000 0.455 168 S N -0.794 114.946 115.700 0.066 0.000 2.371 168 S HA -0.114 4.355 4.470 -0.001 0.000 0.224 168 S C 1.637 176.404 174.600 0.278 0.000 1.029 168 S CA 0.938 59.229 58.200 0.152 0.000 0.978 168 S CB -0.804 62.484 63.200 0.145 0.000 0.833 168 S HN 0.560 nan 8.310 nan 0.000 0.466 169 W N 1.728 123.017 121.300 -0.018 0.000 2.335 169 W HA -0.147 4.513 4.660 -0.001 0.000 0.311 169 W C 1.546 177.931 176.519 -0.222 0.000 1.213 169 W CA 1.105 58.246 57.345 -0.341 0.000 1.274 169 W CB -0.384 28.871 29.460 -0.341 0.000 1.148 169 W HN 0.330 nan 8.180 nan 0.000 0.498 170 L N 0.150 121.279 121.223 -0.156 0.000 2.109 170 L HA -0.211 4.128 4.340 -0.001 0.000 0.207 170 L C 2.386 179.118 176.870 -0.231 0.000 1.086 170 L CA 0.834 55.535 54.840 -0.232 0.000 0.760 170 L CB -1.145 40.935 42.059 0.036 0.000 0.910 170 L HN -0.196 nan 8.230 nan 0.000 0.437 171 V N -0.497 119.351 119.914 -0.110 0.000 2.343 171 V HA -0.302 3.817 4.120 -0.001 0.000 0.247 171 V C 2.138 178.170 176.094 -0.103 0.000 1.051 171 V CA 1.793 64.041 62.300 -0.087 0.000 1.036 171 V CB -0.664 31.118 31.823 -0.069 0.000 0.654 171 V HN 0.659 nan 8.190 nan 0.000 0.451 172 W N 1.401 122.543 121.300 -0.263 0.000 2.335 172 W HA -0.204 4.455 4.660 -0.001 0.000 0.311 172 W C 2.241 178.425 176.519 -0.558 0.000 1.213 172 W CA 1.879 59.047 57.345 -0.296 0.000 1.274 172 W CB -0.296 29.016 29.460 -0.247 0.000 1.148 172 W HN 0.171 nan 8.180 nan 0.000 0.498 173 K N 0.734 120.640 120.400 -0.823 0.000 2.057 173 K HA -0.105 4.215 4.320 -0.001 0.000 0.206 173 K C 2.211 178.248 176.600 -0.937 0.000 1.050 173 K CA 1.242 56.756 56.287 -1.289 0.000 0.935 173 K CB -1.079 30.020 32.500 -2.334 0.000 0.715 173 K HN 0.343 nan 8.250 nan 0.000 0.439 174 L N 1.217 122.102 121.223 -0.563 0.000 2.201 174 L HA -0.107 4.232 4.340 -0.001 0.000 0.212 174 L C 1.922 178.709 176.870 -0.139 0.000 1.105 174 L CA 1.453 56.212 54.840 -0.134 0.000 0.775 174 L CB -0.488 41.575 42.059 0.008 0.000 0.913 174 L HN 0.257 nan 8.230 nan 0.000 0.440 175 T N -5.330 109.073 114.554 -0.252 0.000 3.163 175 T HA 0.080 4.430 4.350 -0.001 0.000 0.252 175 T C 0.570 175.089 174.700 -0.302 0.000 1.056 175 T CA 0.119 62.095 62.100 -0.208 0.000 0.947 175 T CB -0.031 68.734 68.868 -0.173 0.000 1.016 175 T HN 0.245 nan 8.240 nan 0.000 0.554 176 D N 0.972 121.131 120.400 -0.402 0.000 2.800 176 D HA -0.122 4.517 4.640 -0.001 0.000 0.232 176 D C 1.124 177.047 176.300 -0.629 0.000 1.137 176 D CA 1.433 55.183 54.000 -0.417 0.000 0.718 176 D CB -1.568 39.109 40.800 -0.204 0.000 1.084 176 D HN 0.969 nan 8.370 nan 0.000 0.432 177 G N -0.751 107.369 108.800 -1.134 0.000 2.147 177 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.244 177 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.244 177 G C 0.780 175.122 174.900 -0.929 0.000 1.005 177 G CA 0.631 44.647 45.100 -1.806 0.000 0.713 177 G HN 0.529 nan 8.290 nan 0.000 0.515 178 Q N -1.330 118.176 119.800 -0.489 0.000 2.373 178 Q HA 0.255 4.595 4.340 -0.001 0.000 0.210 178 Q C 0.683 176.647 176.000 -0.061 0.000 0.913 178 Q CA 0.939 56.622 55.803 -0.200 0.000 0.911 178 Q CB 1.053 29.709 28.738 -0.138 0.000 1.040 178 Q HN 0.494 nan 8.270 nan 0.000 0.521 179 V N 1.225 121.115 119.914 -0.039 0.000 2.487 179 V HA 0.211 4.330 4.120 -0.001 0.000 0.298 179 V C -1.094 175.205 176.094 0.341 0.000 1.028 179 V CA -0.810 61.565 62.300 0.124 0.000 0.860 179 V CB 1.483 33.346 31.823 0.067 0.000 0.991 179 V HN 0.143 nan 8.190 nan 0.000 0.427 180 H N 3.701 122.935 119.070 0.273 0.000 2.725 180 H HA 0.787 5.343 4.556 -0.001 0.000 0.283 180 H C -1.046 174.391 175.328 0.183 0.000 1.110 180 H CA -0.304 55.944 56.048 0.334 0.000 1.289 180 H CB 1.287 31.243 29.762 0.323 0.000 1.400 180 H HN 0.496 nan 8.280 nan 0.000 0.493 181 V N 3.912 123.854 119.914 0.047 0.000 3.159 181 V HA 0.732 4.851 4.120 -0.001 0.000 0.308 181 V C -0.999 175.008 176.094 -0.146 0.000 1.190 181 V CA -0.170 62.081 62.300 -0.081 0.000 1.037 181 V CB 2.555 34.348 31.823 -0.050 0.000 1.060 181 V HN 0.813 nan 8.190 nan 0.000 0.437 182 T N 1.482 115.930 114.554 -0.177 0.000 2.821 182 T HA 0.450 4.800 4.350 -0.001 0.000 0.306 182 T C -1.872 172.660 174.700 -0.280 0.000 1.313 182 T CA -0.270 61.707 62.100 -0.205 0.000 1.012 182 T CB 1.726 70.537 68.868 -0.095 0.000 1.298 182 T HN 1.010 nan 8.240 nan 0.000 0.502 183 D N 1.222 121.457 120.400 -0.275 0.000 2.387 183 D HA 0.212 4.852 4.640 -0.001 0.000 0.255 183 D C 0.635 176.761 176.300 -0.289 0.000 1.081 183 D CA -0.527 53.306 54.000 -0.279 0.000 0.994 183 D CB 0.873 41.582 40.800 -0.151 0.000 1.127 183 D HN 0.517 nan 8.370 nan 0.000 0.513 184 Y N 0.566 120.743 120.300 -0.205 0.000 2.114 184 Y HA -0.308 4.242 4.550 -0.001 0.000 0.282 184 Y C 3.074 178.823 175.900 -0.251 0.000 1.165 184 Y CA 1.969 59.894 58.100 -0.292 0.000 1.148 184 Y CB -0.963 37.392 38.460 -0.174 0.000 0.972 184 Y HN 0.557 nan 8.280 nan 0.000 0.504 185 S N 0.028 115.749 115.700 0.036 0.000 2.351 185 S HA -0.272 4.197 4.470 -0.001 0.000 0.220 185 S C 1.837 176.422 174.600 -0.024 0.000 1.035 185 S CA 1.784 59.993 58.200 0.015 0.000 1.031 185 S CB -1.097 62.137 63.200 0.057 0.000 0.928 185 S HN 0.577 nan 8.310 nan 0.000 0.433 186 N N 2.153 120.825 118.700 -0.046 0.000 2.120 186 N HA 0.074 4.813 4.740 -0.001 0.000 0.188 186 N C 2.015 177.506 175.510 -0.033 0.000 1.024 186 N CA 1.277 54.311 53.050 -0.028 0.000 0.852 186 N CB -0.507 37.959 38.487 -0.035 0.000 1.003 186 N HN 0.625 nan 8.380 nan 0.000 0.424 187 A N 0.455 123.174 122.820 -0.168 0.000 1.930 187 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 187 A C 2.177 179.660 177.584 -0.170 0.000 1.175 187 A CA 1.705 53.576 52.037 -0.277 0.000 0.627 187 A CB -0.905 17.486 19.000 -1.014 0.000 0.815 187 A HN 0.410 nan 8.150 nan 0.000 0.443 188 S N -0.287 115.335 115.700 -0.129 0.000 2.440 188 S HA -0.177 4.292 4.470 -0.001 0.000 0.238 188 S C 1.743 176.347 174.600 0.008 0.000 1.010 188 S CA 1.195 59.410 58.200 0.025 0.000 0.972 188 S CB -0.416 62.796 63.200 0.020 0.000 0.774 188 S HN 0.546 nan 8.310 nan 0.000 0.501 189 R N 1.067 121.588 120.500 0.035 0.000 2.276 189 R HA 0.081 4.420 4.340 -0.001 0.000 0.196 189 R C 2.197 178.585 176.300 0.147 0.000 0.961 189 R CA 1.237 57.382 56.100 0.075 0.000 1.024 189 R CB -1.022 29.337 30.300 0.097 0.000 0.940 189 R HN 0.828 nan 8.270 nan 0.000 0.480 190 T N -2.472 112.196 114.554 0.190 0.000 3.088 190 T HA 0.022 4.371 4.350 -0.001 0.000 0.259 190 T C 1.354 176.154 174.700 0.167 0.000 1.122 190 T CA 0.417 62.682 62.100 0.277 0.000 1.095 190 T CB -0.015 69.127 68.868 0.457 0.000 0.930 190 T HN 0.202 nan 8.240 nan 0.000 0.508 191 M N -0.539 119.093 119.600 0.052 0.000 2.856 191 M HA -0.171 4.309 4.480 -0.001 0.000 0.189 191 M C -0.104 176.232 176.300 0.059 0.000 0.612 191 M CA 0.777 56.061 55.300 -0.026 0.000 0.673 191 M CB -1.362 31.215 32.600 -0.039 0.000 2.440 191 M HN 0.400 nan 8.290 nan 0.000 0.437 192 L N -0.982 120.349 121.223 0.179 0.000 2.766 192 L HA 0.256 4.596 4.340 -0.001 0.000 0.242 192 L C 0.153 177.285 176.870 0.437 0.000 1.136 192 L CA -0.184 54.806 54.840 0.250 0.000 0.933 192 L CB 0.436 42.635 42.059 0.234 0.000 1.241 192 L HN 0.383 nan 8.230 nan 0.000 0.522 193 Y N 0.976 121.374 120.300 0.164 0.000 2.364 193 Y HA 0.374 4.924 4.550 -0.001 0.000 0.340 193 Y C -0.059 175.806 175.900 -0.058 0.000 0.975 193 Y CA -1.341 56.764 58.100 0.009 0.000 1.089 193 Y CB 1.179 39.479 38.460 -0.267 0.000 1.192 193 Y HN -0.119 nan 8.280 nan 0.000 0.454 194 N N 6.677 125.058 118.700 -0.532 0.000 2.402 194 N HA 0.056 4.796 4.740 -0.001 0.000 0.252 194 N C 0.855 176.030 175.510 -0.559 0.000 1.118 194 N CA 0.047 52.857 53.050 -0.401 0.000 0.945 194 N CB 0.392 38.719 38.487 -0.268 0.000 1.147 194 N HN 0.913 nan 8.380 nan 0.000 0.495 195 I N 1.074 121.431 120.570 -0.356 0.000 3.176 195 I HA -0.060 4.109 4.170 -0.001 0.000 0.275 195 I C 1.057 176.953 176.117 -0.369 0.000 1.298 195 I CA 0.645 61.772 61.300 -0.288 0.000 1.445 195 I CB -0.170 37.729 38.000 -0.168 0.000 1.075 195 I HN 0.395 nan 8.210 nan 0.000 0.482 196 H N 2.208 121.211 119.070 -0.111 0.000 2.361 196 H HA 0.162 4.718 4.556 -0.001 0.000 0.308 196 H C 1.450 176.711 175.328 -0.112 0.000 1.053 196 H CA 0.975 56.960 56.048 -0.106 0.000 1.377 196 H CB -0.092 29.584 29.762 -0.142 0.000 1.434 196 H HN 0.394 nan 8.280 nan 0.000 0.548 197 K N 1.088 121.449 120.400 -0.065 0.000 2.459 197 K HA 0.122 4.441 4.320 -0.001 0.000 0.193 197 K C 0.200 176.704 176.600 -0.161 0.000 1.030 197 K CA -0.003 56.229 56.287 -0.092 0.000 1.026 197 K CB 0.516 32.961 32.500 -0.091 0.000 0.809 197 K HN 0.095 nan 8.250 nan 0.000 0.504 198 L N 1.953 122.997 121.223 -0.298 0.000 3.601 198 L HA -0.285 4.055 4.340 -0.001 0.000 0.469 198 L C -0.378 176.305 176.870 -0.311 0.000 1.294 198 L CA 0.595 55.263 54.840 -0.288 0.000 0.829 198 L CB -2.000 40.026 42.059 -0.055 0.000 1.628 198 L HN 0.443 nan 8.230 nan 0.000 0.868 199 E N -1.826 117.949 120.200 -0.709 0.000 2.430 199 E HA 0.425 4.774 4.350 -0.001 0.000 0.279 199 E C -0.923 175.393 176.600 -0.474 0.000 1.003 199 E CA -1.174 54.995 56.400 -0.385 0.000 0.801 199 E CB 0.728 30.356 29.700 -0.119 0.000 1.313 199 E HN 0.148 nan 8.360 nan 0.000 0.459 200 W N 1.234 122.581 121.300 0.079 0.000 2.193 200 W HA 0.147 4.806 4.660 -0.001 0.000 0.338 200 W C 0.214 176.718 176.519 -0.024 0.000 1.310 200 W CA 0.251 57.669 57.345 0.122 0.000 1.243 200 W CB 0.520 30.064 29.460 0.140 0.000 1.165 200 W HN 0.547 nan 8.180 nan 0.000 0.566 201 D N 1.971 122.509 120.400 0.229 0.000 2.339 201 D HA -0.006 4.634 4.640 -0.001 0.000 0.241 201 D C 1.022 177.366 176.300 0.075 0.000 1.183 201 D CA -0.093 53.955 54.000 0.081 0.000 0.859 201 D CB 1.177 41.994 40.800 0.029 0.000 1.067 201 D HN 0.299 nan 8.370 nan 0.000 0.484 202 Q N 2.866 122.695 119.800 0.049 0.000 2.119 202 Q HA -0.171 4.169 4.340 -0.001 0.000 0.201 202 Q C 1.564 177.563 176.000 -0.003 0.000 0.972 202 Q CA 1.520 57.339 55.803 0.027 0.000 0.847 202 Q CB 0.032 28.784 28.738 0.023 0.000 0.903 202 Q HN 0.731 nan 8.270 nan 0.000 0.433 203 E N -0.544 119.650 120.200 -0.011 0.000 2.150 203 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 203 E C 1.738 178.303 176.600 -0.058 0.000 0.985 203 E CA 1.067 57.448 56.400 -0.032 0.000 0.814 203 E CB -0.142 29.542 29.700 -0.028 0.000 0.752 203 E HN 0.502 nan 8.360 nan 0.000 0.466 204 I N 0.766 121.310 120.570 -0.044 0.000 2.353 204 I HA -0.235 3.934 4.170 -0.001 0.000 0.248 204 I C 2.238 178.318 176.117 -0.063 0.000 1.119 204 I CA 0.620 61.882 61.300 -0.063 0.000 1.417 204 I CB -0.073 37.911 38.000 -0.026 0.000 1.078 204 I HN 0.202 nan 8.210 nan 0.000 0.421 205 L N 0.161 121.360 121.223 -0.041 0.000 2.083 205 L HA -0.227 4.113 4.340 -0.001 0.000 0.209 205 L C 2.034 178.861 176.870 -0.072 0.000 1.083 205 L CA 1.169 55.969 54.840 -0.067 0.000 0.752 205 L CB -0.701 41.321 42.059 -0.061 0.000 0.899 205 L HN 0.246 nan 8.230 nan 0.000 0.433 206 D N 0.055 120.419 120.400 -0.060 0.000 2.117 206 D HA -0.150 4.489 4.640 -0.001 0.000 0.198 206 D C 2.081 178.340 176.300 -0.068 0.000 0.982 206 D CA 0.934 54.900 54.000 -0.057 0.000 0.828 206 D CB -0.142 40.631 40.800 -0.044 0.000 0.967 206 D HN 0.147 nan 8.370 nan 0.000 0.464 207 L N 0.302 121.469 121.223 -0.093 0.000 2.083 207 L HA -0.066 4.273 4.340 -0.001 0.000 0.209 207 L C 1.701 178.517 176.870 -0.090 0.000 1.083 207 L CA 1.518 56.286 54.840 -0.120 0.000 0.752 207 L CB -0.296 41.622 42.059 -0.235 0.000 0.899 207 L HN 0.001 nan 8.230 nan 0.000 0.433 208 L N -0.272 120.899 121.223 -0.086 0.000 2.607 208 L HA 0.124 4.463 4.340 -0.001 0.000 0.228 208 L C 0.641 177.467 176.870 -0.073 0.000 1.123 208 L CA 0.188 54.984 54.840 -0.072 0.000 0.890 208 L CB -0.374 41.638 42.059 -0.079 0.000 1.103 208 L HN 0.470 nan 8.230 nan 0.000 0.468 209 N N 1.390 120.047 118.700 -0.072 0.000 2.725 209 N HA -0.238 4.501 4.740 -0.001 0.000 0.251 209 N C -0.634 174.823 175.510 -0.088 0.000 1.031 209 N CA 0.533 53.541 53.050 -0.070 0.000 0.720 209 N CB -1.207 37.244 38.487 -0.060 0.000 0.930 209 N HN 0.331 nan 8.380 nan 0.000 0.543 210 I N 1.116 121.622 120.570 -0.107 0.000 2.355 210 I HA 0.359 4.529 4.170 -0.001 0.000 0.288 210 I C -1.907 174.126 176.117 -0.140 0.000 0.999 210 I CA -1.984 59.232 61.300 -0.141 0.000 1.163 210 I CB 1.663 39.548 38.000 -0.193 0.000 1.316 210 I HN 0.017 nan 8.210 nan 0.000 0.454 211 P HA 0.088 nan 4.420 nan 0.000 0.280 211 P C 0.671 177.879 177.300 -0.153 0.000 1.244 211 P CA -0.331 62.698 63.100 -0.119 0.000 0.784 211 P CB 1.279 32.920 31.700 -0.099 0.000 0.913 212 S N 1.882 117.501 115.700 -0.135 0.000 2.440 212 S HA -0.197 4.272 4.470 -0.001 0.000 0.240 212 S C 1.763 176.271 174.600 -0.153 0.000 1.014 212 S CA 1.577 59.678 58.200 -0.164 0.000 0.980 212 S CB -1.441 61.706 63.200 -0.088 0.000 0.775 212 S HN 0.562 nan 8.310 nan 0.000 0.499 213 S N 2.152 117.788 115.700 -0.107 0.000 2.419 213 S HA -0.046 4.424 4.470 -0.001 0.000 0.235 213 S C 1.802 176.335 174.600 -0.112 0.000 1.019 213 S CA 1.280 59.430 58.200 -0.085 0.000 0.982 213 S CB -0.863 62.294 63.200 -0.072 0.000 0.789 213 S HN 0.605 nan 8.310 nan 0.000 0.490 214 M N 0.694 120.199 119.600 -0.159 0.000 2.549 214 M HA 0.202 4.681 4.480 -0.001 0.000 0.260 214 M C 0.022 176.253 176.300 -0.114 0.000 1.076 214 M CA 0.701 55.898 55.300 -0.172 0.000 1.090 214 M CB -0.447 32.044 32.600 -0.182 0.000 1.418 214 M HN 0.280 nan 8.290 nan 0.000 0.486 215 L N 1.224 122.326 121.223 -0.201 0.000 2.325 215 L HA 0.400 4.740 4.340 -0.001 0.000 0.279 215 L C -2.004 174.735 176.870 -0.218 0.000 1.054 215 L CA -2.269 52.358 54.840 -0.355 0.000 0.804 215 L CB 0.650 42.089 42.059 -1.034 0.000 1.200 215 L HN -0.144 nan 8.230 nan 0.000 0.436 216 P HA 0.049 nan 4.420 nan 0.000 0.274 216 P C -0.858 176.507 177.300 0.109 0.000 1.256 216 P CA -0.490 62.323 63.100 -0.478 0.000 0.795 216 P CB 0.617 31.887 31.700 -0.716 0.000 1.038 217 E N -0.182 120.048 120.200 0.049 0.000 2.354 217 E HA 0.268 4.618 4.350 -0.001 0.000 0.269 217 E C -0.973 175.654 176.600 0.045 0.000 1.036 217 E CA -0.617 55.861 56.400 0.130 0.000 0.876 217 E CB 0.585 30.336 29.700 0.084 0.000 1.009 217 E HN 0.080 nan 8.360 nan 0.000 0.416 218 V N 5.179 125.077 119.914 -0.027 0.000 2.398 218 V HA 0.383 4.503 4.120 -0.001 0.000 0.286 218 V C 0.098 175.994 176.094 -0.328 0.000 1.026 218 V CA -0.515 61.624 62.300 -0.268 0.000 0.868 218 V CB 1.415 32.924 31.823 -0.523 0.000 0.982 218 V HN 0.662 nan 8.190 nan 0.000 0.443 219 K N 1.699 121.842 120.400 -0.429 0.000 2.409 219 K HA 0.603 4.923 4.320 -0.001 0.000 0.252 219 K C 0.012 176.233 176.600 -0.631 0.000 1.036 219 K CA -0.623 55.442 56.287 -0.370 0.000 0.871 219 K CB 2.333 34.837 32.500 0.006 0.000 1.374 219 K HN 0.741 nan 8.250 nan 0.000 0.459 220 S N -0.330 115.153 115.700 -0.361 0.000 2.626 220 S HA 0.107 4.577 4.470 -0.001 0.000 0.257 220 S C 0.618 175.232 174.600 0.022 0.000 1.288 220 S CA -0.260 57.847 58.200 -0.156 0.000 0.980 220 S CB 0.362 63.592 63.200 0.050 0.000 0.975 220 S HN 0.565 nan 8.310 nan 0.000 0.577 221 N N 0.009 118.760 118.700 0.084 0.000 2.353 221 N HA 0.062 4.801 4.740 -0.001 0.000 0.185 221 N C -0.228 175.299 175.510 0.027 0.000 1.098 221 N CA 0.330 53.425 53.050 0.076 0.000 0.872 221 N CB 0.519 39.022 38.487 0.026 0.000 0.970 221 N HN 0.555 nan 8.380 nan 0.000 0.467 222 S N 0.916 116.597 115.700 -0.031 0.000 2.381 222 S HA 0.188 4.657 4.470 -0.001 0.000 0.193 222 S C -1.239 173.252 174.600 -0.182 0.000 1.287 222 S CA -0.662 57.475 58.200 -0.106 0.000 1.199 222 S CB 0.015 63.152 63.200 -0.105 0.000 1.214 222 S HN 0.347 nan 8.310 nan 0.000 0.444 223 E N 0.822 120.772 120.200 -0.416 0.000 2.416 223 E HA 0.402 4.751 4.350 -0.001 0.000 0.280 223 E C -1.454 174.690 176.600 -0.759 0.000 1.055 223 E CA -1.215 54.911 56.400 -0.457 0.000 0.825 223 E CB 0.846 30.323 29.700 -0.371 0.000 1.312 223 E HN 0.132 nan 8.360 nan 0.000 0.452 224 V N 3.224 122.851 119.914 -0.477 0.000 2.400 224 V HA -0.030 4.089 4.120 -0.001 0.000 0.263 224 V C 0.154 175.983 176.094 -0.442 0.000 1.026 224 V CA 0.394 62.439 62.300 -0.425 0.000 1.077 224 V CB -1.360 30.312 31.823 -0.251 0.000 1.054 224 V HN 0.642 nan 8.190 nan 0.000 0.477 225 Y N 3.601 123.810 120.300 -0.151 0.000 2.337 225 Y HA 0.352 4.902 4.550 -0.001 0.000 0.293 225 Y C 1.628 177.436 175.900 -0.153 0.000 1.123 225 Y CA 0.806 58.831 58.100 -0.126 0.000 1.201 225 Y CB 0.237 38.635 38.460 -0.103 0.000 1.011 225 Y HN 0.749 nan 8.280 nan 0.000 0.545 226 G N -1.862 106.848 108.800 -0.151 0.000 2.336 226 G HA2 0.340 4.299 3.960 -0.001 0.000 0.286 226 G HA3 0.340 4.299 3.960 -0.001 0.000 0.286 226 G C -2.115 172.425 174.900 -0.600 0.000 1.269 226 G CA -1.001 43.944 45.100 -0.260 0.000 0.873 226 G HN 0.118 nan 8.290 nan 0.000 0.494 227 H N -0.505 118.531 119.070 -0.056 0.000 2.851 227 H HA 0.623 5.178 4.556 -0.001 0.000 0.372 227 H C 0.322 175.583 175.328 -0.112 0.000 1.158 227 H CA -0.005 55.988 56.048 -0.093 0.000 1.159 227 H CB 1.901 31.612 29.762 -0.085 0.000 1.757 227 H HN 0.725 nan 8.280 nan 0.000 0.546 228 T N 0.110 114.630 114.554 -0.056 0.000 2.900 228 T HA 0.331 4.681 4.350 -0.001 0.000 0.307 228 T C 0.270 174.961 174.700 -0.015 0.000 1.065 228 T CA -0.701 61.359 62.100 -0.066 0.000 1.105 228 T CB 0.592 69.353 68.868 -0.177 0.000 0.979 228 T HN 0.639 nan 8.240 nan 0.000 0.544 229 R N 1.283 121.786 120.500 0.004 0.000 2.718 229 R HA 0.551 4.890 4.340 -0.001 0.000 0.266 229 R C -0.928 175.417 176.300 0.075 0.000 1.776 229 R CA -0.416 55.675 56.100 -0.015 0.000 1.567 229 R CB 1.202 31.471 30.300 -0.052 0.000 1.336 229 R HN 0.705 nan 8.270 nan 0.000 0.619 230 S N -0.205 115.599 115.700 0.173 0.000 2.547 230 S HA 0.112 4.581 4.470 -0.001 0.000 0.270 230 S C -0.052 174.786 174.600 0.396 0.000 1.150 230 S CA -0.678 57.719 58.200 0.328 0.000 0.850 230 S CB 0.880 64.337 63.200 0.427 0.000 1.118 230 S HN 0.484 nan 8.310 nan 0.000 0.461 231 Y N 3.839 124.319 120.300 0.301 0.000 2.040 231 Y HA -0.133 4.416 4.550 -0.001 0.000 0.275 231 Y C 2.224 178.207 175.900 0.139 0.000 1.171 231 Y CA 2.924 61.159 58.100 0.226 0.000 1.123 231 Y CB -0.863 37.644 38.460 0.078 0.000 0.963 231 Y HN 0.765 nan 8.280 nan 0.000 0.493 232 A N -1.231 121.451 122.820 -0.229 0.000 2.178 232 A HA -0.075 4.244 4.320 -0.001 0.000 0.218 232 A C 1.049 178.356 177.584 -0.461 0.000 1.157 232 A CA 1.112 52.843 52.037 -0.509 0.000 0.689 232 A CB -1.158 17.604 19.000 -0.396 0.000 0.787 232 A HN 0.487 nan 8.150 nan 0.000 0.465 233 F N -2.138 117.809 119.950 -0.004 0.000 2.855 233 F HA 0.286 4.813 4.527 -0.001 0.000 0.317 233 F C 0.128 175.896 175.800 -0.053 0.000 1.169 233 F CA -1.231 56.767 58.000 -0.003 0.000 1.299 233 F CB -0.274 38.774 39.000 0.080 0.000 0.962 233 F HN 0.227 nan 8.300 nan 0.000 0.506 234 Y N 0.746 121.000 120.300 -0.077 0.000 2.526 234 Y HA 0.382 4.932 4.550 -0.001 0.000 0.330 234 Y C 1.377 177.256 175.900 -0.034 0.000 1.156 234 Y CA 0.996 59.076 58.100 -0.033 0.000 1.419 234 Y CB 0.738 39.162 38.460 -0.059 0.000 1.250 234 Y HN 0.440 nan 8.280 nan 0.000 0.540 235 G N 2.701 111.239 108.800 -0.437 0.000 2.199 235 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.254 235 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.254 235 G C -0.156 174.652 174.900 -0.153 0.000 0.982 235 G CA 0.183 45.126 45.100 -0.263 0.000 0.632 235 G HN 0.705 nan 8.290 nan 0.000 0.529 236 S N 0.499 116.136 115.700 -0.105 0.000 2.473 236 S HA 0.541 5.010 4.470 -0.001 0.000 0.307 236 S C -0.331 174.229 174.600 -0.066 0.000 1.094 236 S CA -0.652 57.512 58.200 -0.061 0.000 1.070 236 S CB 1.877 65.069 63.200 -0.013 0.000 1.019 236 S HN 0.352 nan 8.310 nan 0.000 0.480 237 E N 2.207 122.363 120.200 -0.074 0.000 1.924 237 E HA 0.215 4.564 4.350 -0.001 0.000 0.261 237 E C -0.762 175.848 176.600 0.016 0.000 1.088 237 E CA -0.274 56.096 56.400 -0.050 0.000 0.909 237 E CB 0.479 30.095 29.700 -0.140 0.000 1.112 237 E HN 0.296 nan 8.360 nan 0.000 0.425 238 V N 4.510 124.394 119.914 -0.051 0.000 2.530 238 V HA 0.122 4.241 4.120 -0.001 0.000 0.282 238 V C -2.044 174.004 176.094 -0.078 0.000 1.048 238 V CA -1.989 60.252 62.300 -0.098 0.000 0.997 238 V CB 0.586 32.240 31.823 -0.282 0.000 0.987 238 V HN 0.456 nan 8.190 nan 0.000 0.477 239 P HA 0.162 nan 4.420 nan 0.000 0.263 239 P C -0.509 176.685 177.300 -0.176 0.000 1.195 239 P CA 0.313 63.325 63.100 -0.146 0.000 0.762 239 P CB 0.254 31.903 31.700 -0.086 0.000 0.799 240 I N 2.796 123.249 120.570 -0.195 0.000 2.312 240 I HA 0.437 4.607 4.170 -0.001 0.000 0.290 240 I C 0.892 177.012 176.117 0.006 0.000 1.008 240 I CA -0.045 61.215 61.300 -0.065 0.000 1.226 240 I CB 1.261 39.249 38.000 -0.020 0.000 1.371 240 I HN 0.361 nan 8.210 nan 0.000 0.468 241 A N 4.738 127.565 122.820 0.013 0.000 2.701 241 A HA 0.622 4.942 4.320 -0.001 0.000 0.241 241 A C 0.485 178.043 177.584 -0.043 0.000 1.231 241 A CA -0.025 51.927 52.037 -0.142 0.000 1.003 241 A CB 0.521 19.437 19.000 -0.139 0.000 1.281 241 A HN 0.704 nan 8.150 nan 0.000 0.600 242 G N -0.350 108.552 108.800 0.170 0.000 2.682 242 G HA2 0.604 4.564 3.960 -0.001 0.000 0.300 242 G HA3 0.604 4.564 3.960 -0.001 0.000 0.300 242 G C -1.224 173.803 174.900 0.211 0.000 1.391 242 G CA -0.393 44.805 45.100 0.164 0.000 0.990 242 G HN 0.115 nan 8.290 nan 0.000 0.501 243 M N 0.836 120.522 119.600 0.143 0.000 2.322 243 M HA 0.652 5.131 4.480 -0.001 0.000 0.285 243 M C -0.869 175.423 176.300 -0.013 0.000 1.119 243 M CA -0.289 55.011 55.300 0.001 0.000 0.953 243 M CB 2.577 35.038 32.600 -0.231 0.000 1.701 243 M HN 1.017 nan 8.290 nan 0.000 0.479 244 A N 2.021 124.832 122.820 -0.015 0.000 2.612 244 A HA 0.851 5.170 4.320 -0.001 0.000 0.293 244 A C -0.527 177.060 177.584 0.004 0.000 1.075 244 A CA -0.447 51.588 52.037 -0.002 0.000 0.680 244 A CB 1.142 20.147 19.000 0.010 0.000 1.279 244 A HN 0.924 nan 8.150 nan 0.000 0.411 245 G N 0.214 109.017 108.800 0.005 0.000 2.554 245 G HA2 0.356 4.316 3.960 -0.001 0.000 0.238 245 G HA3 0.356 4.316 3.960 -0.001 0.000 0.238 245 G C 0.496 175.392 174.900 -0.007 0.000 1.259 245 G CA 0.560 45.655 45.100 -0.007 0.000 0.843 245 G HN 0.926 nan 8.290 nan 0.000 0.582 246 D N 0.753 121.139 120.400 -0.024 0.000 2.133 246 D HA -0.198 4.441 4.640 -0.001 0.000 0.195 246 D C 1.874 178.167 176.300 -0.013 0.000 0.997 246 D CA 1.339 55.334 54.000 -0.008 0.000 0.840 246 D CB -0.131 40.665 40.800 -0.007 0.000 0.947 246 D HN 0.352 nan 8.370 nan 0.000 0.452 247 Q N -0.002 119.754 119.800 -0.073 0.000 2.119 247 Q HA -0.077 4.262 4.340 -0.001 0.000 0.201 247 Q C 2.286 178.321 176.000 0.058 0.000 0.972 247 Q CA 1.219 57.004 55.803 -0.031 0.000 0.847 247 Q CB -0.400 28.276 28.738 -0.102 0.000 0.903 247 Q HN 0.487 nan 8.270 nan 0.000 0.433 248 Q N 0.238 120.082 119.800 0.074 0.000 2.172 248 Q HA 0.040 4.379 4.340 -0.001 0.000 0.200 248 Q C 1.998 178.093 176.000 0.158 0.000 0.964 248 Q CA 1.296 57.189 55.803 0.149 0.000 0.855 248 Q CB -0.258 28.570 28.738 0.150 0.000 0.918 248 Q HN 0.402 nan 8.270 nan 0.000 0.444 249 A N 0.874 123.754 122.820 0.099 0.000 1.883 249 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 249 A C 2.287 179.943 177.584 0.120 0.000 1.186 249 A CA 1.740 53.837 52.037 0.101 0.000 0.624 249 A CB -1.134 17.901 19.000 0.057 0.000 0.822 249 A HN 0.402 nan 8.150 nan 0.000 0.444 250 A N -0.510 122.362 122.820 0.086 0.000 1.917 250 A HA -0.151 4.169 4.320 -0.001 0.000 0.219 250 A C 2.176 179.801 177.584 0.068 0.000 1.182 250 A CA 1.978 54.057 52.037 0.070 0.000 0.633 250 A CB -0.705 18.336 19.000 0.068 0.000 0.819 250 A HN 0.755 nan 8.150 nan 0.000 0.448 251 L N -1.955 119.331 121.223 0.104 0.000 2.017 251 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 251 L C 2.226 179.124 176.870 0.047 0.000 1.073 251 L CA 2.174 57.070 54.840 0.093 0.000 0.745 251 L CB -0.705 41.465 42.059 0.184 0.000 0.894 251 L HN 0.398 nan 8.230 nan 0.000 0.432 252 F N 0.275 120.207 119.950 -0.030 0.000 2.126 252 F HA -0.111 4.415 4.527 -0.001 0.000 0.299 252 F C 2.241 178.053 175.800 0.020 0.000 1.096 252 F CA 1.818 59.794 58.000 -0.039 0.000 1.255 252 F CB -0.802 38.137 39.000 -0.101 0.000 0.997 252 F HN 0.170 nan 8.300 nan 0.000 0.479 253 G N -1.106 107.766 108.800 0.119 0.000 2.432 253 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.219 253 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.219 253 G C 1.418 176.291 174.900 -0.046 0.000 1.135 253 G CA 0.437 45.550 45.100 0.021 0.000 0.767 253 G HN 0.333 nan 8.290 nan 0.000 0.550 254 Q N -0.661 119.064 119.800 -0.126 0.000 2.403 254 Q HA 0.212 4.551 4.340 -0.001 0.000 0.203 254 Q C 1.145 176.898 176.000 -0.412 0.000 0.932 254 Q CA 0.040 55.733 55.803 -0.183 0.000 0.945 254 Q CB 0.008 28.672 28.738 -0.124 0.000 1.045 254 Q HN 0.620 nan 8.270 nan 0.000 0.511 255 M N -1.016 118.118 119.600 -0.777 0.000 2.732 255 M HA -0.208 4.272 4.480 -0.001 0.000 0.207 255 M C -0.095 175.333 176.300 -1.453 0.000 0.513 255 M CA 0.616 54.869 55.300 -1.745 0.000 0.652 255 M CB -1.966 30.047 32.600 -0.978 0.000 2.410 255 M HN 0.112 nan 8.290 nan 0.000 0.660 256 A N 0.062 122.383 122.820 -0.832 0.000 3.004 256 A HA 0.524 4.844 4.320 -0.001 0.000 0.286 256 A C 0.448 177.909 177.584 -0.205 0.000 1.632 256 A CA -0.285 51.525 52.037 -0.378 0.000 1.339 256 A CB -0.675 18.247 19.000 -0.130 0.000 1.136 256 A HN 0.447 nan 8.150 nan 0.000 0.577 257 F N 0.025 119.926 119.950 -0.083 0.000 2.714 257 F HA 0.170 4.697 4.527 -0.001 0.000 0.294 257 F C 0.930 176.752 175.800 0.036 0.000 1.120 257 F CA -0.059 57.903 58.000 -0.063 0.000 1.398 257 F CB 0.109 38.991 39.000 -0.196 0.000 1.120 257 F HN 0.318 nan 8.300 nan 0.000 0.589 258 E N 1.206 121.525 120.200 0.198 0.000 2.242 258 E HA 0.125 4.475 4.350 -0.001 0.000 0.275 258 E C -0.119 176.584 176.600 0.171 0.000 1.002 258 E CA -0.725 55.788 56.400 0.188 0.000 0.841 258 E CB 1.423 31.194 29.700 0.117 0.000 1.109 258 E HN 0.034 nan 8.360 nan 0.000 0.394 259 K N 0.248 120.757 120.400 0.182 0.000 2.569 259 K HA -0.081 4.238 4.320 -0.001 0.000 0.280 259 K C 0.943 177.600 176.600 0.095 0.000 0.984 259 K CA 1.397 57.767 56.287 0.138 0.000 1.064 259 K CB -0.066 32.499 32.500 0.109 0.000 0.866 259 K HN 0.730 nan 8.250 nan 0.000 0.492 260 G N 3.267 112.118 108.800 0.084 0.000 2.304 260 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.252 260 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.252 260 G C 0.215 175.143 174.900 0.048 0.000 1.014 260 G CA 0.402 45.537 45.100 0.059 0.000 0.619 260 G HN 0.581 nan 8.290 nan 0.000 0.525 261 M N 0.689 120.319 119.600 0.050 0.000 2.238 261 M HA 0.616 5.095 4.480 -0.001 0.000 0.347 261 M C 0.241 176.560 176.300 0.032 0.000 1.173 261 M CA 0.352 55.664 55.300 0.020 0.000 1.147 261 M CB 1.243 33.834 32.600 -0.015 0.000 1.547 261 M HN 0.350 nan 8.290 nan 0.000 0.455 262 I N 3.200 123.780 120.570 0.018 0.000 2.722 262 I HA 0.548 4.718 4.170 -0.001 0.000 0.295 262 I C -1.402 174.728 176.117 0.022 0.000 1.161 262 I CA -0.737 60.582 61.300 0.032 0.000 1.032 262 I CB 1.850 39.869 38.000 0.031 0.000 1.244 262 I HN 0.695 nan 8.210 nan 0.000 0.421 263 K N 4.607 125.026 120.400 0.032 0.000 2.433 263 K HA 0.610 4.929 4.320 -0.001 0.000 0.252 263 K C -1.384 175.227 176.600 0.019 0.000 1.015 263 K CA -0.774 55.530 56.287 0.029 0.000 0.860 263 K CB 1.129 33.646 32.500 0.028 0.000 1.359 263 K HN 0.377 nan 8.250 nan 0.000 0.452 264 N N -0.419 118.287 118.700 0.009 0.000 2.295 264 N HA 0.417 5.156 4.740 -0.001 0.000 0.293 264 N C -1.603 173.832 175.510 -0.125 0.000 1.040 264 N CA -0.423 52.553 53.050 -0.123 0.000 0.840 264 N CB 2.160 40.508 38.487 -0.233 0.000 1.468 264 N HN 0.683 nan 8.380 nan 0.000 0.478 265 T N 3.386 117.856 114.554 -0.139 0.000 2.749 265 T HA 0.333 4.683 4.350 -0.001 0.000 0.287 265 T C -0.655 173.936 174.700 -0.182 0.000 0.970 265 T CA -0.095 61.999 62.100 -0.011 0.000 0.980 265 T CB 0.066 68.996 68.868 0.104 0.000 0.924 265 T HN 0.252 nan 8.240 nan 0.000 0.456 266 Y N 2.278 122.622 120.300 0.073 0.000 2.518 266 Y HA 0.575 5.125 4.550 -0.001 0.000 0.344 266 Y C 0.984 176.941 175.900 0.095 0.000 0.982 266 Y CA -0.440 57.691 58.100 0.052 0.000 1.234 266 Y CB 0.865 39.333 38.460 0.014 0.000 1.114 266 Y HN 0.876 nan 8.280 nan 0.000 0.515 267 G N 0.444 109.378 108.800 0.222 0.000 3.183 267 G HA2 0.171 4.131 3.960 -0.001 0.000 0.247 267 G HA3 0.171 4.131 3.960 -0.001 0.000 0.247 267 G C 0.645 175.700 174.900 0.258 0.000 1.211 267 G CA -0.373 44.874 45.100 0.245 0.000 0.835 267 G HN 0.315 nan 8.290 nan 0.000 0.604 268 T N 0.398 115.149 114.554 0.328 0.000 2.624 268 T HA 0.001 4.351 4.350 -0.001 0.000 0.268 268 T C 1.411 176.346 174.700 0.390 0.000 1.041 268 T CA 1.868 64.197 62.100 0.382 0.000 1.159 268 T CB -0.649 68.535 68.868 0.528 0.000 0.863 268 T HN 0.743 nan 8.240 nan 0.000 0.434 269 G N -0.315 108.765 108.800 0.467 0.000 2.613 269 G HA2 0.657 4.617 3.960 -0.001 0.000 0.303 269 G HA3 0.657 4.617 3.960 -0.001 0.000 0.303 269 G C -1.198 173.546 174.900 -0.259 0.000 1.312 269 G CA -0.249 44.898 45.100 0.078 0.000 1.036 269 G HN 0.567 nan 8.290 nan 0.000 0.513 270 A N -0.975 121.362 122.820 -0.805 0.000 2.386 270 A HA 0.816 5.136 4.320 -0.001 0.000 0.311 270 A C -1.728 175.233 177.584 -1.038 0.000 1.068 270 A CA -0.585 51.070 52.037 -0.638 0.000 0.743 270 A CB 1.127 19.817 19.000 -0.517 0.000 1.258 270 A HN 0.551 nan 8.150 nan 0.000 0.429 271 F N 1.710 121.543 119.950 -0.196 0.000 2.671 271 F HA 0.471 4.997 4.527 -0.001 0.000 0.332 271 F C -0.605 175.132 175.800 -0.105 0.000 1.189 271 F CA -0.399 57.532 58.000 -0.116 0.000 0.988 271 F CB 1.729 40.695 39.000 -0.057 0.000 1.258 271 F HN 0.296 nan 8.300 nan 0.000 0.471 272 I N 4.186 124.767 120.570 0.019 0.000 2.342 272 I HA 0.454 4.623 4.170 -0.001 0.000 0.291 272 I C -0.359 175.816 176.117 0.096 0.000 1.010 272 I CA -0.703 60.606 61.300 0.015 0.000 1.308 272 I CB 1.164 39.148 38.000 -0.027 0.000 1.400 272 I HN 0.215 nan 8.210 nan 0.000 0.488 273 V N 7.127 127.100 119.914 0.097 0.000 2.482 273 V HA 0.474 4.594 4.120 -0.001 0.000 0.295 273 V C -0.268 175.890 176.094 0.107 0.000 1.026 273 V CA -0.641 61.734 62.300 0.124 0.000 0.856 273 V CB 1.616 33.524 31.823 0.142 0.000 1.001 273 V HN 0.748 nan 8.190 nan 0.000 0.424 274 M N 4.471 124.139 119.600 0.113 0.000 2.294 274 M HA 0.537 5.017 4.480 -0.001 0.000 0.335 274 M C -0.215 176.164 176.300 0.131 0.000 1.079 274 M CA -0.449 54.913 55.300 0.103 0.000 0.982 274 M CB 1.346 33.997 32.600 0.085 0.000 1.651 274 M HN 0.693 nan 8.290 nan 0.000 0.437 275 N N 2.498 121.284 118.700 0.143 0.000 2.468 275 N HA 0.051 4.791 4.740 -0.001 0.000 0.265 275 N C 0.144 175.750 175.510 0.160 0.000 1.199 275 N CA 0.468 53.627 53.050 0.182 0.000 0.928 275 N CB 0.978 39.598 38.487 0.221 0.000 1.059 275 N HN 0.792 nan 8.380 nan 0.000 0.467 276 T N 0.682 115.335 114.554 0.165 0.000 3.176 276 T HA 0.398 4.748 4.350 -0.001 0.000 0.263 276 T C 0.978 175.753 174.700 0.125 0.000 1.021 276 T CA 0.149 62.327 62.100 0.130 0.000 0.905 276 T CB -0.436 68.496 68.868 0.107 0.000 1.057 276 T HN 0.691 nan 8.240 nan 0.000 0.558 277 G N 2.294 111.200 108.800 0.178 0.000 2.553 277 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.242 277 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.242 277 G C 0.212 175.077 174.900 -0.057 0.000 1.277 277 G CA 0.022 45.186 45.100 0.107 0.000 0.910 277 G HN 0.414 nan 8.290 nan 0.000 0.576 278 E N 0.906 120.990 120.200 -0.193 0.000 2.479 278 E HA 0.143 4.493 4.350 -0.001 0.000 0.193 278 E C 0.245 176.845 176.600 -0.001 0.000 1.049 278 E CA 0.251 56.535 56.400 -0.194 0.000 0.870 278 E CB 0.294 29.799 29.700 -0.325 0.000 0.944 278 E HN 0.409 nan 8.360 nan 0.000 0.492 279 E N 1.501 121.678 120.200 -0.039 0.000 2.191 279 E HA 0.273 4.622 4.350 -0.001 0.000 0.274 279 E C -2.487 173.981 176.600 -0.221 0.000 0.948 279 E CA -2.652 53.660 56.400 -0.147 0.000 0.802 279 E CB 1.295 30.930 29.700 -0.110 0.000 1.137 279 E HN -0.089 nan 8.360 nan 0.000 0.397 280 P HA 0.013 nan 4.420 nan 0.000 0.269 280 P C -0.458 176.769 177.300 -0.122 0.000 1.215 280 P CA 0.095 63.003 63.100 -0.320 0.000 0.780 280 P CB 0.573 32.037 31.700 -0.393 0.000 0.898 281 Q N 1.122 120.899 119.800 -0.039 0.000 2.235 281 Q HA 0.258 4.598 4.340 -0.001 0.000 0.250 281 Q C 0.152 176.163 176.000 0.019 0.000 0.909 281 Q CA -0.892 54.910 55.803 -0.001 0.000 0.910 281 Q CB 0.796 29.552 28.738 0.031 0.000 1.223 281 Q HN 0.362 nan 8.270 nan 0.000 0.432 282 L N 3.194 124.430 121.223 0.023 0.000 3.461 282 L HA -0.108 4.231 4.340 -0.001 0.000 0.246 282 L C 1.415 178.332 176.870 0.078 0.000 1.454 282 L CA 1.064 55.934 54.840 0.051 0.000 1.091 282 L CB -2.351 39.723 42.059 0.024 0.000 1.512 282 L HN 0.985 nan 8.230 nan 0.000 0.444 283 S N -1.126 114.638 115.700 0.107 0.000 2.408 283 S HA -0.395 4.075 4.470 -0.001 0.000 0.255 283 S C 0.637 175.300 174.600 0.105 0.000 1.360 283 S CA 1.483 59.772 58.200 0.149 0.000 1.631 283 S CB -1.322 62.051 63.200 0.289 0.000 2.214 283 S HN 0.629 nan 8.310 nan 0.000 0.732 284 D N 0.930 121.363 120.400 0.056 0.000 8.786 284 D HA -0.178 4.461 4.640 -0.001 0.000 0.277 284 D C 0.284 176.499 176.300 -0.142 0.000 2.353 284 D CA 1.364 55.363 54.000 -0.003 0.000 1.985 284 D CB -0.612 40.209 40.800 0.035 0.000 0.940 284 D HN 0.635 nan 8.370 nan 0.000 0.770 285 N N 0.462 119.014 118.700 -0.246 0.000 2.678 285 N HA -0.127 4.613 4.740 -0.001 0.000 0.199 285 N C -0.022 175.459 175.510 -0.049 0.000 1.353 285 N CA 0.018 52.902 53.050 -0.277 0.000 0.916 285 N CB 0.149 38.451 38.487 -0.308 0.000 1.057 285 N HN 0.276 nan 8.380 nan 0.000 0.449 286 D N -0.483 119.967 120.400 0.083 0.000 2.388 286 D HA 0.160 4.800 4.640 -0.001 0.000 0.208 286 D C 0.344 176.952 176.300 0.514 0.000 1.035 286 D CA 0.430 54.616 54.000 0.311 0.000 0.875 286 D CB 0.846 41.752 40.800 0.178 0.000 0.984 286 D HN 0.161 nan 8.370 nan 0.000 0.508 287 L N 0.289 121.704 121.223 0.320 0.000 2.286 287 L HA 0.477 4.817 4.340 -0.001 0.000 0.265 287 L C -0.416 176.614 176.870 0.265 0.000 1.012 287 L CA -1.063 53.997 54.840 0.367 0.000 0.818 287 L CB 2.016 44.218 42.059 0.239 0.000 1.337 287 L HN -0.305 nan 8.230 nan 0.000 0.438 288 L N 0.231 121.631 121.223 0.295 0.000 2.307 288 L HA 0.436 4.776 4.340 -0.001 0.000 0.282 288 L C -0.230 176.741 176.870 0.168 0.000 1.051 288 L CA -0.461 54.494 54.840 0.191 0.000 0.804 288 L CB 1.482 43.693 42.059 0.253 0.000 1.197 288 L HN 0.521 nan 8.230 nan 0.000 0.431 289 T N 1.288 115.905 114.554 0.105 0.000 2.743 289 T HA 0.381 4.731 4.350 -0.001 0.000 0.293 289 T C 0.065 174.795 174.700 0.049 0.000 0.945 289 T CA -0.067 62.077 62.100 0.072 0.000 1.030 289 T CB 1.226 70.105 68.868 0.017 0.000 0.912 289 T HN 0.662 nan 8.240 nan 0.000 0.483 290 T N 2.429 117.048 114.554 0.108 0.000 2.838 290 T HA 0.639 4.989 4.350 -0.001 0.000 0.292 290 T C -0.846 173.919 174.700 0.109 0.000 1.113 290 T CA -0.741 61.413 62.100 0.089 0.000 1.008 290 T CB 0.829 69.757 68.868 0.100 0.000 1.259 290 T HN 0.439 nan 8.240 nan 0.000 0.520 291 I N 2.321 122.903 120.570 0.020 0.000 2.342 291 I HA 0.333 4.502 4.170 -0.001 0.000 0.291 291 I C 1.585 177.684 176.117 -0.030 0.000 1.010 291 I CA -0.318 60.909 61.300 -0.121 0.000 1.308 291 I CB 1.462 39.348 38.000 -0.190 0.000 1.400 291 I HN 0.888 nan 8.210 nan 0.000 0.488 292 G N 6.421 115.190 108.800 -0.051 0.000 2.425 292 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.213 292 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.213 292 G C -0.112 174.921 174.900 0.222 0.000 1.201 292 G CA 0.707 45.873 45.100 0.109 0.000 0.799 292 G HN 0.694 nan 8.290 nan 0.000 0.534 293 Y N -3.395 116.952 120.300 0.079 0.000 2.620 293 Y HA 0.597 5.146 4.550 -0.001 0.000 0.331 293 Y C -0.371 175.592 175.900 0.106 0.000 1.173 293 Y CA -1.447 56.697 58.100 0.074 0.000 1.076 293 Y CB 0.648 39.136 38.460 0.047 0.000 1.336 293 Y HN 0.259 nan 8.280 nan 0.000 0.459 294 G N 2.306 111.276 108.800 0.284 0.000 2.384 294 G HA2 0.635 4.594 3.960 -0.001 0.000 0.316 294 G HA3 0.635 4.594 3.960 -0.001 0.000 0.316 294 G C -1.678 173.398 174.900 0.294 0.000 1.160 294 G CA -0.754 44.518 45.100 0.287 0.000 0.936 294 G HN 0.923 nan 8.290 nan 0.000 0.455 295 I N 1.455 122.197 120.570 0.288 0.000 2.894 295 I HA 0.417 4.587 4.170 -0.001 0.000 0.302 295 I C -0.463 175.758 176.117 0.174 0.000 1.188 295 I CA -0.906 60.510 61.300 0.192 0.000 1.014 295 I CB 2.067 40.167 38.000 0.166 0.000 1.242 295 I HN 0.508 nan 8.210 nan 0.000 0.430 296 N N 4.410 123.175 118.700 0.108 0.000 2.747 296 N HA -0.184 4.556 4.740 -0.001 0.000 0.249 296 N C 0.718 176.286 175.510 0.097 0.000 1.107 296 N CA 1.374 54.479 53.050 0.092 0.000 0.707 296 N CB -1.403 37.145 38.487 0.102 0.000 1.054 296 N HN 1.220 nan 8.380 nan 0.000 0.555 297 G N -2.030 106.827 108.800 0.094 0.000 2.189 297 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.267 297 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.267 297 G C 0.190 175.132 174.900 0.069 0.000 0.975 297 G CA 1.242 46.389 45.100 0.079 0.000 0.644 297 G HN 0.449 nan 8.290 nan 0.000 0.537 298 K N -0.470 119.990 120.400 0.100 0.000 2.258 298 K HA 0.796 5.116 4.320 -0.001 0.000 0.236 298 K C -0.321 176.271 176.600 -0.014 0.000 1.008 298 K CA -0.935 55.366 56.287 0.024 0.000 0.869 298 K CB 2.240 34.768 32.500 0.047 0.000 1.171 298 K HN 0.195 nan 8.250 nan 0.000 0.447 299 V N 2.307 122.092 119.914 -0.216 0.000 2.376 299 V HA 0.287 4.407 4.120 -0.001 0.000 0.287 299 V C -1.177 174.608 176.094 -0.515 0.000 1.015 299 V CA -0.860 61.208 62.300 -0.386 0.000 0.834 299 V CB 0.641 32.093 31.823 -0.619 0.000 1.001 299 V HN 0.520 nan 8.190 nan 0.000 0.428 300 Y N 4.398 124.368 120.300 -0.551 0.000 2.336 300 Y HA 0.506 5.056 4.550 -0.001 0.000 0.335 300 Y C 0.047 175.629 175.900 -0.530 0.000 1.046 300 Y CA -0.180 57.609 58.100 -0.518 0.000 1.198 300 Y CB 0.781 38.782 38.460 -0.765 0.000 1.182 300 Y HN 0.519 nan 8.280 nan 0.000 0.502 301 Y N 1.378 121.627 120.300 -0.085 0.000 2.458 301 Y HA 0.735 5.285 4.550 -0.001 0.000 0.322 301 Y C 0.153 176.062 175.900 0.015 0.000 1.259 301 Y CA -0.912 57.155 58.100 -0.056 0.000 1.302 301 Y CB 1.471 39.885 38.460 -0.078 0.000 1.314 301 Y HN 0.589 nan 8.280 nan 0.000 0.509 302 A N 1.204 124.152 122.820 0.212 0.000 2.556 302 A HA 0.742 5.061 4.320 -0.001 0.000 0.294 302 A C -1.895 175.786 177.584 0.161 0.000 1.091 302 A CA -0.742 51.397 52.037 0.170 0.000 0.704 302 A CB 1.255 20.350 19.000 0.159 0.000 1.300 302 A HN 0.698 nan 8.150 nan 0.000 0.406 303 L N 0.979 122.291 121.223 0.147 0.000 2.325 303 L HA 0.664 5.003 4.340 -0.001 0.000 0.278 303 L C 0.043 177.014 176.870 0.169 0.000 1.023 303 L CA -0.319 54.610 54.840 0.148 0.000 0.811 303 L CB 1.774 43.908 42.059 0.125 0.000 1.249 303 L HN 0.927 nan 8.230 nan 0.000 0.431 304 E N 1.583 121.910 120.200 0.211 0.000 2.314 304 E HA 0.595 4.944 4.350 -0.001 0.000 0.272 304 E C -1.214 175.566 176.600 0.299 0.000 0.884 304 E CA -0.744 55.803 56.400 0.246 0.000 0.753 304 E CB 2.368 32.241 29.700 0.288 0.000 1.213 304 E HN 0.661 nan 8.360 nan 0.000 0.432 305 G N 1.674 110.604 108.800 0.216 0.000 2.544 305 G HA2 0.448 4.408 3.960 -0.001 0.000 0.313 305 G HA3 0.448 4.408 3.960 -0.001 0.000 0.313 305 G C -0.995 173.928 174.900 0.038 0.000 1.316 305 G CA -0.515 44.678 45.100 0.156 0.000 0.944 305 G HN 0.338 nan 8.290 nan 0.000 0.489 306 S N 1.254 116.933 115.700 -0.035 0.000 2.462 306 S HA 0.536 5.005 4.470 -0.001 0.000 0.294 306 S C -0.186 173.894 174.600 -0.866 0.000 1.144 306 S CA -0.381 57.652 58.200 -0.279 0.000 1.088 306 S CB 1.278 64.549 63.200 0.118 0.000 1.009 306 S HN 0.487 nan 8.310 nan 0.000 0.484 307 I N 3.605 123.594 120.570 -0.969 0.000 2.390 307 I HA 0.270 4.440 4.170 -0.001 0.000 0.283 307 I C -0.037 175.653 176.117 -0.710 0.000 1.016 307 I CA -0.485 60.328 61.300 -0.812 0.000 1.151 307 I CB 0.884 38.580 38.000 -0.506 0.000 1.293 307 I HN 0.557 nan 8.210 nan 0.000 0.458 308 F N 4.825 124.641 119.950 -0.223 0.000 2.146 308 F HA -0.036 4.491 4.527 -0.001 0.000 0.298 308 F C 1.175 177.053 175.800 0.129 0.000 1.096 308 F CA 0.721 58.754 58.000 0.054 0.000 1.275 308 F CB -0.300 38.742 39.000 0.071 0.000 1.008 308 F HN 0.096 nan 8.300 nan 0.000 0.480 309 V N -0.131 119.852 119.914 0.116 0.000 2.350 309 V HA 0.714 4.834 4.120 -0.001 0.000 0.285 309 V C 0.191 176.275 176.094 -0.017 0.000 1.014 309 V CA -0.008 62.331 62.300 0.066 0.000 0.831 309 V CB 0.616 32.362 31.823 -0.129 0.000 1.000 309 V HN 0.256 nan 8.190 nan 0.000 0.433 310 A N 4.303 127.156 122.820 0.054 0.000 1.873 310 A HA 0.566 4.885 4.320 -0.001 0.000 0.188 310 A C 1.892 179.541 177.584 0.109 0.000 2.054 310 A CA 0.728 52.789 52.037 0.041 0.000 1.506 310 A CB -0.723 18.284 19.000 0.012 0.000 1.084 310 A HN 0.789 nan 8.150 nan 0.000 0.620 311 G N 0.625 109.515 108.800 0.149 0.000 2.448 311 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.219 311 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.219 311 G C 1.710 176.726 174.900 0.194 0.000 1.127 311 G CA 2.035 47.234 45.100 0.165 0.000 0.766 311 G HN 1.117 nan 8.290 nan 0.000 0.552 312 S N 0.723 116.558 115.700 0.224 0.000 2.469 312 S HA 0.213 4.683 4.470 -0.001 0.000 0.238 312 S C 2.451 177.259 174.600 0.346 0.000 0.998 312 S CA 1.223 59.581 58.200 0.264 0.000 0.957 312 S CB -0.191 63.173 63.200 0.273 0.000 0.764 312 S HN 0.528 nan 8.310 nan 0.000 0.514 313 A N 1.491 124.482 122.820 0.284 0.000 1.969 313 A HA 0.140 4.460 4.320 -0.001 0.000 0.218 313 A C 2.017 179.872 177.584 0.452 0.000 1.169 313 A CA 1.292 53.561 52.037 0.387 0.000 0.635 313 A CB -0.596 18.488 19.000 0.140 0.000 0.810 313 A HN 0.556 nan 8.150 nan 0.000 0.445 314 I N 0.364 121.103 120.570 0.282 0.000 2.584 314 I HA -0.219 3.950 4.170 -0.001 0.000 0.255 314 I C 2.686 178.917 176.117 0.190 0.000 1.145 314 I CA 1.396 62.822 61.300 0.210 0.000 1.462 314 I CB -0.294 37.787 38.000 0.136 0.000 1.102 314 I HN 0.568 nan 8.210 nan 0.000 0.433 315 Q N -0.459 119.467 119.800 0.211 0.000 2.224 315 Q HA -0.244 4.096 4.340 -0.001 0.000 0.203 315 Q C 2.073 178.181 176.000 0.180 0.000 0.970 315 Q CA 1.381 57.283 55.803 0.165 0.000 0.865 315 Q CB -0.842 27.988 28.738 0.152 0.000 0.922 315 Q HN 0.615 nan 8.270 nan 0.000 0.445 316 W N 2.460 123.826 121.300 0.110 0.000 2.355 316 W HA -0.092 4.567 4.660 -0.000 0.000 0.309 316 W C 1.681 178.235 176.519 0.058 0.000 1.206 316 W CA 1.381 58.765 57.345 0.065 0.000 1.284 316 W CB -0.327 29.229 29.460 0.160 0.000 1.145 316 W HN 0.054 nan 8.180 nan 0.000 0.502 317 L N 0.406 121.580 121.223 -0.081 0.000 2.051 317 L HA -0.309 4.031 4.340 -0.001 0.000 0.214 317 L C 2.814 179.535 176.870 -0.248 0.000 1.076 317 L CA 2.163 56.849 54.840 -0.257 0.000 0.758 317 L CB -1.203 40.851 42.059 -0.009 0.000 0.890 317 L HN 0.066 nan 8.230 nan 0.000 0.433 318 R N -0.185 120.244 120.500 -0.119 0.000 2.062 318 R HA -0.116 4.224 4.340 -0.001 0.000 0.226 318 R C 1.576 177.801 176.300 -0.124 0.000 1.125 318 R CA 1.744 57.790 56.100 -0.090 0.000 0.966 318 R CB 0.073 30.359 30.300 -0.023 0.000 0.861 318 R HN 0.303 nan 8.270 nan 0.000 0.433 319 D N -1.525 118.801 120.400 -0.122 0.000 2.380 319 D HA 0.086 4.726 4.640 -0.001 0.000 0.212 319 D C 1.363 177.566 176.300 -0.162 0.000 1.021 319 D CA 0.964 54.900 54.000 -0.106 0.000 0.884 319 D CB 0.398 41.170 40.800 -0.047 0.000 1.001 319 D HN 0.415 nan 8.370 nan 0.000 0.506 320 G N 0.434 109.056 108.800 -0.297 0.000 2.524 320 G HA2 0.014 3.974 3.960 -0.001 0.000 0.210 320 G HA3 0.014 3.974 3.960 -0.001 0.000 0.210 320 G C 1.505 176.147 174.900 -0.430 0.000 1.187 320 G CA -0.108 44.787 45.100 -0.342 0.000 0.825 320 G HN 0.155 nan 8.290 nan 0.000 0.558 321 L N -0.203 120.575 121.223 -0.742 0.000 2.395 321 L HA 0.170 4.510 4.340 -0.001 0.000 0.218 321 L C 1.091 177.752 176.870 -0.349 0.000 1.130 321 L CA 0.170 54.680 54.840 -0.551 0.000 0.826 321 L CB -0.208 41.413 42.059 -0.730 0.000 0.941 321 L HN 0.217 nan 8.230 nan 0.000 0.451 322 R N -0.687 119.630 120.500 -0.305 0.000 3.405 322 R HA -0.251 4.089 4.340 -0.001 0.000 0.258 322 R C 1.196 177.382 176.300 -0.191 0.000 1.030 322 R CA 0.768 56.749 56.100 -0.199 0.000 0.691 322 R CB -1.894 28.316 30.300 -0.149 0.000 1.093 322 R HN 0.446 nan 8.270 nan 0.000 0.448 323 M N 0.535 119.997 119.600 -0.230 0.000 2.388 323 M HA 0.099 4.578 4.480 -0.001 0.000 0.265 323 M C 0.798 177.025 176.300 -0.123 0.000 1.088 323 M CA 1.189 56.368 55.300 -0.202 0.000 1.134 323 M CB 0.548 32.990 32.600 -0.264 0.000 1.384 323 M HN 0.377 nan 8.290 nan 0.000 0.447 324 I N -2.801 117.707 120.570 -0.103 0.000 2.740 324 I HA 0.371 4.540 4.170 -0.001 0.000 0.303 324 I C -0.060 176.023 176.117 -0.057 0.000 1.044 324 I CA -0.761 60.502 61.300 -0.061 0.000 1.064 324 I CB 1.873 39.854 38.000 -0.030 0.000 1.249 324 I HN 0.083 nan 8.210 nan 0.000 0.433 325 E N 1.858 122.034 120.200 -0.041 0.000 2.190 325 E HA 0.037 4.387 4.350 -0.001 0.000 0.191 325 E C 0.296 176.880 176.600 -0.026 0.000 0.978 325 E CA 0.937 57.315 56.400 -0.037 0.000 0.839 325 E CB 0.294 29.976 29.700 -0.030 0.000 0.787 325 E HN 0.853 nan 8.360 nan 0.000 0.473 326 T N -3.167 111.377 114.554 -0.017 0.000 2.894 326 T HA 0.281 4.631 4.350 -0.001 0.000 0.309 326 T C 0.644 175.347 174.700 0.005 0.000 1.208 326 T CA -0.706 61.391 62.100 -0.005 0.000 1.016 326 T CB 1.825 70.691 68.868 -0.002 0.000 1.192 326 T HN -0.224 nan 8.240 nan 0.000 0.491 327 S N 1.698 117.408 115.700 0.017 0.000 2.370 327 S HA 0.004 4.474 4.470 -0.001 0.000 0.226 327 S C -0.960 173.656 174.600 0.027 0.000 1.033 327 S CA 1.669 59.888 58.200 0.032 0.000 1.011 327 S CB -1.367 61.862 63.200 0.048 0.000 0.852 327 S HN 0.693 nan 8.310 nan 0.000 0.457 328 P HA -0.141 nan 4.420 nan 0.000 0.216 328 P C 1.451 178.755 177.300 0.008 0.000 1.153 328 P CA 1.079 64.188 63.100 0.015 0.000 0.858 328 P CB -0.030 31.677 31.700 0.013 0.000 0.789 329 Q N -0.107 119.696 119.800 0.004 0.000 2.268 329 Q HA -0.187 4.153 4.340 -0.001 0.000 0.210 329 Q C 2.074 178.074 176.000 0.000 0.000 0.988 329 Q CA 2.088 57.890 55.803 -0.001 0.000 0.883 329 Q CB -1.258 27.477 28.738 -0.006 0.000 0.911 329 Q HN 0.354 nan 8.270 nan 0.000 0.430 330 S N -0.559 115.146 115.700 0.008 0.000 2.370 330 S HA -0.267 4.203 4.470 -0.001 0.000 0.226 330 S C 1.902 176.500 174.600 -0.004 0.000 1.033 330 S CA 1.390 59.597 58.200 0.011 0.000 1.011 330 S CB -0.506 62.710 63.200 0.026 0.000 0.852 330 S HN 0.575 nan 8.310 nan 0.000 0.457 331 E N 1.308 121.503 120.200 -0.008 0.000 2.077 331 E HA -0.216 4.133 4.350 -0.001 0.000 0.193 331 E C 2.102 178.689 176.600 -0.021 0.000 0.989 331 E CA 1.394 57.781 56.400 -0.021 0.000 0.800 331 E CB -0.214 29.476 29.700 -0.017 0.000 0.746 331 E HN 0.746 nan 8.360 nan 0.000 0.452 332 E N 0.119 120.311 120.200 -0.013 0.000 2.028 332 E HA -0.156 4.194 4.350 -0.001 0.000 0.191 332 E C 2.201 178.792 176.600 -0.014 0.000 0.988 332 E CA 1.222 57.614 56.400 -0.012 0.000 0.799 332 E CB -0.047 29.648 29.700 -0.008 0.000 0.755 332 E HN 0.259 nan 8.360 nan 0.000 0.447 333 L N 0.404 121.620 121.223 -0.011 0.000 1.978 333 L HA -0.287 4.052 4.340 -0.001 0.000 0.218 333 L C 2.575 179.436 176.870 -0.014 0.000 1.075 333 L CA 1.487 56.322 54.840 -0.008 0.000 0.767 333 L CB -0.631 41.428 42.059 0.001 0.000 0.890 333 L HN 0.195 nan 8.230 nan 0.000 0.434 334 A N -0.322 122.484 122.820 -0.024 0.000 1.972 334 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 334 A C 2.483 180.034 177.584 -0.055 0.000 1.169 334 A CA 1.517 53.525 52.037 -0.049 0.000 0.635 334 A CB -0.674 18.279 19.000 -0.077 0.000 0.810 334 A HN 0.435 nan 8.150 nan 0.000 0.446 335 A N -0.368 122.427 122.820 -0.042 0.000 2.070 335 A HA -0.099 4.221 4.320 -0.001 0.000 0.220 335 A C 1.951 179.519 177.584 -0.027 0.000 1.159 335 A CA 1.672 53.687 52.037 -0.036 0.000 0.656 335 A CB -0.280 18.705 19.000 -0.024 0.000 0.800 335 A HN 0.522 nan 8.150 nan 0.000 0.453 336 K N -0.278 120.109 120.400 -0.023 0.000 2.404 336 K HA 0.347 4.666 4.320 -0.001 0.000 0.194 336 K C 0.548 177.138 176.600 -0.016 0.000 1.023 336 K CA 0.241 56.518 56.287 -0.016 0.000 1.094 336 K CB 0.199 32.692 32.500 -0.012 0.000 0.841 336 K HN 0.412 nan 8.250 nan 0.000 0.523 337 A N 1.579 124.385 122.820 -0.024 0.000 2.511 337 A HA 0.049 4.369 4.320 -0.001 0.000 0.242 337 A C 0.562 178.135 177.584 -0.019 0.000 1.069 337 A CA 0.293 52.317 52.037 -0.022 0.000 0.763 337 A CB 0.313 19.290 19.000 -0.039 0.000 1.001 337 A HN 0.061 nan 8.150 nan 0.000 0.498 338 K N 2.193 122.587 120.400 -0.009 0.000 2.438 338 K HA 0.138 4.458 4.320 -0.001 0.000 0.206 338 K C 0.956 177.556 176.600 0.000 0.000 1.081 338 K CA 0.612 56.897 56.287 -0.004 0.000 1.053 338 K CB 0.567 33.066 32.500 0.000 0.000 0.908 338 K HN 0.771 nan 8.250 nan 0.000 0.556 339 G N 1.259 110.057 108.800 -0.003 0.000 2.606 339 G HA2 0.012 3.972 3.960 -0.001 0.000 0.252 339 G HA3 0.012 3.972 3.960 -0.001 0.000 0.252 339 G C -0.014 174.887 174.900 0.002 0.000 1.206 339 G CA -0.313 44.789 45.100 0.002 0.000 0.861 339 G HN -0.013 nan 8.290 nan 0.000 0.561 340 D N 0.273 120.681 120.400 0.013 0.000 2.395 340 D HA -0.010 4.630 4.640 -0.001 0.000 0.250 340 D C 0.954 177.265 176.300 0.019 0.000 1.203 340 D CA 0.087 54.101 54.000 0.023 0.000 0.872 340 D CB -0.134 40.688 40.800 0.037 0.000 0.941 340 D HN 0.372 nan 8.370 nan 0.000 0.504 341 N N 0.709 119.399 118.700 -0.017 0.000 2.754 341 N HA -0.211 4.528 4.740 -0.001 0.000 0.248 341 N C 0.103 175.565 175.510 -0.081 0.000 1.093 341 N CA 0.471 53.487 53.050 -0.056 0.000 0.699 341 N CB -0.955 37.532 38.487 0.001 0.000 1.016 341 N HN 0.426 nan 8.380 nan 0.000 0.552 342 E N -1.226 118.944 120.200 -0.051 0.000 2.481 342 E HA 0.150 4.499 4.350 -0.001 0.000 0.198 342 E C -0.066 176.522 176.600 -0.020 0.000 1.027 342 E CA -0.055 56.351 56.400 0.011 0.000 0.900 342 E CB 0.775 30.531 29.700 0.092 0.000 0.993 342 E HN 0.100 nan 8.360 nan 0.000 0.482 343 V N 1.433 121.253 119.914 -0.157 0.000 2.509 343 V HA 0.199 4.319 4.120 -0.001 0.000 0.284 343 V C -0.685 175.230 176.094 -0.297 0.000 1.047 343 V CA -0.322 61.926 62.300 -0.085 0.000 0.952 343 V CB 0.404 32.181 31.823 -0.077 0.000 0.988 343 V HN 0.075 nan 8.190 nan 0.000 0.469 344 Y N 2.336 122.697 120.300 0.103 0.000 2.425 344 Y HA 0.627 5.177 4.550 -0.001 0.000 0.344 344 Y C -0.120 175.844 175.900 0.107 0.000 0.969 344 Y CA -0.776 57.417 58.100 0.154 0.000 1.052 344 Y CB 2.282 40.834 38.460 0.153 0.000 1.215 344 Y HN 0.332 nan 8.280 nan 0.000 0.451 345 V N 4.376 124.411 119.914 0.202 0.000 2.409 345 V HA 0.410 4.529 4.120 -0.001 0.000 0.291 345 V C -0.789 175.436 176.094 0.218 0.000 1.020 345 V CA -0.872 61.464 62.300 0.061 0.000 0.848 345 V CB 1.601 33.351 31.823 -0.123 0.000 0.990 345 V HN 0.519 nan 8.190 nan 0.000 0.430 346 V N 7.805 127.792 119.914 0.122 0.000 2.266 346 V HA 0.314 4.433 4.120 -0.001 0.000 0.271 346 V C -1.973 174.083 176.094 -0.063 0.000 1.032 346 V CA -1.310 61.031 62.300 0.069 0.000 0.806 346 V CB 1.576 33.337 31.823 -0.103 0.000 1.052 346 V HN 0.787 nan 8.190 nan 0.000 0.449 347 P HA 0.215 nan 4.420 nan 0.000 0.226 347 P C 0.434 177.302 177.300 -0.721 0.000 1.758 347 P CA -0.070 62.699 63.100 -0.551 0.000 0.896 347 P CB 0.350 31.698 31.700 -0.587 0.000 1.784 348 A N 0.169 122.796 122.820 -0.321 0.000 3.074 348 A HA 0.157 4.476 4.320 -0.001 0.000 0.251 348 A C 0.856 178.415 177.584 -0.043 0.000 1.695 348 A CA -0.356 51.583 52.037 -0.163 0.000 1.343 348 A CB -1.473 17.490 19.000 -0.062 0.000 1.078 348 A HN 0.043 nan 8.150 nan 0.000 0.644 349 F N 0.551 120.465 119.950 -0.059 0.000 2.154 349 F HA -0.148 4.379 4.527 -0.001 0.000 0.301 349 F C 2.517 178.294 175.800 -0.037 0.000 1.087 349 F CA 1.977 59.916 58.000 -0.103 0.000 1.274 349 F CB -0.955 37.942 39.000 -0.171 0.000 1.009 349 F HN 0.519 nan 8.300 nan 0.000 0.485 350 T N -2.556 112.098 114.554 0.167 0.000 3.174 350 T HA 0.599 4.948 4.350 -0.001 0.000 0.269 350 T C 0.611 175.357 174.700 0.077 0.000 1.017 350 T CA 0.167 62.319 62.100 0.087 0.000 0.899 350 T CB -0.177 68.702 68.868 0.017 0.000 1.077 350 T HN 0.535 nan 8.240 nan 0.000 0.552 351 G N 1.079 109.951 108.800 0.121 0.000 2.570 351 G HA2 0.063 4.022 3.960 -0.001 0.000 0.686 351 G HA3 0.063 4.022 3.960 -0.001 0.000 0.686 351 G C -1.133 173.882 174.900 0.191 0.000 1.257 351 G CA -1.070 44.118 45.100 0.147 0.000 0.846 351 G HN 0.493 nan 8.290 nan 0.000 0.627 352 L N 1.572 122.878 121.223 0.138 0.000 2.305 352 L HA 0.586 4.925 4.340 -0.001 0.000 0.281 352 L C 1.645 178.529 176.870 0.024 0.000 1.085 352 L CA 0.248 55.130 54.840 0.070 0.000 0.813 352 L CB 1.015 43.071 42.059 -0.004 0.000 1.157 352 L HN 0.981 nan 8.230 nan 0.000 0.436 353 G N 1.800 110.384 108.800 -0.360 0.000 2.666 353 G HA2 0.530 4.489 3.960 -0.001 0.000 0.207 353 G HA3 0.530 4.489 3.960 -0.001 0.000 0.207 353 G C -0.208 173.950 174.900 -1.236 0.000 1.481 353 G CA -0.108 44.303 45.100 -1.148 0.000 1.071 353 G HN 0.749 nan 8.290 nan 0.000 0.572 354 A N 0.373 122.270 122.820 -1.538 0.000 2.445 354 A HA 0.496 4.816 4.320 -0.001 0.000 0.242 354 A C -1.183 176.042 177.584 -0.598 0.000 1.075 354 A CA -0.699 50.703 52.037 -1.058 0.000 0.777 354 A CB 0.418 19.192 19.000 -0.376 0.000 1.013 354 A HN 0.386 nan 8.150 nan 0.000 0.493 355 P HA 0.024 nan 4.420 nan 0.000 0.255 355 P C -0.038 176.977 177.300 -0.475 0.000 1.301 355 P CA 0.804 63.607 63.100 -0.495 0.000 0.817 355 P CB -0.064 31.398 31.700 -0.398 0.000 1.259 356 Y N -1.610 118.562 120.300 -0.213 0.000 2.266 356 Y HA 0.114 4.664 4.550 -0.001 0.000 0.294 356 Y C 0.824 176.787 175.900 0.105 0.000 1.127 356 Y CA 0.131 58.202 58.100 -0.050 0.000 1.140 356 Y CB -1.180 37.230 38.460 -0.084 0.000 1.071 356 Y HN -0.118 nan 8.280 nan 0.000 0.525 357 W N 1.550 123.000 121.300 0.250 0.000 6.111 357 W HA -0.230 4.430 4.660 -0.001 0.000 0.409 357 W C -0.584 176.065 176.519 0.217 0.000 1.586 357 W CA 0.383 57.871 57.345 0.239 0.000 1.027 357 W CB -1.474 28.117 29.460 0.219 0.000 2.784 357 W HN 0.071 nan 8.180 nan 0.000 1.485 358 D N 0.457 121.044 120.400 0.311 0.000 2.443 358 D HA 0.298 4.938 4.640 -0.001 0.000 0.221 358 D C 1.210 177.626 176.300 0.195 0.000 1.097 358 D CA 0.410 54.541 54.000 0.219 0.000 0.865 358 D CB 0.868 41.748 40.800 0.134 0.000 1.034 358 D HN 0.038 nan 8.370 nan 0.000 0.511 359 S N 2.420 118.238 115.700 0.196 0.000 2.515 359 S HA -0.055 4.415 4.470 -0.001 0.000 0.231 359 S C 1.149 175.812 174.600 0.106 0.000 0.987 359 S CA 0.403 58.698 58.200 0.157 0.000 0.936 359 S CB -0.044 63.243 63.200 0.145 0.000 0.766 359 S HN 0.535 nan 8.310 nan 0.000 0.528 360 E N 1.209 121.465 120.200 0.093 0.000 2.447 360 E HA 0.345 4.694 4.350 -0.001 0.000 0.195 360 E C 0.858 177.503 176.600 0.076 0.000 1.028 360 E CA 0.163 56.603 56.400 0.066 0.000 0.876 360 E CB 0.141 29.867 29.700 0.043 0.000 0.885 360 E HN 0.668 nan 8.360 nan 0.000 0.500 361 A N 1.586 124.454 122.820 0.081 0.000 2.406 361 A HA 0.303 4.622 4.320 -0.001 0.000 0.243 361 A C 0.378 178.025 177.584 0.106 0.000 1.082 361 A CA -0.022 52.064 52.037 0.082 0.000 0.786 361 A CB 0.499 19.511 19.000 0.019 0.000 1.029 361 A HN -0.021 nan 8.150 nan 0.000 0.495 362 R N -0.326 120.257 120.500 0.139 0.000 2.922 362 R HA 0.544 4.884 4.340 -0.001 0.000 0.256 362 R C 0.337 176.693 176.300 0.093 0.000 1.138 362 R CA -0.171 56.013 56.100 0.141 0.000 0.995 362 R CB 0.988 31.403 30.300 0.192 0.000 1.226 362 R HN 0.927 nan 8.270 nan 0.000 0.481 363 G N -0.184 108.685 108.800 0.115 0.000 2.483 363 G HA2 0.487 4.447 3.960 -0.001 0.000 0.248 363 G HA3 0.487 4.447 3.960 -0.001 0.000 0.248 363 G C -0.830 174.054 174.900 -0.027 0.000 1.248 363 G CA 0.152 45.276 45.100 0.041 0.000 0.838 363 G HN 0.566 nan 8.290 nan 0.000 0.566 364 A N 0.581 123.360 122.820 -0.069 0.000 2.587 364 A HA 0.803 5.123 4.320 -0.001 0.000 0.293 364 A C -1.166 176.261 177.584 -0.261 0.000 1.087 364 A CA -0.518 51.391 52.037 -0.213 0.000 0.692 364 A CB 1.977 20.907 19.000 -0.116 0.000 1.291 364 A HN 1.222 nan 8.150 nan 0.000 0.407 365 V N 0.463 120.036 119.914 -0.568 0.000 2.841 365 V HA 0.780 4.899 4.120 -0.001 0.000 0.310 365 V C -1.342 174.255 176.094 -0.827 0.000 1.090 365 V CA -0.356 61.697 62.300 -0.412 0.000 0.930 365 V CB 1.677 33.407 31.823 -0.154 0.000 1.014 365 V HN 0.793 nan 8.190 nan 0.000 0.425 366 F N 0.495 120.459 119.950 0.024 0.000 2.626 366 F HA 0.761 5.288 4.527 -0.001 0.000 0.311 366 F C 0.865 176.714 175.800 0.082 0.000 1.088 366 F CA 0.077 58.097 58.000 0.035 0.000 0.949 366 F CB 2.276 41.281 39.000 0.009 0.000 1.322 366 F HN 0.749 nan 8.300 nan 0.000 0.461 367 G N 1.332 110.286 108.800 0.257 0.000 2.132 367 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.228 367 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.228 367 G C -0.460 174.512 174.900 0.120 0.000 1.000 367 G CA -0.476 44.741 45.100 0.195 0.000 0.693 367 G HN 0.538 nan 8.290 nan 0.000 0.515 368 L N 1.331 122.610 121.223 0.094 0.000 2.426 368 L HA 0.607 4.947 4.340 -0.001 0.000 0.271 368 L C 1.253 178.161 176.870 0.062 0.000 1.169 368 L CA 0.559 55.447 54.840 0.080 0.000 0.836 368 L CB 1.052 43.157 42.059 0.076 0.000 1.112 368 L HN 0.466 nan 8.230 nan 0.000 0.465 369 T N -1.593 112.994 114.554 0.056 0.000 2.864 369 T HA 0.290 4.640 4.350 -0.001 0.000 0.289 369 T C 0.785 175.505 174.700 0.033 0.000 1.082 369 T CA -0.944 61.181 62.100 0.041 0.000 1.009 369 T CB 1.548 70.439 68.868 0.039 0.000 1.234 369 T HN 0.659 nan 8.240 nan 0.000 0.526 370 R N 0.138 120.652 120.500 0.023 0.000 2.139 370 R HA -0.058 4.282 4.340 -0.001 0.000 0.243 370 R C 1.839 178.148 176.300 0.015 0.000 1.145 370 R CA 2.057 58.165 56.100 0.015 0.000 0.976 370 R CB -1.192 29.114 30.300 0.010 0.000 0.866 370 R HN 0.816 nan 8.270 nan 0.000 0.449 371 G N 0.485 109.297 108.800 0.020 0.000 2.920 371 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.208 371 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.208 371 G C 0.029 174.944 174.900 0.025 0.000 1.159 371 G CA 0.049 45.161 45.100 0.019 0.000 0.784 371 G HN 0.269 nan 8.290 nan 0.000 0.535 372 T N 1.832 116.409 114.554 0.037 0.000 2.853 372 T HA 0.386 4.736 4.350 -0.001 0.000 0.298 372 T C 0.730 175.459 174.700 0.049 0.000 0.978 372 T CA 0.295 62.429 62.100 0.056 0.000 1.152 372 T CB 1.047 69.972 68.868 0.095 0.000 0.914 372 T HN 0.309 nan 8.240 nan 0.000 0.539 373 T N 0.273 114.858 114.554 0.051 0.000 2.952 373 T HA 0.428 4.778 4.350 -0.001 0.000 0.286 373 T C 1.330 176.066 174.700 0.060 0.000 1.024 373 T CA -1.180 60.939 62.100 0.032 0.000 1.029 373 T CB 1.708 70.587 68.868 0.017 0.000 1.094 373 T HN 0.495 nan 8.240 nan 0.000 0.515 374 K N 0.405 120.816 120.400 0.017 0.000 2.089 374 K HA -0.261 4.059 4.320 -0.001 0.000 0.210 374 K C 1.761 178.407 176.600 0.077 0.000 1.048 374 K CA 2.190 58.486 56.287 0.015 0.000 0.926 374 K CB -0.224 32.258 32.500 -0.031 0.000 0.714 374 K HN 0.701 nan 8.250 nan 0.000 0.448 375 E N 0.756 120.982 120.200 0.043 0.000 2.110 375 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 375 E C 1.760 178.384 176.600 0.041 0.000 0.988 375 E CA 1.502 57.922 56.400 0.032 0.000 0.804 375 E CB -0.098 29.607 29.700 0.007 0.000 0.745 375 E HN 0.362 nan 8.360 nan 0.000 0.458 376 D N -0.420 120.012 120.400 0.053 0.000 2.117 376 D HA -0.131 4.509 4.640 -0.001 0.000 0.198 376 D C 1.663 177.995 176.300 0.053 0.000 0.982 376 D CA 0.663 54.681 54.000 0.029 0.000 0.828 376 D CB -0.277 40.547 40.800 0.040 0.000 0.967 376 D HN 0.136 nan 8.370 nan 0.000 0.464 377 F N 1.245 121.182 119.950 -0.020 0.000 2.113 377 F HA -0.197 4.330 4.527 -0.001 0.000 0.297 377 F C 2.228 178.035 175.800 0.013 0.000 1.103 377 F CA 0.931 58.933 58.000 0.004 0.000 1.248 377 F CB -0.083 38.921 39.000 0.007 0.000 0.999 377 F HN -0.232 nan 8.300 nan 0.000 0.475 378 V N 1.056 121.132 119.914 0.269 0.000 2.255 378 V HA -0.343 3.776 4.120 -0.001 0.000 0.247 378 V C 2.533 178.636 176.094 0.015 0.000 1.051 378 V CA 2.385 64.770 62.300 0.142 0.000 1.018 378 V CB -0.874 31.008 31.823 0.099 0.000 0.641 378 V HN 0.331 nan 8.190 nan 0.000 0.445 379 R N 0.347 120.828 120.500 -0.032 0.000 2.083 379 R HA -0.200 4.139 4.340 -0.001 0.000 0.237 379 R C 2.321 178.519 176.300 -0.171 0.000 1.137 379 R CA 1.851 57.878 56.100 -0.120 0.000 0.951 379 R CB -0.569 29.648 30.300 -0.138 0.000 0.851 379 R HN 0.473 nan 8.270 nan 0.000 0.434 380 A N 0.022 122.744 122.820 -0.164 0.000 1.917 380 A HA -0.184 4.136 4.320 -0.001 0.000 0.219 380 A C 2.207 179.732 177.584 -0.099 0.000 1.182 380 A CA 2.213 54.149 52.037 -0.167 0.000 0.633 380 A CB -1.027 17.838 19.000 -0.224 0.000 0.819 380 A HN 0.519 nan 8.150 nan 0.000 0.448 381 T N 0.359 114.848 114.554 -0.109 0.000 2.708 381 T HA -0.078 4.272 4.350 -0.001 0.000 0.266 381 T C 1.825 176.527 174.700 0.003 0.000 1.037 381 T CA 1.431 63.519 62.100 -0.020 0.000 1.146 381 T CB -0.377 68.533 68.868 0.070 0.000 0.865 381 T HN 0.375 nan 8.240 nan 0.000 0.435 382 L N 0.753 121.955 121.223 -0.035 0.000 2.017 382 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 382 L C 2.837 179.640 176.870 -0.112 0.000 1.073 382 L CA 1.475 56.277 54.840 -0.063 0.000 0.745 382 L CB -0.587 41.413 42.059 -0.099 0.000 0.894 382 L HN 0.323 nan 8.230 nan 0.000 0.432 383 Q N -0.476 119.204 119.800 -0.199 0.000 2.364 383 Q HA -0.130 4.209 4.340 -0.001 0.000 0.207 383 Q C 2.358 178.287 176.000 -0.118 0.000 0.970 383 Q CA 0.952 56.576 55.803 -0.298 0.000 0.888 383 Q CB -0.190 28.223 28.738 -0.541 0.000 0.951 383 Q HN 0.543 nan 8.270 nan 0.000 0.469 384 A N 0.642 123.469 122.820 0.011 0.000 1.892 384 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 384 A C 2.265 179.760 177.584 -0.150 0.000 1.188 384 A CA 1.757 53.801 52.037 0.011 0.000 0.631 384 A CB -1.030 18.070 19.000 0.167 0.000 0.822 384 A HN 0.312 nan 8.150 nan 0.000 0.447 385 V N -0.490 119.392 119.914 -0.053 0.000 2.490 385 V HA -0.134 3.986 4.120 -0.001 0.000 0.250 385 V C 2.743 178.816 176.094 -0.034 0.000 1.061 385 V CA 2.247 64.531 62.300 -0.026 0.000 1.064 385 V CB -0.661 31.199 31.823 0.061 0.000 0.670 385 V HN 0.628 nan 8.190 nan 0.000 0.461 386 A N -1.429 121.356 122.820 -0.059 0.000 1.897 386 A HA -0.135 4.184 4.320 -0.001 0.000 0.215 386 A C 2.000 179.460 177.584 -0.207 0.000 1.181 386 A CA 1.707 53.697 52.037 -0.078 0.000 0.620 386 A CB -0.754 18.248 19.000 0.004 0.000 0.821 386 A HN 0.608 nan 8.150 nan 0.000 0.443 387 Y N -0.228 119.868 120.300 -0.340 0.000 2.114 387 Y HA -0.221 4.328 4.550 -0.001 0.000 0.284 387 Y C 2.688 178.255 175.900 -0.555 0.000 1.143 387 Y CA 1.766 59.454 58.100 -0.686 0.000 1.135 387 Y CB -0.758 36.642 38.460 -1.767 0.000 0.980 387 Y HN 0.423 nan 8.280 nan 0.000 0.499 388 Q N -0.445 119.162 119.800 -0.322 0.000 2.170 388 Q HA -0.164 4.175 4.340 -0.001 0.000 0.203 388 Q C 2.233 178.235 176.000 0.003 0.000 0.976 388 Q CA 1.637 57.475 55.803 0.060 0.000 0.858 388 Q CB -0.086 28.743 28.738 0.153 0.000 0.907 388 Q HN 0.387 nan 8.270 nan 0.000 0.433 389 S N 0.406 116.066 115.700 -0.066 0.000 2.402 389 S HA -0.152 4.318 4.470 -0.001 0.000 0.229 389 S C 1.647 176.216 174.600 -0.051 0.000 1.021 389 S CA 1.255 59.410 58.200 -0.074 0.000 0.974 389 S CB -0.122 63.040 63.200 -0.063 0.000 0.800 389 S HN 0.343 nan 8.310 nan 0.000 0.484 390 K N 1.247 121.617 120.400 -0.050 0.000 2.097 390 K HA -0.132 4.187 4.320 -0.001 0.000 0.205 390 K C 1.170 177.773 176.600 0.005 0.000 1.050 390 K CA 1.493 57.732 56.287 -0.079 0.000 0.938 390 K CB -0.120 32.270 32.500 -0.185 0.000 0.718 390 K HN 0.123 nan 8.250 nan 0.000 0.442 391 D N 0.564 121.060 120.400 0.162 0.000 2.133 391 D HA -0.169 4.470 4.640 -0.001 0.000 0.195 391 D C 1.958 178.274 176.300 0.026 0.000 0.997 391 D CA 1.224 55.334 54.000 0.183 0.000 0.840 391 D CB -0.244 40.691 40.800 0.226 0.000 0.947 391 D HN 0.074 nan 8.370 nan 0.000 0.452 392 V N 0.872 120.777 119.914 -0.014 0.000 2.323 392 V HA -0.160 3.960 4.120 -0.001 0.000 0.244 392 V C 2.539 178.624 176.094 -0.015 0.000 1.041 392 V CA 0.972 63.248 62.300 -0.040 0.000 1.025 392 V CB -0.261 31.523 31.823 -0.065 0.000 0.656 392 V HN 0.139 nan 8.190 nan 0.000 0.451 393 I N 0.165 120.722 120.570 -0.023 0.000 2.252 393 I HA -0.216 3.954 4.170 -0.001 0.000 0.245 393 I C 2.244 178.348 176.117 -0.020 0.000 1.102 393 I CA 1.456 62.744 61.300 -0.020 0.000 1.385 393 I CB -0.446 37.531 38.000 -0.038 0.000 1.064 393 I HN 0.320 nan 8.210 nan 0.000 0.414 394 D N 0.456 120.836 120.400 -0.033 0.000 2.133 394 D HA -0.171 4.469 4.640 -0.001 0.000 0.195 394 D C 2.189 178.491 176.300 0.003 0.000 0.997 394 D CA 1.646 55.632 54.000 -0.022 0.000 0.840 394 D CB -0.529 40.253 40.800 -0.031 0.000 0.947 394 D HN 0.269 nan 8.370 nan 0.000 0.452 395 T N 0.669 115.228 114.554 0.008 0.000 2.684 395 T HA -0.156 4.194 4.350 -0.001 0.000 0.267 395 T C 2.131 176.847 174.700 0.027 0.000 1.036 395 T CA 1.106 63.216 62.100 0.017 0.000 1.148 395 T CB -0.220 68.654 68.868 0.009 0.000 0.863 395 T HN 0.156 nan 8.240 nan 0.000 0.436 396 M N 0.605 120.222 119.600 0.029 0.000 2.117 396 M HA -0.108 4.372 4.480 -0.001 0.000 0.262 396 M C 2.347 178.663 176.300 0.027 0.000 1.065 396 M CA 1.639 56.961 55.300 0.037 0.000 1.114 396 M CB -0.316 32.306 32.600 0.037 0.000 1.361 396 M HN 0.173 nan 8.290 nan 0.000 0.408 397 K N 0.102 120.510 120.400 0.014 0.000 2.057 397 K HA -0.148 4.172 4.320 -0.001 0.000 0.207 397 K C 1.977 178.585 176.600 0.013 0.000 1.049 397 K CA 1.170 57.463 56.287 0.010 0.000 0.931 397 K CB -0.291 32.209 32.500 -0.001 0.000 0.714 397 K HN 0.326 nan 8.250 nan 0.000 0.440 398 K N 1.071 121.479 120.400 0.014 0.000 2.044 398 K HA -0.224 4.095 4.320 -0.001 0.000 0.210 398 K C 1.850 178.463 176.600 0.021 0.000 1.049 398 K CA 2.000 58.297 56.287 0.017 0.000 0.927 398 K CB -0.194 32.318 32.500 0.019 0.000 0.713 398 K HN 0.108 nan 8.250 nan 0.000 0.443 399 D N -0.359 120.058 120.400 0.028 0.000 2.348 399 D HA -0.067 4.572 4.640 -0.001 0.000 0.216 399 D C 0.781 177.097 176.300 0.027 0.000 0.970 399 D CA 0.737 54.755 54.000 0.031 0.000 0.889 399 D CB 0.235 41.061 40.800 0.044 0.000 0.912 399 D HN 0.140 nan 8.370 nan 0.000 0.524 400 S N -1.928 113.788 115.700 0.026 0.000 2.902 400 S HA 0.404 4.874 4.470 -0.001 0.000 0.250 400 S C 1.541 176.152 174.600 0.018 0.000 1.046 400 S CA 0.127 58.342 58.200 0.024 0.000 1.069 400 S CB 0.066 63.284 63.200 0.031 0.000 0.967 400 S HN 0.242 nan 8.310 nan 0.000 0.530 401 G N 1.289 110.098 108.800 0.014 0.000 2.279 401 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.269 401 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.269 401 G C -0.015 174.891 174.900 0.010 0.000 0.992 401 G CA 1.199 46.306 45.100 0.011 0.000 0.656 401 G HN 0.622 nan 8.290 nan 0.000 0.551 402 I N 1.229 121.806 120.570 0.012 0.000 2.339 402 I HA 0.370 4.539 4.170 -0.001 0.000 0.290 402 I C 0.250 176.371 176.117 0.007 0.000 0.994 402 I CA -1.527 59.779 61.300 0.011 0.000 1.191 402 I CB 1.460 39.469 38.000 0.016 0.000 1.343 402 I HN 0.066 nan 8.210 nan 0.000 0.458 403 D N 5.550 125.951 120.400 0.003 0.000 2.474 403 D HA 0.134 4.773 4.640 -0.001 0.000 0.232 403 D C -0.351 175.949 176.300 0.000 0.000 1.177 403 D CA 1.058 55.057 54.000 -0.002 0.000 0.876 403 D CB 0.565 41.362 40.800 -0.004 0.000 1.208 403 D HN 0.314 nan 8.370 nan 0.000 0.464 404 I N 3.911 124.478 120.570 -0.005 0.000 2.382 404 I HA 0.215 4.385 4.170 -0.001 0.000 0.285 404 I C -1.619 174.492 176.117 -0.009 0.000 1.007 404 I CA -1.430 59.867 61.300 -0.004 0.000 1.142 404 I CB 1.997 39.995 38.000 -0.003 0.000 1.289 404 I HN 0.393 nan 8.210 nan 0.000 0.453 405 P HA 0.167 nan 4.420 nan 0.000 0.259 405 P C -0.202 177.094 177.300 -0.007 0.000 1.233 405 P CA 0.208 63.303 63.100 -0.009 0.000 0.827 405 P CB 1.069 32.765 31.700 -0.007 0.000 1.154 406 L N 0.319 121.540 121.223 -0.004 0.000 2.476 406 L HA 0.546 4.885 4.340 -0.001 0.000 0.269 406 L C -1.567 175.306 176.870 0.005 0.000 0.965 406 L CA -1.146 53.695 54.840 0.001 0.000 0.845 406 L CB 2.086 44.144 42.059 -0.003 0.000 1.259 406 L HN -0.254 nan 8.230 nan 0.000 0.403 407 L N 4.837 126.069 121.223 0.015 0.000 2.296 407 L HA 0.565 4.904 4.340 -0.001 0.000 0.286 407 L C -0.591 176.304 176.870 0.041 0.000 1.023 407 L CA -0.077 54.778 54.840 0.025 0.000 0.812 407 L CB 0.992 43.067 42.059 0.026 0.000 1.223 407 L HN 0.578 nan 8.230 nan 0.000 0.421 408 K N 4.372 124.792 120.400 0.034 0.000 2.144 408 K HA 0.656 4.976 4.320 -0.001 0.000 0.270 408 K C -0.913 175.735 176.600 0.080 0.000 1.005 408 K CA -0.633 55.679 56.287 0.043 0.000 0.932 408 K CB 1.755 34.258 32.500 0.006 0.000 1.021 408 K HN 0.553 nan 8.250 nan 0.000 0.462 409 V N -1.203 118.779 119.914 0.113 0.000 2.925 409 V HA 0.635 4.755 4.120 -0.001 0.000 0.311 409 V C -1.282 174.909 176.094 0.162 0.000 1.104 409 V CA -0.892 61.522 62.300 0.190 0.000 0.954 409 V CB 1.886 33.868 31.823 0.264 0.000 1.022 409 V HN 1.017 nan 8.190 nan 0.000 0.427 410 D N 0.589 121.111 120.400 0.203 0.000 2.759 410 D HA 0.847 5.487 4.640 -0.001 0.000 0.321 410 D C 0.003 176.435 176.300 0.221 0.000 1.267 410 D CA -0.104 53.995 54.000 0.165 0.000 0.933 410 D CB 1.266 42.133 40.800 0.112 0.000 1.431 410 D HN 2.050 nan 8.370 nan 0.000 0.504 411 G N -2.263 106.639 108.800 0.171 0.000 2.629 411 G HA2 0.367 4.326 3.960 -0.001 0.000 0.686 411 G HA3 0.367 4.326 3.960 -0.001 0.000 0.686 411 G C 0.749 175.744 174.900 0.158 0.000 1.232 411 G CA 0.061 45.271 45.100 0.182 0.000 0.803 411 G HN 1.213 nan 8.290 nan 0.000 0.638 412 G N 0.181 109.067 108.800 0.143 0.000 2.469 412 G HA2 0.167 4.127 3.960 -0.001 0.000 0.219 412 G HA3 0.167 4.127 3.960 -0.001 0.000 0.219 412 G C 1.993 176.947 174.900 0.090 0.000 1.150 412 G CA 2.796 47.962 45.100 0.110 0.000 0.763 412 G HN 2.082 nan 8.290 nan 0.000 0.561 413 A N 0.467 123.357 122.820 0.116 0.000 2.169 413 A HA 0.581 4.901 4.320 -0.001 0.000 0.212 413 A C 2.491 180.048 177.584 -0.045 0.000 1.153 413 A CA 1.349 53.422 52.037 0.060 0.000 0.756 413 A CB -0.262 18.804 19.000 0.111 0.000 0.813 413 A HN 0.751 nan 8.150 nan 0.000 0.471 414 A N 1.042 123.848 122.820 -0.023 0.000 2.248 414 A HA -0.055 4.265 4.320 -0.001 0.000 0.210 414 A C 1.835 179.364 177.584 -0.092 0.000 1.174 414 A CA 1.224 53.159 52.037 -0.171 0.000 0.750 414 A CB -0.593 18.396 19.000 -0.017 0.000 0.780 414 A HN 0.706 nan 8.150 nan 0.000 0.478 415 K N -0.384 119.998 120.400 -0.029 0.000 2.439 415 K HA -0.059 4.261 4.320 -0.001 0.000 0.197 415 K C 0.477 177.064 176.600 -0.023 0.000 1.041 415 K CA 0.493 56.782 56.287 0.003 0.000 0.970 415 K CB -0.274 32.240 32.500 0.024 0.000 0.773 415 K HN 0.274 nan 8.250 nan 0.000 0.479 416 N N 2.391 121.040 118.700 -0.085 0.000 2.402 416 N HA -0.022 4.718 4.740 -0.001 0.000 0.259 416 N C -0.377 175.043 175.510 -0.150 0.000 1.167 416 N CA 0.083 53.073 53.050 -0.100 0.000 0.949 416 N CB 0.951 39.367 38.487 -0.117 0.000 1.212 416 N HN 0.058 nan 8.380 nan 0.000 0.493 417 D N 3.102 123.469 120.400 -0.055 0.000 2.097 417 D HA -0.128 4.511 4.640 -0.001 0.000 0.195 417 D C 1.692 177.927 176.300 -0.108 0.000 0.989 417 D CA 0.974 54.973 54.000 -0.002 0.000 0.827 417 D CB 0.204 41.114 40.800 0.183 0.000 0.966 417 D HN 0.417 nan 8.370 nan 0.000 0.456 418 L N 0.334 121.520 121.223 -0.060 0.000 2.042 418 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 418 L C 2.276 179.071 176.870 -0.125 0.000 1.076 418 L CA 0.929 55.729 54.840 -0.066 0.000 0.749 418 L CB -0.769 41.255 42.059 -0.058 0.000 0.893 418 L HN 0.086 nan 8.230 nan 0.000 0.432 419 L N -1.358 119.753 121.223 -0.186 0.000 2.046 419 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 419 L C 2.351 179.046 176.870 -0.291 0.000 1.077 419 L CA 1.733 56.450 54.840 -0.205 0.000 0.747 419 L CB -0.486 41.419 42.059 -0.257 0.000 0.896 419 L HN 0.203 nan 8.230 nan 0.000 0.432 420 M N -1.229 118.065 119.600 -0.510 0.000 2.117 420 M HA -0.204 4.275 4.480 -0.001 0.000 0.262 420 M C 2.292 178.195 176.300 -0.661 0.000 1.065 420 M CA 1.611 56.447 55.300 -0.775 0.000 1.114 420 M CB -1.323 30.492 32.600 -1.308 0.000 1.361 420 M HN 0.375 nan 8.290 nan 0.000 0.408 421 Q N 0.141 119.646 119.800 -0.492 0.000 2.079 421 Q HA -0.124 4.216 4.340 -0.001 0.000 0.200 421 Q C 1.911 177.873 176.000 -0.063 0.000 0.974 421 Q CA 1.485 57.223 55.803 -0.108 0.000 0.840 421 Q CB -0.595 28.190 28.738 0.079 0.000 0.898 421 Q HN 0.393 nan 8.270 nan 0.000 0.430 422 F N 0.805 120.632 119.950 -0.205 0.000 2.095 422 F HA -0.233 4.294 4.527 -0.001 0.000 0.298 422 F C 2.249 177.914 175.800 -0.225 0.000 1.104 422 F CA 2.064 59.944 58.000 -0.201 0.000 1.232 422 F CB -0.528 38.330 39.000 -0.236 0.000 0.987 422 F HN 0.223 nan 8.300 nan 0.000 0.475 423 Q N 0.889 120.563 119.800 -0.209 0.000 2.014 423 Q HA -0.223 4.117 4.340 -0.001 0.000 0.207 423 Q C 2.270 178.108 176.000 -0.270 0.000 0.993 423 Q CA 2.619 58.264 55.803 -0.264 0.000 0.850 423 Q CB -1.020 27.602 28.738 -0.193 0.000 0.916 423 Q HN 0.455 nan 8.270 nan 0.000 0.417 424 A N 0.276 122.979 122.820 -0.195 0.000 1.908 424 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 424 A C 1.936 179.423 177.584 -0.162 0.000 1.181 424 A CA 1.954 53.919 52.037 -0.121 0.000 0.627 424 A CB -0.991 18.001 19.000 -0.013 0.000 0.818 424 A HN 0.524 nan 8.150 nan 0.000 0.445 425 D N -0.028 120.246 120.400 -0.210 0.000 2.104 425 D HA -0.160 4.480 4.640 -0.001 0.000 0.194 425 D C 1.837 177.960 176.300 -0.296 0.000 0.994 425 D CA 1.927 55.796 54.000 -0.219 0.000 0.830 425 D CB -0.369 40.290 40.800 -0.235 0.000 0.959 425 D HN 0.665 nan 8.370 nan 0.000 0.452 426 I N -1.919 118.356 120.570 -0.492 0.000 2.716 426 I HA -0.007 4.162 4.170 -0.001 0.000 0.259 426 I C 2.085 178.007 176.117 -0.326 0.000 1.172 426 I CA 0.775 61.796 61.300 -0.465 0.000 1.478 426 I CB -0.577 37.009 38.000 -0.689 0.000 1.104 426 I HN -0.114 nan 8.210 nan 0.000 0.439 427 L N 0.544 121.593 121.223 -0.289 0.000 2.141 427 L HA -0.109 4.231 4.340 -0.001 0.000 0.209 427 L C 0.757 177.533 176.870 -0.156 0.000 1.094 427 L CA 1.271 55.986 54.840 -0.209 0.000 0.763 427 L CB -0.634 41.331 42.059 -0.156 0.000 0.908 427 L HN 0.355 nan 8.230 nan 0.000 0.437 428 D N 0.187 120.505 120.400 -0.137 0.000 2.699 428 D HA -0.200 4.440 4.640 -0.001 0.000 0.239 428 D C -0.507 175.753 176.300 -0.067 0.000 1.136 428 D CA 0.615 54.560 54.000 -0.090 0.000 0.668 428 D CB -0.935 39.817 40.800 -0.079 0.000 1.060 428 D HN 0.209 nan 8.370 nan 0.000 0.429 429 I N -0.144 120.388 120.570 -0.063 0.000 2.894 429 I HA 0.252 4.422 4.170 -0.001 0.000 0.302 429 I C 0.147 176.251 176.117 -0.022 0.000 1.188 429 I CA -1.054 60.222 61.300 -0.040 0.000 1.014 429 I CB 1.935 39.907 38.000 -0.046 0.000 1.242 429 I HN -0.225 nan 8.210 nan 0.000 0.430 430 D N 3.199 123.596 120.400 -0.004 0.000 2.304 430 D HA 0.380 5.019 4.640 -0.001 0.000 0.247 430 D C -0.719 175.604 176.300 0.038 0.000 1.089 430 D CA 0.069 54.081 54.000 0.020 0.000 0.910 430 D CB 2.129 42.938 40.800 0.014 0.000 1.199 430 D HN -0.023 nan 8.370 nan 0.000 0.426 431 V N 2.627 122.594 119.914 0.088 0.000 2.487 431 V HA 0.110 4.230 4.120 -0.001 0.000 0.298 431 V C 1.040 177.245 176.094 0.184 0.000 1.028 431 V CA -0.471 61.899 62.300 0.116 0.000 0.860 431 V CB 1.806 33.680 31.823 0.086 0.000 0.991 431 V HN 0.514 nan 8.190 nan 0.000 0.427 432 Q N 4.342 124.219 119.800 0.129 0.000 2.013 432 Q HA 0.230 4.569 4.340 -0.001 0.000 0.195 432 Q C 0.706 176.796 176.000 0.150 0.000 0.974 432 Q CA 0.960 56.827 55.803 0.106 0.000 0.826 432 Q CB 0.272 29.034 28.738 0.041 0.000 0.895 432 Q HN 0.655 nan 8.270 nan 0.000 0.448 433 R N -0.760 119.828 120.500 0.146 0.000 1.063 433 R HA -0.084 4.256 4.340 -0.001 0.000 0.428 433 R C -1.583 174.771 176.300 0.091 0.000 1.336 433 R CA 0.137 56.328 56.100 0.152 0.000 0.920 433 R CB -1.301 29.155 30.300 0.260 0.000 2.969 433 R HN 0.459 nan 8.270 nan 0.000 0.513 434 A N 4.008 126.873 122.820 0.075 0.000 2.407 434 A HA 0.596 4.915 4.320 -0.001 0.000 0.248 434 A C 1.470 179.088 177.584 0.056 0.000 1.082 434 A CA 0.316 52.383 52.037 0.050 0.000 0.785 434 A CB 0.841 19.866 19.000 0.041 0.000 1.020 434 A HN 1.101 nan 8.150 nan 0.000 0.489 435 A N 2.007 124.852 122.820 0.042 0.000 1.908 435 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 435 A C 1.188 178.808 177.584 0.060 0.000 1.181 435 A CA 1.958 54.023 52.037 0.046 0.000 0.627 435 A CB -0.508 18.515 19.000 0.039 0.000 0.818 435 A HN 0.928 nan 8.150 nan 0.000 0.445 436 N N -0.284 118.456 118.700 0.066 0.000 2.444 436 N HA 0.419 5.159 4.740 -0.001 0.000 0.262 436 N C 0.170 175.727 175.510 0.079 0.000 0.974 436 N CA -0.369 52.731 53.050 0.082 0.000 0.933 436 N CB 0.847 39.401 38.487 0.111 0.000 1.137 436 N HN 0.168 nan 8.380 nan 0.000 0.498 437 L N 1.988 123.261 121.223 0.084 0.000 2.376 437 L HA 0.016 4.356 4.340 -0.001 0.000 0.219 437 L C 0.854 177.782 176.870 0.096 0.000 1.133 437 L CA 0.610 55.504 54.840 0.090 0.000 0.816 437 L CB -0.177 41.936 42.059 0.091 0.000 0.933 437 L HN 0.644 nan 8.230 nan 0.000 0.449 438 E N 0.416 120.677 120.200 0.102 0.000 2.773 438 E HA -0.048 4.302 4.350 -0.001 0.000 0.302 438 E C 1.274 177.932 176.600 0.096 0.000 1.574 438 E CA 0.560 57.029 56.400 0.116 0.000 1.775 438 E CB -0.372 29.413 29.700 0.141 0.000 1.413 438 E HN 0.362 nan 8.360 nan 0.000 0.471 439 T N -2.432 112.156 114.554 0.056 0.000 2.995 439 T HA -0.139 4.211 4.350 -0.001 0.000 0.269 439 T C 1.762 176.460 174.700 -0.004 0.000 1.091 439 T CA 1.181 63.279 62.100 -0.003 0.000 1.128 439 T CB -0.244 68.623 68.868 -0.001 0.000 0.891 439 T HN 0.131 nan 8.240 nan 0.000 0.492 440 T N 2.470 117.052 114.554 0.047 0.000 2.607 440 T HA -0.086 4.264 4.350 -0.001 0.000 0.267 440 T C 2.416 177.148 174.700 0.054 0.000 1.049 440 T CA 1.846 63.980 62.100 0.057 0.000 1.162 440 T CB -1.021 67.894 68.868 0.079 0.000 0.863 440 T HN 0.637 nan 8.240 nan 0.000 0.424 441 A N 0.869 123.749 122.820 0.101 0.000 1.902 441 A HA 0.009 4.329 4.320 -0.001 0.000 0.217 441 A C 2.265 179.906 177.584 0.096 0.000 1.181 441 A CA 1.238 53.379 52.037 0.174 0.000 0.623 441 A CB -0.841 18.327 19.000 0.281 0.000 0.818 441 A HN 0.377 nan 8.150 nan 0.000 0.443 442 L N 0.204 121.368 121.223 -0.098 0.000 2.012 442 L HA -0.092 4.248 4.340 -0.001 0.000 0.210 442 L C 2.456 178.865 176.870 -0.768 0.000 1.073 442 L CA 2.313 56.712 54.840 -0.735 0.000 0.748 442 L CB -1.069 40.582 42.059 -0.681 0.000 0.891 442 L HN 0.330 nan 8.230 nan 0.000 0.431 443 G N -1.555 107.057 108.800 -0.313 0.000 2.432 443 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.219 443 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.219 443 G C 1.587 176.522 174.900 0.058 0.000 1.135 443 G CA 0.768 45.874 45.100 0.010 0.000 0.767 443 G HN 0.624 nan 8.290 nan 0.000 0.550 444 A N 1.136 123.957 122.820 0.001 0.000 1.898 444 A HA 0.332 4.652 4.320 -0.001 0.000 0.216 444 A C 2.798 180.427 177.584 0.076 0.000 1.181 444 A CA 2.095 54.153 52.037 0.036 0.000 0.620 444 A CB -0.717 18.323 19.000 0.066 0.000 0.819 444 A HN 0.709 nan 8.150 nan 0.000 0.442 445 A N -1.281 121.569 122.820 0.049 0.000 1.930 445 A HA -0.027 4.293 4.320 -0.001 0.000 0.217 445 A C 2.077 179.888 177.584 0.378 0.000 1.175 445 A CA 1.471 53.612 52.037 0.174 0.000 0.627 445 A CB -0.750 18.277 19.000 0.045 0.000 0.815 445 A HN 0.521 nan 8.150 nan 0.000 0.443 446 Y N 0.164 120.554 120.300 0.151 0.000 2.128 446 Y HA -0.160 4.390 4.550 -0.001 0.000 0.284 446 Y C 2.245 178.293 175.900 0.246 0.000 1.154 446 Y CA 0.900 59.110 58.100 0.184 0.000 1.149 446 Y CB -1.113 37.457 38.460 0.183 0.000 0.976 446 Y HN 0.201 nan 8.280 nan 0.000 0.505 447 L N -0.777 120.579 121.223 0.221 0.000 2.017 447 L HA -0.235 4.104 4.340 -0.001 0.000 0.208 447 L C 2.687 179.601 176.870 0.073 0.000 1.073 447 L CA 1.362 56.172 54.840 -0.050 0.000 0.745 447 L CB -0.942 40.954 42.059 -0.273 0.000 0.894 447 L HN 0.159 nan 8.230 nan 0.000 0.432 448 A N 0.124 123.017 122.820 0.121 0.000 1.933 448 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 448 A C 2.390 180.050 177.584 0.128 0.000 1.175 448 A CA 1.771 53.860 52.037 0.087 0.000 0.628 448 A CB -1.235 17.812 19.000 0.078 0.000 0.814 448 A HN 0.459 nan 8.150 nan 0.000 0.444 449 G N -0.188 108.796 108.800 0.306 0.000 2.404 449 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.215 449 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.215 449 G C 1.541 176.682 174.900 0.402 0.000 1.174 449 G CA 0.912 46.230 45.100 0.362 0.000 0.780 449 G HN 0.423 nan 8.290 nan 0.000 0.537 450 L N 0.855 122.341 121.223 0.439 0.000 2.043 450 L HA -0.152 4.188 4.340 -0.001 0.000 0.212 450 L C 3.376 180.322 176.870 0.128 0.000 1.075 450 L CA 1.237 56.227 54.840 0.250 0.000 0.752 450 L CB -0.408 41.760 42.059 0.183 0.000 0.891 450 L HN 0.307 nan 8.230 nan 0.000 0.432 451 A N -0.137 122.728 122.820 0.076 0.000 1.969 451 A HA -0.090 4.230 4.320 -0.001 0.000 0.218 451 A C 1.931 179.516 177.584 0.002 0.000 1.169 451 A CA 1.573 53.610 52.037 0.001 0.000 0.635 451 A CB -0.616 18.338 19.000 -0.077 0.000 0.810 451 A HN 0.342 nan 8.150 nan 0.000 0.445 452 V N -3.528 116.402 119.914 0.027 0.000 3.421 452 V HA 0.532 4.652 4.120 -0.001 0.000 0.316 452 V C 1.216 177.341 176.094 0.051 0.000 1.347 452 V CA 0.258 62.569 62.300 0.018 0.000 1.183 452 V CB -1.062 30.761 31.823 0.001 0.000 1.092 452 V HN 1.312 nan 8.190 nan 0.000 0.433 453 G N 0.395 109.237 108.800 0.069 0.000 2.203 453 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.263 453 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.263 453 G C 0.345 175.281 174.900 0.060 0.000 1.012 453 G CA 0.776 45.913 45.100 0.062 0.000 0.749 453 G HN 0.678 nan 8.290 nan 0.000 0.512 454 F N -0.165 119.708 119.950 -0.129 0.000 2.206 454 F HA 0.335 4.861 4.527 -0.001 0.000 0.298 454 F C 1.186 176.714 175.800 -0.453 0.000 1.090 454 F CA 0.922 58.720 58.000 -0.337 0.000 1.323 454 F CB 0.157 38.868 39.000 -0.481 0.000 1.028 454 F HN 0.251 nan 8.300 nan 0.000 0.492 455 W N 0.691 122.061 121.300 0.116 0.000 2.689 455 W HA 0.295 4.955 4.660 -0.001 0.000 0.340 455 W C 0.770 177.285 176.519 -0.007 0.000 1.060 455 W CA -0.846 56.491 57.345 -0.013 0.000 1.218 455 W CB 1.286 30.758 29.460 0.020 0.000 1.410 455 W HN -0.331 nan 8.180 nan 0.000 0.528 456 K N 0.761 121.268 120.400 0.178 0.000 2.242 456 K HA 0.024 4.344 4.320 -0.001 0.000 0.200 456 K C 0.102 176.740 176.600 0.063 0.000 1.050 456 K CA 0.968 57.305 56.287 0.083 0.000 0.981 456 K CB 0.220 32.741 32.500 0.036 0.000 0.795 456 K HN 0.617 nan 8.250 nan 0.000 0.477 457 D N -2.659 117.770 120.400 0.047 0.000 2.692 457 D HA 0.107 4.746 4.640 -0.001 0.000 0.290 457 D C 0.734 176.974 176.300 -0.100 0.000 1.281 457 D CA -0.676 53.312 54.000 -0.019 0.000 0.804 457 D CB 0.244 41.029 40.800 -0.026 0.000 1.331 457 D HN -0.200 nan 8.370 nan 0.000 0.432 458 L N -0.540 120.566 121.223 -0.195 0.000 2.079 458 L HA -0.057 4.282 4.340 -0.001 0.000 0.210 458 L C 0.780 177.526 176.870 -0.207 0.000 1.081 458 L CA 1.333 55.958 54.840 -0.359 0.000 0.752 458 L CB -0.392 41.296 42.059 -0.620 0.000 0.896 458 L HN 0.433 nan 8.230 nan 0.000 0.433 459 D N -0.149 120.176 120.400 -0.125 0.000 2.324 459 D HA -0.045 4.595 4.640 -0.001 0.000 0.235 459 D C 0.838 177.097 176.300 -0.068 0.000 1.095 459 D CA 0.361 54.317 54.000 -0.074 0.000 0.871 459 D CB 0.000 40.774 40.800 -0.043 0.000 0.906 459 D HN 0.314 nan 8.370 nan 0.000 0.522 460 E N 1.161 121.311 120.200 -0.083 0.000 2.888 460 E HA 0.006 4.356 4.350 -0.001 0.000 0.271 460 E C 0.586 177.104 176.600 -0.137 0.000 1.527 460 E CA -0.279 56.079 56.400 -0.070 0.000 1.700 460 E CB -0.166 29.516 29.700 -0.030 0.000 1.410 460 E HN 0.187 nan 8.360 nan 0.000 0.445 461 L N 0.306 121.468 121.223 -0.102 0.000 1.948 461 L HA -0.283 4.056 4.340 -0.001 0.000 0.170 461 L C 1.812 178.600 176.870 -0.137 0.000 0.854 461 L CA 1.257 56.038 54.840 -0.098 0.000 1.025 461 L CB -0.338 41.689 42.059 -0.054 0.000 0.966 461 L HN 0.096 nan 8.230 nan 0.000 0.545 462 K N -0.311 120.035 120.400 -0.091 0.000 2.588 462 K HA -0.170 4.150 4.320 -0.001 0.000 0.196 462 K C 1.987 178.538 176.600 -0.081 0.000 1.044 462 K CA 0.885 57.116 56.287 -0.095 0.000 0.934 462 K CB -0.293 32.164 32.500 -0.071 0.000 0.773 462 K HN 0.498 nan 8.250 nan 0.000 0.489 463 S N 1.136 116.786 115.700 -0.082 0.000 2.380 463 S HA -0.215 4.254 4.470 -0.001 0.000 0.229 463 S C 1.679 176.247 174.600 -0.054 0.000 1.050 463 S CA 1.614 59.779 58.200 -0.058 0.000 1.100 463 S CB -0.102 63.066 63.200 -0.054 0.000 0.984 463 S HN 0.380 nan 8.310 nan 0.000 0.434 464 M N 0.777 120.323 119.600 -0.090 0.000 2.562 464 M HA 0.129 4.608 4.480 -0.001 0.000 0.257 464 M C 0.713 176.986 176.300 -0.045 0.000 1.099 464 M CA -0.029 55.233 55.300 -0.063 0.000 1.099 464 M CB -0.243 32.284 32.600 -0.121 0.000 1.427 464 M HN 0.213 nan 8.290 nan 0.000 0.489 465 A N 2.075 124.854 122.820 -0.068 0.000 2.526 465 A HA -0.075 4.244 4.320 -0.001 0.000 0.267 465 A C 0.736 178.306 177.584 -0.024 0.000 1.095 465 A CA 0.386 52.392 52.037 -0.053 0.000 0.775 465 A CB -0.466 18.490 19.000 -0.075 0.000 1.036 465 A HN 0.545 nan 8.150 nan 0.000 0.510 466 E N 2.741 122.938 120.200 -0.005 0.000 2.651 466 E HA 0.220 4.569 4.350 -0.001 0.000 0.213 466 E C -0.154 176.452 176.600 0.010 0.000 1.028 466 E CA 0.024 56.432 56.400 0.014 0.000 1.183 466 E CB -0.037 29.686 29.700 0.038 0.000 1.188 466 E HN 0.854 nan 8.360 nan 0.000 0.444 467 E N -1.592 118.605 120.200 -0.004 0.000 2.388 467 E HA 0.627 4.976 4.350 -0.001 0.000 0.280 467 E C -0.415 176.176 176.600 -0.016 0.000 1.019 467 E CA -0.838 55.559 56.400 -0.005 0.000 0.806 467 E CB 1.389 31.087 29.700 -0.003 0.000 1.246 467 E HN 0.085 nan 8.360 nan 0.000 0.443 468 G N 0.942 109.733 108.800 -0.015 0.000 2.637 468 G HA2 0.351 4.310 3.960 -0.001 0.000 0.112 468 G HA3 0.351 4.310 3.960 -0.001 0.000 0.112 468 G C -0.309 174.576 174.900 -0.026 0.000 1.181 468 G CA 0.733 45.822 45.100 -0.019 0.000 1.150 468 G HN 0.844 nan 8.290 nan 0.000 0.561 469 Q N -3.000 116.764 119.800 -0.061 0.000 2.485 469 Q HA 0.396 4.736 4.340 -0.001 0.000 0.182 469 Q C -0.327 175.542 176.000 -0.219 0.000 0.571 469 Q CA 1.425 57.148 55.803 -0.133 0.000 0.868 469 Q CB 0.005 28.665 28.738 -0.130 0.000 0.902 469 Q HN 2.001 nan 8.270 nan 0.000 0.293 470 M N -0.061 119.388 119.600 -0.252 0.000 3.990 470 M HA 0.228 4.708 4.480 -0.001 0.000 0.154 470 M C -2.099 173.951 176.300 -0.416 0.000 1.499 470 M CA 0.385 55.565 55.300 -0.201 0.000 1.098 470 M CB -0.535 31.989 32.600 -0.127 0.000 1.325 470 M HN 0.348 nan 8.290 nan 0.000 0.232 471 F N 3.525 123.459 119.950 -0.027 0.000 2.499 471 F HA 0.637 5.164 4.527 -0.001 0.000 0.333 471 F C 0.366 176.145 175.800 -0.035 0.000 1.138 471 F CA -0.534 57.447 58.000 -0.032 0.000 0.945 471 F CB 2.290 41.267 39.000 -0.039 0.000 1.181 471 F HN 0.493 nan 8.300 nan 0.000 0.435 472 T N 4.956 119.565 114.554 0.092 0.000 2.799 472 T HA 0.356 4.705 4.350 -0.001 0.000 0.286 472 T C -2.616 172.106 174.700 0.038 0.000 0.973 472 T CA -1.627 60.496 62.100 0.039 0.000 1.035 472 T CB 1.205 70.077 68.868 0.006 0.000 0.932 472 T HN 0.114 nan 8.240 nan 0.000 0.469 473 P HA 0.120 nan 4.420 nan 0.000 0.263 473 P C 0.207 177.502 177.300 -0.009 0.000 1.195 473 P CA 0.116 63.206 63.100 -0.016 0.000 0.762 473 P CB 0.268 31.946 31.700 -0.037 0.000 0.799 474 E N 2.465 122.661 120.200 -0.008 0.000 3.029 474 E HA 0.187 4.537 4.350 -0.001 0.000 0.196 474 E C -0.450 176.149 176.600 -0.001 0.000 0.973 474 E CA -0.367 56.032 56.400 -0.000 0.000 1.242 474 E CB 0.206 29.914 29.700 0.013 0.000 1.056 474 E HN 0.333 nan 8.360 nan 0.000 0.469 475 M N 2.355 121.946 119.600 -0.016 0.000 2.268 475 M HA 0.488 4.967 4.480 -0.001 0.000 0.344 475 M C -2.630 173.665 176.300 -0.008 0.000 1.106 475 M CA -1.954 53.340 55.300 -0.009 0.000 1.010 475 M CB 1.518 34.100 32.600 -0.030 0.000 1.649 475 M HN -0.171 nan 8.290 nan 0.000 0.443 476 P HA 0.201 nan 4.420 nan 0.000 0.272 476 P C -0.062 177.243 177.300 0.009 0.000 1.223 476 P CA -0.129 62.976 63.100 0.008 0.000 0.784 476 P CB 0.506 32.216 31.700 0.017 0.000 0.923 477 A N 1.882 124.706 122.820 0.007 0.000 1.903 477 A HA -0.297 4.022 4.320 -0.001 0.000 0.219 477 A C 2.164 179.765 177.584 0.028 0.000 1.191 477 A CA 2.241 54.284 52.037 0.010 0.000 0.638 477 A CB -1.400 17.605 19.000 0.008 0.000 0.823 477 A HN 0.730 nan 8.150 nan 0.000 0.451 478 E N -0.668 119.551 120.200 0.032 0.000 2.058 478 E HA -0.276 4.073 4.350 -0.001 0.000 0.194 478 E C 2.105 178.742 176.600 0.061 0.000 0.997 478 E CA 1.556 57.982 56.400 0.044 0.000 0.801 478 E CB -0.196 29.527 29.700 0.038 0.000 0.746 478 E HN 0.771 nan 8.360 nan 0.000 0.450 479 E N 0.272 120.508 120.200 0.059 0.000 2.077 479 E HA -0.248 4.102 4.350 -0.001 0.000 0.193 479 E C 2.315 178.978 176.600 0.104 0.000 0.989 479 E CA 1.169 57.618 56.400 0.081 0.000 0.800 479 E CB -0.078 29.663 29.700 0.068 0.000 0.746 479 E HN 0.151 nan 8.360 nan 0.000 0.452 480 R N 0.498 121.038 120.500 0.068 0.000 2.066 480 R HA -0.157 4.183 4.340 -0.001 0.000 0.232 480 R C 1.658 178.040 176.300 0.137 0.000 1.131 480 R CA 2.031 58.166 56.100 0.058 0.000 0.955 480 R CB -0.193 30.094 30.300 -0.021 0.000 0.851 480 R HN 0.088 nan 8.270 nan 0.000 0.432 481 D N 0.540 121.008 120.400 0.114 0.000 2.123 481 D HA -0.146 4.493 4.640 -0.001 0.000 0.196 481 D C 1.557 177.962 176.300 0.176 0.000 0.992 481 D CA 1.075 55.165 54.000 0.149 0.000 0.833 481 D CB -0.430 40.429 40.800 0.097 0.000 0.954 481 D HN 0.291 nan 8.370 nan 0.000 0.455 482 N N 0.320 119.110 118.700 0.150 0.000 2.142 482 N HA -0.056 4.683 4.740 -0.001 0.000 0.186 482 N C 2.079 177.722 175.510 0.221 0.000 1.023 482 N CA 0.310 53.450 53.050 0.149 0.000 0.852 482 N CB -0.330 38.235 38.487 0.131 0.000 0.998 482 N HN 0.238 nan 8.380 nan 0.000 0.424 483 L N -0.537 120.870 121.223 0.306 0.000 2.017 483 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 483 L C 2.271 179.444 176.870 0.505 0.000 1.073 483 L CA 1.293 56.429 54.840 0.494 0.000 0.745 483 L CB -0.493 41.895 42.059 0.548 0.000 0.894 483 L HN 0.153 nan 8.230 nan 0.000 0.432 484 Y N 0.996 121.472 120.300 0.294 0.000 2.200 484 Y HA -0.292 4.257 4.550 -0.001 0.000 0.290 484 Y C 2.584 178.525 175.900 0.068 0.000 1.137 484 Y CA 1.837 60.059 58.100 0.203 0.000 1.163 484 Y CB -0.190 38.381 38.460 0.185 0.000 0.988 484 Y HN 0.226 nan 8.280 nan 0.000 0.518 485 E N -0.229 119.982 120.200 0.018 0.000 2.097 485 E HA -0.167 4.182 4.350 -0.001 0.000 0.196 485 E C 2.355 178.780 176.600 -0.293 0.000 1.000 485 E CA 1.960 58.285 56.400 -0.126 0.000 0.804 485 E CB -0.977 28.706 29.700 -0.029 0.000 0.740 485 E HN 0.487 nan 8.360 nan 0.000 0.454 486 G N 0.114 108.741 108.800 -0.288 0.000 2.430 486 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.216 486 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.216 486 G C 1.391 175.506 174.900 -1.309 0.000 1.146 486 G CA 0.546 45.276 45.100 -0.617 0.000 0.793 486 G HN 0.446 nan 8.290 nan 0.000 0.537 487 W N 2.195 122.714 121.300 -1.302 0.000 2.355 487 W HA -0.075 4.584 4.660 -0.001 0.000 0.309 487 W C 2.022 178.060 176.519 -0.802 0.000 1.206 487 W CA 1.586 58.239 57.345 -1.154 0.000 1.284 487 W CB -0.084 28.711 29.460 -1.109 0.000 1.145 487 W HN 0.210 nan 8.180 nan 0.000 0.502 488 K N 0.058 120.023 120.400 -0.725 0.000 2.097 488 K HA -0.211 4.108 4.320 -0.001 0.000 0.206 488 K C 2.057 178.273 176.600 -0.640 0.000 1.049 488 K CA 1.341 57.232 56.287 -0.661 0.000 0.933 488 K CB -0.573 31.655 32.500 -0.454 0.000 0.717 488 K HN 0.192 nan 8.250 nan 0.000 0.442 489 Q N 0.719 120.154 119.800 -0.609 0.000 2.077 489 Q HA -0.170 4.170 4.340 -0.001 0.000 0.206 489 Q C 2.375 177.897 176.000 -0.798 0.000 0.989 489 Q CA 1.845 57.296 55.803 -0.586 0.000 0.853 489 Q CB -0.416 28.026 28.738 -0.493 0.000 0.907 489 Q HN 0.396 nan 8.270 nan 0.000 0.418 490 A N 0.469 122.680 122.820 -1.016 0.000 1.883 490 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 490 A C 2.444 179.380 177.584 -1.080 0.000 1.186 490 A CA 1.752 53.014 52.037 -1.292 0.000 0.624 490 A CB -0.722 17.723 19.000 -0.925 0.000 0.822 490 A HN 0.222 nan 8.150 nan 0.000 0.444 491 V N -0.225 119.046 119.914 -1.071 0.000 2.427 491 V HA -0.197 3.923 4.120 -0.001 0.000 0.248 491 V C 3.022 178.726 176.094 -0.650 0.000 1.051 491 V CA 1.739 63.482 62.300 -0.928 0.000 1.048 491 V CB -1.235 29.891 31.823 -1.162 0.000 0.666 491 V HN 0.616 nan 8.190 nan 0.000 0.456 492 A N 0.161 122.642 122.820 -0.565 0.000 1.902 492 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 492 A C 2.410 179.806 177.584 -0.313 0.000 1.181 492 A CA 2.153 53.970 52.037 -0.365 0.000 0.623 492 A CB -0.693 18.120 19.000 -0.311 0.000 0.818 492 A HN 0.562 nan 8.150 nan 0.000 0.443 493 A N -1.146 121.413 122.820 -0.435 0.000 1.897 493 A HA -0.028 4.292 4.320 -0.001 0.000 0.215 493 A C 2.276 179.825 177.584 -0.060 0.000 1.181 493 A CA 2.106 53.964 52.037 -0.299 0.000 0.620 493 A CB -1.222 17.436 19.000 -0.569 0.000 0.821 493 A HN 0.417 nan 8.150 nan 0.000 0.443 494 T N 0.344 114.846 114.554 -0.087 0.000 2.759 494 T HA -0.188 4.162 4.350 -0.001 0.000 0.269 494 T C 1.894 176.613 174.700 0.032 0.000 1.042 494 T CA 1.761 63.914 62.100 0.087 0.000 1.140 494 T CB -0.265 68.588 68.868 -0.026 0.000 0.864 494 T HN 0.603 nan 8.240 nan 0.000 0.455 495 Q N 0.394 120.138 119.800 -0.093 0.000 2.435 495 Q HA -0.030 4.310 4.340 -0.001 0.000 0.207 495 Q C 2.572 178.573 176.000 0.001 0.000 0.956 495 Q CA 1.254 57.020 55.803 -0.062 0.000 0.917 495 Q CB -0.154 28.507 28.738 -0.128 0.000 0.997 495 Q HN 0.688 nan 8.270 nan 0.000 0.497 496 T N -2.180 112.386 114.554 0.019 0.000 3.067 496 T HA -0.061 4.289 4.350 -0.001 0.000 0.261 496 T C 0.385 175.153 174.700 0.114 0.000 1.110 496 T CA -0.135 61.993 62.100 0.048 0.000 1.113 496 T CB -0.136 68.748 68.868 0.028 0.000 0.917 496 T HN 0.117 nan 8.240 nan 0.000 0.499 497 F N 2.644 122.614 119.950 0.033 0.000 2.423 497 F HA 0.520 5.047 4.527 -0.001 0.000 0.356 497 F C 0.272 176.120 175.800 0.080 0.000 1.170 497 F CA -1.119 56.917 58.000 0.061 0.000 1.163 497 F CB 0.422 39.463 39.000 0.068 0.000 1.318 497 F HN -0.191 nan 8.300 nan 0.000 0.569 498 K N 7.066 127.271 120.400 -0.324 0.000 3.045 498 K HA 0.076 4.395 4.320 -0.001 0.000 0.211 498 K C -0.154 176.286 176.600 -0.266 0.000 1.141 498 K CA -0.413 55.743 56.287 -0.218 0.000 1.036 498 K CB -0.368 32.084 32.500 -0.080 0.000 0.851 498 K HN 0.499 nan 8.250 nan 0.000 0.462 499 F N 0.000 119.473 119.950 -0.795 0.000 2.286 499 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 499 F CA 0.000 57.660 58.000 -0.566 0.000 1.383 499 F CB 0.000 38.538 39.000 -0.770 0.000 1.145 499 F HN 0.000 nan 8.300 nan 0.000 0.574