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 1r59_1_O 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 YGHTRSXXXX XXXVPIAGMA 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 EGWKQAV 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 0.000 175.363 175.510 -0.246 0.000 1.280 5 N CA 0.000 52.991 53.050 -0.099 0.000 0.885 5 N CB 0.000 38.559 38.487 0.120 0.000 1.341 6 Y N -0.276 120.032 120.300 0.013 0.000 2.621 6 Y HA 0.807 5.357 4.550 -0.000 0.000 0.334 6 Y C -0.383 175.349 175.900 -0.280 0.000 1.074 6 Y CA -0.749 57.318 58.100 -0.055 0.000 1.149 6 Y CB 1.468 39.926 38.460 -0.002 0.000 1.302 6 Y HN 0.119 nan 8.280 nan 0.000 0.501 7 V N 2.755 122.657 119.914 -0.021 0.000 2.760 7 V HA 0.337 4.457 4.120 -0.000 0.000 0.309 7 V C -0.920 175.219 176.094 0.073 0.000 1.077 7 V CA -1.005 61.221 62.300 -0.123 0.000 0.910 7 V CB 1.969 33.643 31.823 -0.248 0.000 1.008 7 V HN 0.582 nan 8.190 nan 0.000 0.424 8 M N 3.989 123.601 119.600 0.021 0.000 2.063 8 M HA 0.542 5.022 4.480 -0.000 0.000 0.348 8 M C 0.177 176.476 176.300 -0.003 0.000 1.180 8 M CA -0.621 54.699 55.300 0.033 0.000 1.059 8 M CB 0.741 33.348 32.600 0.013 0.000 1.544 8 M HN 0.722 nan 8.290 nan 0.000 0.447 9 A N 5.023 127.837 122.820 -0.009 0.000 2.320 9 A HA 0.709 5.028 4.320 -0.000 0.000 0.287 9 A C -0.263 177.281 177.584 -0.067 0.000 1.181 9 A CA -0.427 51.561 52.037 -0.082 0.000 0.831 9 A CB -0.011 18.880 19.000 -0.183 0.000 1.102 9 A HN 0.742 nan 8.150 nan 0.000 0.513 10 I N 2.586 123.110 120.570 -0.076 0.000 2.390 10 I HA 0.232 4.402 4.170 -0.000 0.000 0.283 10 I C -0.551 175.528 176.117 -0.063 0.000 1.016 10 I CA -0.014 61.243 61.300 -0.071 0.000 1.151 10 I CB 1.803 39.747 38.000 -0.094 0.000 1.293 10 I HN 0.695 nan 8.210 nan 0.000 0.458 11 D N 5.258 125.634 120.400 -0.040 0.000 2.193 11 D HA 0.267 4.907 4.640 -0.000 0.000 0.244 11 D C -0.723 175.587 176.300 0.017 0.000 1.064 11 D CA -0.303 53.687 54.000 -0.016 0.000 0.845 11 D CB 1.223 42.019 40.800 -0.008 0.000 1.148 11 D HN 0.218 nan 8.370 nan 0.000 0.464 12 Q N 2.818 122.640 119.800 0.037 0.000 2.357 12 Q HA 0.505 4.845 4.340 -0.000 0.000 0.266 12 Q C -0.382 175.703 176.000 0.142 0.000 1.021 12 Q CA -0.733 55.120 55.803 0.082 0.000 0.784 12 Q CB 1.575 30.356 28.738 0.071 0.000 1.243 12 Q HN 0.709 nan 8.270 nan 0.000 0.465 13 G N 1.266 110.182 108.800 0.192 0.000 2.642 13 G HA2 0.386 4.346 3.960 -0.000 0.000 0.291 13 G HA3 0.386 4.346 3.960 -0.000 0.000 0.291 13 G C 0.407 175.525 174.900 0.365 0.000 1.345 13 G CA -0.136 45.116 45.100 0.253 0.000 1.043 13 G HN 0.546 nan 8.290 nan 0.000 0.528 14 T N -0.823 113.949 114.554 0.362 0.000 3.033 14 T HA 0.090 4.440 4.350 -0.000 0.000 0.248 14 T C 2.125 176.766 174.700 -0.099 0.000 1.040 14 T CA 1.501 63.821 62.100 0.367 0.000 1.133 14 T CB 0.085 69.306 68.868 0.588 0.000 0.895 14 T HN 0.420 nan 8.240 nan 0.000 0.465 15 T N 0.050 114.518 114.554 -0.143 0.000 2.987 15 T HA 0.301 4.651 4.350 -0.000 0.000 0.248 15 T C 0.492 174.958 174.700 -0.390 0.000 0.997 15 T CA -0.084 61.701 62.100 -0.524 0.000 1.013 15 T CB 0.520 69.254 68.868 -0.224 0.000 1.077 15 T HN 0.200 nan 8.240 nan 0.000 0.483 16 S N 0.903 116.617 115.700 0.024 0.000 2.619 16 S HA 0.642 5.112 4.470 -0.000 0.000 0.280 16 S C -0.748 173.978 174.600 0.210 0.000 1.150 16 S CA -0.599 57.695 58.200 0.157 0.000 0.978 16 S CB 1.414 64.660 63.200 0.078 0.000 1.041 16 S HN 0.196 nan 8.310 nan 0.000 0.485 17 S N 3.052 118.891 115.700 0.231 0.000 2.719 17 S HA 0.822 5.292 4.470 -0.000 0.000 0.285 17 S C -0.307 174.350 174.600 0.095 0.000 1.137 17 S CA -0.856 57.437 58.200 0.155 0.000 1.012 17 S CB 0.930 64.208 63.200 0.129 0.000 1.134 17 S HN 0.792 nan 8.310 nan 0.000 0.544 18 R N -1.095 119.440 120.500 0.058 0.000 2.728 18 R HA 0.611 4.951 4.340 -0.000 0.000 0.274 18 R C -2.096 174.207 176.300 0.004 0.000 1.032 18 R CA -0.420 55.699 56.100 0.032 0.000 0.866 18 R CB 1.705 32.025 30.300 0.033 0.000 1.263 18 R HN 0.734 nan 8.270 nan 0.000 0.475 19 A N 2.338 125.156 122.820 -0.003 0.000 2.839 19 A HA 0.394 4.714 4.320 -0.000 0.000 0.303 19 A C -0.868 176.718 177.584 0.003 0.000 1.181 19 A CA -0.523 51.503 52.037 -0.018 0.000 0.808 19 A CB 0.172 19.149 19.000 -0.039 0.000 1.391 19 A HN 0.516 nan 8.150 nan 0.000 0.433 20 I N 2.192 122.772 120.570 0.017 0.000 2.638 20 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 20 I C 0.163 176.350 176.117 0.118 0.000 1.088 20 I CA -0.235 61.107 61.300 0.069 0.000 1.397 20 I CB 1.090 39.139 38.000 0.082 0.000 1.414 20 I HN 0.452 nan 8.210 nan 0.000 0.566 21 I N 4.617 125.285 120.570 0.164 0.000 2.428 21 I HA 0.223 4.393 4.170 -0.000 0.000 0.289 21 I C -0.641 175.718 176.117 0.402 0.000 1.019 21 I CA -0.049 61.376 61.300 0.209 0.000 1.351 21 I CB 0.574 38.639 38.000 0.107 0.000 1.412 21 I HN 0.328 nan 8.210 nan 0.000 0.513 22 F N 5.487 125.556 119.950 0.199 0.000 2.499 22 F HA 0.287 4.813 4.527 -0.000 0.000 0.333 22 F C 0.055 176.049 175.800 0.324 0.000 1.138 22 F CA -1.182 56.975 58.000 0.263 0.000 0.945 22 F CB 0.762 39.924 39.000 0.270 0.000 1.181 22 F HN 0.575 nan 8.300 nan 0.000 0.435 23 D N 3.797 124.262 120.400 0.108 0.000 2.430 23 D HA 0.215 4.855 4.640 -0.000 0.000 0.285 23 D C -0.376 175.969 176.300 0.074 0.000 1.210 23 D CA -0.417 53.611 54.000 0.047 0.000 1.080 23 D CB 0.299 41.098 40.800 -0.002 0.000 1.134 23 D HN 0.412 nan 8.370 nan 0.000 0.562 24 R N -0.125 120.360 120.500 -0.024 0.000 2.210 24 R HA 0.333 4.673 4.340 -0.000 0.000 0.338 24 R C -0.518 175.800 176.300 0.030 0.000 1.062 24 R CA -0.407 55.662 56.100 -0.051 0.000 0.902 24 R CB -0.609 29.549 30.300 -0.238 0.000 1.050 24 R HN 0.466 nan 8.270 nan 0.000 0.461 25 N N 1.761 120.596 118.700 0.226 0.000 2.413 25 N HA -0.154 4.586 4.740 -0.000 0.000 0.282 25 N C 0.593 176.104 175.510 0.002 0.000 1.368 25 N CA 0.471 53.618 53.050 0.163 0.000 0.627 25 N CB -0.419 38.122 38.487 0.090 0.000 0.899 25 N HN 1.037 nan 8.380 nan 0.000 0.517 26 G N 0.862 109.656 108.800 -0.010 0.000 2.256 26 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.279 26 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.279 26 G C -0.049 174.785 174.900 -0.110 0.000 0.998 26 G CA 1.260 46.375 45.100 0.025 0.000 0.720 26 G HN 0.588 nan 8.290 nan 0.000 0.521 27 K N 0.183 120.392 120.400 -0.317 0.000 2.185 27 K HA 0.392 4.712 4.320 -0.000 0.000 0.269 27 K C 0.079 176.645 176.600 -0.057 0.000 0.987 27 K CA -0.607 55.615 56.287 -0.109 0.000 0.865 27 K CB 1.289 33.758 32.500 -0.052 0.000 1.090 27 K HN 0.112 nan 8.250 nan 0.000 0.450 28 K N 3.857 124.338 120.400 0.136 0.000 2.250 28 K HA 0.141 4.461 4.320 -0.000 0.000 0.280 28 K C 0.888 177.574 176.600 0.143 0.000 1.098 28 K CA -0.097 56.324 56.287 0.223 0.000 0.916 28 K CB 0.250 32.887 32.500 0.229 0.000 1.209 28 K HN 0.584 nan 8.250 nan 0.000 0.461 29 I N -1.540 119.115 120.570 0.142 0.000 3.427 29 I HA 0.220 4.390 4.170 -0.000 0.000 0.288 29 I C 0.686 176.851 176.117 0.080 0.000 1.249 29 I CA -0.230 61.132 61.300 0.104 0.000 1.421 29 I CB 0.740 38.811 38.000 0.119 0.000 1.086 29 I HN 0.359 nan 8.210 nan 0.000 0.448 30 G N 0.342 109.195 108.800 0.088 0.000 2.608 30 G HA2 0.628 4.588 3.960 -0.000 0.000 0.285 30 G HA3 0.628 4.588 3.960 -0.000 0.000 0.285 30 G C -1.233 173.706 174.900 0.064 0.000 1.407 30 G CA -0.299 44.838 45.100 0.061 0.000 1.276 30 G HN 0.080 nan 8.290 nan 0.000 0.587 31 S N 0.199 115.931 115.700 0.053 0.000 2.549 31 S HA 0.880 5.350 4.470 -0.000 0.000 0.280 31 S C -0.527 174.092 174.600 0.033 0.000 1.109 31 S CA -0.757 57.471 58.200 0.047 0.000 0.905 31 S CB 2.242 65.477 63.200 0.058 0.000 1.081 31 S HN 0.649 nan 8.310 nan 0.000 0.477 32 S N 1.778 117.493 115.700 0.026 0.000 2.614 32 S HA 0.509 4.979 4.470 -0.000 0.000 0.275 32 S C -1.698 172.919 174.600 0.029 0.000 1.161 32 S CA -0.874 57.339 58.200 0.022 0.000 0.969 32 S CB 1.589 64.794 63.200 0.009 0.000 1.059 32 S HN 0.628 nan 8.310 nan 0.000 0.482 33 Q N 1.937 121.758 119.800 0.036 0.000 2.321 33 Q HA 0.788 5.128 4.340 -0.000 0.000 0.270 33 Q C -1.191 174.839 176.000 0.050 0.000 1.032 33 Q CA -0.763 55.068 55.803 0.047 0.000 0.784 33 Q CB 1.585 30.353 28.738 0.050 0.000 1.264 33 Q HN 0.342 nan 8.270 nan 0.000 0.448 34 K N 0.446 120.885 120.400 0.066 0.000 2.433 34 K HA 0.575 4.895 4.320 -0.000 0.000 0.252 34 K C -0.656 176.011 176.600 0.111 0.000 1.015 34 K CA -0.851 55.479 56.287 0.072 0.000 0.860 34 K CB 2.352 34.891 32.500 0.065 0.000 1.359 34 K HN 0.506 nan 8.250 nan 0.000 0.452 35 E N 0.161 120.424 120.200 0.105 0.000 2.330 35 E HA 0.605 4.955 4.350 -0.000 0.000 0.251 35 E C -1.137 175.604 176.600 0.234 0.000 1.021 35 E CA -0.898 55.570 56.400 0.114 0.000 0.882 35 E CB 1.145 30.851 29.700 0.010 0.000 1.241 35 E HN 0.401 nan 8.360 nan 0.000 0.430 36 F N -1.973 117.976 119.950 -0.002 0.000 2.641 36 F HA 0.535 5.061 4.527 -0.000 0.000 0.308 36 F C -2.933 172.875 175.800 0.013 0.000 1.105 36 F CA -2.881 55.117 58.000 -0.003 0.000 0.964 36 F CB 0.288 39.273 39.000 -0.024 0.000 1.294 36 F HN 0.080 nan 8.300 nan 0.000 0.442 37 P HA 0.156 nan 4.420 nan 0.000 0.271 37 P C -0.819 176.548 177.300 0.111 0.000 1.220 37 P CA 0.042 63.206 63.100 0.107 0.000 0.768 37 P CB 0.749 32.549 31.700 0.168 0.000 0.848 38 Q N 2.952 122.780 119.800 0.046 0.000 2.835 38 Q HA 0.119 4.458 4.340 -0.000 0.000 0.235 38 Q C -0.351 175.752 176.000 0.172 0.000 1.313 38 Q CA -0.375 55.483 55.803 0.092 0.000 1.053 38 Q CB -0.262 28.471 28.738 -0.009 0.000 1.443 38 Q HN 0.482 nan 8.270 nan 0.000 0.576 39 Y N 1.675 122.055 120.300 0.132 0.000 2.597 39 Y HA 0.027 4.577 4.550 -0.000 0.000 0.336 39 Y C -0.822 175.224 175.900 0.243 0.000 1.216 39 Y CA 0.297 58.491 58.100 0.156 0.000 1.463 39 Y CB 0.372 38.915 38.460 0.138 0.000 1.303 39 Y HN 0.339 nan 8.280 nan 0.000 0.576 40 F N 8.761 128.510 119.950 -0.336 0.000 2.828 40 F HA 0.435 4.962 4.527 -0.000 0.000 0.355 40 F C -2.275 173.372 175.800 -0.254 0.000 1.200 40 F CA -2.547 55.346 58.000 -0.178 0.000 1.062 40 F CB 1.312 40.237 39.000 -0.126 0.000 1.351 40 F HN 0.435 nan 8.300 nan 0.000 0.504 41 P HA 0.191 nan 4.420 nan 0.000 0.229 41 P C -0.769 176.210 177.300 -0.534 0.000 1.160 41 P CA 0.478 63.386 63.100 -0.319 0.000 0.855 41 P CB 0.713 32.425 31.700 0.019 0.000 0.898 42 K N -1.466 118.454 120.400 -0.800 0.000 2.523 42 K HA 0.397 4.717 4.320 -0.000 0.000 0.257 42 K C 0.995 176.986 176.600 -1.014 0.000 0.932 42 K CA -0.279 55.462 56.287 -0.910 0.000 0.812 42 K CB 1.275 33.107 32.500 -1.113 0.000 1.326 42 K HN -0.383 nan 8.250 nan 0.000 0.433 43 S N 0.893 116.168 115.700 -0.708 0.000 2.736 43 S HA -0.314 4.156 4.470 -0.000 0.000 0.347 43 S C 1.130 175.786 174.600 0.093 0.000 1.380 43 S CA 2.297 60.320 58.200 -0.295 0.000 1.092 43 S CB -0.313 62.735 63.200 -0.254 0.000 1.167 43 S HN 0.863 nan 8.310 nan 0.000 0.444 44 G N -2.014 106.820 108.800 0.056 0.000 4.750 44 G HA2 0.324 4.284 3.960 -0.000 0.000 0.266 44 G HA3 0.324 4.284 3.960 -0.000 0.000 0.266 44 G C -0.613 174.628 174.900 0.569 0.000 1.000 44 G CA -0.492 44.850 45.100 0.403 0.000 0.776 44 G HN 0.326 nan 8.290 nan 0.000 0.357 45 W N 2.127 123.631 121.300 0.340 0.000 2.175 45 W HA 0.639 5.299 4.660 -0.000 0.000 0.350 45 W C -0.346 176.370 176.519 0.328 0.000 0.877 45 W CA -1.905 55.575 57.345 0.225 0.000 1.544 45 W CB -0.211 29.317 29.460 0.113 0.000 1.585 45 W HN -0.232 nan 8.180 nan 0.000 0.347 46 V N 2.534 122.699 119.914 0.418 0.000 2.498 46 V HA 0.293 4.413 4.120 -0.000 0.000 0.279 46 V C 0.104 176.270 176.094 0.120 0.000 1.048 46 V CA -0.444 62.011 62.300 0.259 0.000 0.967 46 V CB 1.624 33.422 31.823 -0.042 0.000 0.988 46 V HN 0.403 nan 8.190 nan 0.000 0.473 47 E N 2.961 123.258 120.200 0.161 0.000 2.263 47 E HA 0.377 4.727 4.350 -0.000 0.000 0.268 47 E C -1.082 175.611 176.600 0.156 0.000 0.884 47 E CA -0.798 55.649 56.400 0.078 0.000 0.766 47 E CB 1.126 30.912 29.700 0.144 0.000 1.196 47 E HN 0.789 nan 8.360 nan 0.000 0.416 48 H N 1.851 120.992 119.070 0.118 0.000 2.679 48 H HA 0.185 4.740 4.556 -0.000 0.000 0.369 48 H C -0.429 174.977 175.328 0.130 0.000 1.178 48 H CA -0.244 55.919 56.048 0.191 0.000 1.419 48 H CB 0.533 30.452 29.762 0.262 0.000 1.458 48 H HN 0.417 nan 8.280 nan 0.000 0.605 49 N N 0.314 119.179 118.700 0.274 0.000 2.411 49 N HA 0.210 4.950 4.740 -0.000 0.000 0.259 49 N C 0.825 176.357 175.510 0.037 0.000 1.103 49 N CA -0.000 53.107 53.050 0.095 0.000 0.954 49 N CB 1.185 39.697 38.487 0.041 0.000 1.085 49 N HN 0.638 nan 8.380 nan 0.000 0.485 50 A N 3.157 125.973 122.820 -0.007 0.000 1.972 50 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 50 A C 0.939 178.428 177.584 -0.160 0.000 1.169 50 A CA 0.954 52.950 52.037 -0.069 0.000 0.635 50 A CB -0.599 18.331 19.000 -0.116 0.000 0.810 50 A HN 0.801 nan 8.150 nan 0.000 0.446 51 N N 0.202 118.815 118.700 -0.145 0.000 2.626 51 N HA 0.091 4.831 4.740 -0.000 0.000 0.226 51 N C -0.159 175.252 175.510 -0.164 0.000 1.376 51 N CA 0.270 53.220 53.050 -0.168 0.000 0.894 51 N CB -0.022 38.390 38.487 -0.125 0.000 1.218 51 N HN 0.592 nan 8.380 nan 0.000 0.492 52 E N 0.522 120.588 120.200 -0.224 0.000 3.686 52 E HA 0.086 4.436 4.350 -0.000 0.000 0.219 52 E C -0.194 176.054 176.600 -0.586 0.000 1.076 52 E CA 0.066 56.286 56.400 -0.300 0.000 1.439 52 E CB 0.166 29.761 29.700 -0.175 0.000 1.193 52 E HN 0.329 nan 8.360 nan 0.000 0.382 53 I N -1.449 118.883 120.570 -0.398 0.000 4.541 53 I HA 0.209 4.379 4.170 -0.000 0.000 0.337 53 I C 1.112 177.263 176.117 0.057 0.000 1.338 53 I CA -0.388 60.685 61.300 -0.378 0.000 1.244 53 I CB 0.094 37.941 38.000 -0.255 0.000 1.417 53 I HN 0.079 nan 8.210 nan 0.000 0.501 54 W N 2.017 123.231 121.300 -0.143 0.000 2.651 54 W HA 0.162 4.821 4.660 -0.000 0.000 0.311 54 W C 2.171 178.636 176.519 -0.090 0.000 1.114 54 W CA 0.508 57.800 57.345 -0.089 0.000 1.490 54 W CB -1.429 27.995 29.460 -0.061 0.000 1.182 54 W HN 0.068 nan 8.180 nan 0.000 0.495 55 N N -0.031 118.772 118.700 0.171 0.000 2.182 55 N HA -0.224 4.516 4.740 -0.000 0.000 0.200 55 N C 1.217 176.747 175.510 0.033 0.000 0.989 55 N CA 2.096 55.189 53.050 0.073 0.000 0.907 55 N CB -0.330 38.180 38.487 0.038 0.000 1.048 55 N HN -0.132 nan 8.380 nan 0.000 0.494 56 S N -0.665 115.059 115.700 0.039 0.000 2.981 56 S HA 0.048 4.518 4.470 -0.000 0.000 0.235 56 S C 0.888 175.502 174.600 0.025 0.000 0.983 56 S CA -0.074 58.151 58.200 0.043 0.000 1.051 56 S CB 0.218 63.470 63.200 0.087 0.000 0.814 56 S HN 0.174 nan 8.310 nan 0.000 0.518 57 V N -0.421 119.495 119.914 0.004 0.000 3.141 57 V HA 0.176 4.296 4.120 -0.000 0.000 0.225 57 V C 1.498 177.552 176.094 -0.066 0.000 1.352 57 V CA 0.050 62.332 62.300 -0.029 0.000 1.316 57 V CB 0.047 31.846 31.823 -0.041 0.000 1.126 57 V HN 0.287 nan 8.190 nan 0.000 0.493 58 Q N -0.227 119.537 119.800 -0.061 0.000 2.246 58 Q HA 0.163 4.503 4.340 -0.000 0.000 0.202 58 Q C 1.538 177.463 176.000 -0.126 0.000 0.883 58 Q CA 0.454 56.188 55.803 -0.114 0.000 0.952 58 Q CB 0.514 29.193 28.738 -0.099 0.000 1.078 58 Q HN 0.517 nan 8.270 nan 0.000 0.493 59 S N -1.469 114.181 115.700 -0.083 0.000 2.540 59 S HA 0.108 4.578 4.470 -0.000 0.000 0.218 59 S C 0.930 175.480 174.600 -0.084 0.000 0.977 59 S CA 0.015 58.171 58.200 -0.073 0.000 0.918 59 S CB 0.660 63.844 63.200 -0.026 0.000 0.806 59 S HN 0.242 nan 8.310 nan 0.000 0.496 60 V N 0.357 120.212 119.914 -0.099 0.000 3.426 60 V HA 0.382 4.502 4.120 -0.000 0.000 0.271 60 V C 1.628 177.647 176.094 -0.125 0.000 1.530 60 V CA -0.059 62.191 62.300 -0.084 0.000 1.021 60 V CB 0.148 31.952 31.823 -0.033 0.000 0.824 60 V HN 0.354 nan 8.190 nan 0.000 0.432 61 I N 0.823 121.280 120.570 -0.189 0.000 2.270 61 I HA -0.015 4.154 4.170 -0.000 0.000 0.239 61 I C 2.642 178.380 176.117 -0.632 0.000 1.080 61 I CA 1.488 62.647 61.300 -0.236 0.000 1.383 61 I CB -0.117 37.779 38.000 -0.173 0.000 1.097 61 I HN 0.312 nan 8.210 nan 0.000 0.420 62 A N 0.660 123.006 122.820 -0.789 0.000 1.855 62 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 62 A C 2.306 179.448 177.584 -0.737 0.000 1.191 62 A CA 1.759 53.030 52.037 -1.277 0.000 0.613 62 A CB -1.467 17.155 19.000 -0.631 0.000 0.829 62 A HN 0.458 nan 8.150 nan 0.000 0.442 63 G N -1.206 107.381 108.800 -0.356 0.000 2.498 63 G HA2 0.124 4.084 3.960 -0.000 0.000 0.219 63 G HA3 0.124 4.084 3.960 -0.000 0.000 0.219 63 G C 1.328 176.164 174.900 -0.106 0.000 1.119 63 G CA 1.343 46.341 45.100 -0.170 0.000 0.766 63 G HN 0.827 nan 8.290 nan 0.000 0.552 64 A N 0.635 123.382 122.820 -0.122 0.000 2.108 64 A HA 0.360 4.680 4.320 -0.000 0.000 0.206 64 A C 1.919 179.531 177.584 0.048 0.000 1.212 64 A CA 0.459 52.480 52.037 -0.028 0.000 0.843 64 A CB -0.262 18.728 19.000 -0.017 0.000 0.902 64 A HN 0.590 nan 8.150 nan 0.000 0.477 65 F N -1.329 118.585 119.950 -0.061 0.000 2.699 65 F HA 0.178 4.704 4.527 -0.000 0.000 0.298 65 F C 1.291 177.038 175.800 -0.088 0.000 1.154 65 F CA 0.326 58.266 58.000 -0.100 0.000 1.457 65 F CB -0.192 38.747 39.000 -0.101 0.000 1.106 65 F HN 0.076 nan 8.300 nan 0.000 0.585 66 I N 0.823 121.574 120.570 0.303 0.000 3.035 66 I HA -0.080 4.090 4.170 -0.000 0.000 0.271 66 I C 2.024 178.190 176.117 0.081 0.000 1.190 66 I CA 0.373 61.788 61.300 0.192 0.000 1.472 66 I CB -0.281 37.796 38.000 0.129 0.000 1.116 66 I HN 0.037 nan 8.210 nan 0.000 0.443 67 E N 0.348 120.580 120.200 0.054 0.000 2.472 67 E HA -0.080 4.270 4.350 -0.000 0.000 0.200 67 E C 1.480 178.093 176.600 0.021 0.000 1.046 67 E CA 0.790 57.209 56.400 0.030 0.000 0.871 67 E CB 0.158 29.873 29.700 0.025 0.000 0.806 67 E HN 0.402 nan 8.360 nan 0.000 0.533 68 S N -1.810 113.898 115.700 0.013 0.000 2.882 68 S HA 0.264 4.734 4.470 -0.000 0.000 0.258 68 S C 0.907 175.487 174.600 -0.033 0.000 1.081 68 S CA 0.270 58.457 58.200 -0.021 0.000 0.886 68 S CB 1.814 64.967 63.200 -0.078 0.000 0.855 68 S HN 0.309 nan 8.310 nan 0.000 0.467 69 G N 2.160 110.947 108.800 -0.022 0.000 2.467 69 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.242 69 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.242 69 G C -0.450 174.357 174.900 -0.154 0.000 1.127 69 G CA -0.421 44.650 45.100 -0.049 0.000 0.924 69 G HN 0.416 nan 8.290 nan 0.000 0.499 70 I N 0.360 120.772 120.570 -0.263 0.000 2.359 70 I HA 0.497 4.666 4.170 -0.000 0.000 0.284 70 I C 0.607 176.258 176.117 -0.775 0.000 1.018 70 I CA -0.803 60.254 61.300 -0.404 0.000 1.173 70 I CB 1.271 39.010 38.000 -0.435 0.000 1.326 70 I HN 0.166 nan 8.210 nan 0.000 0.462 71 R N 6.459 126.615 120.500 -0.574 0.000 2.536 71 R HA 0.429 4.769 4.340 -0.000 0.000 0.279 71 R C -1.631 174.468 176.300 -0.334 0.000 1.001 71 R CA -1.490 54.249 56.100 -0.602 0.000 1.027 71 R CB 1.069 31.156 30.300 -0.355 0.000 1.096 71 R HN 0.188 nan 8.270 nan 0.000 0.502 72 P HA -0.225 nan 4.420 nan 0.000 0.221 72 P C -0.011 177.243 177.300 -0.077 0.000 1.140 72 P CA 1.264 64.290 63.100 -0.123 0.000 0.797 72 P CB 0.247 31.901 31.700 -0.077 0.000 0.756 73 E N -1.694 118.463 120.200 -0.072 0.000 2.409 73 E HA -0.049 4.301 4.350 -0.000 0.000 0.198 73 E C 1.623 178.217 176.600 -0.010 0.000 1.024 73 E CA 1.009 57.388 56.400 -0.034 0.000 0.861 73 E CB -0.160 29.520 29.700 -0.033 0.000 0.788 73 E HN 0.288 nan 8.360 nan 0.000 0.521 74 A N 1.104 123.924 122.820 0.001 0.000 2.229 74 A HA 0.160 4.480 4.320 -0.000 0.000 0.211 74 A C 1.298 178.938 177.584 0.094 0.000 1.193 74 A CA -0.356 51.728 52.037 0.080 0.000 0.879 74 A CB -0.040 19.076 19.000 0.193 0.000 0.911 74 A HN 0.232 nan 8.150 nan 0.000 0.492 75 I N -2.962 117.626 120.570 0.030 0.000 2.416 75 I HA 0.612 4.782 4.170 -0.000 0.000 0.288 75 I C 0.757 176.833 176.117 -0.069 0.000 1.051 75 I CA -0.120 61.180 61.300 0.001 0.000 1.375 75 I CB 1.566 39.564 38.000 -0.004 0.000 1.407 75 I HN -0.017 nan 8.210 nan 0.000 0.516 76 A N 4.745 127.472 122.820 -0.156 0.000 2.115 76 A HA 0.614 4.934 4.320 -0.000 0.000 0.211 76 A C 1.054 178.527 177.584 -0.185 0.000 1.169 76 A CA 0.572 52.498 52.037 -0.184 0.000 0.787 76 A CB -0.114 18.718 19.000 -0.281 0.000 0.858 76 A HN 1.017 nan 8.150 nan 0.000 0.474 77 G N -0.902 107.780 108.800 -0.197 0.000 2.702 77 G HA2 0.500 4.460 3.960 -0.000 0.000 0.296 77 G HA3 0.500 4.460 3.960 -0.000 0.000 0.296 77 G C -1.386 173.459 174.900 -0.091 0.000 1.463 77 G CA -0.508 44.513 45.100 -0.132 0.000 0.890 77 G HN 0.062 nan 8.290 nan 0.000 0.534 78 I N 1.610 122.139 120.570 -0.068 0.000 2.355 78 I HA 0.541 4.711 4.170 -0.000 0.000 0.288 78 I C 0.449 176.549 176.117 -0.027 0.000 0.999 78 I CA -0.626 60.642 61.300 -0.054 0.000 1.163 78 I CB 1.843 39.798 38.000 -0.075 0.000 1.316 78 I HN 0.601 nan 8.210 nan 0.000 0.454 79 G N 7.113 115.897 108.800 -0.027 0.000 2.609 79 G HA2 0.692 4.652 3.960 -0.000 0.000 0.308 79 G HA3 0.692 4.652 3.960 -0.000 0.000 0.308 79 G C -1.049 173.821 174.900 -0.049 0.000 1.369 79 G CA -0.340 44.752 45.100 -0.013 0.000 0.958 79 G HN 0.383 nan 8.290 nan 0.000 0.499 80 I N 1.679 122.216 120.570 -0.055 0.000 2.392 80 I HA 0.470 4.640 4.170 -0.000 0.000 0.295 80 I C 0.377 176.451 176.117 -0.072 0.000 0.985 80 I CA -0.198 61.054 61.300 -0.080 0.000 1.221 80 I CB 2.277 40.211 38.000 -0.110 0.000 1.366 80 I HN 0.425 nan 8.210 nan 0.000 0.467 81 T N 4.012 118.528 114.554 -0.064 0.000 2.887 81 T HA 0.744 5.094 4.350 -0.000 0.000 0.288 81 T C -0.722 173.963 174.700 -0.025 0.000 1.021 81 T CA -1.066 61.003 62.100 -0.052 0.000 1.000 81 T CB 1.639 70.476 68.868 -0.051 0.000 1.034 81 T HN 0.793 nan 8.240 nan 0.000 0.467 82 N N 0.002 118.695 118.700 -0.013 0.000 2.823 82 N HA 0.349 5.089 4.740 -0.000 0.000 0.251 82 N C -1.488 174.046 175.510 0.040 0.000 1.392 82 N CA -1.335 51.736 53.050 0.035 0.000 0.864 82 N CB 1.173 39.690 38.487 0.049 0.000 1.481 82 N HN 0.682 nan 8.380 nan 0.000 0.508 83 Q N 0.709 120.588 119.800 0.130 0.000 2.296 83 Q HA 0.384 4.724 4.340 -0.000 0.000 0.262 83 Q C -0.579 175.494 176.000 0.121 0.000 0.981 83 Q CA -0.424 55.480 55.803 0.168 0.000 0.905 83 Q CB 0.917 29.951 28.738 0.494 0.000 1.186 83 Q HN 0.415 nan 8.270 nan 0.000 0.399 84 R N 1.732 122.188 120.500 -0.073 0.000 2.652 84 R HA 0.123 4.463 4.340 -0.000 0.000 0.271 84 R C 0.035 176.358 176.300 0.038 0.000 1.129 84 R CA -0.248 55.817 56.100 -0.059 0.000 1.200 84 R CB 0.265 30.457 30.300 -0.180 0.000 1.146 84 R HN 0.892 nan 8.270 nan 0.000 0.581 85 E N -1.916 118.309 120.200 0.042 0.000 3.991 85 E HA -0.267 4.083 4.350 -0.000 0.000 0.331 85 E C -0.240 176.458 176.600 0.163 0.000 0.628 85 E CA 1.840 58.289 56.400 0.082 0.000 1.192 85 E CB -1.138 28.495 29.700 -0.112 0.000 1.683 85 E HN 0.636 nan 8.360 nan 0.000 0.416 86 T N 0.778 115.457 114.554 0.207 0.000 2.978 86 T HA 0.231 4.580 4.350 -0.000 0.000 0.278 86 T C 0.166 174.957 174.700 0.152 0.000 0.945 86 T CA 0.470 62.679 62.100 0.183 0.000 1.070 86 T CB 0.409 69.407 68.868 0.216 0.000 0.948 86 T HN 0.238 nan 8.240 nan 0.000 0.617 87 T N 3.306 117.957 114.554 0.161 0.000 2.856 87 T HA 0.427 4.777 4.350 -0.000 0.000 0.306 87 T C -0.432 174.323 174.700 0.091 0.000 1.062 87 T CA -0.408 61.797 62.100 0.174 0.000 1.083 87 T CB 0.516 69.591 68.868 0.344 0.000 0.984 87 T HN 0.531 nan 8.240 nan 0.000 0.542 88 V N 4.595 124.533 119.914 0.041 0.000 2.671 88 V HA 0.380 4.500 4.120 -0.000 0.000 0.292 88 V C -0.555 175.595 176.094 0.092 0.000 1.115 88 V CA -0.793 61.511 62.300 0.007 0.000 0.918 88 V CB 1.902 33.665 31.823 -0.101 0.000 1.036 88 V HN 0.909 nan 8.190 nan 0.000 0.445 89 V N 4.885 124.848 119.914 0.081 0.000 2.732 89 V HA 0.781 4.901 4.120 -0.000 0.000 0.310 89 V C -0.500 175.639 176.094 0.076 0.000 1.053 89 V CA -0.521 61.783 62.300 0.007 0.000 0.957 89 V CB 1.887 33.736 31.823 0.044 0.000 1.018 89 V HN 1.026 nan 8.190 nan 0.000 0.452 90 W N 0.384 121.557 121.300 -0.213 0.000 3.146 90 W HA 0.525 5.184 4.660 -0.000 0.000 0.319 90 W C 0.055 176.449 176.519 -0.208 0.000 1.258 90 W CA -0.780 56.406 57.345 -0.265 0.000 1.189 90 W CB 0.721 29.935 29.460 -0.410 0.000 1.412 90 W HN 0.424 nan 8.180 nan 0.000 0.567 91 D N 0.861 121.336 120.400 0.126 0.000 2.351 91 D HA -0.224 4.416 4.640 -0.000 0.000 0.216 91 D C 1.540 177.912 176.300 0.120 0.000 0.968 91 D CA 2.076 56.125 54.000 0.082 0.000 0.899 91 D CB 0.201 41.057 40.800 0.093 0.000 0.907 91 D HN 0.613 nan 8.370 nan 0.000 0.514 92 K N -1.676 118.857 120.400 0.222 0.000 3.300 92 K HA -0.182 4.138 4.320 -0.000 0.000 0.378 92 K C -0.030 176.854 176.600 0.473 0.000 0.579 92 K CA 1.827 58.307 56.287 0.321 0.000 1.666 92 K CB -1.421 31.176 32.500 0.162 0.000 1.092 92 K HN 0.184 nan 8.250 nan 0.000 0.451 93 T N 0.959 115.696 114.554 0.305 0.000 3.487 93 T HA 0.279 4.629 4.350 -0.000 0.000 0.287 93 T C -0.212 174.609 174.700 0.201 0.000 1.004 93 T CA 0.211 62.463 62.100 0.252 0.000 0.977 93 T CB 0.973 69.935 68.868 0.156 0.000 1.180 93 T HN 0.485 nan 8.240 nan 0.000 0.490 94 T N -1.174 113.523 114.554 0.239 0.000 2.616 94 T HA 0.592 4.942 4.350 -0.000 0.000 0.208 94 T C 1.177 175.988 174.700 0.187 0.000 0.849 94 T CA 0.116 62.315 62.100 0.165 0.000 1.360 94 T CB 0.422 69.356 68.868 0.110 0.000 1.829 94 T HN 0.106 nan 8.240 nan 0.000 0.431 95 G N 0.205 109.084 108.800 0.131 0.000 2.448 95 G HA2 0.367 4.327 3.960 -0.000 0.000 0.205 95 G HA3 0.367 4.327 3.960 -0.000 0.000 0.205 95 G C -0.170 174.765 174.900 0.059 0.000 1.409 95 G CA 0.002 45.177 45.100 0.125 0.000 0.562 95 G HN 0.814 nan 8.290 nan 0.000 1.078 96 Q N 0.545 120.351 119.800 0.011 0.000 2.413 96 Q HA 0.766 5.106 4.340 -0.000 0.000 0.276 96 Q C -2.896 173.067 176.000 -0.062 0.000 1.099 96 Q CA -1.670 54.106 55.803 -0.043 0.000 0.814 96 Q CB 1.955 30.668 28.738 -0.041 0.000 1.379 96 Q HN -0.054 nan 8.270 nan 0.000 0.436 97 P HA 0.250 nan 4.420 nan 0.000 0.297 97 P C 0.004 177.264 177.300 -0.068 0.000 1.303 97 P CA -0.570 62.472 63.100 -0.096 0.000 0.753 97 P CB 0.474 32.099 31.700 -0.125 0.000 1.281 98 I N -2.968 117.566 120.570 -0.060 0.000 3.976 98 I HA 0.461 4.631 4.170 -0.000 0.000 0.337 98 I C 0.685 176.774 176.117 -0.046 0.000 1.359 98 I CA -0.135 61.136 61.300 -0.048 0.000 1.098 98 I CB -1.303 36.671 38.000 -0.043 0.000 1.027 98 I HN 0.193 nan 8.210 nan 0.000 0.394 99 A N 1.365 124.152 122.820 -0.055 0.000 1.568 99 A HA 0.496 4.816 4.320 -0.000 0.000 0.147 99 A C -0.564 176.985 177.584 -0.059 0.000 1.552 99 A CA 0.386 52.396 52.037 -0.046 0.000 2.807 99 A CB 0.716 19.702 19.000 -0.023 0.000 2.976 99 A HN 0.402 nan 8.150 nan 0.000 1.316 100 N N -1.261 117.409 118.700 -0.050 0.000 4.173 100 N HA 0.415 5.155 4.740 -0.000 0.000 0.218 100 N C -0.771 174.726 175.510 -0.022 0.000 1.312 100 N CA 0.059 53.078 53.050 -0.052 0.000 0.834 100 N CB 0.709 39.174 38.487 -0.037 0.000 1.467 100 N HN 1.401 nan 8.380 nan 0.000 0.468 101 A N 0.834 123.646 122.820 -0.014 0.000 2.362 101 A HA 0.514 4.834 4.320 -0.000 0.000 0.276 101 A C 0.589 178.194 177.584 0.036 0.000 1.153 101 A CA -0.600 51.447 52.037 0.017 0.000 0.813 101 A CB -0.253 18.760 19.000 0.023 0.000 1.081 101 A HN 0.549 nan 8.150 nan 0.000 0.507 102 I N 3.314 123.901 120.570 0.028 0.000 2.598 102 I HA 0.015 4.185 4.170 -0.000 0.000 0.284 102 I C 0.300 176.377 176.117 -0.066 0.000 1.140 102 I CA 0.032 61.329 61.300 -0.004 0.000 1.420 102 I CB 0.653 38.665 38.000 0.021 0.000 1.387 102 I HN 0.406 nan 8.210 nan 0.000 0.553 103 V N 6.842 126.610 119.914 -0.243 0.000 3.051 103 V HA -0.067 4.053 4.120 -0.000 0.000 0.306 103 V C 1.086 177.002 176.094 -0.297 0.000 1.083 103 V CA -0.422 61.586 62.300 -0.486 0.000 1.104 103 V CB 0.568 31.806 31.823 -0.975 0.000 1.027 103 V HN 0.901 nan 8.190 nan 0.000 0.483 104 W N 0.540 121.797 121.300 -0.073 0.000 2.874 104 W HA -0.015 4.645 4.660 -0.000 0.000 0.242 104 W C 0.938 177.363 176.519 -0.157 0.000 1.285 104 W CA 0.059 57.367 57.345 -0.061 0.000 1.379 104 W CB -0.909 28.556 29.460 0.008 0.000 1.137 104 W HN 0.684 nan 8.180 nan 0.000 0.683 105 Q N 0.995 120.558 119.800 -0.395 0.000 2.390 105 Q HA 0.017 4.357 4.340 -0.000 0.000 0.216 105 Q C 1.051 176.954 176.000 -0.161 0.000 0.916 105 Q CA 0.235 55.785 55.803 -0.421 0.000 0.911 105 Q CB -0.007 28.436 28.738 -0.492 0.000 1.035 105 Q HN -0.016 nan 8.270 nan 0.000 0.541 106 S N 1.743 117.391 115.700 -0.087 0.000 2.561 106 S HA 0.022 4.492 4.470 -0.000 0.000 0.294 106 S C 0.572 175.210 174.600 0.063 0.000 1.294 106 S CA 0.301 58.529 58.200 0.047 0.000 1.055 106 S CB 0.408 63.618 63.200 0.016 0.000 0.819 106 S HN 0.226 nan 8.310 nan 0.000 0.503 107 R N 1.612 122.197 120.500 0.141 0.000 2.700 107 R HA 0.183 4.523 4.340 -0.000 0.000 0.377 107 R C 0.444 176.641 176.300 -0.171 0.000 1.130 107 R CA -0.145 56.018 56.100 0.105 0.000 1.055 107 R CB 0.084 30.556 30.300 0.287 0.000 1.387 107 R HN 0.585 nan 8.270 nan 0.000 0.580 108 Q N -0.184 119.286 119.800 -0.550 0.000 2.198 108 Q HA 0.228 4.568 4.340 -0.000 0.000 0.209 108 Q C -0.005 175.601 176.000 -0.657 0.000 0.848 108 Q CA 0.339 55.612 55.803 -0.882 0.000 0.974 108 Q CB 0.647 28.405 28.738 -1.634 0.000 1.115 108 Q HN -0.083 nan 8.270 nan 0.000 0.494 109 S N -0.741 114.744 115.700 -0.359 0.000 2.618 109 S HA 0.172 4.642 4.470 -0.000 0.000 0.242 109 S C 0.827 175.323 174.600 -0.173 0.000 0.972 109 S CA 0.028 58.080 58.200 -0.246 0.000 1.004 109 S CB 0.409 63.562 63.200 -0.078 0.000 0.778 109 S HN 0.243 nan 8.310 nan 0.000 0.459 110 S N 2.225 117.793 115.700 -0.221 0.000 2.492 110 S HA 0.117 4.587 4.470 -0.000 0.000 0.218 110 S C -1.098 173.416 174.600 -0.144 0.000 1.016 110 S CA 0.086 58.215 58.200 -0.117 0.000 0.916 110 S CB -0.688 62.478 63.200 -0.058 0.000 0.791 110 S HN 0.313 nan 8.310 nan 0.000 0.513 111 P HA 0.049 nan 4.420 nan 0.000 0.217 111 P C 1.156 178.388 177.300 -0.113 0.000 1.151 111 P CA 1.009 63.992 63.100 -0.194 0.000 0.828 111 P CB -0.180 31.345 31.700 -0.292 0.000 0.788 112 I N -2.704 117.785 120.570 -0.135 0.000 3.059 112 I HA 0.038 4.208 4.170 -0.000 0.000 0.270 112 I C 2.013 178.119 176.117 -0.018 0.000 1.238 112 I CA 0.677 61.948 61.300 -0.048 0.000 1.478 112 I CB -0.824 37.162 38.000 -0.023 0.000 1.097 112 I HN -0.209 nan 8.210 nan 0.000 0.455 113 A N 0.567 123.372 122.820 -0.024 0.000 2.123 113 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 113 A C 1.880 179.469 177.584 0.009 0.000 1.152 113 A CA 1.041 53.088 52.037 0.016 0.000 0.728 113 A CB -0.283 18.735 19.000 0.030 0.000 0.814 113 A HN 0.295 nan 8.150 nan 0.000 0.464 114 D N -0.560 119.835 120.400 -0.008 0.000 2.183 114 D HA -0.075 4.565 4.640 -0.000 0.000 0.205 114 D C 1.873 178.174 176.300 0.002 0.000 0.962 114 D CA 0.734 54.730 54.000 -0.005 0.000 0.849 114 D CB -0.123 40.670 40.800 -0.012 0.000 0.978 114 D HN 0.320 nan 8.370 nan 0.000 0.488 115 Q N 0.228 120.028 119.800 0.001 0.000 2.167 115 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 115 Q C 2.219 178.224 176.000 0.009 0.000 0.970 115 Q CA 0.450 56.256 55.803 0.005 0.000 0.855 115 Q CB -0.089 28.653 28.738 0.006 0.000 0.911 115 Q HN 0.257 nan 8.270 nan 0.000 0.438 116 L N 0.477 121.711 121.223 0.017 0.000 2.313 116 L HA -0.079 4.261 4.340 -0.000 0.000 0.214 116 L C 1.920 178.825 176.870 0.058 0.000 1.119 116 L CA 1.367 56.231 54.840 0.039 0.000 0.809 116 L CB 0.004 42.103 42.059 0.067 0.000 0.933 116 L HN 0.026 nan 8.230 nan 0.000 0.449 117 K N -1.700 118.720 120.400 0.033 0.000 2.314 117 K HA 0.063 4.383 4.320 -0.000 0.000 0.198 117 K C 1.779 178.389 176.600 0.015 0.000 1.045 117 K CA 0.473 56.772 56.287 0.021 0.000 0.988 117 K CB 0.282 32.783 32.500 0.002 0.000 0.783 117 K HN 0.115 nan 8.250 nan 0.000 0.484 118 V N 1.398 121.321 119.914 0.015 0.000 2.878 118 V HA -0.136 3.984 4.120 -0.000 0.000 0.250 118 V C 1.410 177.513 176.094 0.015 0.000 1.075 118 V CA 1.449 63.755 62.300 0.011 0.000 1.096 118 V CB -0.189 31.639 31.823 0.008 0.000 0.724 118 V HN 0.210 nan 8.190 nan 0.000 0.467 119 D N 0.943 121.356 120.400 0.021 0.000 2.106 119 D HA 0.109 4.748 4.640 -0.000 0.000 0.203 119 D C 1.595 177.919 176.300 0.039 0.000 0.977 119 D CA 1.892 55.906 54.000 0.024 0.000 0.844 119 D CB 0.028 40.837 40.800 0.016 0.000 1.002 119 D HN 0.508 nan 8.370 nan 0.000 0.461 120 G N 0.099 108.936 108.800 0.063 0.000 2.565 120 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.156 120 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.156 120 G C -0.048 174.923 174.900 0.118 0.000 1.074 120 G CA -0.220 44.919 45.100 0.065 0.000 0.804 120 G HN 0.304 nan 8.290 nan 0.000 0.496 121 H N -0.249 118.824 119.070 0.006 0.000 2.652 121 H HA 0.266 4.822 4.556 -0.000 0.000 0.274 121 H C 2.329 177.667 175.328 0.017 0.000 1.021 121 H CA 1.550 57.606 56.048 0.013 0.000 1.187 121 H CB 0.622 30.393 29.762 0.015 0.000 1.505 121 H HN 0.286 nan 8.280 nan 0.000 0.530 122 T N -0.065 114.498 114.554 0.015 0.000 2.746 122 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 122 T C 1.410 176.085 174.700 -0.042 0.000 1.039 122 T CA 1.290 63.372 62.100 -0.031 0.000 1.142 122 T CB 0.119 68.967 68.868 -0.033 0.000 0.866 122 T HN 0.372 nan 8.240 nan 0.000 0.444 123 E N 0.238 120.419 120.200 -0.032 0.000 2.478 123 E HA 0.172 4.522 4.350 -0.000 0.000 0.194 123 E C 1.683 178.262 176.600 -0.034 0.000 1.045 123 E CA 0.262 56.658 56.400 -0.006 0.000 0.868 123 E CB 0.059 29.758 29.700 -0.001 0.000 0.885 123 E HN 0.418 nan 8.360 nan 0.000 0.505 124 M N -0.230 119.296 119.600 -0.124 0.000 2.534 124 M HA 0.088 4.567 4.480 -0.000 0.000 0.263 124 M C 2.011 178.158 176.300 -0.254 0.000 1.152 124 M CA 0.388 55.575 55.300 -0.189 0.000 1.145 124 M CB 0.021 32.477 32.600 -0.240 0.000 1.333 124 M HN 0.061 nan 8.290 nan 0.000 0.477 125 I N -0.596 119.784 120.570 -0.317 0.000 2.703 125 I HA -0.192 3.978 4.170 -0.000 0.000 0.259 125 I C 2.042 178.131 176.117 -0.047 0.000 1.151 125 I CA 1.360 62.534 61.300 -0.210 0.000 1.470 125 I CB -0.409 37.466 38.000 -0.209 0.000 1.112 125 I HN 0.254 nan 8.210 nan 0.000 0.437 126 H N 1.187 120.195 119.070 -0.103 0.000 2.495 126 H HA 0.024 4.580 4.556 -0.000 0.000 0.287 126 H C 1.555 176.868 175.328 -0.024 0.000 1.033 126 H CA 1.264 57.283 56.048 -0.049 0.000 1.307 126 H CB 0.395 30.136 29.762 -0.035 0.000 1.401 126 H HN 0.244 nan 8.280 nan 0.000 0.555 127 E N -0.710 119.471 120.200 -0.032 0.000 2.489 127 E HA 0.090 4.439 4.350 -0.000 0.000 0.204 127 E C 1.119 177.752 176.600 0.056 0.000 1.006 127 E CA 0.163 56.549 56.400 -0.024 0.000 0.936 127 E CB 0.745 30.439 29.700 -0.011 0.000 1.002 127 E HN 0.440 nan 8.360 nan 0.000 0.488 128 K N -0.520 119.883 120.400 0.006 0.000 2.424 128 K HA 0.136 4.456 4.320 -0.000 0.000 0.198 128 K C 1.357 177.925 176.600 -0.053 0.000 1.190 128 K CA 0.655 56.963 56.287 0.036 0.000 0.935 128 K CB 0.922 33.423 32.500 0.002 0.000 1.087 128 K HN -0.104 nan 8.250 nan 0.000 0.524 129 T N -1.272 113.237 114.554 -0.076 0.000 2.978 129 T HA 0.132 4.482 4.350 -0.000 0.000 0.248 129 T C 1.157 175.796 174.700 -0.102 0.000 1.018 129 T CA 0.557 62.608 62.100 -0.081 0.000 1.026 129 T CB 0.946 69.774 68.868 -0.067 0.000 1.032 129 T HN 0.352 nan 8.240 nan 0.000 0.485 130 G N 1.548 110.277 108.800 -0.119 0.000 2.179 130 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 130 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 130 G C 0.195 175.068 174.900 -0.044 0.000 0.977 130 G CA 0.409 45.421 45.100 -0.147 0.000 0.641 130 G HN 0.481 nan 8.290 nan 0.000 0.533 131 L N -1.244 119.955 121.223 -0.040 0.000 2.994 131 L HA 0.941 5.281 4.340 -0.000 0.000 0.198 131 L C 0.864 177.837 176.870 0.173 0.000 1.530 131 L CA -0.716 54.111 54.840 -0.022 0.000 1.565 131 L CB 0.667 42.360 42.059 -0.611 0.000 2.470 131 L HN 0.316 nan 8.230 nan 0.000 0.564 132 V N -0.430 119.595 119.914 0.185 0.000 3.114 132 V HA 0.437 4.557 4.120 -0.000 0.000 0.308 132 V C -0.855 175.362 176.094 0.205 0.000 1.168 132 V CA -0.728 61.670 62.300 0.163 0.000 1.015 132 V CB 2.224 34.069 31.823 0.037 0.000 1.050 132 V HN 0.456 nan 8.190 nan 0.000 0.433 133 I N 5.035 125.654 120.570 0.082 0.000 2.483 133 I HA 0.393 4.563 4.170 -0.000 0.000 0.291 133 I C 0.021 176.217 176.117 0.131 0.000 1.112 133 I CA 0.659 62.041 61.300 0.136 0.000 1.350 133 I CB -0.183 37.860 38.000 0.073 0.000 1.419 133 I HN 0.646 nan 8.210 nan 0.000 0.523 134 D N 4.183 124.777 120.400 0.323 0.000 2.599 134 D HA 0.340 4.980 4.640 -0.000 0.000 0.252 134 D C -0.192 176.309 176.300 0.335 0.000 1.232 134 D CA -0.567 53.623 54.000 0.318 0.000 0.819 134 D CB 2.352 43.435 40.800 0.470 0.000 1.401 134 D HN 0.400 nan 8.370 nan 0.000 0.429 135 A N 1.212 124.192 122.820 0.266 0.000 2.276 135 A HA -0.060 4.260 4.320 -0.000 0.000 0.212 135 A C 0.956 178.655 177.584 0.192 0.000 1.230 135 A CA 0.334 52.479 52.037 0.179 0.000 0.844 135 A CB -0.502 18.561 19.000 0.106 0.000 0.860 135 A HN 0.538 nan 8.150 nan 0.000 0.486 136 Y N -0.404 119.917 120.300 0.036 0.000 2.365 136 Y HA 0.271 4.821 4.550 -0.000 0.000 0.293 136 Y C -0.004 175.742 175.900 -0.257 0.000 1.119 136 Y CA -0.700 57.284 58.100 -0.194 0.000 1.203 136 Y CB -0.132 38.175 38.460 -0.255 0.000 1.026 136 Y HN 0.230 nan 8.280 nan 0.000 0.549 137 F N -0.588 119.470 119.950 0.180 0.000 2.378 137 F HA 0.305 4.832 4.527 -0.000 0.000 0.325 137 F C 1.863 177.721 175.800 0.096 0.000 1.097 137 F CA -0.175 57.861 58.000 0.061 0.000 1.079 137 F CB 0.662 39.731 39.000 0.116 0.000 1.240 137 F HN -0.358 nan 8.300 nan 0.000 0.519 138 S N 0.801 116.693 115.700 0.319 0.000 2.368 138 S HA -0.205 4.265 4.470 -0.000 0.000 0.225 138 S C 2.196 176.902 174.600 0.177 0.000 1.030 138 S CA 1.393 59.752 58.200 0.264 0.000 0.999 138 S CB -0.456 62.973 63.200 0.382 0.000 0.844 138 S HN 0.719 nan 8.310 nan 0.000 0.459 139 A N 1.494 124.404 122.820 0.150 0.000 1.933 139 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 139 A C 2.313 179.948 177.584 0.084 0.000 1.175 139 A CA 2.079 54.155 52.037 0.064 0.000 0.628 139 A CB -1.386 17.661 19.000 0.077 0.000 0.814 139 A HN 0.598 nan 8.150 nan 0.000 0.444 140 T N -0.698 113.940 114.554 0.140 0.000 2.929 140 T HA -0.109 4.241 4.350 -0.000 0.000 0.271 140 T C 1.647 176.394 174.700 0.078 0.000 1.085 140 T CA 1.661 63.829 62.100 0.113 0.000 1.125 140 T CB -0.164 68.794 68.868 0.150 0.000 0.874 140 T HN 0.642 nan 8.240 nan 0.000 0.494 141 K N 0.886 121.344 120.400 0.096 0.000 2.168 141 K HA 0.190 4.510 4.320 -0.000 0.000 0.201 141 K C 1.815 178.479 176.600 0.106 0.000 1.049 141 K CA 0.369 56.713 56.287 0.095 0.000 0.974 141 K CB -0.053 32.509 32.500 0.103 0.000 0.792 141 K HN 0.122 nan 8.250 nan 0.000 0.463 142 V N 2.303 122.260 119.914 0.071 0.000 3.590 142 V HA -0.074 4.046 4.120 -0.000 0.000 0.272 142 V C 1.511 177.614 176.094 0.014 0.000 1.233 142 V CA 1.152 63.467 62.300 0.024 0.000 1.182 142 V CB -1.074 30.698 31.823 -0.087 0.000 0.901 142 V HN 0.229 nan 8.190 nan 0.000 0.485 143 R N -1.505 119.035 120.500 0.067 0.000 2.087 143 R HA 0.060 4.400 4.340 -0.000 0.000 0.213 143 R C 1.317 177.703 176.300 0.142 0.000 1.137 143 R CA 0.428 56.575 56.100 0.078 0.000 1.022 143 R CB -0.116 30.238 30.300 0.090 0.000 0.920 143 R HN 0.491 nan 8.270 nan 0.000 0.451 144 W N 1.076 122.351 121.300 -0.040 0.000 3.441 144 W HA 0.141 4.801 4.660 -0.000 0.000 0.361 144 W C 0.324 176.817 176.519 -0.044 0.000 1.184 144 W CA 0.480 57.797 57.345 -0.047 0.000 1.746 144 W CB 0.069 29.491 29.460 -0.063 0.000 0.961 144 W HN 0.095 nan 8.180 nan 0.000 0.787 145 L N -1.559 119.695 121.223 0.052 0.000 2.666 145 L HA 0.112 4.452 4.340 -0.000 0.000 0.184 145 L C 1.756 178.594 176.870 -0.055 0.000 1.092 145 L CA 0.634 55.472 54.840 -0.004 0.000 0.857 145 L CB -0.911 41.164 42.059 0.027 0.000 1.281 145 L HN -0.266 nan 8.230 nan 0.000 0.489 146 L N -0.061 121.135 121.223 -0.044 0.000 2.492 146 L HA 0.005 4.345 4.340 -0.000 0.000 0.223 146 L C 1.264 178.090 176.870 -0.074 0.000 1.132 146 L CA 1.162 55.967 54.840 -0.058 0.000 0.850 146 L CB -0.513 41.515 42.059 -0.052 0.000 0.966 146 L HN 0.233 nan 8.230 nan 0.000 0.454 147 D N -1.510 118.836 120.400 -0.090 0.000 2.355 147 D HA 0.044 4.684 4.640 -0.000 0.000 0.206 147 D C 1.101 177.275 176.300 -0.211 0.000 1.010 147 D CA 0.471 54.400 54.000 -0.119 0.000 0.875 147 D CB 0.117 40.865 40.800 -0.088 0.000 0.966 147 D HN 0.320 nan 8.370 nan 0.000 0.512 148 N N 0.256 118.799 118.700 -0.262 0.000 2.273 148 N HA 0.126 4.866 4.740 -0.000 0.000 0.231 148 N C -0.533 174.845 175.510 -0.220 0.000 1.134 148 N CA -0.058 52.778 53.050 -0.356 0.000 0.856 148 N CB 1.310 39.458 38.487 -0.566 0.000 1.068 148 N HN 0.065 nan 8.380 nan 0.000 0.510 149 I N 0.030 120.512 120.570 -0.147 0.000 2.865 149 I HA 0.092 4.262 4.170 -0.000 0.000 0.302 149 I C 0.985 177.052 176.117 -0.084 0.000 1.140 149 I CA -0.717 60.519 61.300 -0.107 0.000 1.021 149 I CB 1.885 39.835 38.000 -0.083 0.000 1.233 149 I HN -0.093 nan 8.210 nan 0.000 0.427 150 E N 2.457 122.614 120.200 -0.070 0.000 2.301 150 E HA -0.149 4.201 4.350 -0.000 0.000 0.202 150 E C 0.741 177.313 176.600 -0.047 0.000 1.017 150 E CA 1.372 57.739 56.400 -0.055 0.000 0.831 150 E CB 0.068 29.741 29.700 -0.045 0.000 0.742 150 E HN 0.809 nan 8.360 nan 0.000 0.491 151 G N -2.053 106.718 108.800 -0.047 0.000 3.265 151 G HA2 0.448 4.408 3.960 -0.000 0.000 0.171 151 G HA3 0.448 4.408 3.960 -0.000 0.000 0.171 151 G C 0.289 175.162 174.900 -0.046 0.000 1.110 151 G CA 0.150 45.226 45.100 -0.041 0.000 0.855 151 G HN 0.245 nan 8.290 nan 0.000 0.658 152 A N -2.072 120.723 122.820 -0.042 0.000 3.681 152 A HA -0.236 4.084 4.320 -0.000 0.000 0.238 152 A C 1.824 179.379 177.584 -0.048 0.000 0.760 152 A CA 2.230 54.238 52.037 -0.047 0.000 1.474 152 A CB -1.767 17.202 19.000 -0.053 0.000 1.081 152 A HN 0.507 nan 8.150 nan 0.000 0.696 153 Q N -1.166 118.608 119.800 -0.044 0.000 2.036 153 Q HA -0.018 4.322 4.340 -0.000 0.000 0.195 153 Q C 1.611 177.590 176.000 -0.036 0.000 0.971 153 Q CA 1.571 57.349 55.803 -0.042 0.000 0.826 153 Q CB -0.199 28.515 28.738 -0.040 0.000 0.896 153 Q HN 0.843 nan 8.270 nan 0.000 0.449 154 E N 0.509 120.691 120.200 -0.030 0.000 2.385 154 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 154 E C 1.570 178.156 176.600 -0.023 0.000 1.013 154 E CA 0.276 56.661 56.400 -0.024 0.000 0.866 154 E CB 0.079 29.767 29.700 -0.020 0.000 0.832 154 E HN 0.220 nan 8.360 nan 0.000 0.500 155 K N 0.754 121.138 120.400 -0.026 0.000 2.283 155 K HA 0.035 4.355 4.320 -0.000 0.000 0.202 155 K C 1.900 178.484 176.600 -0.027 0.000 1.048 155 K CA 0.792 57.065 56.287 -0.023 0.000 0.948 155 K CB 0.097 32.583 32.500 -0.025 0.000 0.742 155 K HN 0.049 nan 8.250 nan 0.000 0.458 156 A N 1.379 124.177 122.820 -0.036 0.000 1.874 156 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 156 A C 1.378 178.940 177.584 -0.036 0.000 1.189 156 A CA 1.328 53.337 52.037 -0.046 0.000 0.615 156 A CB -0.136 18.830 19.000 -0.057 0.000 0.830 156 A HN 0.188 nan 8.150 nan 0.000 0.443 157 D N -0.099 120.284 120.400 -0.028 0.000 2.378 157 D HA -0.056 4.584 4.640 -0.000 0.000 0.227 157 D C 0.739 177.032 176.300 -0.012 0.000 1.012 157 D CA 0.646 54.634 54.000 -0.020 0.000 0.905 157 D CB -0.366 40.423 40.800 -0.017 0.000 0.895 157 D HN 0.599 nan 8.370 nan 0.000 0.532 158 N N -0.354 118.339 118.700 -0.011 0.000 2.353 158 N HA 0.115 4.855 4.740 -0.000 0.000 0.185 158 N C 1.131 176.642 175.510 0.002 0.000 1.098 158 N CA 0.318 53.367 53.050 -0.003 0.000 0.872 158 N CB 0.863 39.349 38.487 -0.002 0.000 0.970 158 N HN 0.113 nan 8.380 nan 0.000 0.467 159 G N 0.528 109.325 108.800 -0.005 0.000 2.141 159 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.231 159 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.231 159 G C 0.709 175.608 174.900 -0.001 0.000 0.984 159 G CA 0.060 45.160 45.100 0.001 0.000 0.660 159 G HN 0.191 nan 8.290 nan 0.000 0.525 160 E N -0.168 120.024 120.200 -0.013 0.000 2.048 160 E HA 0.207 4.557 4.350 -0.000 0.000 0.193 160 E C 1.631 178.192 176.600 -0.064 0.000 0.956 160 E CA -0.053 56.340 56.400 -0.011 0.000 0.846 160 E CB -0.304 29.396 29.700 0.001 0.000 0.827 160 E HN 0.336 nan 8.360 nan 0.000 0.466 161 L N 2.386 123.558 121.223 -0.085 0.000 2.706 161 L HA -0.090 4.250 4.340 -0.000 0.000 0.282 161 L C 0.074 176.791 176.870 -0.255 0.000 1.219 161 L CA 1.001 55.753 54.840 -0.145 0.000 0.935 161 L CB -0.707 41.284 42.059 -0.114 0.000 1.204 161 L HN 0.146 nan 8.230 nan 0.000 0.491 162 L N 5.631 126.562 121.223 -0.488 0.000 2.446 162 L HA 0.308 4.648 4.340 -0.000 0.000 0.268 162 L C -0.020 176.166 176.870 -1.139 0.000 0.975 162 L CA -0.624 53.743 54.840 -0.787 0.000 0.848 162 L CB 1.755 43.084 42.059 -1.218 0.000 1.225 162 L HN 0.341 nan 8.230 nan 0.000 0.410 163 F N 2.823 122.292 119.950 -0.802 0.000 2.426 163 F HA 0.706 5.233 4.527 -0.000 0.000 0.309 163 F C 0.737 176.086 175.800 -0.752 0.000 1.246 163 F CA 0.460 58.063 58.000 -0.662 0.000 1.229 163 F CB 1.242 39.978 39.000 -0.440 0.000 1.255 163 F HN 0.467 nan 8.300 nan 0.000 0.558 164 G N 1.511 109.165 108.800 -1.911 0.000 2.249 164 G HA2 0.338 4.298 3.960 -0.000 0.000 0.252 164 G HA3 0.338 4.298 3.960 -0.000 0.000 0.252 164 G C -0.737 173.920 174.900 -0.405 0.000 1.697 164 G CA -0.509 44.011 45.100 -0.966 0.000 0.916 164 G HN 0.972 nan 8.290 nan 0.000 0.725 165 T N 0.162 114.557 114.554 -0.266 0.000 2.885 165 T HA 0.429 4.779 4.350 -0.000 0.000 0.356 165 T C 1.980 176.770 174.700 0.150 0.000 1.137 165 T CA 0.118 62.213 62.100 -0.010 0.000 1.014 165 T CB 0.517 69.415 68.868 0.050 0.000 1.410 165 T HN 0.488 nan 8.240 nan 0.000 0.532 166 I N 1.730 122.402 120.570 0.170 0.000 2.614 166 I HA -0.122 4.047 4.170 -0.000 0.000 0.258 166 I C 2.565 178.792 176.117 0.183 0.000 1.189 166 I CA 1.453 62.897 61.300 0.241 0.000 1.462 166 I CB -0.614 37.522 38.000 0.227 0.000 1.092 166 I HN 0.775 nan 8.210 nan 0.000 0.442 167 D N 0.218 120.678 120.400 0.099 0.000 2.117 167 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 167 D C 1.968 178.285 176.300 0.030 0.000 0.982 167 D CA 1.208 55.220 54.000 0.020 0.000 0.828 167 D CB -0.261 40.524 40.800 -0.025 0.000 0.967 167 D HN 0.121 nan 8.370 nan 0.000 0.464 168 S N -0.963 114.810 115.700 0.121 0.000 2.522 168 S HA -0.012 4.458 4.470 -0.000 0.000 0.227 168 S C 1.144 175.946 174.600 0.336 0.000 0.986 168 S CA 0.008 58.348 58.200 0.233 0.000 0.929 168 S CB -0.425 62.961 63.200 0.310 0.000 0.769 168 S HN 0.481 nan 8.310 nan 0.000 0.529 169 W N 0.970 122.301 121.300 0.052 0.000 2.576 169 W HA 0.111 4.771 4.660 -0.000 0.000 0.275 169 W C 0.908 177.437 176.519 0.017 0.000 1.241 169 W CA 0.333 57.650 57.345 -0.046 0.000 1.328 169 W CB 0.012 29.480 29.460 0.014 0.000 1.092 169 W HN 0.219 nan 8.180 nan 0.000 0.586 170 L N 0.306 121.395 121.223 -0.224 0.000 2.291 170 L HA -0.128 4.212 4.340 -0.000 0.000 0.214 170 L C 1.824 178.412 176.870 -0.470 0.000 1.120 170 L CA 0.493 54.980 54.840 -0.588 0.000 0.799 170 L CB -0.608 41.154 42.059 -0.496 0.000 0.925 170 L HN -0.166 nan 8.230 nan 0.000 0.446 171 V N -2.077 117.686 119.914 -0.252 0.000 3.379 171 V HA -0.093 4.026 4.120 -0.000 0.000 0.249 171 V C 1.820 177.863 176.094 -0.085 0.000 1.184 171 V CA 0.208 62.397 62.300 -0.185 0.000 1.106 171 V CB 0.103 31.814 31.823 -0.186 0.000 0.826 171 V HN 0.561 nan 8.190 nan 0.000 0.465 172 W N 3.106 124.310 121.300 -0.159 0.000 2.318 172 W HA -0.278 4.382 4.660 -0.000 0.000 0.313 172 W C 2.190 178.620 176.519 -0.149 0.000 1.221 172 W CA 2.572 59.904 57.345 -0.020 0.000 1.266 172 W CB -0.008 29.539 29.460 0.144 0.000 1.150 172 W HN 0.280 nan 8.180 nan 0.000 0.496 173 K N 0.037 120.158 120.400 -0.465 0.000 2.459 173 K HA 0.005 4.325 4.320 -0.000 0.000 0.193 173 K C 1.568 177.891 176.600 -0.461 0.000 1.030 173 K CA 0.627 56.477 56.287 -0.728 0.000 1.026 173 K CB -0.767 31.360 32.500 -0.623 0.000 0.809 173 K HN 0.296 nan 8.250 nan 0.000 0.504 174 L N 3.078 124.095 121.223 -0.343 0.000 2.786 174 L HA -0.025 4.315 4.340 -0.000 0.000 0.250 174 L C 0.102 176.869 176.870 -0.171 0.000 1.151 174 L CA 0.366 55.060 54.840 -0.244 0.000 0.910 174 L CB -0.724 41.215 42.059 -0.199 0.000 1.082 174 L HN 0.393 nan 8.230 nan 0.000 0.433 175 T N -6.737 107.689 114.554 -0.212 0.000 2.812 175 T HA 0.194 4.543 4.350 -0.000 0.000 0.294 175 T C -0.059 174.518 174.700 -0.206 0.000 1.159 175 T CA -0.877 61.132 62.100 -0.152 0.000 1.008 175 T CB 1.342 70.139 68.868 -0.118 0.000 1.289 175 T HN -0.170 nan 8.240 nan 0.000 0.514 176 D N 1.064 121.374 120.400 -0.150 0.000 2.911 176 D HA 0.270 4.910 4.640 -0.000 0.000 0.233 176 D C 1.416 177.593 176.300 -0.206 0.000 1.134 176 D CA 1.087 54.996 54.000 -0.153 0.000 1.011 176 D CB -0.743 40.002 40.800 -0.092 0.000 1.174 176 D HN 1.061 nan 8.370 nan 0.000 0.440 177 G N 1.140 109.723 108.800 -0.362 0.000 2.143 177 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.248 177 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.248 177 G C 1.086 175.755 174.900 -0.386 0.000 0.991 177 G CA 0.221 45.009 45.100 -0.519 0.000 0.689 177 G HN 0.330 nan 8.290 nan 0.000 0.522 178 Q N -0.360 119.274 119.800 -0.277 0.000 1.922 178 Q HA 0.248 4.588 4.340 -0.000 0.000 0.224 178 Q C 1.715 177.679 176.000 -0.059 0.000 0.973 178 Q CA 0.434 56.167 55.803 -0.117 0.000 0.858 178 Q CB -0.886 27.814 28.738 -0.064 0.000 0.910 178 Q HN 0.558 nan 8.270 nan 0.000 0.456 179 V N 2.789 122.684 119.914 -0.031 0.000 2.644 179 V HA -0.135 3.984 4.120 -0.000 0.000 0.305 179 V C -0.279 175.954 176.094 0.232 0.000 1.053 179 V CA 0.632 62.987 62.300 0.092 0.000 1.186 179 V CB -0.099 31.775 31.823 0.085 0.000 0.895 179 V HN 0.385 nan 8.190 nan 0.000 0.490 180 H N 5.218 124.444 119.070 0.259 0.000 2.572 180 H HA 0.543 5.099 4.556 -0.000 0.000 0.248 180 H C -0.592 174.887 175.328 0.252 0.000 1.397 180 H CA -0.297 56.014 56.048 0.437 0.000 1.319 180 H CB 0.738 30.726 29.762 0.378 0.000 1.452 180 H HN 0.366 nan 8.280 nan 0.000 0.535 181 V N 3.551 123.625 119.914 0.266 0.000 2.715 181 V HA 0.550 4.670 4.120 -0.000 0.000 0.310 181 V C 0.072 176.139 176.094 -0.045 0.000 1.054 181 V CA -0.479 61.834 62.300 0.021 0.000 0.928 181 V CB 2.212 33.963 31.823 -0.120 0.000 1.007 181 V HN 0.758 nan 8.190 nan 0.000 0.437 182 T N 2.236 116.725 114.554 -0.108 0.000 2.831 182 T HA 0.548 4.898 4.350 -0.000 0.000 0.287 182 T C -1.317 173.236 174.700 -0.244 0.000 1.070 182 T CA -0.820 61.212 62.100 -0.114 0.000 1.010 182 T CB 1.926 70.807 68.868 0.020 0.000 1.264 182 T HN 0.829 nan 8.240 nan 0.000 0.532 183 D N -0.679 119.573 120.400 -0.246 0.000 2.450 183 D HA 0.261 4.901 4.640 -0.000 0.000 0.238 183 D C -0.073 176.035 176.300 -0.320 0.000 1.020 183 D CA -0.712 53.109 54.000 -0.297 0.000 1.010 183 D CB 1.175 41.855 40.800 -0.201 0.000 1.342 183 D HN 0.365 nan 8.370 nan 0.000 0.530 184 Y N 0.277 120.487 120.300 -0.149 0.000 2.373 184 Y HA -0.087 4.463 4.550 -0.000 0.000 0.293 184 Y C 2.735 178.508 175.900 -0.212 0.000 1.129 184 Y CA 0.724 58.706 58.100 -0.196 0.000 1.226 184 Y CB -0.203 38.208 38.460 -0.082 0.000 1.000 184 Y HN 0.289 nan 8.280 nan 0.000 0.549 185 S N -0.047 115.642 115.700 -0.018 0.000 2.357 185 S HA -0.131 4.339 4.470 -0.000 0.000 0.221 185 S C 1.575 176.128 174.600 -0.079 0.000 1.031 185 S CA 1.421 59.597 58.200 -0.040 0.000 0.982 185 S CB -0.266 62.909 63.200 -0.043 0.000 0.853 185 S HN 0.500 nan 8.310 nan 0.000 0.458 186 N N 1.365 120.003 118.700 -0.105 0.000 2.424 186 N HA 0.262 5.002 4.740 -0.000 0.000 0.178 186 N C 1.476 176.929 175.510 -0.096 0.000 1.060 186 N CA 0.669 53.673 53.050 -0.078 0.000 0.901 186 N CB -0.182 38.274 38.487 -0.053 0.000 0.979 186 N HN 0.359 nan 8.380 nan 0.000 0.451 187 A N 0.409 123.070 122.820 -0.265 0.000 1.929 187 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 187 A C 2.139 179.413 177.584 -0.517 0.000 1.176 187 A CA 1.556 53.266 52.037 -0.545 0.000 0.628 187 A CB -0.684 17.570 19.000 -1.243 0.000 0.816 187 A HN 0.371 nan 8.150 nan 0.000 0.444 188 S N -0.746 114.753 115.700 -0.335 0.000 2.481 188 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 188 S C 1.647 176.244 174.600 -0.005 0.000 0.996 188 S CA 0.531 58.697 58.200 -0.056 0.000 0.942 188 S CB -0.229 62.976 63.200 0.009 0.000 0.768 188 S HN 0.485 nan 8.310 nan 0.000 0.520 189 R N 1.448 121.954 120.500 0.010 0.000 2.310 189 R HA 0.102 4.442 4.340 -0.000 0.000 0.202 189 R C 2.010 178.420 176.300 0.183 0.000 0.933 189 R CA 1.183 57.342 56.100 0.098 0.000 1.054 189 R CB -0.724 29.614 30.300 0.063 0.000 0.985 189 R HN 0.794 nan 8.270 nan 0.000 0.489 190 T N -2.974 111.688 114.554 0.180 0.000 3.054 190 T HA 0.032 4.382 4.350 -0.000 0.000 0.259 190 T C 1.344 176.173 174.700 0.214 0.000 1.092 190 T CA 0.401 62.685 62.100 0.306 0.000 1.121 190 T CB 0.056 69.242 68.868 0.531 0.000 0.912 190 T HN 0.184 nan 8.240 nan 0.000 0.489 191 M N -0.464 119.206 119.600 0.116 0.000 2.872 191 M HA -0.152 4.328 4.480 -0.000 0.000 0.200 191 M C -0.196 176.171 176.300 0.112 0.000 0.582 191 M CA 0.655 55.985 55.300 0.049 0.000 0.706 191 M CB -1.390 31.229 32.600 0.033 0.000 2.560 191 M HN 0.403 nan 8.290 nan 0.000 0.476 192 L N -1.118 120.221 121.223 0.193 0.000 3.086 192 L HA 0.302 4.641 4.340 -0.000 0.000 0.274 192 L C 0.105 177.213 176.870 0.396 0.000 1.184 192 L CA -0.355 54.627 54.840 0.237 0.000 1.002 192 L CB 0.546 42.703 42.059 0.164 0.000 1.383 192 L HN 0.366 nan 8.230 nan 0.000 0.582 193 Y N 0.625 120.975 120.300 0.084 0.000 2.496 193 Y HA 0.429 4.979 4.550 -0.000 0.000 0.331 193 Y C -0.060 175.781 175.900 -0.099 0.000 1.140 193 Y CA -1.083 56.933 58.100 -0.139 0.000 1.166 193 Y CB 1.291 39.510 38.460 -0.401 0.000 1.249 193 Y HN -0.143 nan 8.280 nan 0.000 0.479 194 N N 4.806 123.153 118.700 -0.589 0.000 2.424 194 N HA 0.168 4.908 4.740 -0.000 0.000 0.271 194 N C 0.429 175.633 175.510 -0.511 0.000 0.985 194 N CA 0.013 52.822 53.050 -0.401 0.000 0.921 194 N CB 1.145 39.460 38.487 -0.286 0.000 1.149 194 N HN 0.999 nan 8.380 nan 0.000 0.492 195 I N 3.087 123.508 120.570 -0.249 0.000 2.761 195 I HA -0.148 4.022 4.170 -0.000 0.000 0.261 195 I C 0.880 176.884 176.117 -0.189 0.000 1.198 195 I CA 0.888 62.082 61.300 -0.176 0.000 1.482 195 I CB 0.182 38.082 38.000 -0.166 0.000 1.100 195 I HN 0.620 nan 8.210 nan 0.000 0.445 196 H N -0.099 118.941 119.070 -0.050 0.000 2.418 196 H HA 0.068 4.624 4.556 -0.000 0.000 0.300 196 H C 1.755 177.038 175.328 -0.074 0.000 1.041 196 H CA 0.687 56.712 56.048 -0.038 0.000 1.364 196 H CB 0.218 29.935 29.762 -0.075 0.000 1.439 196 H HN 0.052 nan 8.280 nan 0.000 0.540 197 K N 0.460 120.851 120.400 -0.014 0.000 2.432 197 K HA 0.023 4.343 4.320 -0.000 0.000 0.196 197 K C -0.040 176.485 176.600 -0.125 0.000 1.038 197 K CA 0.228 56.476 56.287 -0.066 0.000 0.986 197 K CB 0.492 32.946 32.500 -0.076 0.000 0.782 197 K HN 0.025 nan 8.250 nan 0.000 0.485 198 L N 0.510 121.594 121.223 -0.231 0.000 4.625 198 L HA -0.255 4.085 4.340 -0.000 0.000 0.428 198 L C -0.184 176.551 176.870 -0.226 0.000 1.129 198 L CA 1.423 56.137 54.840 -0.209 0.000 0.978 198 L CB -1.194 40.815 42.059 -0.084 0.000 2.043 198 L HN 0.214 nan 8.230 nan 0.000 0.847 199 E N -2.217 117.745 120.200 -0.397 0.000 2.370 199 E HA 0.375 4.725 4.350 -0.000 0.000 0.259 199 E C -0.650 175.661 176.600 -0.482 0.000 0.947 199 E CA -0.693 55.556 56.400 -0.250 0.000 0.809 199 E CB 0.596 30.285 29.700 -0.019 0.000 1.300 199 E HN 0.114 nan 8.360 nan 0.000 0.419 200 W N 1.159 122.450 121.300 -0.016 0.000 2.304 200 W HA 0.135 4.795 4.660 -0.000 0.000 0.313 200 W C 0.286 176.789 176.519 -0.025 0.000 1.323 200 W CA -0.080 57.289 57.345 0.040 0.000 1.223 200 W CB 0.264 29.794 29.460 0.116 0.000 1.237 200 W HN 0.233 nan 8.180 nan 0.000 0.535 201 D N 2.684 123.171 120.400 0.145 0.000 2.363 201 D HA -0.044 4.596 4.640 -0.000 0.000 0.263 201 D C 1.072 177.443 176.300 0.119 0.000 1.258 201 D CA 0.417 54.468 54.000 0.084 0.000 0.907 201 D CB 0.935 41.766 40.800 0.052 0.000 1.107 201 D HN 0.308 nan 8.370 nan 0.000 0.495 202 Q N 2.506 122.357 119.800 0.085 0.000 2.432 202 Q HA -0.035 4.305 4.340 -0.000 0.000 0.205 202 Q C 0.810 176.842 176.000 0.054 0.000 0.945 202 Q CA 0.522 56.365 55.803 0.066 0.000 0.924 202 Q CB 0.450 29.219 28.738 0.052 0.000 1.016 202 Q HN 0.621 nan 8.270 nan 0.000 0.503 203 E N 0.103 120.342 120.200 0.065 0.000 2.435 203 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 203 E C 1.636 178.306 176.600 0.116 0.000 1.029 203 E CA 0.368 56.816 56.400 0.079 0.000 0.865 203 E CB 0.415 30.163 29.700 0.080 0.000 0.833 203 E HN 0.398 nan 8.360 nan 0.000 0.510 204 I N -0.560 120.078 120.570 0.113 0.000 3.194 204 I HA -0.099 4.071 4.170 -0.000 0.000 0.271 204 I C 2.032 178.163 176.117 0.024 0.000 1.150 204 I CA 0.010 61.379 61.300 0.115 0.000 1.440 204 I CB 0.028 38.135 38.000 0.178 0.000 1.276 204 I HN -0.024 nan 8.210 nan 0.000 0.457 205 L N 1.205 122.447 121.223 0.032 0.000 2.010 205 L HA -0.331 4.009 4.340 -0.000 0.000 0.219 205 L C 2.074 178.928 176.870 -0.026 0.000 1.077 205 L CA 2.088 56.924 54.840 -0.007 0.000 0.773 205 L CB -0.665 41.401 42.059 0.010 0.000 0.892 205 L HN 0.259 nan 8.230 nan 0.000 0.436 206 D N -0.954 119.438 120.400 -0.014 0.000 2.087 206 D HA -0.225 4.415 4.640 -0.000 0.000 0.192 206 D C 2.240 178.518 176.300 -0.036 0.000 0.993 206 D CA 1.307 55.294 54.000 -0.022 0.000 0.828 206 D CB -0.428 40.366 40.800 -0.011 0.000 0.968 206 D HN 0.158 nan 8.370 nan 0.000 0.448 207 L N 0.426 121.618 121.223 -0.052 0.000 2.089 207 L HA -0.180 4.160 4.340 -0.000 0.000 0.213 207 L C 2.068 178.895 176.870 -0.071 0.000 1.079 207 L CA 1.374 56.164 54.840 -0.083 0.000 0.758 207 L CB -0.300 41.659 42.059 -0.166 0.000 0.891 207 L HN 0.107 nan 8.230 nan 0.000 0.433 208 L N -2.206 118.980 121.223 -0.062 0.000 2.628 208 L HA 0.206 4.546 4.340 -0.000 0.000 0.229 208 L C 0.583 177.428 176.870 -0.041 0.000 1.137 208 L CA 0.048 54.861 54.840 -0.045 0.000 0.909 208 L CB -0.598 41.435 42.059 -0.044 0.000 1.137 208 L HN 0.284 nan 8.230 nan 0.000 0.470 209 N N -0.249 118.426 118.700 -0.042 0.000 2.753 209 N HA -0.193 4.546 4.740 -0.000 0.000 0.251 209 N C -0.088 175.391 175.510 -0.052 0.000 1.097 209 N CA 0.423 53.448 53.050 -0.041 0.000 0.786 209 N CB -1.229 37.237 38.487 -0.035 0.000 1.137 209 N HN 0.330 nan 8.380 nan 0.000 0.566 210 I N 0.950 121.481 120.570 -0.065 0.000 2.416 210 I HA 0.218 4.388 4.170 -0.000 0.000 0.288 210 I C -1.696 174.370 176.117 -0.084 0.000 1.051 210 I CA -1.419 59.826 61.300 -0.091 0.000 1.375 210 I CB 0.837 38.758 38.000 -0.132 0.000 1.407 210 I HN -0.177 nan 8.210 nan 0.000 0.516 211 P HA 0.208 nan 4.420 nan 0.000 0.297 211 P C 0.202 177.447 177.300 -0.092 0.000 1.303 211 P CA -0.249 62.807 63.100 -0.073 0.000 0.753 211 P CB 0.747 32.405 31.700 -0.069 0.000 1.281 212 S N -1.527 114.130 115.700 -0.072 0.000 2.511 212 S HA 0.012 4.482 4.470 -0.000 0.000 0.214 212 S C 1.567 176.110 174.600 -0.094 0.000 0.997 212 S CA 0.345 58.496 58.200 -0.081 0.000 0.908 212 S CB -0.308 62.874 63.200 -0.031 0.000 0.803 212 S HN 0.284 nan 8.310 nan 0.000 0.504 213 S N 1.658 117.312 115.700 -0.076 0.000 2.603 213 S HA 0.180 4.650 4.470 -0.000 0.000 0.229 213 S C 1.333 175.872 174.600 -0.101 0.000 0.972 213 S CA 0.541 58.703 58.200 -0.063 0.000 0.935 213 S CB -0.139 63.033 63.200 -0.046 0.000 0.769 213 S HN 0.430 nan 8.310 nan 0.000 0.536 214 M N 0.569 120.077 119.600 -0.153 0.000 2.068 214 M HA 0.228 4.708 4.480 -0.000 0.000 0.220 214 M C -0.046 176.088 176.300 -0.276 0.000 1.246 214 M CA 0.270 55.444 55.300 -0.209 0.000 1.126 214 M CB -0.558 31.923 32.600 -0.198 0.000 1.088 214 M HN 0.074 nan 8.290 nan 0.000 0.435 215 L N 1.811 122.784 121.223 -0.416 0.000 2.931 215 L HA -0.153 4.187 4.340 -0.000 0.000 0.321 215 L C -2.311 174.087 176.870 -0.787 0.000 1.210 215 L CA -0.716 53.655 54.840 -0.783 0.000 0.856 215 L CB -1.118 40.085 42.059 -1.427 0.000 1.164 215 L HN 0.012 nan 8.230 nan 0.000 0.527 216 P HA 0.017 nan 4.420 nan 0.000 0.272 216 P C -0.344 176.818 177.300 -0.231 0.000 1.240 216 P CA -0.318 62.253 63.100 -0.882 0.000 0.791 216 P CB 0.516 31.855 31.700 -0.603 0.000 0.978 217 E N 1.395 121.518 120.200 -0.129 0.000 2.081 217 E HA 0.072 4.422 4.350 -0.000 0.000 0.270 217 E C -0.524 176.154 176.600 0.130 0.000 1.180 217 E CA -0.283 56.178 56.400 0.103 0.000 0.926 217 E CB 0.118 29.886 29.700 0.113 0.000 1.035 217 E HN 0.052 nan 8.360 nan 0.000 0.418 218 V N 6.270 126.340 119.914 0.259 0.000 2.421 218 V HA 0.079 4.199 4.120 -0.000 0.000 0.271 218 V C -0.134 175.868 176.094 -0.153 0.000 1.031 218 V CA 0.473 62.802 62.300 0.048 0.000 1.032 218 V CB 0.335 32.182 31.823 0.039 0.000 1.009 218 V HN 0.638 nan 8.190 nan 0.000 0.477 219 K N 3.779 124.023 120.400 -0.260 0.000 2.502 219 K HA 0.574 4.894 4.320 -0.000 0.000 0.256 219 K C 0.253 176.540 176.600 -0.522 0.000 1.053 219 K CA -0.808 55.338 56.287 -0.234 0.000 1.002 219 K CB 1.282 33.808 32.500 0.043 0.000 1.384 219 K HN 0.589 nan 8.250 nan 0.000 0.537 220 S N 0.569 116.195 115.700 -0.123 0.000 2.655 220 S HA 0.080 4.550 4.470 -0.000 0.000 0.265 220 S C 0.838 175.485 174.600 0.079 0.000 1.240 220 S CA -0.461 57.752 58.200 0.021 0.000 0.986 220 S CB 0.562 63.878 63.200 0.193 0.000 0.985 220 S HN 0.489 nan 8.310 nan 0.000 0.562 221 N N 0.349 119.107 118.700 0.097 0.000 2.376 221 N HA 0.037 4.777 4.740 -0.000 0.000 0.177 221 N C 0.019 175.524 175.510 -0.009 0.000 1.024 221 N CA 0.420 53.440 53.050 -0.051 0.000 0.893 221 N CB 0.252 38.531 38.487 -0.346 0.000 0.980 221 N HN 0.315 nan 8.380 nan 0.000 0.439 222 S N 0.326 116.060 115.700 0.055 0.000 2.542 222 S HA 0.293 4.763 4.470 -0.000 0.000 0.245 222 S C -1.434 173.161 174.600 -0.009 0.000 1.325 222 S CA -0.571 57.650 58.200 0.036 0.000 1.176 222 S CB 0.068 63.322 63.200 0.090 0.000 1.045 222 S HN 0.167 nan 8.310 nan 0.000 0.481 223 E N 2.567 122.642 120.200 -0.207 0.000 2.390 223 E HA 0.340 4.689 4.350 -0.000 0.000 0.280 223 E C -1.492 174.612 176.600 -0.827 0.000 0.992 223 E CA -0.707 55.482 56.400 -0.352 0.000 0.790 223 E CB 1.805 31.407 29.700 -0.164 0.000 1.248 223 E HN 0.348 nan 8.360 nan 0.000 0.447 224 V N 4.392 124.007 119.914 -0.498 0.000 2.405 224 V HA 0.074 4.194 4.120 -0.000 0.000 0.264 224 V C -0.043 175.818 176.094 -0.388 0.000 1.048 224 V CA 0.146 62.181 62.300 -0.442 0.000 0.966 224 V CB -0.207 31.512 31.823 -0.173 0.000 1.015 224 V HN 0.618 nan 8.190 nan 0.000 0.477 225 Y N 3.408 123.708 120.300 0.000 0.000 2.500 225 Y HA 0.535 5.085 4.550 -0.000 0.000 0.270 225 Y C 1.457 177.358 175.900 0.002 0.000 1.134 225 Y CA 0.358 58.458 58.100 0.001 0.000 1.293 225 Y CB 0.092 38.546 38.460 -0.010 0.000 1.063 225 Y HN 0.761 nan 8.280 nan 0.000 0.534 226 G N -1.599 107.252 108.800 0.085 0.000 2.455 226 G HA2 0.208 4.168 3.960 -0.000 0.000 0.223 226 G HA3 0.208 4.168 3.960 -0.000 0.000 0.223 226 G C -2.018 172.944 174.900 0.102 0.000 1.226 226 G CA -0.875 44.273 45.100 0.079 0.000 0.948 226 G HN 0.121 nan 8.290 nan 0.000 0.478 227 H N -1.002 118.049 119.070 -0.031 0.000 2.865 227 H HA 0.818 5.374 4.556 -0.000 0.000 0.372 227 H C -0.870 174.427 175.328 -0.052 0.000 1.173 227 H CA 0.354 56.379 56.048 -0.039 0.000 1.147 227 H CB 2.586 32.325 29.762 -0.038 0.000 1.805 227 H HN 0.718 nan 8.280 nan 0.000 0.553 228 T N 1.648 116.063 114.554 -0.231 0.000 2.982 228 T HA 0.276 4.625 4.350 -0.000 0.000 0.321 228 T C -0.388 174.234 174.700 -0.129 0.000 1.229 228 T CA -0.790 61.229 62.100 -0.135 0.000 1.044 228 T CB 0.892 69.676 68.868 -0.141 0.000 1.184 228 T HN 0.671 nan 8.240 nan 0.000 0.477 229 R N 2.674 123.144 120.500 -0.050 0.000 3.298 229 R HA 0.266 4.606 4.340 -0.000 0.000 0.249 229 R C 0.130 176.420 176.300 -0.015 0.000 1.563 229 R CA -0.120 55.968 56.100 -0.020 0.000 1.378 229 R CB -0.350 29.953 30.300 0.005 0.000 1.250 229 R HN 0.531 nan 8.270 nan 0.000 0.580 239 P HA 0.605 nan 4.420 nan 0.000 0.276 239 P C -0.956 176.277 177.300 -0.111 0.000 1.244 239 P CA 0.235 63.235 63.100 -0.167 0.000 0.801 239 P CB 0.373 32.017 31.700 -0.093 0.000 1.006 240 I N 0.710 121.244 120.570 -0.060 0.000 2.304 240 I HA 0.454 4.624 4.170 -0.000 0.000 0.291 240 I C 0.887 176.982 176.117 -0.037 0.000 1.018 240 I CA 0.167 61.477 61.300 0.017 0.000 1.260 240 I CB 0.875 38.959 38.000 0.140 0.000 1.390 240 I HN 0.256 nan 8.210 nan 0.000 0.475 241 A N 4.545 127.345 122.820 -0.034 0.000 2.671 241 A HA 0.687 5.007 4.320 -0.000 0.000 0.265 241 A C 0.617 178.194 177.584 -0.011 0.000 1.148 241 A CA 0.026 51.969 52.037 -0.155 0.000 0.977 241 A CB 0.272 19.207 19.000 -0.108 0.000 1.242 241 A HN 0.727 nan 8.150 nan 0.000 0.591 242 G N 0.133 109.020 108.800 0.145 0.000 2.687 242 G HA2 0.592 4.552 3.960 -0.000 0.000 0.301 242 G HA3 0.592 4.552 3.960 -0.000 0.000 0.301 242 G C -1.170 173.799 174.900 0.115 0.000 1.416 242 G CA -0.314 44.858 45.100 0.120 0.000 1.005 242 G HN -0.027 nan 8.290 nan 0.000 0.509 243 M N 0.707 120.331 119.600 0.039 0.000 2.378 243 M HA 0.868 5.348 4.480 -0.000 0.000 0.289 243 M C -0.175 176.044 176.300 -0.135 0.000 1.136 243 M CA -1.134 54.124 55.300 -0.069 0.000 0.917 243 M CB 1.431 33.941 32.600 -0.150 0.000 1.669 243 M HN 1.360 nan 8.290 nan 0.000 0.461 244 A N 1.196 123.942 122.820 -0.124 0.000 2.441 244 A HA 0.758 5.078 4.320 -0.000 0.000 0.295 244 A C -0.726 176.805 177.584 -0.089 0.000 0.992 244 A CA -0.282 51.681 52.037 -0.123 0.000 0.603 244 A CB 0.216 19.126 19.000 -0.151 0.000 1.385 244 A HN 0.980 nan 8.150 nan 0.000 0.470 245 G N -0.853 107.897 108.800 -0.083 0.000 2.511 245 G HA2 0.477 4.437 3.960 -0.000 0.000 0.316 245 G HA3 0.477 4.437 3.960 -0.000 0.000 0.316 245 G C 0.313 175.164 174.900 -0.082 0.000 1.210 245 G CA 0.498 45.548 45.100 -0.083 0.000 0.969 245 G HN 1.009 nan 8.290 nan 0.000 0.492 246 D N -1.005 119.339 120.400 -0.093 0.000 2.310 246 D HA -0.105 4.535 4.640 -0.000 0.000 0.212 246 D C 1.423 177.667 176.300 -0.092 0.000 0.965 246 D CA 0.948 54.903 54.000 -0.075 0.000 0.879 246 D CB 0.216 40.989 40.800 -0.046 0.000 0.921 246 D HN 0.308 nan 8.370 nan 0.000 0.510 247 Q N -0.365 119.347 119.800 -0.147 0.000 2.378 247 Q HA 0.136 4.476 4.340 -0.000 0.000 0.229 247 Q C 1.719 177.692 176.000 -0.044 0.000 0.882 247 Q CA 0.361 56.090 55.803 -0.124 0.000 0.936 247 Q CB 0.203 28.781 28.738 -0.268 0.000 1.092 247 Q HN 0.345 nan 8.270 nan 0.000 0.535 248 Q N 0.234 120.010 119.800 -0.040 0.000 2.398 248 Q HA 0.198 4.538 4.340 -0.000 0.000 0.204 248 Q C 1.578 177.615 176.000 0.061 0.000 0.932 248 Q CA 0.960 56.772 55.803 0.015 0.000 0.916 248 Q CB 0.342 29.077 28.738 -0.005 0.000 1.024 248 Q HN 0.328 nan 8.270 nan 0.000 0.504 249 A N -0.051 122.791 122.820 0.036 0.000 2.063 249 A HA 0.301 4.621 4.320 -0.000 0.000 0.211 249 A C 1.982 179.619 177.584 0.088 0.000 1.177 249 A CA 0.775 52.865 52.037 0.089 0.000 0.759 249 A CB -0.152 18.853 19.000 0.007 0.000 0.857 249 A HN 0.289 nan 8.150 nan 0.000 0.468 250 A N -0.650 122.192 122.820 0.036 0.000 2.167 250 A HA 0.235 4.555 4.320 -0.000 0.000 0.214 250 A C 1.895 179.514 177.584 0.058 0.000 1.151 250 A CA 1.202 53.252 52.037 0.021 0.000 0.735 250 A CB -0.359 18.648 19.000 0.012 0.000 0.802 250 A HN 0.577 nan 8.150 nan 0.000 0.467 251 L N -2.240 119.044 121.223 0.102 0.000 2.202 251 L HA 0.204 4.543 4.340 -0.000 0.000 0.205 251 L C 1.921 178.915 176.870 0.207 0.000 1.083 251 L CA 1.627 56.545 54.840 0.130 0.000 0.790 251 L CB -0.503 41.630 42.059 0.125 0.000 0.942 251 L HN 0.346 nan 8.230 nan 0.000 0.452 252 F N 0.247 120.249 119.950 0.087 0.000 2.367 252 F HA 0.228 4.755 4.527 -0.000 0.000 0.298 252 F C 1.994 177.892 175.800 0.165 0.000 1.094 252 F CA 0.890 58.981 58.000 0.152 0.000 1.409 252 F CB -0.632 38.486 39.000 0.197 0.000 1.064 252 F HN 0.086 nan 8.300 nan 0.000 0.528 253 G N -0.581 108.214 108.800 -0.008 0.000 2.464 253 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 253 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 253 G C 1.372 176.269 174.900 -0.005 0.000 1.138 253 G CA 0.119 45.155 45.100 -0.108 0.000 0.793 253 G HN 0.317 nan 8.290 nan 0.000 0.539 254 Q N -0.281 119.532 119.800 0.021 0.000 2.365 254 Q HA 0.165 4.505 4.340 -0.000 0.000 0.203 254 Q C 0.573 176.586 176.000 0.020 0.000 0.929 254 Q CA -0.059 55.763 55.803 0.031 0.000 0.948 254 Q CB 0.039 28.802 28.738 0.043 0.000 1.043 254 Q HN 0.305 nan 8.270 nan 0.000 0.505 255 M N -0.836 118.768 119.600 0.008 0.000 2.450 255 M HA -0.247 4.233 4.480 -0.000 0.000 0.192 255 M C 0.410 176.707 176.300 -0.006 0.000 0.753 255 M CA 0.720 56.013 55.300 -0.012 0.000 0.532 255 M CB -2.348 30.222 32.600 -0.050 0.000 1.263 255 M HN 0.223 nan 8.290 nan 0.000 0.885 256 A N 1.223 124.075 122.820 0.055 0.000 2.109 256 A HA 0.389 4.709 4.320 -0.000 0.000 0.220 256 A C 0.822 178.358 177.584 -0.079 0.000 1.613 256 A CA 0.614 52.660 52.037 0.015 0.000 0.620 256 A CB -0.592 18.452 19.000 0.073 0.000 1.212 256 A HN 1.087 nan 8.150 nan 0.000 0.508 257 F N 0.750 120.676 119.950 -0.040 0.000 1.859 257 F HA -0.053 4.474 4.527 -0.000 0.000 0.456 257 F C -0.445 175.307 175.800 -0.081 0.000 0.847 257 F CA 1.028 58.913 58.000 -0.191 0.000 0.947 257 F CB -0.343 38.511 39.000 -0.243 0.000 0.737 257 F HN 0.560 nan 8.300 nan 0.000 0.516 258 E N 3.337 123.389 120.200 -0.247 0.000 3.086 258 E HA 0.014 4.364 4.350 -0.000 0.000 0.339 258 E C -1.293 175.349 176.600 0.070 0.000 1.235 258 E CA -0.957 55.354 56.400 -0.149 0.000 1.377 258 E CB 0.414 29.926 29.700 -0.314 0.000 1.071 258 E HN 0.704 nan 8.360 nan 0.000 0.405 259 K N 0.511 120.984 120.400 0.122 0.000 2.363 259 K HA 0.419 4.739 4.320 -0.000 0.000 0.289 259 K C 0.981 177.626 176.600 0.075 0.000 1.063 259 K CA 1.051 57.418 56.287 0.133 0.000 0.967 259 K CB 0.223 32.788 32.500 0.108 0.000 0.987 259 K HN 0.759 nan 8.250 nan 0.000 0.473 260 G N 2.927 111.778 108.800 0.084 0.000 2.179 260 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 260 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 260 G C 0.059 174.985 174.900 0.043 0.000 0.990 260 G CA -0.609 44.524 45.100 0.056 0.000 0.646 260 G HN 0.517 nan 8.290 nan 0.000 0.517 261 M N 1.644 121.269 119.600 0.041 0.000 2.108 261 M HA 0.521 5.001 4.480 -0.000 0.000 0.347 261 M C 0.479 176.807 176.300 0.046 0.000 1.326 261 M CA 0.186 55.501 55.300 0.026 0.000 1.126 261 M CB 0.565 33.162 32.600 -0.006 0.000 1.606 261 M HN 0.176 nan 8.290 nan 0.000 0.462 262 I N 2.928 123.522 120.570 0.041 0.000 2.947 262 I HA 0.650 4.820 4.170 -0.000 0.000 0.314 262 I C -0.262 175.881 176.117 0.043 0.000 1.028 262 I CA -1.044 60.284 61.300 0.047 0.000 1.077 262 I CB 1.849 39.874 38.000 0.041 0.000 1.274 262 I HN 0.578 nan 8.210 nan 0.000 0.485 263 K N 1.215 121.641 120.400 0.043 0.000 2.466 263 K HA 0.606 4.926 4.320 -0.000 0.000 0.277 263 K C -1.335 175.277 176.600 0.020 0.000 1.039 263 K CA -0.907 55.405 56.287 0.041 0.000 0.904 263 K CB 1.350 33.879 32.500 0.049 0.000 1.506 263 K HN 0.437 nan 8.250 nan 0.000 0.441 264 N N -0.255 118.450 118.700 0.008 0.000 2.578 264 N HA 0.297 5.037 4.740 -0.000 0.000 0.282 264 N C -1.872 173.564 175.510 -0.124 0.000 1.119 264 N CA -0.300 52.694 53.050 -0.093 0.000 0.948 264 N CB 2.231 40.656 38.487 -0.103 0.000 1.546 264 N HN 0.701 nan 8.380 nan 0.000 0.525 265 T N 3.456 117.916 114.554 -0.156 0.000 2.767 265 T HA 0.332 4.682 4.350 -0.000 0.000 0.284 265 T C -0.298 174.286 174.700 -0.193 0.000 0.973 265 T CA -0.053 62.013 62.100 -0.057 0.000 0.996 265 T CB 0.452 69.358 68.868 0.062 0.000 0.927 265 T HN 0.275 nan 8.240 nan 0.000 0.456 266 Y N 2.112 122.448 120.300 0.061 0.000 2.793 266 Y HA 0.418 4.968 4.550 -0.000 0.000 0.374 266 Y C 1.375 177.321 175.900 0.076 0.000 1.135 266 Y CA -0.878 57.248 58.100 0.042 0.000 1.451 266 Y CB 0.223 38.688 38.460 0.007 0.000 1.541 266 Y HN 0.881 nan 8.280 nan 0.000 0.546 267 G N 0.099 109.021 108.800 0.204 0.000 2.632 267 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.220 267 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.220 267 G C 1.240 176.277 174.900 0.229 0.000 1.439 267 G CA 0.889 46.118 45.100 0.214 0.000 0.934 267 G HN 0.350 nan 8.290 nan 0.000 0.536 268 T N -0.541 114.200 114.554 0.312 0.000 3.018 268 T HA 0.399 4.749 4.350 -0.000 0.000 0.246 268 T C 0.732 175.626 174.700 0.323 0.000 1.026 268 T CA 0.619 62.926 62.100 0.344 0.000 1.081 268 T CB 0.744 69.918 68.868 0.511 0.000 0.970 268 T HN 0.561 nan 8.240 nan 0.000 0.475 269 G N 0.366 109.318 108.800 0.253 0.000 2.619 269 G HA2 0.623 4.583 3.960 -0.000 0.000 0.296 269 G HA3 0.623 4.583 3.960 -0.000 0.000 0.296 269 G C -1.310 173.284 174.900 -0.510 0.000 1.334 269 G CA -0.693 44.314 45.100 -0.155 0.000 0.934 269 G HN 0.286 nan 8.290 nan 0.000 0.476 270 A N 0.785 123.269 122.820 -0.559 0.000 2.415 270 A HA 0.670 4.989 4.320 -0.000 0.000 0.309 270 A C -1.015 176.184 177.584 -0.642 0.000 1.356 270 A CA -0.363 51.341 52.037 -0.554 0.000 0.998 270 A CB -0.540 18.217 19.000 -0.406 0.000 1.145 270 A HN 0.443 nan 8.150 nan 0.000 0.545 271 F N 2.946 122.770 119.950 -0.210 0.000 2.388 271 F HA 0.454 4.981 4.527 -0.000 0.000 0.358 271 F C 0.230 175.944 175.800 -0.143 0.000 1.122 271 F CA -0.622 57.283 58.000 -0.159 0.000 1.056 271 F CB 1.381 40.295 39.000 -0.144 0.000 1.155 271 F HN 0.354 nan 8.300 nan 0.000 0.461 272 I N 5.103 125.700 120.570 0.044 0.000 2.328 272 I HA 0.390 4.560 4.170 -0.000 0.000 0.287 272 I C -0.856 175.297 176.117 0.060 0.000 1.012 272 I CA -0.810 60.500 61.300 0.017 0.000 1.195 272 I CB 1.060 39.047 38.000 -0.022 0.000 1.350 272 I HN 0.202 nan 8.210 nan 0.000 0.464 273 V N 6.727 126.681 119.914 0.066 0.000 2.459 273 V HA 0.495 4.614 4.120 -0.000 0.000 0.295 273 V C -0.095 176.048 176.094 0.083 0.000 1.029 273 V CA -0.638 61.710 62.300 0.080 0.000 0.874 273 V CB 1.996 33.866 31.823 0.078 0.000 0.985 273 V HN 0.756 nan 8.190 nan 0.000 0.438 274 M N 4.254 123.912 119.600 0.096 0.000 2.321 274 M HA 0.498 4.978 4.480 -0.000 0.000 0.315 274 M C -0.664 175.724 176.300 0.146 0.000 1.052 274 M CA -0.354 55.008 55.300 0.103 0.000 0.936 274 M CB 1.407 34.058 32.600 0.085 0.000 1.639 274 M HN 0.717 nan 8.290 nan 0.000 0.433 275 N N 3.039 121.841 118.700 0.170 0.000 2.442 275 N HA 0.186 4.926 4.740 -0.000 0.000 0.265 275 N C -0.598 175.075 175.510 0.272 0.000 1.138 275 N CA 0.207 53.429 53.050 0.286 0.000 0.956 275 N CB 0.924 39.574 38.487 0.272 0.000 1.067 275 N HN 0.623 nan 8.380 nan 0.000 0.474 276 T N -0.462 114.252 114.554 0.266 0.000 3.516 276 T HA 0.411 4.761 4.350 -0.000 0.000 0.245 276 T C 0.822 175.531 174.700 0.015 0.000 1.077 276 T CA -0.474 61.703 62.100 0.128 0.000 1.222 276 T CB 0.455 69.375 68.868 0.085 0.000 1.045 276 T HN 0.723 nan 8.240 nan 0.000 0.585 277 G N 2.938 111.713 108.800 -0.043 0.000 2.601 277 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.261 277 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.261 277 G C 0.385 174.903 174.900 -0.637 0.000 1.289 277 G CA 0.170 45.078 45.100 -0.320 0.000 0.920 277 G HN 0.802 nan 8.290 nan 0.000 0.571 278 E N 0.017 120.005 120.200 -0.353 0.000 2.419 278 E HA 0.293 4.643 4.350 -0.000 0.000 0.190 278 E C -0.043 176.557 176.600 -0.000 0.000 1.040 278 E CA 0.009 56.319 56.400 -0.150 0.000 0.900 278 E CB 0.348 29.982 29.700 -0.110 0.000 1.054 278 E HN 0.444 nan 8.360 nan 0.000 0.462 279 E N 1.988 122.124 120.200 -0.108 0.000 2.171 279 E HA 0.275 4.625 4.350 -0.000 0.000 0.271 279 E C -2.453 173.931 176.600 -0.360 0.000 0.916 279 E CA -2.563 53.713 56.400 -0.207 0.000 0.774 279 E CB 1.834 31.458 29.700 -0.126 0.000 1.128 279 E HN -0.026 nan 8.360 nan 0.000 0.403 280 P HA 0.081 nan 4.420 nan 0.000 0.268 280 P C -0.547 176.617 177.300 -0.228 0.000 1.541 280 P CA -0.005 62.768 63.100 -0.544 0.000 1.093 280 P CB 0.280 31.713 31.700 -0.446 0.000 1.551 281 Q N 2.711 122.430 119.800 -0.136 0.000 2.293 281 Q HA 0.162 4.501 4.340 -0.000 0.000 0.263 281 Q C -0.056 175.911 176.000 -0.056 0.000 1.002 281 Q CA -0.437 55.325 55.803 -0.068 0.000 0.910 281 Q CB 0.805 29.530 28.738 -0.021 0.000 1.185 281 Q HN 0.291 nan 8.270 nan 0.000 0.401 282 L N 1.663 122.854 121.223 -0.054 0.000 2.380 282 L HA 0.131 4.471 4.340 -0.000 0.000 0.273 282 L C 0.701 177.584 176.870 0.021 0.000 1.138 282 L CA 0.501 55.309 54.840 -0.053 0.000 0.832 282 L CB 0.946 42.980 42.059 -0.041 0.000 1.124 282 L HN 0.438 nan 8.230 nan 0.000 0.454 283 S N 1.364 117.110 115.700 0.077 0.000 2.462 283 S HA 0.363 4.833 4.470 -0.000 0.000 0.294 283 S C 0.194 174.922 174.600 0.212 0.000 1.144 283 S CA -0.600 57.691 58.200 0.151 0.000 1.088 283 S CB 0.530 63.842 63.200 0.187 0.000 1.009 283 S HN 0.685 nan 8.310 nan 0.000 0.484 284 D N 3.450 123.923 120.400 0.123 0.000 2.474 284 D HA 0.112 4.752 4.640 -0.000 0.000 0.213 284 D C 0.002 176.335 176.300 0.054 0.000 1.120 284 D CA 0.191 54.241 54.000 0.084 0.000 0.836 284 D CB 0.252 41.085 40.800 0.056 0.000 1.019 284 D HN 0.517 nan 8.370 nan 0.000 0.507 285 N N 1.393 120.132 118.700 0.065 0.000 2.279 285 N HA 0.020 4.760 4.740 -0.000 0.000 0.226 285 N C -0.859 174.688 175.510 0.062 0.000 1.126 285 N CA -0.028 53.050 53.050 0.047 0.000 0.846 285 N CB 0.523 39.035 38.487 0.040 0.000 1.050 285 N HN -0.097 nan 8.380 nan 0.000 0.502 286 D N 0.468 120.922 120.400 0.091 0.000 2.737 286 D HA -0.163 4.477 4.640 -0.000 0.000 0.243 286 D C -0.426 176.046 176.300 0.286 0.000 1.109 286 D CA 0.701 54.791 54.000 0.150 0.000 0.702 286 D CB -0.986 39.876 40.800 0.104 0.000 1.068 286 D HN 0.342 nan 8.370 nan 0.000 0.432 287 L N -0.788 120.598 121.223 0.271 0.000 2.391 287 L HA 0.636 4.976 4.340 -0.000 0.000 0.266 287 L C 0.784 177.872 176.870 0.364 0.000 1.035 287 L CA -1.098 53.910 54.840 0.280 0.000 0.877 287 L CB 0.921 43.083 42.059 0.172 0.000 1.504 287 L HN -0.097 nan 8.230 nan 0.000 0.503 288 L N -0.688 120.717 121.223 0.303 0.000 2.322 288 L HA 0.545 4.885 4.340 -0.000 0.000 0.269 288 L C -0.765 176.217 176.870 0.187 0.000 1.012 288 L CA -0.471 54.554 54.840 0.307 0.000 0.815 288 L CB 1.981 44.256 42.059 0.360 0.000 1.295 288 L HN 0.453 nan 8.230 nan 0.000 0.438 289 T N -0.107 114.526 114.554 0.132 0.000 3.009 289 T HA 0.320 4.670 4.350 -0.000 0.000 0.346 289 T C -0.243 174.509 174.700 0.086 0.000 1.092 289 T CA -0.359 61.787 62.100 0.078 0.000 1.080 289 T CB 1.231 70.090 68.868 -0.015 0.000 1.037 289 T HN 0.653 nan 8.240 nan 0.000 0.487 290 T N 2.205 116.831 114.554 0.120 0.000 2.919 290 T HA 0.760 5.110 4.350 -0.000 0.000 0.282 290 T C -0.361 174.405 174.700 0.111 0.000 1.020 290 T CA -0.840 61.322 62.100 0.103 0.000 0.994 290 T CB 0.682 69.609 68.868 0.098 0.000 1.180 290 T HN 0.420 nan 8.240 nan 0.000 0.566 291 I N 2.050 122.650 120.570 0.051 0.000 2.342 291 I HA 0.473 4.643 4.170 -0.000 0.000 0.291 291 I C 1.107 177.249 176.117 0.041 0.000 1.010 291 I CA -0.344 60.946 61.300 -0.018 0.000 1.308 291 I CB 1.323 39.279 38.000 -0.072 0.000 1.400 291 I HN 0.801 nan 8.210 nan 0.000 0.488 292 G N 4.777 113.631 108.800 0.089 0.000 2.945 292 G HA2 0.327 4.287 3.960 -0.000 0.000 0.156 292 G HA3 0.327 4.287 3.960 -0.000 0.000 0.156 292 G C -1.707 173.287 174.900 0.157 0.000 1.375 292 G CA 0.020 45.204 45.100 0.141 0.000 1.039 292 G HN 0.431 nan 8.290 nan 0.000 0.586 293 Y N -1.230 119.013 120.300 -0.094 0.000 2.544 293 Y HA 0.577 5.127 4.550 -0.000 0.000 0.342 293 Y C 0.490 176.124 175.900 -0.443 0.000 1.062 293 Y CA -0.389 57.566 58.100 -0.243 0.000 1.023 293 Y CB 1.546 39.795 38.460 -0.351 0.000 1.308 293 Y HN 0.767 nan 8.280 nan 0.000 0.457 294 G N 2.823 110.794 108.800 -1.382 0.000 3.182 294 G HA2 0.200 4.160 3.960 -0.000 0.000 0.167 294 G HA3 0.200 4.160 3.960 -0.000 0.000 0.167 294 G C 0.058 174.033 174.900 -1.542 0.000 1.537 294 G CA 0.218 44.547 45.100 -1.285 0.000 1.046 294 G HN 0.720 nan 8.290 nan 0.000 0.580 295 I N -1.328 118.498 120.570 -1.240 0.000 3.971 295 I HA 0.230 4.399 4.170 -0.000 0.000 0.303 295 I C 2.019 177.945 176.117 -0.319 0.000 1.233 295 I CA 0.076 60.918 61.300 -0.763 0.000 1.346 295 I CB 0.553 38.103 38.000 -0.751 0.000 1.273 295 I HN 0.404 nan 8.210 nan 0.000 0.448 296 N N -0.035 118.486 118.700 -0.298 0.000 2.324 296 N HA 0.206 4.946 4.740 -0.000 0.000 0.192 296 N C 0.804 176.338 175.510 0.039 0.000 1.046 296 N CA 1.028 54.035 53.050 -0.073 0.000 0.898 296 N CB 0.301 38.752 38.487 -0.059 0.000 1.079 296 N HN 0.238 nan 8.380 nan 0.000 0.456 297 G N -0.183 108.620 108.800 0.005 0.000 4.990 297 G HA2 0.130 4.090 3.960 -0.000 0.000 0.221 297 G HA3 0.130 4.090 3.960 -0.000 0.000 0.221 297 G C -0.644 174.345 174.900 0.148 0.000 0.986 297 G CA -0.424 44.787 45.100 0.185 0.000 1.002 297 G HN -0.022 nan 8.290 nan 0.000 0.531 298 K N -0.312 120.078 120.400 -0.017 0.000 2.288 298 K HA 0.775 5.095 4.320 -0.000 0.000 0.234 298 K C 0.281 176.843 176.600 -0.062 0.000 1.037 298 K CA -0.824 55.443 56.287 -0.032 0.000 0.914 298 K CB 2.122 34.567 32.500 -0.091 0.000 1.197 298 K HN -0.013 nan 8.250 nan 0.000 0.471 299 V N 0.637 120.462 119.914 -0.149 0.000 2.953 299 V HA 0.289 4.409 4.120 -0.000 0.000 0.304 299 V C -0.726 175.270 176.094 -0.164 0.000 1.073 299 V CA -0.278 61.876 62.300 -0.243 0.000 1.064 299 V CB 0.302 31.821 31.823 -0.508 0.000 1.047 299 V HN 0.599 nan 8.190 nan 0.000 0.478 300 Y N 1.092 121.158 120.300 -0.389 0.000 2.656 300 Y HA 0.613 5.163 4.550 -0.000 0.000 0.334 300 Y C -1.327 174.318 175.900 -0.426 0.000 1.179 300 Y CA -1.032 56.888 58.100 -0.300 0.000 1.050 300 Y CB 2.038 40.408 38.460 -0.150 0.000 1.308 300 Y HN 0.543 nan 8.280 nan 0.000 0.456 301 Y N 1.373 121.651 120.300 -0.036 0.000 2.468 301 Y HA 0.847 5.397 4.550 -0.000 0.000 0.342 301 Y C -0.204 175.770 175.900 0.123 0.000 1.021 301 Y CA -0.652 57.453 58.100 0.008 0.000 1.079 301 Y CB 2.177 40.581 38.460 -0.093 0.000 1.226 301 Y HN 0.635 nan 8.280 nan 0.000 0.460 302 A N 2.351 125.328 122.820 0.261 0.000 2.572 302 A HA 0.753 5.073 4.320 -0.000 0.000 0.295 302 A C -1.946 175.731 177.584 0.156 0.000 1.072 302 A CA -0.767 51.395 52.037 0.209 0.000 0.691 302 A CB 1.221 20.339 19.000 0.197 0.000 1.291 302 A HN 0.732 nan 8.150 nan 0.000 0.404 303 L N 1.347 122.650 121.223 0.134 0.000 2.275 303 L HA 0.575 4.915 4.340 -0.000 0.000 0.288 303 L C 0.191 177.130 176.870 0.116 0.000 1.046 303 L CA -0.124 54.786 54.840 0.117 0.000 0.805 303 L CB 1.475 43.592 42.059 0.097 0.000 1.193 303 L HN 0.864 nan 8.230 nan 0.000 0.426 304 E N 1.687 121.965 120.200 0.130 0.000 2.256 304 E HA 0.458 4.808 4.350 -0.000 0.000 0.268 304 E C -0.099 176.570 176.600 0.115 0.000 0.877 304 E CA -0.572 55.904 56.400 0.127 0.000 0.757 304 E CB 1.890 31.677 29.700 0.146 0.000 1.183 304 E HN 0.656 nan 8.360 nan 0.000 0.418 305 G N 1.743 110.586 108.800 0.072 0.000 2.447 305 G HA2 0.168 4.128 3.960 -0.000 0.000 0.269 305 G HA3 0.168 4.128 3.960 -0.000 0.000 0.269 305 G C 0.502 175.397 174.900 -0.008 0.000 1.455 305 G CA 0.587 45.691 45.100 0.006 0.000 1.061 305 G HN 0.628 nan 8.290 nan 0.000 0.545 306 S N -1.939 113.678 115.700 -0.138 0.000 4.163 306 S HA 0.326 4.796 4.470 -0.000 0.000 0.164 306 S C 0.722 175.109 174.600 -0.355 0.000 0.896 306 S CA -0.401 57.648 58.200 -0.252 0.000 1.125 306 S CB 0.046 62.848 63.200 -0.662 0.000 1.698 306 S HN 0.355 nan 8.310 nan 0.000 0.817 307 I N 3.653 123.941 120.570 -0.471 0.000 2.588 307 I HA 0.132 4.302 4.170 -0.000 0.000 0.283 307 I C 1.332 177.280 176.117 -0.282 0.000 1.119 307 I CA -0.183 60.844 61.300 -0.456 0.000 1.419 307 I CB 0.308 37.935 38.000 -0.621 0.000 1.394 307 I HN 0.350 nan 8.210 nan 0.000 0.562 308 F N 5.723 125.561 119.950 -0.187 0.000 2.162 308 F HA -0.301 4.226 4.527 -0.000 0.000 0.279 308 F C 1.223 177.136 175.800 0.189 0.000 1.109 308 F CA 1.239 59.349 58.000 0.183 0.000 1.357 308 F CB -1.490 37.582 39.000 0.120 0.000 0.904 308 F HN 0.180 nan 8.300 nan 0.000 0.513 309 V N -0.752 119.318 119.914 0.260 0.000 2.398 309 V HA 0.712 4.832 4.120 -0.000 0.000 0.286 309 V C 0.424 176.581 176.094 0.106 0.000 1.026 309 V CA 0.206 62.619 62.300 0.188 0.000 0.868 309 V CB 0.988 32.926 31.823 0.192 0.000 0.982 309 V HN 0.458 nan 8.190 nan 0.000 0.443 310 A N 3.848 126.739 122.820 0.118 0.000 1.546 310 A HA 0.434 4.754 4.320 -0.000 0.000 0.212 310 A C 1.714 179.372 177.584 0.122 0.000 1.754 310 A CA 0.786 52.880 52.037 0.097 0.000 1.318 310 A CB -0.456 18.586 19.000 0.070 0.000 1.228 310 A HN 0.855 nan 8.150 nan 0.000 0.426 311 G N -0.508 108.379 108.800 0.145 0.000 2.603 311 G HA2 0.190 4.150 3.960 -0.000 0.000 0.214 311 G HA3 0.190 4.150 3.960 -0.000 0.000 0.214 311 G C 1.284 176.257 174.900 0.123 0.000 1.140 311 G CA 1.425 46.606 45.100 0.135 0.000 0.800 311 G HN 0.409 nan 8.290 nan 0.000 0.533 312 S N 0.266 116.048 115.700 0.137 0.000 2.562 312 S HA 0.288 4.758 4.470 -0.000 0.000 0.221 312 S C 2.386 177.074 174.600 0.146 0.000 0.975 312 S CA 0.580 58.848 58.200 0.112 0.000 0.918 312 S CB 0.133 63.385 63.200 0.088 0.000 0.772 312 S HN 0.506 nan 8.310 nan 0.000 0.531 313 A N 0.911 123.840 122.820 0.181 0.000 1.975 313 A HA 0.206 4.526 4.320 -0.000 0.000 0.215 313 A C 1.754 179.487 177.584 0.248 0.000 1.170 313 A CA 0.556 52.747 52.037 0.257 0.000 0.656 313 A CB -0.314 18.807 19.000 0.202 0.000 0.821 313 A HN 0.514 nan 8.150 nan 0.000 0.449 314 I N -0.807 119.852 120.570 0.148 0.000 2.716 314 I HA -0.143 4.027 4.170 -0.000 0.000 0.259 314 I C 2.523 178.694 176.117 0.090 0.000 1.172 314 I CA 1.104 62.462 61.300 0.096 0.000 1.478 314 I CB -0.084 37.948 38.000 0.053 0.000 1.104 314 I HN 0.426 nan 8.210 nan 0.000 0.439 315 Q N 0.137 120.000 119.800 0.104 0.000 2.269 315 Q HA -0.200 4.140 4.340 -0.000 0.000 0.201 315 Q C 2.075 178.130 176.000 0.091 0.000 0.946 315 Q CA 0.936 56.781 55.803 0.070 0.000 0.877 315 Q CB -0.017 28.752 28.738 0.051 0.000 0.963 315 Q HN 0.597 nan 8.270 nan 0.000 0.472 316 W N 0.725 121.981 121.300 -0.073 0.000 2.436 316 W HA -0.060 4.600 4.660 -0.000 0.000 0.284 316 W C 1.088 177.574 176.519 -0.054 0.000 1.225 316 W CA 1.015 58.285 57.345 -0.125 0.000 1.271 316 W CB -0.035 29.287 29.460 -0.230 0.000 1.114 316 W HN 0.101 nan 8.180 nan 0.000 0.559 317 L N 0.292 121.496 121.223 -0.033 0.000 2.240 317 L HA -0.032 4.308 4.340 -0.000 0.000 0.211 317 L C 2.823 179.613 176.870 -0.132 0.000 1.106 317 L CA 0.871 55.621 54.840 -0.150 0.000 0.793 317 L CB -0.793 41.266 42.059 -0.000 0.000 0.927 317 L HN -0.082 nan 8.230 nan 0.000 0.446 318 R N 0.255 120.710 120.500 -0.075 0.000 2.052 318 R HA -0.081 4.258 4.340 -0.000 0.000 0.224 318 R C 1.577 177.829 176.300 -0.079 0.000 1.149 318 R CA 1.451 57.515 56.100 -0.060 0.000 0.962 318 R CB 0.006 30.291 30.300 -0.025 0.000 0.856 318 R HN 0.307 nan 8.270 nan 0.000 0.433 319 D N -1.030 119.322 120.400 -0.079 0.000 2.154 319 D HA -0.036 4.604 4.640 -0.000 0.000 0.211 319 D C 1.665 177.900 176.300 -0.109 0.000 0.977 319 D CA 1.483 55.439 54.000 -0.073 0.000 0.869 319 D CB -0.410 40.364 40.800 -0.043 0.000 1.022 319 D HN 0.409 nan 8.370 nan 0.000 0.461 320 G N -0.024 108.680 108.800 -0.160 0.000 2.551 320 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.216 320 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.216 320 G C 1.440 176.171 174.900 -0.282 0.000 1.137 320 G CA 0.154 45.140 45.100 -0.190 0.000 0.798 320 G HN 0.095 nan 8.290 nan 0.000 0.536 321 L N -1.029 119.965 121.223 -0.381 0.000 2.672 321 L HA 0.417 4.757 4.340 -0.000 0.000 0.236 321 L C 1.127 177.864 176.870 -0.221 0.000 1.092 321 L CA -0.058 54.561 54.840 -0.368 0.000 0.887 321 L CB 0.194 41.902 42.059 -0.585 0.000 1.168 321 L HN 0.139 nan 8.230 nan 0.000 0.502 322 R N -1.152 119.245 120.500 -0.172 0.000 3.333 322 R HA -0.229 4.110 4.340 -0.000 0.000 0.256 322 R C 0.845 177.090 176.300 -0.091 0.000 1.010 322 R CA 0.500 56.535 56.100 -0.109 0.000 0.680 322 R CB -1.585 28.661 30.300 -0.090 0.000 1.102 322 R HN 0.252 nan 8.270 nan 0.000 0.440 323 M N -0.542 119.004 119.600 -0.090 0.000 2.556 323 M HA 0.091 4.571 4.480 -0.000 0.000 0.259 323 M C 2.102 178.384 176.300 -0.030 0.000 1.175 323 M CA 1.566 56.834 55.300 -0.053 0.000 1.202 323 M CB -0.080 32.504 32.600 -0.027 0.000 1.298 323 M HN 0.438 nan 8.290 nan 0.000 0.492 324 I N -3.606 116.947 120.570 -0.029 0.000 4.057 324 I HA 0.184 4.353 4.170 -0.000 0.000 0.334 324 I C 0.679 176.784 176.117 -0.019 0.000 1.308 324 I CA 0.140 61.429 61.300 -0.018 0.000 1.125 324 I CB 0.235 38.229 38.000 -0.011 0.000 1.034 324 I HN 0.164 nan 8.210 nan 0.000 0.401 325 E N 1.152 121.337 120.200 -0.026 0.000 5.171 325 E HA -0.210 4.140 4.350 -0.000 0.000 0.184 325 E C 0.119 176.710 176.600 -0.016 0.000 1.101 325 E CA 2.192 58.579 56.400 -0.022 0.000 2.026 325 E CB -1.343 28.346 29.700 -0.018 0.000 1.810 325 E HN 0.681 nan 8.360 nan 0.000 0.414 326 T N -1.236 113.311 114.554 -0.011 0.000 2.883 326 T HA 0.454 4.804 4.350 -0.000 0.000 0.301 326 T C 0.792 175.490 174.700 -0.003 0.000 1.158 326 T CA -0.007 62.090 62.100 -0.005 0.000 1.007 326 T CB 1.918 70.784 68.868 -0.003 0.000 1.186 326 T HN -0.096 nan 8.240 nan 0.000 0.499 327 S N 1.371 117.072 115.700 0.002 0.000 2.368 327 S HA -0.017 4.453 4.470 -0.000 0.000 0.224 327 S C -0.800 173.800 174.600 -0.000 0.000 1.029 327 S CA 1.120 59.323 58.200 0.005 0.000 0.988 327 S CB -0.861 62.347 63.200 0.013 0.000 0.838 327 S HN 0.525 nan 8.310 nan 0.000 0.462 328 P HA -0.008 nan 4.420 nan 0.000 0.225 328 P C 1.165 178.459 177.300 -0.010 0.000 1.148 328 P CA 0.921 64.019 63.100 -0.004 0.000 0.779 328 P CB -0.054 31.646 31.700 0.001 0.000 0.780 329 Q N -1.178 118.617 119.800 -0.009 0.000 2.482 329 Q HA -0.034 4.306 4.340 -0.000 0.000 0.209 329 Q C 1.787 177.777 176.000 -0.016 0.000 0.961 329 Q CA 1.029 56.825 55.803 -0.011 0.000 0.945 329 Q CB -0.222 28.510 28.738 -0.009 0.000 1.012 329 Q HN 0.383 nan 8.270 nan 0.000 0.515 330 S N -0.200 115.487 115.700 -0.021 0.000 2.461 330 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 330 S C 1.716 176.288 174.600 -0.047 0.000 1.005 330 S CA 0.611 58.792 58.200 -0.031 0.000 0.942 330 S CB 0.013 63.194 63.200 -0.031 0.000 0.776 330 S HN 0.354 nan 8.310 nan 0.000 0.514 331 E N 1.044 121.217 120.200 -0.044 0.000 2.107 331 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 331 E C 1.912 178.489 176.600 -0.038 0.000 0.982 331 E CA 0.870 57.241 56.400 -0.049 0.000 0.809 331 E CB 0.012 29.689 29.700 -0.039 0.000 0.756 331 E HN 0.502 nan 8.360 nan 0.000 0.459 332 E N 0.161 120.345 120.200 -0.026 0.000 2.076 332 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 332 E C 1.611 178.199 176.600 -0.021 0.000 0.979 332 E CA 0.564 56.953 56.400 -0.019 0.000 0.807 332 E CB 0.101 29.794 29.700 -0.012 0.000 0.761 332 E HN 0.222 nan 8.360 nan 0.000 0.454 333 L N 0.031 121.241 121.223 -0.022 0.000 2.645 333 L HA 0.086 4.426 4.340 -0.000 0.000 0.234 333 L C 1.400 178.252 176.870 -0.030 0.000 1.165 333 L CA 0.295 55.124 54.840 -0.019 0.000 0.944 333 L CB 0.041 42.095 42.059 -0.009 0.000 1.149 333 L HN -0.017 nan 8.230 nan 0.000 0.446 334 A N -1.193 121.599 122.820 -0.047 0.000 2.138 334 A HA 0.491 4.811 4.320 -0.000 0.000 0.203 334 A C 2.028 179.572 177.584 -0.066 0.000 1.286 334 A CA 0.608 52.601 52.037 -0.073 0.000 0.929 334 A CB 0.018 18.954 19.000 -0.107 0.000 0.975 334 A HN 0.202 nan 8.150 nan 0.000 0.480 335 A N -0.040 122.754 122.820 -0.044 0.000 2.278 335 A HA 0.237 4.557 4.320 -0.000 0.000 0.212 335 A C 1.505 179.078 177.584 -0.018 0.000 1.213 335 A CA 0.625 52.645 52.037 -0.029 0.000 0.840 335 A CB -0.266 18.723 19.000 -0.018 0.000 0.866 335 A HN 0.415 nan 8.150 nan 0.000 0.489 336 K N -0.828 119.560 120.400 -0.020 0.000 2.352 336 K HA 0.278 4.597 4.320 -0.000 0.000 0.194 336 K C 1.573 178.167 176.600 -0.010 0.000 1.038 336 K CA 0.725 57.005 56.287 -0.012 0.000 1.023 336 K CB 0.312 32.807 32.500 -0.009 0.000 0.840 336 K HN 0.342 nan 8.250 nan 0.000 0.519 337 A N 0.908 123.717 122.820 -0.018 0.000 2.197 337 A HA 0.105 4.425 4.320 -0.000 0.000 0.210 337 A C 0.714 178.289 177.584 -0.014 0.000 1.180 337 A CA 0.288 52.316 52.037 -0.015 0.000 0.846 337 A CB 0.136 19.123 19.000 -0.020 0.000 0.884 337 A HN 0.203 nan 8.150 nan 0.000 0.487 338 K N -2.489 117.900 120.400 -0.018 0.000 3.507 338 K HA -0.222 4.098 4.320 -0.000 0.000 0.287 338 K C 0.772 177.367 176.600 -0.008 0.000 0.922 338 K CA 1.382 57.665 56.287 -0.006 0.000 1.216 338 K CB -1.629 30.875 32.500 0.008 0.000 1.428 338 K HN 0.849 nan 8.250 nan 0.000 0.453 339 G N -1.002 107.784 108.800 -0.022 0.000 2.721 339 G HA2 0.398 4.358 3.960 -0.000 0.000 0.296 339 G HA3 0.398 4.358 3.960 -0.000 0.000 0.296 339 G C -0.816 174.047 174.900 -0.060 0.000 1.383 339 G CA -0.185 44.898 45.100 -0.028 0.000 0.788 339 G HN -0.040 nan 8.290 nan 0.000 0.500 340 D N -0.497 119.854 120.400 -0.081 0.000 2.366 340 D HA 0.032 4.672 4.640 -0.000 0.000 0.205 340 D C 0.728 176.983 176.300 -0.075 0.000 1.022 340 D CA 0.152 54.085 54.000 -0.111 0.000 0.868 340 D CB 0.239 40.912 40.800 -0.213 0.000 0.953 340 D HN 0.366 nan 8.370 nan 0.000 0.514 341 N N 1.828 120.500 118.700 -0.046 0.000 2.727 341 N HA -0.215 4.525 4.740 -0.000 0.000 0.251 341 N C -0.567 174.936 175.510 -0.012 0.000 1.040 341 N CA 0.606 53.649 53.050 -0.012 0.000 0.712 341 N CB -0.777 37.712 38.487 0.004 0.000 0.912 341 N HN 0.047 nan 8.380 nan 0.000 0.545 342 E N -3.334 116.843 120.200 -0.039 0.000 3.170 342 E HA -0.220 4.130 4.350 -0.000 0.000 0.284 342 E C -0.585 175.995 176.600 -0.034 0.000 0.967 342 E CA 1.204 57.602 56.400 -0.003 0.000 0.919 342 E CB -1.766 27.987 29.700 0.088 0.000 1.469 342 E HN 0.401 nan 8.360 nan 0.000 0.444 343 V N 1.207 121.034 119.914 -0.145 0.000 2.407 343 V HA 0.356 4.476 4.120 -0.000 0.000 0.278 343 V C -0.143 175.840 176.094 -0.185 0.000 1.037 343 V CA -0.225 62.054 62.300 -0.036 0.000 0.900 343 V CB 0.576 32.431 31.823 0.053 0.000 0.983 343 V HN 0.049 nan 8.190 nan 0.000 0.459 344 Y N 2.901 123.351 120.300 0.249 0.000 2.338 344 Y HA 0.575 5.125 4.550 -0.000 0.000 0.333 344 Y C -0.107 175.993 175.900 0.334 0.000 0.968 344 Y CA -0.828 57.455 58.100 0.305 0.000 1.123 344 Y CB 2.137 40.780 38.460 0.306 0.000 1.165 344 Y HN 0.372 nan 8.280 nan 0.000 0.452 345 V N 4.691 124.852 119.914 0.412 0.000 2.394 345 V HA 0.371 4.491 4.120 -0.000 0.000 0.282 345 V C -0.390 175.918 176.094 0.356 0.000 1.031 345 V CA -0.923 61.550 62.300 0.287 0.000 0.881 345 V CB 1.495 33.359 31.823 0.068 0.000 0.982 345 V HN 0.511 nan 8.190 nan 0.000 0.451 346 V N 7.313 127.371 119.914 0.239 0.000 2.288 346 V HA 0.266 4.386 4.120 -0.000 0.000 0.266 346 V C -1.936 174.046 176.094 -0.187 0.000 1.048 346 V CA -1.452 60.934 62.300 0.144 0.000 0.842 346 V CB 1.225 33.057 31.823 0.015 0.000 1.064 346 V HN 0.710 nan 8.190 nan 0.000 0.472 347 P HA 0.062 nan 4.420 nan 0.000 0.290 347 P C 0.702 177.588 177.300 -0.689 0.000 1.584 347 P CA 0.471 63.176 63.100 -0.657 0.000 0.813 347 P CB -0.047 31.528 31.700 -0.208 0.000 1.775 348 A N -0.791 121.666 122.820 -0.605 0.000 3.105 348 A HA 0.175 4.495 4.320 -0.000 0.000 0.272 348 A C 1.136 178.564 177.584 -0.260 0.000 1.466 348 A CA -0.374 51.474 52.037 -0.315 0.000 1.101 348 A CB -1.434 17.454 19.000 -0.186 0.000 1.065 348 A HN 0.183 nan 8.150 nan 0.000 0.643 349 F N 0.423 120.317 119.950 -0.093 0.000 2.202 349 F HA -0.122 4.405 4.527 -0.000 0.000 0.301 349 F C 1.825 177.603 175.800 -0.037 0.000 1.082 349 F CA 1.554 59.468 58.000 -0.143 0.000 1.313 349 F CB 0.040 38.840 39.000 -0.335 0.000 1.024 349 F HN 0.406 nan 8.300 nan 0.000 0.495 350 T N -1.612 113.060 114.554 0.197 0.000 3.630 350 T HA 0.634 4.984 4.350 -0.000 0.000 0.238 350 T C 0.174 175.076 174.700 0.336 0.000 1.195 350 T CA -0.194 62.042 62.100 0.227 0.000 1.433 350 T CB 0.180 69.130 68.868 0.137 0.000 0.940 350 T HN 0.546 nan 8.240 nan 0.000 0.641 351 G N 1.322 110.276 108.800 0.257 0.000 2.757 351 G HA2 0.092 4.052 3.960 -0.000 0.000 0.638 351 G HA3 0.092 4.052 3.960 -0.000 0.000 0.638 351 G C -0.530 174.445 174.900 0.126 0.000 1.344 351 G CA -0.352 44.903 45.100 0.259 0.000 0.855 351 G HN 1.061 nan 8.290 nan 0.000 0.537 352 L N 1.807 123.021 121.223 -0.015 0.000 3.347 352 L HA 0.587 4.927 4.340 -0.000 0.000 0.306 352 L C 1.819 178.503 176.870 -0.310 0.000 1.301 352 L CA 1.247 55.985 54.840 -0.170 0.000 0.985 352 L CB -0.304 41.683 42.059 -0.120 0.000 1.400 352 L HN 2.239 nan 8.230 nan 0.000 0.601 353 G N 1.673 109.972 108.800 -0.835 0.000 3.107 353 G HA2 -0.013 3.946 3.960 -0.000 0.000 0.960 353 G HA3 -0.013 3.946 3.960 -0.000 0.000 0.960 353 G C 0.905 175.517 174.900 -0.479 0.000 1.029 353 G CA 1.457 45.959 45.100 -0.997 0.000 0.787 353 G HN 1.782 nan 8.290 nan 0.000 1.039 354 A N -2.527 119.839 122.820 -0.757 0.000 5.818 354 A HA -0.077 4.243 4.320 -0.000 0.000 0.265 354 A C -0.833 176.614 177.584 -0.228 0.000 2.155 354 A CA 1.822 53.629 52.037 -0.383 0.000 0.711 354 A CB -1.641 17.320 19.000 -0.065 0.000 1.085 354 A HN 0.765 nan 8.150 nan 0.000 0.357 355 P HA 0.085 nan 4.420 nan 0.000 0.233 355 P C 0.828 178.147 177.300 0.033 0.000 1.167 355 P CA 1.817 64.858 63.100 -0.099 0.000 0.770 355 P CB -0.172 31.293 31.700 -0.392 0.000 0.837 356 Y N -1.653 118.838 120.300 0.319 0.000 2.301 356 Y HA 0.048 4.598 4.550 -0.000 0.000 0.295 356 Y C 1.155 177.140 175.900 0.142 0.000 1.126 356 Y CA -0.673 57.527 58.100 0.166 0.000 1.154 356 Y CB -1.711 36.777 38.460 0.048 0.000 1.075 356 Y HN -0.060 nan 8.280 nan 0.000 0.534 357 W N 4.795 126.152 121.300 0.095 0.000 2.556 357 W HA -0.124 4.536 4.660 -0.000 0.000 0.317 357 W C -0.763 175.791 176.519 0.058 0.000 0.777 357 W CA -0.224 57.127 57.345 0.011 0.000 0.810 357 W CB -0.609 28.788 29.460 -0.105 0.000 0.989 357 W HN 0.391 nan 8.180 nan 0.000 0.516 358 D N 1.632 122.125 120.400 0.156 0.000 2.707 358 D HA 0.572 5.211 4.640 -0.000 0.000 0.223 358 D C 0.064 176.463 176.300 0.164 0.000 1.208 358 D CA -0.466 53.583 54.000 0.082 0.000 1.081 358 D CB 0.358 41.188 40.800 0.050 0.000 1.216 358 D HN 0.147 nan 8.370 nan 0.000 0.633 359 S N -2.013 113.766 115.700 0.132 0.000 2.615 359 S HA 0.089 4.559 4.470 -0.000 0.000 0.277 359 S C 0.438 175.131 174.600 0.154 0.000 1.068 359 S CA -0.345 57.959 58.200 0.173 0.000 1.315 359 S CB 0.606 63.893 63.200 0.145 0.000 1.193 359 S HN 0.410 nan 8.310 nan 0.000 0.656 360 E N 1.546 121.813 120.200 0.111 0.000 2.498 360 E HA 0.322 4.672 4.350 -0.000 0.000 0.203 360 E C 0.379 177.030 176.600 0.083 0.000 1.013 360 E CA -0.070 56.394 56.400 0.107 0.000 0.927 360 E CB 0.836 30.584 29.700 0.081 0.000 1.012 360 E HN 0.400 nan 8.360 nan 0.000 0.482 361 A N 2.301 125.161 122.820 0.067 0.000 2.492 361 A HA 0.189 4.509 4.320 -0.000 0.000 0.254 361 A C 0.353 177.956 177.584 0.031 0.000 1.091 361 A CA 0.028 52.080 52.037 0.026 0.000 0.768 361 A CB 0.274 19.265 19.000 -0.015 0.000 1.028 361 A HN -0.054 nan 8.150 nan 0.000 0.498 362 R N 1.656 122.166 120.500 0.016 0.000 2.758 362 R HA 0.518 4.858 4.340 -0.000 0.000 0.265 362 R C 0.483 176.747 176.300 -0.062 0.000 1.016 362 R CA -0.334 55.776 56.100 0.016 0.000 1.040 362 R CB 1.289 31.620 30.300 0.052 0.000 1.152 362 R HN 0.787 nan 8.270 nan 0.000 0.503 363 G N 0.041 108.769 108.800 -0.121 0.000 2.360 363 G HA2 0.478 4.438 3.960 -0.000 0.000 0.279 363 G HA3 0.478 4.438 3.960 -0.000 0.000 0.279 363 G C -0.713 174.128 174.900 -0.099 0.000 1.189 363 G CA -0.086 44.822 45.100 -0.320 0.000 0.941 363 G HN 0.577 nan 8.290 nan 0.000 0.445 364 A N 2.113 124.879 122.820 -0.089 0.000 2.454 364 A HA 0.769 5.089 4.320 -0.000 0.000 0.302 364 A C -0.708 176.799 177.584 -0.128 0.000 1.079 364 A CA -0.569 51.387 52.037 -0.136 0.000 0.731 364 A CB 1.985 20.797 19.000 -0.313 0.000 1.299 364 A HN 0.954 nan 8.150 nan 0.000 0.413 365 V N 1.339 121.160 119.914 -0.156 0.000 2.370 365 V HA 0.512 4.631 4.120 -0.000 0.000 0.283 365 V C -0.938 175.031 176.094 -0.209 0.000 1.023 365 V CA -0.144 62.167 62.300 0.019 0.000 0.857 365 V CB 0.283 32.252 31.823 0.242 0.000 0.985 365 V HN 0.645 nan 8.190 nan 0.000 0.443 366 F N 1.708 121.754 119.950 0.160 0.000 2.458 366 F HA 0.724 5.251 4.527 -0.000 0.000 0.330 366 F C 1.094 176.991 175.800 0.162 0.000 1.082 366 F CA 0.022 58.103 58.000 0.135 0.000 0.995 366 F CB 1.879 40.945 39.000 0.110 0.000 1.170 366 F HN 0.740 nan 8.300 nan 0.000 0.478 367 G N 2.566 111.547 108.800 0.302 0.000 2.248 367 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.263 367 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.263 367 G C -0.512 174.472 174.900 0.139 0.000 1.082 367 G CA -0.604 44.624 45.100 0.213 0.000 0.863 367 G HN 0.562 nan 8.290 nan 0.000 0.495 368 L N 0.080 121.365 121.223 0.104 0.000 2.417 368 L HA 0.678 5.018 4.340 -0.000 0.000 0.268 368 L C 0.799 177.698 176.870 0.048 0.000 1.158 368 L CA 0.139 55.020 54.840 0.069 0.000 0.819 368 L CB 1.364 43.445 42.059 0.037 0.000 1.112 368 L HN 0.271 nan 8.230 nan 0.000 0.458 369 T N 0.941 115.516 114.554 0.035 0.000 2.853 369 T HA 0.237 4.587 4.350 -0.000 0.000 0.311 369 T C 0.502 175.207 174.700 0.009 0.000 1.307 369 T CA -0.714 61.400 62.100 0.024 0.000 1.019 369 T CB 2.296 71.181 68.868 0.030 0.000 1.264 369 T HN 0.518 nan 8.240 nan 0.000 0.497 370 R N 0.705 121.206 120.500 0.003 0.000 2.153 370 R HA 0.054 4.394 4.340 -0.000 0.000 0.218 370 R C 2.139 178.436 176.300 -0.004 0.000 1.072 370 R CA 1.136 57.232 56.100 -0.007 0.000 0.990 370 R CB -0.478 29.817 30.300 -0.008 0.000 0.889 370 R HN 0.781 nan 8.270 nan 0.000 0.452 371 G N -0.366 108.436 108.800 0.004 0.000 2.679 371 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.212 371 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.212 371 G C 0.230 175.136 174.900 0.009 0.000 1.137 371 G CA 0.226 45.329 45.100 0.005 0.000 0.787 371 G HN 0.162 nan 8.290 nan 0.000 0.534 372 T N 2.429 116.991 114.554 0.013 0.000 2.775 372 T HA 0.357 4.707 4.350 -0.000 0.000 0.287 372 T C 0.653 175.362 174.700 0.015 0.000 0.909 372 T CA -0.089 62.025 62.100 0.023 0.000 1.081 372 T CB 0.673 69.566 68.868 0.040 0.000 0.891 372 T HN 0.123 nan 8.240 nan 0.000 0.544 373 T N 2.715 117.279 114.554 0.017 0.000 2.732 373 T HA 0.179 4.529 4.350 -0.000 0.000 0.287 373 T C 1.620 176.337 174.700 0.030 0.000 0.993 373 T CA -0.870 61.236 62.100 0.009 0.000 0.966 373 T CB 0.803 69.675 68.868 0.007 0.000 1.047 373 T HN 0.420 nan 8.240 nan 0.000 0.527 374 K N 0.465 120.877 120.400 0.020 0.000 2.442 374 K HA -0.075 4.245 4.320 -0.000 0.000 0.198 374 K C 1.904 178.558 176.600 0.091 0.000 1.042 374 K CA 0.782 57.100 56.287 0.051 0.000 0.958 374 K CB 0.074 32.583 32.500 0.015 0.000 0.766 374 K HN 0.461 nan 8.250 nan 0.000 0.474 375 E N 0.925 121.158 120.200 0.055 0.000 2.170 375 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 375 E C 1.179 177.801 176.600 0.036 0.000 0.981 375 E CA 0.888 57.309 56.400 0.035 0.000 0.830 375 E CB -0.053 29.653 29.700 0.011 0.000 0.775 375 E HN 0.371 nan 8.360 nan 0.000 0.470 376 D N -0.128 120.307 120.400 0.057 0.000 2.317 376 D HA -0.059 4.581 4.640 -0.000 0.000 0.211 376 D C 1.461 177.820 176.300 0.098 0.000 0.966 376 D CA 0.310 54.337 54.000 0.045 0.000 0.876 376 D CB -0.000 40.825 40.800 0.043 0.000 0.927 376 D HN 0.084 nan 8.370 nan 0.000 0.519 377 F N 1.356 121.304 119.950 -0.004 0.000 2.262 377 F HA -0.064 4.463 4.527 -0.000 0.000 0.292 377 F C 2.111 177.934 175.800 0.038 0.000 1.081 377 F CA 0.568 58.586 58.000 0.031 0.000 1.355 377 F CB -0.164 38.858 39.000 0.037 0.000 1.069 377 F HN -0.291 nan 8.300 nan 0.000 0.506 378 V N 0.963 120.903 119.914 0.044 0.000 2.515 378 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 378 V C 2.561 178.591 176.094 -0.107 0.000 1.058 378 V CA 1.993 64.267 62.300 -0.044 0.000 1.064 378 V CB -0.702 31.133 31.823 0.020 0.000 0.675 378 V HN 0.275 nan 8.190 nan 0.000 0.461 379 R N 0.390 120.826 120.500 -0.106 0.000 2.062 379 R HA -0.052 4.288 4.340 -0.000 0.000 0.229 379 R C 2.204 178.373 176.300 -0.219 0.000 1.128 379 R CA 1.384 57.384 56.100 -0.167 0.000 0.960 379 R CB -0.380 29.824 30.300 -0.160 0.000 0.855 379 R HN 0.457 nan 8.270 nan 0.000 0.432 380 A N -0.162 122.551 122.820 -0.180 0.000 2.225 380 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 380 A C 1.678 179.179 177.584 -0.139 0.000 1.164 380 A CA 1.577 53.524 52.037 -0.150 0.000 0.710 380 A CB -0.307 18.643 19.000 -0.083 0.000 0.780 380 A HN 0.437 nan 8.150 nan 0.000 0.473 381 T N -0.511 113.930 114.554 -0.188 0.000 3.044 381 T HA 0.160 4.510 4.350 -0.000 0.000 0.255 381 T C 1.615 176.247 174.700 -0.113 0.000 1.073 381 T CA 0.657 62.676 62.100 -0.133 0.000 1.125 381 T CB -0.088 68.702 68.868 -0.130 0.000 0.908 381 T HN 0.371 nan 8.240 nan 0.000 0.480 382 L N 0.731 121.853 121.223 -0.169 0.000 2.249 382 L HA 0.071 4.411 4.340 -0.000 0.000 0.207 382 L C 2.713 179.412 176.870 -0.285 0.000 1.090 382 L CA 0.593 55.318 54.840 -0.193 0.000 0.802 382 L CB -0.302 41.633 42.059 -0.205 0.000 0.947 382 L HN 0.129 nan 8.230 nan 0.000 0.453 383 Q N 0.137 119.693 119.800 -0.406 0.000 2.245 383 Q HA -0.019 4.321 4.340 -0.000 0.000 0.201 383 Q C 2.302 177.915 176.000 -0.644 0.000 0.955 383 Q CA 1.278 56.687 55.803 -0.657 0.000 0.870 383 Q CB -0.204 28.015 28.738 -0.865 0.000 0.945 383 Q HN 0.448 nan 8.270 nan 0.000 0.461 384 A N 0.677 123.303 122.820 -0.322 0.000 2.067 384 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 384 A C 2.302 179.740 177.584 -0.244 0.000 1.158 384 A CA 0.890 52.777 52.037 -0.250 0.000 0.661 384 A CB -0.267 18.714 19.000 -0.033 0.000 0.801 384 A HN 0.184 nan 8.150 nan 0.000 0.452 385 V N -0.697 119.116 119.914 -0.169 0.000 2.488 385 V HA -0.100 4.020 4.120 -0.000 0.000 0.246 385 V C 2.870 178.938 176.094 -0.045 0.000 1.046 385 V CA 1.628 63.892 62.300 -0.059 0.000 1.053 385 V CB -0.880 30.938 31.823 -0.008 0.000 0.679 385 V HN 0.549 nan 8.190 nan 0.000 0.458 386 A N -1.381 121.353 122.820 -0.144 0.000 2.016 386 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 386 A C 2.018 179.530 177.584 -0.120 0.000 1.162 386 A CA 1.005 52.980 52.037 -0.104 0.000 0.662 386 A CB -0.481 18.483 19.000 -0.060 0.000 0.812 386 A HN 0.519 nan 8.150 nan 0.000 0.450 387 Y N -0.063 120.083 120.300 -0.257 0.000 2.337 387 Y HA -0.049 4.501 4.550 -0.000 0.000 0.293 387 Y C 2.508 178.201 175.900 -0.345 0.000 1.123 387 Y CA 1.053 58.861 58.100 -0.487 0.000 1.201 387 Y CB -0.626 37.083 38.460 -1.252 0.000 1.011 387 Y HN 0.413 nan 8.280 nan 0.000 0.545 388 Q N -0.901 118.836 119.800 -0.104 0.000 2.172 388 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 388 Q C 2.239 178.271 176.000 0.053 0.000 0.964 388 Q CA 1.393 57.249 55.803 0.088 0.000 0.855 388 Q CB -0.054 28.721 28.738 0.062 0.000 0.918 388 Q HN 0.294 nan 8.270 nan 0.000 0.444 389 S N 0.452 116.157 115.700 0.008 0.000 2.428 389 S HA -0.061 4.409 4.470 -0.000 0.000 0.230 389 S C 1.539 176.135 174.600 -0.007 0.000 1.014 389 S CA 0.769 58.963 58.200 -0.010 0.000 0.957 389 S CB 0.059 63.278 63.200 0.031 0.000 0.784 389 S HN 0.264 nan 8.310 nan 0.000 0.499 390 K N 1.070 121.469 120.400 -0.002 0.000 2.103 390 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 390 K C 1.321 177.945 176.600 0.040 0.000 1.052 390 K CA 1.139 57.391 56.287 -0.058 0.000 0.945 390 K CB -0.168 32.195 32.500 -0.228 0.000 0.722 390 K HN 0.252 nan 8.250 nan 0.000 0.443 391 D N 0.516 121.020 120.400 0.173 0.000 2.218 391 D HA -0.122 4.518 4.640 -0.000 0.000 0.204 391 D C 1.690 178.013 176.300 0.038 0.000 0.976 391 D CA 1.251 55.364 54.000 0.188 0.000 0.853 391 D CB 0.168 41.123 40.800 0.260 0.000 0.939 391 D HN 0.156 nan 8.370 nan 0.000 0.481 392 V N -2.074 117.847 119.914 0.012 0.000 3.643 392 V HA 0.222 4.342 4.120 -0.000 0.000 0.280 392 V C 2.024 178.115 176.094 -0.004 0.000 1.351 392 V CA -0.024 62.266 62.300 -0.016 0.000 1.073 392 V CB 0.038 31.834 31.823 -0.046 0.000 0.863 392 V HN -0.015 nan 8.190 nan 0.000 0.436 393 I N 0.565 121.133 120.570 -0.004 0.000 2.494 393 I HA -0.012 4.158 4.170 -0.000 0.000 0.250 393 I C 2.116 178.233 176.117 -0.000 0.000 1.112 393 I CA 1.180 62.476 61.300 -0.007 0.000 1.438 393 I CB 0.043 38.030 38.000 -0.022 0.000 1.111 393 I HN 0.221 nan 8.210 nan 0.000 0.431 394 D N 0.068 120.469 120.400 0.002 0.000 2.312 394 D HA -0.085 4.554 4.640 -0.000 0.000 0.211 394 D C 1.830 178.146 176.300 0.025 0.000 0.964 394 D CA 1.143 55.151 54.000 0.014 0.000 0.877 394 D CB 0.186 41.004 40.800 0.031 0.000 0.924 394 D HN 0.310 nan 8.370 nan 0.000 0.515 395 T N 0.524 115.092 114.554 0.023 0.000 3.035 395 T HA -0.027 4.323 4.350 -0.000 0.000 0.259 395 T C 1.776 176.494 174.700 0.030 0.000 1.078 395 T CA 0.259 62.373 62.100 0.023 0.000 1.132 395 T CB 0.186 69.060 68.868 0.009 0.000 0.900 395 T HN -0.017 nan 8.240 nan 0.000 0.480 396 M N 1.192 120.808 119.600 0.027 0.000 2.288 396 M HA 0.181 4.661 4.480 -0.000 0.000 0.266 396 M C 1.812 178.130 176.300 0.030 0.000 1.072 396 M CA 1.457 56.776 55.300 0.033 0.000 1.132 396 M CB -0.168 32.449 32.600 0.029 0.000 1.386 396 M HN -0.065 nan 8.290 nan 0.000 0.432 397 K N -0.606 119.808 120.400 0.023 0.000 2.155 397 K HA -0.066 4.254 4.320 -0.000 0.000 0.203 397 K C 1.722 178.335 176.600 0.022 0.000 1.052 397 K CA 0.981 57.280 56.287 0.020 0.000 0.948 397 K CB 0.032 32.540 32.500 0.014 0.000 0.728 397 K HN 0.330 nan 8.250 nan 0.000 0.448 398 K N 0.416 120.831 120.400 0.025 0.000 2.365 398 K HA -0.032 4.288 4.320 -0.000 0.000 0.197 398 K C 1.112 177.728 176.600 0.028 0.000 1.042 398 K CA 0.716 57.018 56.287 0.025 0.000 0.987 398 K CB 0.295 32.810 32.500 0.026 0.000 0.779 398 K HN 0.101 nan 8.250 nan 0.000 0.484 399 D N -0.101 120.319 120.400 0.034 0.000 2.216 399 D HA -0.049 4.591 4.640 -0.000 0.000 0.208 399 D C 1.940 178.258 176.300 0.031 0.000 0.960 399 D CA 1.230 55.253 54.000 0.038 0.000 0.861 399 D CB 0.374 41.204 40.800 0.051 0.000 0.985 399 D HN 0.142 nan 8.370 nan 0.000 0.493 400 S N -1.087 114.632 115.700 0.031 0.000 2.468 400 S HA 0.281 4.751 4.470 -0.000 0.000 0.226 400 S C 1.821 176.434 174.600 0.021 0.000 1.051 400 S CA 0.886 59.102 58.200 0.027 0.000 0.943 400 S CB 1.014 64.235 63.200 0.035 0.000 0.810 400 S HN 0.255 nan 8.310 nan 0.000 0.509 401 G N 1.203 110.015 108.800 0.021 0.000 2.176 401 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.232 401 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.232 401 G C -0.042 174.867 174.900 0.015 0.000 0.986 401 G CA 0.052 45.162 45.100 0.016 0.000 0.643 401 G HN 0.563 nan 8.290 nan 0.000 0.522 402 I N 1.876 122.457 120.570 0.018 0.000 2.336 402 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 402 I C -0.543 175.583 176.117 0.015 0.000 0.991 402 I CA -0.748 60.562 61.300 0.017 0.000 1.227 402 I CB 1.154 39.166 38.000 0.021 0.000 1.366 402 I HN -0.037 nan 8.210 nan 0.000 0.466 403 D N 7.420 127.827 120.400 0.011 0.000 2.264 403 D HA 0.348 4.988 4.640 -0.000 0.000 0.250 403 D C 0.006 176.310 176.300 0.008 0.000 1.113 403 D CA -0.167 53.838 54.000 0.008 0.000 0.871 403 D CB 2.112 42.915 40.800 0.005 0.000 1.167 403 D HN 0.325 nan 8.370 nan 0.000 0.447 404 I N 3.547 124.121 120.570 0.007 0.000 2.379 404 I HA 0.096 4.266 4.170 -0.000 0.000 0.290 404 I C -1.504 174.616 176.117 0.006 0.000 1.063 404 I CA -1.481 59.824 61.300 0.008 0.000 1.351 404 I CB 0.795 38.801 38.000 0.009 0.000 1.410 404 I HN 0.093 nan 8.210 nan 0.000 0.505 405 P HA 0.106 nan 4.420 nan 0.000 0.215 405 P C -0.138 177.168 177.300 0.009 0.000 1.157 405 P CA 0.943 64.046 63.100 0.006 0.000 0.869 405 P CB 0.331 32.034 31.700 0.005 0.000 0.781 406 L N -0.313 120.918 121.223 0.013 0.000 2.372 406 L HA 0.326 4.666 4.340 -0.000 0.000 0.274 406 L C -0.464 176.422 176.870 0.027 0.000 0.988 406 L CA -0.269 54.584 54.840 0.021 0.000 0.833 406 L CB 1.843 43.915 42.059 0.021 0.000 1.236 406 L HN -0.106 nan 8.230 nan 0.000 0.410 407 L N 4.323 125.567 121.223 0.035 0.000 2.260 407 L HA 0.434 4.773 4.340 -0.000 0.000 0.289 407 L C -0.329 176.577 176.870 0.060 0.000 1.057 407 L CA -0.277 54.588 54.840 0.041 0.000 0.811 407 L CB 0.923 43.003 42.059 0.036 0.000 1.184 407 L HN 0.671 nan 8.230 nan 0.000 0.429 408 K N 4.911 125.346 120.400 0.058 0.000 2.276 408 K HA 0.487 4.807 4.320 -0.000 0.000 0.283 408 K C -0.316 176.338 176.600 0.090 0.000 1.044 408 K CA -0.462 55.866 56.287 0.070 0.000 0.944 408 K CB 1.723 34.255 32.500 0.053 0.000 1.012 408 K HN 0.551 nan 8.250 nan 0.000 0.472 409 V N -1.121 118.863 119.914 0.116 0.000 3.126 409 V HA 0.641 4.760 4.120 -0.000 0.000 0.314 409 V C -0.961 175.220 176.094 0.146 0.000 1.138 409 V CA -0.812 61.586 62.300 0.163 0.000 1.034 409 V CB 2.113 34.080 31.823 0.239 0.000 1.075 409 V HN 0.994 nan 8.190 nan 0.000 0.442 410 D N -0.647 119.862 120.400 0.182 0.000 2.713 410 D HA 0.666 5.306 4.640 -0.000 0.000 0.306 410 D C -0.063 176.354 176.300 0.195 0.000 1.299 410 D CA 0.227 54.315 54.000 0.147 0.000 0.823 410 D CB 1.264 42.121 40.800 0.095 0.000 1.353 410 D HN 1.987 nan 8.370 nan 0.000 0.447 411 G N -1.813 107.075 108.800 0.146 0.000 2.384 411 G HA2 0.334 4.294 3.960 -0.000 0.000 0.668 411 G HA3 0.334 4.294 3.960 -0.000 0.000 0.668 411 G C 0.480 175.457 174.900 0.128 0.000 1.280 411 G CA 0.243 45.439 45.100 0.159 0.000 0.992 411 G HN 0.969 nan 8.290 nan 0.000 0.512 412 G N -0.607 108.270 108.800 0.128 0.000 2.453 412 G HA2 0.441 4.401 3.960 -0.000 0.000 0.215 412 G HA3 0.441 4.401 3.960 -0.000 0.000 0.215 412 G C 1.612 176.553 174.900 0.067 0.000 1.147 412 G CA 1.869 47.024 45.100 0.092 0.000 0.802 412 G HN 1.905 nan 8.290 nan 0.000 0.535 413 A N 0.394 123.263 122.820 0.082 0.000 2.370 413 A HA 0.689 5.009 4.320 -0.000 0.000 0.238 413 A C 2.009 179.523 177.584 -0.116 0.000 1.289 413 A CA 0.969 53.008 52.037 0.003 0.000 0.885 413 A CB -0.146 18.873 19.000 0.032 0.000 0.961 413 A HN 0.497 nan 8.150 nan 0.000 0.499 414 A N -0.218 122.567 122.820 -0.059 0.000 2.238 414 A HA 0.162 4.482 4.320 -0.000 0.000 0.210 414 A C 1.707 179.251 177.584 -0.067 0.000 1.179 414 A CA 0.474 52.442 52.037 -0.115 0.000 0.827 414 A CB -0.117 18.893 19.000 0.016 0.000 0.856 414 A HN 0.425 nan 8.150 nan 0.000 0.488 415 K N 0.006 120.390 120.400 -0.027 0.000 2.432 415 K HA -0.018 4.302 4.320 -0.000 0.000 0.196 415 K C 0.186 176.775 176.600 -0.018 0.000 1.038 415 K CA 0.097 56.386 56.287 0.003 0.000 0.986 415 K CB -0.158 32.353 32.500 0.018 0.000 0.782 415 K HN 0.472 nan 8.250 nan 0.000 0.485 416 N N 1.946 120.601 118.700 -0.074 0.000 2.405 416 N HA -0.041 4.699 4.740 -0.000 0.000 0.260 416 N C 0.213 175.643 175.510 -0.135 0.000 1.152 416 N CA -0.065 52.927 53.050 -0.097 0.000 0.948 416 N CB 0.699 39.107 38.487 -0.132 0.000 1.111 416 N HN 0.011 nan 8.380 nan 0.000 0.485 417 D N 2.789 123.155 120.400 -0.057 0.000 2.219 417 D HA -0.108 4.532 4.640 -0.000 0.000 0.205 417 D C 1.359 177.602 176.300 -0.095 0.000 0.970 417 D CA 0.935 54.924 54.000 -0.017 0.000 0.851 417 D CB 0.363 41.233 40.800 0.117 0.000 0.943 417 D HN 0.495 nan 8.370 nan 0.000 0.488 418 L N 0.391 121.557 121.223 -0.095 0.000 2.270 418 L HA 0.026 4.366 4.340 -0.000 0.000 0.210 418 L C 2.282 179.072 176.870 -0.134 0.000 1.104 418 L CA 0.492 55.279 54.840 -0.088 0.000 0.804 418 L CB -0.080 41.932 42.059 -0.079 0.000 0.937 418 L HN -0.015 nan 8.230 nan 0.000 0.450 419 L N -1.454 119.646 121.223 -0.205 0.000 2.179 419 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 419 L C 2.060 178.740 176.870 -0.317 0.000 1.096 419 L CA 0.690 55.384 54.840 -0.243 0.000 0.779 419 L CB 0.023 41.904 42.059 -0.296 0.000 0.922 419 L HN 0.265 nan 8.230 nan 0.000 0.443 420 M N -1.426 117.885 119.600 -0.482 0.000 2.476 420 M HA -0.069 4.411 4.480 -0.000 0.000 0.262 420 M C 1.955 177.839 176.300 -0.694 0.000 1.111 420 M CA 0.975 55.836 55.300 -0.731 0.000 1.127 420 M CB -0.502 31.363 32.600 -1.225 0.000 1.376 420 M HN 0.217 nan 8.290 nan 0.000 0.465 421 Q N -0.171 119.374 119.800 -0.426 0.000 2.163 421 Q HA -0.019 4.321 4.340 -0.000 0.000 0.198 421 Q C 1.732 177.712 176.000 -0.033 0.000 0.954 421 Q CA 1.261 57.005 55.803 -0.098 0.000 0.851 421 Q CB -0.250 28.524 28.738 0.059 0.000 0.928 421 Q HN 0.350 nan 8.270 nan 0.000 0.459 422 F N 0.402 120.244 119.950 -0.180 0.000 2.325 422 F HA -0.022 4.505 4.527 -0.000 0.000 0.299 422 F C 2.051 177.750 175.800 -0.168 0.000 1.090 422 F CA 1.204 59.108 58.000 -0.160 0.000 1.392 422 F CB 0.064 38.945 39.000 -0.198 0.000 1.053 422 F HN 0.167 nan 8.300 nan 0.000 0.521 423 Q N 0.378 120.100 119.800 -0.129 0.000 2.291 423 Q HA -0.017 4.323 4.340 -0.000 0.000 0.205 423 Q C 1.944 177.848 176.000 -0.160 0.000 0.970 423 Q CA 1.498 57.207 55.803 -0.157 0.000 0.876 423 Q CB -0.285 28.366 28.738 -0.144 0.000 0.935 423 Q HN 0.399 nan 8.270 nan 0.000 0.455 424 A N -0.147 122.588 122.820 -0.142 0.000 1.911 424 A HA -0.053 4.267 4.320 -0.000 0.000 0.212 424 A C 1.669 179.179 177.584 -0.124 0.000 1.189 424 A CA 1.196 53.184 52.037 -0.081 0.000 0.639 424 A CB -0.236 18.771 19.000 0.012 0.000 0.839 424 A HN 0.355 nan 8.150 nan 0.000 0.449 425 D N -0.336 119.948 120.400 -0.193 0.000 2.149 425 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 425 D C 1.607 177.723 176.300 -0.307 0.000 0.972 425 D CA 1.036 54.899 54.000 -0.227 0.000 0.835 425 D CB -0.088 40.568 40.800 -0.240 0.000 0.966 425 D HN 0.387 nan 8.370 nan 0.000 0.476 426 I N 0.142 120.429 120.570 -0.473 0.000 2.876 426 I HA -0.083 4.087 4.170 -0.000 0.000 0.264 426 I C 1.793 177.755 176.117 -0.258 0.000 1.204 426 I CA 0.453 61.509 61.300 -0.407 0.000 1.485 426 I CB 0.330 37.985 38.000 -0.574 0.000 1.103 426 I HN -0.132 nan 8.210 nan 0.000 0.446 427 L N -0.125 120.968 121.223 -0.216 0.000 2.416 427 L HA 0.107 4.447 4.340 -0.000 0.000 0.216 427 L C 0.686 177.489 176.870 -0.112 0.000 1.098 427 L CA 0.845 55.590 54.840 -0.158 0.000 0.840 427 L CB -0.239 41.748 42.059 -0.120 0.000 0.981 427 L HN 0.257 nan 8.230 nan 0.000 0.462 428 D N -0.318 120.022 120.400 -0.101 0.000 3.079 428 D HA -0.229 4.410 4.640 -0.000 0.000 0.214 428 D C 0.206 176.482 176.300 -0.041 0.000 1.145 428 D CA 1.108 55.069 54.000 -0.064 0.000 0.958 428 D CB -1.289 39.478 40.800 -0.055 0.000 1.117 428 D HN 0.301 nan 8.370 nan 0.000 0.416 429 I N 0.968 121.514 120.570 -0.040 0.000 2.603 429 I HA 0.180 4.350 4.170 -0.000 0.000 0.300 429 I C 0.604 176.720 176.117 -0.002 0.000 1.017 429 I CA -0.790 60.499 61.300 -0.019 0.000 1.098 429 I CB 1.783 39.772 38.000 -0.018 0.000 1.279 429 I HN -0.268 nan 8.210 nan 0.000 0.437 430 D N 4.269 124.679 120.400 0.016 0.000 2.389 430 D HA 0.179 4.818 4.640 -0.000 0.000 0.247 430 D C -0.578 175.759 176.300 0.062 0.000 1.128 430 D CA 0.090 54.115 54.000 0.042 0.000 0.884 430 D CB 2.059 42.881 40.800 0.035 0.000 1.194 430 D HN 0.031 nan 8.370 nan 0.000 0.441 431 V N 3.388 123.369 119.914 0.113 0.000 2.370 431 V HA 0.104 4.224 4.120 -0.000 0.000 0.283 431 V C 0.253 176.470 176.094 0.204 0.000 1.023 431 V CA -0.642 61.740 62.300 0.137 0.000 0.857 431 V CB 1.483 33.363 31.823 0.095 0.000 0.985 431 V HN 0.351 nan 8.190 nan 0.000 0.443 432 Q N 4.811 124.696 119.800 0.143 0.000 2.340 432 Q HA 0.441 4.781 4.340 -0.000 0.000 0.259 432 Q C -0.413 175.673 176.000 0.143 0.000 0.964 432 Q CA -0.368 55.511 55.803 0.126 0.000 0.900 432 Q CB 2.356 31.139 28.738 0.075 0.000 1.228 432 Q HN 0.580 nan 8.270 nan 0.000 0.449 433 R N 1.518 122.120 120.500 0.172 0.000 2.393 433 R HA 0.633 4.973 4.340 -0.000 0.000 0.310 433 R C -0.924 175.440 176.300 0.106 0.000 0.968 433 R CA -0.125 56.074 56.100 0.163 0.000 0.867 433 R CB 1.336 31.792 30.300 0.261 0.000 1.124 433 R HN 0.676 nan 8.270 nan 0.000 0.450 434 A N 2.630 125.505 122.820 0.091 0.000 2.257 434 A HA 0.526 4.846 4.320 -0.000 0.000 0.289 434 A C 0.877 178.502 177.584 0.068 0.000 1.095 434 A CA 0.205 52.284 52.037 0.070 0.000 0.836 434 A CB 0.874 19.914 19.000 0.066 0.000 1.111 434 A HN 0.928 nan 8.150 nan 0.000 0.497 435 A N 0.371 123.226 122.820 0.059 0.000 1.897 435 A HA -0.003 4.317 4.320 -0.000 0.000 0.215 435 A C 0.827 178.450 177.584 0.066 0.000 1.181 435 A CA 1.323 53.395 52.037 0.057 0.000 0.620 435 A CB -0.575 18.456 19.000 0.052 0.000 0.821 435 A HN 0.826 nan 8.150 nan 0.000 0.443 436 N N 0.202 118.946 118.700 0.072 0.000 2.589 436 N HA 0.444 5.184 4.740 -0.000 0.000 0.232 436 N C 0.117 175.667 175.510 0.067 0.000 1.015 436 N CA -0.331 52.765 53.050 0.076 0.000 0.931 436 N CB 1.181 39.725 38.487 0.095 0.000 1.150 436 N HN 0.153 nan 8.380 nan 0.000 0.512 437 L N 0.723 121.986 121.223 0.067 0.000 2.156 437 L HA -0.029 4.310 4.340 -0.000 0.000 0.208 437 L C 0.988 177.896 176.870 0.063 0.000 1.095 437 L CA 1.131 56.013 54.840 0.070 0.000 0.770 437 L CB -0.064 42.039 42.059 0.073 0.000 0.914 437 L HN 0.442 nan 8.230 nan 0.000 0.439 438 E N 0.528 120.760 120.200 0.053 0.000 2.110 438 E HA 0.078 4.428 4.350 -0.000 0.000 0.300 438 E C 0.741 177.343 176.600 0.004 0.000 1.278 438 E CA 0.100 56.523 56.400 0.038 0.000 1.365 438 E CB -0.127 29.597 29.700 0.040 0.000 1.283 438 E HN 0.332 nan 8.360 nan 0.000 0.490 439 T N -1.680 112.875 114.554 0.001 0.000 3.148 439 T HA -0.085 4.265 4.350 -0.000 0.000 0.253 439 T C 1.708 176.359 174.700 -0.082 0.000 1.134 439 T CA 0.576 62.649 62.100 -0.045 0.000 1.051 439 T CB 0.201 69.063 68.868 -0.010 0.000 0.959 439 T HN 0.271 nan 8.240 nan 0.000 0.525 440 T N 1.273 115.797 114.554 -0.051 0.000 2.904 440 T HA 0.110 4.460 4.350 -0.000 0.000 0.267 440 T C 2.186 176.824 174.700 -0.104 0.000 1.059 440 T CA 1.088 63.156 62.100 -0.053 0.000 1.137 440 T CB -0.409 68.454 68.868 -0.007 0.000 0.879 440 T HN 0.422 nan 8.240 nan 0.000 0.467 441 A N 0.811 123.553 122.820 -0.130 0.000 2.016 441 A HA 0.303 4.623 4.320 -0.000 0.000 0.217 441 A C 2.285 179.659 177.584 -0.350 0.000 1.162 441 A CA 0.637 52.565 52.037 -0.181 0.000 0.662 441 A CB -0.518 18.401 19.000 -0.135 0.000 0.812 441 A HN 0.573 nan 8.150 nan 0.000 0.450 442 L N -0.789 120.162 121.223 -0.454 0.000 2.141 442 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 442 L C 2.664 178.899 176.870 -1.057 0.000 1.094 442 L CA 1.041 55.363 54.840 -0.863 0.000 0.763 442 L CB -0.738 40.894 42.059 -0.711 0.000 0.908 442 L HN 0.484 nan 8.230 nan 0.000 0.437 443 G N -0.327 108.147 108.800 -0.543 0.000 2.448 443 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.218 443 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.218 443 G C 1.697 176.553 174.900 -0.074 0.000 1.135 443 G CA 0.705 45.649 45.100 -0.261 0.000 0.784 443 G HN 0.441 nan 8.290 nan 0.000 0.543 444 A N 0.600 123.323 122.820 -0.162 0.000 2.072 444 A HA 0.569 4.889 4.320 -0.000 0.000 0.216 444 A C 2.593 180.137 177.584 -0.068 0.000 1.156 444 A CA 1.530 53.515 52.037 -0.086 0.000 0.701 444 A CB -0.267 18.674 19.000 -0.099 0.000 0.816 444 A HN 0.526 nan 8.150 nan 0.000 0.458 445 A N -1.084 121.612 122.820 -0.206 0.000 1.930 445 A HA 0.077 4.397 4.320 -0.000 0.000 0.215 445 A C 1.898 179.657 177.584 0.292 0.000 1.176 445 A CA 1.095 53.081 52.037 -0.085 0.000 0.632 445 A CB -0.599 18.116 19.000 -0.476 0.000 0.819 445 A HN 0.495 nan 8.150 nan 0.000 0.445 446 Y N -1.065 119.281 120.300 0.076 0.000 2.457 446 Y HA 0.062 4.612 4.550 -0.000 0.000 0.292 446 Y C 1.942 178.068 175.900 0.377 0.000 1.125 446 Y CA -0.211 57.955 58.100 0.110 0.000 1.254 446 Y CB -0.540 37.767 38.460 -0.255 0.000 1.012 446 Y HN 0.198 nan 8.280 nan 0.000 0.555 447 L N -0.532 120.956 121.223 0.442 0.000 2.270 447 L HA 0.105 4.445 4.340 -0.000 0.000 0.210 447 L C 2.259 179.242 176.870 0.188 0.000 1.104 447 L CA 1.306 56.298 54.840 0.252 0.000 0.804 447 L CB -1.203 40.888 42.059 0.053 0.000 0.937 447 L HN 0.124 nan 8.230 nan 0.000 0.450 448 A N -1.240 121.701 122.820 0.201 0.000 1.975 448 A HA 0.125 4.445 4.320 -0.000 0.000 0.215 448 A C 2.211 179.888 177.584 0.155 0.000 1.170 448 A CA 1.074 53.186 52.037 0.125 0.000 0.656 448 A CB -0.847 18.193 19.000 0.067 0.000 0.821 448 A HN 0.400 nan 8.150 nan 0.000 0.449 449 G N -0.980 108.028 108.800 0.346 0.000 2.551 449 G HA2 0.146 4.106 3.960 -0.000 0.000 0.216 449 G HA3 0.146 4.106 3.960 -0.000 0.000 0.216 449 G C 1.170 176.323 174.900 0.421 0.000 1.137 449 G CA 0.466 45.794 45.100 0.379 0.000 0.798 449 G HN 0.317 nan 8.290 nan 0.000 0.536 450 L N 0.767 122.237 121.223 0.412 0.000 2.395 450 L HA 0.327 4.667 4.340 -0.000 0.000 0.218 450 L C 2.754 179.739 176.870 0.191 0.000 1.130 450 L CA 1.191 56.225 54.840 0.324 0.000 0.826 450 L CB -0.025 42.238 42.059 0.340 0.000 0.941 450 L HN 0.249 nan 8.230 nan 0.000 0.451 451 A N -2.062 120.839 122.820 0.134 0.000 2.115 451 A HA 0.118 4.438 4.320 -0.000 0.000 0.211 451 A C 2.072 179.677 177.584 0.035 0.000 1.169 451 A CA 0.631 52.699 52.037 0.051 0.000 0.787 451 A CB -0.085 18.900 19.000 -0.026 0.000 0.858 451 A HN 0.124 nan 8.150 nan 0.000 0.474 452 V N -1.009 118.939 119.914 0.057 0.000 2.500 452 V HA 0.299 4.419 4.120 -0.000 0.000 0.243 452 V C 1.655 177.790 176.094 0.069 0.000 1.039 452 V CA 1.363 63.688 62.300 0.040 0.000 1.053 452 V CB -0.524 31.308 31.823 0.016 0.000 0.695 452 V HN 1.073 nan 8.190 nan 0.000 0.463 453 G N -0.861 108.008 108.800 0.115 0.000 2.245 453 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.130 453 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.130 453 G C 0.230 175.193 174.900 0.106 0.000 1.040 453 G CA 0.103 45.266 45.100 0.105 0.000 0.713 453 G HN 0.257 nan 8.290 nan 0.000 0.488 454 F N -0.545 119.355 119.950 -0.082 0.000 2.387 454 F HA 0.395 4.921 4.527 -0.000 0.000 0.294 454 F C 1.778 177.366 175.800 -0.353 0.000 1.093 454 F CA 1.262 59.078 58.000 -0.307 0.000 1.420 454 F CB 0.128 38.817 39.000 -0.519 0.000 1.086 454 F HN 0.342 nan 8.300 nan 0.000 0.531 455 W N -0.634 120.757 121.300 0.152 0.000 3.231 455 W HA 0.173 4.833 4.660 -0.000 0.000 0.234 455 W C 1.347 177.892 176.519 0.043 0.000 1.099 455 W CA 0.433 57.808 57.345 0.051 0.000 1.467 455 W CB -0.035 29.488 29.460 0.105 0.000 0.800 455 W HN -0.138 nan 8.180 nan 0.000 0.739 456 K N -0.850 119.732 120.400 0.303 0.000 4.998 456 K HA -0.211 4.109 4.320 -0.000 0.000 0.444 456 K C 0.091 176.799 176.600 0.181 0.000 0.393 456 K CA 2.221 58.621 56.287 0.189 0.000 1.908 456 K CB -1.134 31.438 32.500 0.119 0.000 0.757 456 K HN 0.025 nan 8.250 nan 0.000 0.588 457 D N -1.654 118.854 120.400 0.180 0.000 2.744 457 D HA 0.330 4.970 4.640 -0.000 0.000 0.304 457 D C 0.175 176.526 176.300 0.085 0.000 1.179 457 D CA -0.529 53.549 54.000 0.131 0.000 1.024 457 D CB 1.369 42.223 40.800 0.091 0.000 1.453 457 D HN -0.016 nan 8.370 nan 0.000 0.529 458 L N 0.580 121.838 121.223 0.058 0.000 2.477 458 L HA 0.024 4.364 4.340 -0.000 0.000 0.220 458 L C 0.894 177.715 176.870 -0.083 0.000 1.106 458 L CA 0.476 55.289 54.840 -0.045 0.000 0.851 458 L CB 0.164 42.271 42.059 0.081 0.000 0.994 458 L HN 0.217 nan 8.230 nan 0.000 0.462 459 D N 0.424 120.815 120.400 -0.016 0.000 2.392 459 D HA -0.129 4.511 4.640 -0.000 0.000 0.228 459 D C 1.562 177.834 176.300 -0.047 0.000 1.003 459 D CA 0.737 54.723 54.000 -0.023 0.000 0.917 459 D CB 0.270 41.076 40.800 0.010 0.000 0.890 459 D HN 0.390 nan 8.370 nan 0.000 0.532 460 E N -0.278 119.876 120.200 -0.076 0.000 2.415 460 E HA 0.035 4.385 4.350 -0.000 0.000 0.197 460 E C 1.262 177.767 176.600 -0.160 0.000 1.007 460 E CA 0.055 56.414 56.400 -0.068 0.000 0.890 460 E CB 0.656 30.373 29.700 0.028 0.000 0.891 460 E HN 0.209 nan 8.360 nan 0.000 0.496 461 L N 0.566 121.613 121.223 -0.294 0.000 2.741 461 L HA 0.214 4.554 4.340 -0.000 0.000 0.237 461 L C 1.552 178.278 176.870 -0.240 0.000 1.178 461 L CA 0.324 54.932 54.840 -0.386 0.000 0.973 461 L CB -0.242 41.312 42.059 -0.842 0.000 1.255 461 L HN -0.047 nan 8.230 nan 0.000 0.498 462 K N -0.252 120.058 120.400 -0.151 0.000 2.217 462 K HA 0.017 4.337 4.320 -0.000 0.000 0.202 462 K C 1.720 178.282 176.600 -0.064 0.000 1.051 462 K CA 0.671 56.900 56.287 -0.097 0.000 0.952 462 K CB 0.318 32.776 32.500 -0.071 0.000 0.736 462 K HN 0.128 nan 8.250 nan 0.000 0.453 463 S N 0.474 116.141 115.700 -0.056 0.000 2.603 463 S HA 0.091 4.560 4.470 -0.000 0.000 0.220 463 S C 1.227 175.818 174.600 -0.015 0.000 0.967 463 S CA 0.501 58.683 58.200 -0.030 0.000 0.920 463 S CB 0.155 63.341 63.200 -0.024 0.000 0.773 463 S HN 0.188 nan 8.310 nan 0.000 0.529 464 M N 0.481 120.070 119.600 -0.018 0.000 2.371 464 M HA 0.348 4.828 4.480 -0.000 0.000 0.246 464 M C 1.078 177.397 176.300 0.032 0.000 1.103 464 M CA -0.086 55.227 55.300 0.022 0.000 1.010 464 M CB -0.707 31.924 32.600 0.052 0.000 1.457 464 M HN 0.194 nan 8.290 nan 0.000 0.486 465 A N 1.078 123.903 122.820 0.008 0.000 3.019 465 A HA 0.171 4.491 4.320 -0.000 0.000 0.262 465 A C 0.137 177.730 177.584 0.015 0.000 1.509 465 A CA -0.095 51.950 52.037 0.014 0.000 1.159 465 A CB -0.582 18.415 19.000 -0.006 0.000 1.042 465 A HN 0.154 nan 8.150 nan 0.000 0.641 466 E N 1.886 122.099 120.200 0.022 0.000 2.223 466 E HA 0.142 4.492 4.350 -0.000 0.000 0.282 466 E C -0.429 176.185 176.600 0.024 0.000 1.046 466 E CA -0.052 56.359 56.400 0.018 0.000 0.857 466 E CB 0.761 30.472 29.700 0.018 0.000 1.055 466 E HN 0.412 nan 8.360 nan 0.000 0.409 467 E N 1.852 122.062 120.200 0.017 0.000 2.229 467 E HA 0.165 4.515 4.350 -0.000 0.000 0.283 467 E C 0.962 177.568 176.600 0.009 0.000 1.030 467 E CA -0.245 56.168 56.400 0.021 0.000 0.836 467 E CB 1.504 31.214 29.700 0.018 0.000 1.068 467 E HN 0.674 nan 8.360 nan 0.000 0.401 468 G N 3.176 111.986 108.800 0.017 0.000 2.499 468 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.213 468 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.213 468 G C 0.481 175.358 174.900 -0.038 0.000 1.230 468 G CA 0.334 45.435 45.100 0.002 0.000 0.813 468 G HN 0.277 nan 8.290 nan 0.000 0.542 469 Q N -0.408 119.360 119.800 -0.054 0.000 2.301 469 Q HA 0.565 4.905 4.340 -0.000 0.000 0.267 469 Q C -0.885 174.963 176.000 -0.254 0.000 1.035 469 Q CA -0.503 55.179 55.803 -0.202 0.000 0.856 469 Q CB 2.209 30.768 28.738 -0.299 0.000 1.337 469 Q HN 0.149 nan 8.270 nan 0.000 0.450 470 M N 2.198 121.564 119.600 -0.389 0.000 2.253 470 M HA 0.428 4.907 4.480 -0.000 0.000 0.314 470 M C -1.345 174.687 176.300 -0.447 0.000 1.019 470 M CA -0.540 54.598 55.300 -0.270 0.000 0.932 470 M CB 0.845 33.365 32.600 -0.132 0.000 1.606 470 M HN 0.466 nan 8.290 nan 0.000 0.430 471 F N 1.903 121.848 119.950 -0.010 0.000 2.332 471 F HA 0.365 4.892 4.527 -0.000 0.000 0.368 471 F C 0.622 176.411 175.800 -0.018 0.000 1.110 471 F CA -0.495 57.496 58.000 -0.015 0.000 1.087 471 F CB 1.018 40.007 39.000 -0.020 0.000 1.235 471 F HN 0.343 nan 8.300 nan 0.000 0.470 472 T N 4.453 119.060 114.554 0.089 0.000 2.799 472 T HA 0.280 4.630 4.350 -0.000 0.000 0.286 472 T C -2.484 172.245 174.700 0.049 0.000 0.973 472 T CA -1.632 60.496 62.100 0.048 0.000 1.035 472 T CB 1.157 70.031 68.868 0.009 0.000 0.932 472 T HN 0.105 nan 8.240 nan 0.000 0.469 473 P HA 0.108 nan 4.420 nan 0.000 0.261 473 P C 0.493 177.796 177.300 0.005 0.000 1.203 473 P CA 0.278 63.380 63.100 0.003 0.000 0.767 473 P CB 0.536 32.226 31.700 -0.016 0.000 0.785 474 E N 2.678 122.884 120.200 0.010 0.000 4.569 474 E HA 0.195 4.545 4.350 -0.000 0.000 0.455 474 E C 1.300 177.904 176.600 0.006 0.000 1.200 474 E CA -0.045 56.362 56.400 0.013 0.000 2.838 474 E CB 0.023 29.738 29.700 0.025 0.000 1.844 474 E HN 0.300 nan 8.360 nan 0.000 0.714 475 M N 0.063 119.670 119.600 0.013 0.000 2.514 475 M HA 0.055 4.535 4.480 -0.000 0.000 0.258 475 M C -1.157 175.152 176.300 0.015 0.000 1.119 475 M CA 0.125 55.432 55.300 0.013 0.000 1.111 475 M CB -1.443 31.166 32.600 0.017 0.000 1.390 475 M HN 0.078 nan 8.290 nan 0.000 0.475 476 P HA 0.158 nan 4.420 nan 0.000 0.255 476 P C 0.614 177.913 177.300 -0.002 0.000 1.301 476 P CA 0.531 63.647 63.100 0.027 0.000 0.817 476 P CB -0.082 31.649 31.700 0.052 0.000 1.259 477 A N -0.277 122.532 122.820 -0.019 0.000 2.275 477 A HA 0.024 4.344 4.320 -0.000 0.000 0.212 477 A C 1.798 179.368 177.584 -0.023 0.000 1.201 477 A CA 0.597 52.607 52.037 -0.045 0.000 0.843 477 A CB -0.217 18.753 19.000 -0.050 0.000 0.873 477 A HN 0.007 nan 8.150 nan 0.000 0.492 478 E N 0.651 120.851 120.200 -0.000 0.000 2.250 478 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 478 E C 0.583 177.197 176.600 0.024 0.000 0.986 478 E CA 0.825 57.231 56.400 0.011 0.000 0.849 478 E CB -0.028 29.682 29.700 0.016 0.000 0.797 478 E HN 0.959 nan 8.360 nan 0.000 0.482 479 E N 1.887 122.107 120.200 0.034 0.000 2.405 479 E HA 0.084 4.434 4.350 -0.000 0.000 0.214 479 E C 1.467 178.110 176.600 0.073 0.000 1.101 479 E CA -0.250 56.187 56.400 0.061 0.000 1.254 479 E CB 0.045 29.792 29.700 0.077 0.000 1.240 479 E HN -0.012 nan 8.360 nan 0.000 0.439 480 R N 1.010 121.534 120.500 0.040 0.000 2.119 480 R HA -0.061 4.279 4.340 -0.000 0.000 0.222 480 R C 0.589 176.950 176.300 0.101 0.000 1.088 480 R CA 1.043 57.160 56.100 0.028 0.000 0.984 480 R CB -0.184 30.090 30.300 -0.044 0.000 0.884 480 R HN 0.142 nan 8.270 nan 0.000 0.447 481 D N 0.948 121.411 120.400 0.105 0.000 2.289 481 D HA -0.018 4.622 4.640 -0.000 0.000 0.207 481 D C 1.028 177.416 176.300 0.146 0.000 0.966 481 D CA 0.737 54.828 54.000 0.153 0.000 0.868 481 D CB -0.072 40.794 40.800 0.109 0.000 0.943 481 D HN 0.455 nan 8.370 nan 0.000 0.514 482 N N 0.021 118.797 118.700 0.126 0.000 2.354 482 N HA -0.050 4.690 4.740 -0.000 0.000 0.179 482 N C 1.290 176.899 175.510 0.166 0.000 1.021 482 N CA 0.349 53.470 53.050 0.119 0.000 0.887 482 N CB 0.218 38.770 38.487 0.108 0.000 0.974 482 N HN -0.012 nan 8.380 nan 0.000 0.437 483 L N -1.004 120.358 121.223 0.231 0.000 2.513 483 L HA 0.098 4.438 4.340 -0.000 0.000 0.222 483 L C 1.349 178.350 176.870 0.219 0.000 1.096 483 L CA 0.652 55.702 54.840 0.350 0.000 0.857 483 L CB -0.172 42.178 42.059 0.485 0.000 1.026 483 L HN 0.203 nan 8.230 nan 0.000 0.469 484 Y N 0.038 120.345 120.300 0.012 0.000 2.436 484 Y HA 0.052 4.602 4.550 -0.000 0.000 0.288 484 Y C 2.234 178.086 175.900 -0.080 0.000 1.112 484 Y CA 0.911 58.960 58.100 -0.085 0.000 1.220 484 Y CB 0.370 38.842 38.460 0.019 0.000 1.073 484 Y HN 0.107 nan 8.280 nan 0.000 0.552 485 E N -0.479 119.655 120.200 -0.109 0.000 2.274 485 E HA -0.036 4.314 4.350 -0.000 0.000 0.194 485 E C 2.164 178.595 176.600 -0.282 0.000 0.996 485 E CA 0.882 57.154 56.400 -0.214 0.000 0.840 485 E CB -0.333 29.309 29.700 -0.096 0.000 0.772 485 E HN 0.566 nan 8.360 nan 0.000 0.491 486 G N 0.106 108.725 108.800 -0.303 0.000 2.623 486 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.214 486 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.214 486 G C 1.291 175.607 174.900 -0.973 0.000 1.138 486 G CA 0.004 44.791 45.100 -0.522 0.000 0.794 486 G HN 0.321 nan 8.290 nan 0.000 0.535 487 W N 1.480 122.177 121.300 -1.004 0.000 2.481 487 W HA 0.121 4.780 4.660 -0.000 0.000 0.293 487 W C 1.566 177.726 176.519 -0.598 0.000 1.201 487 W CA 0.633 57.458 57.345 -0.867 0.000 1.328 487 W CB 0.104 29.066 29.460 -0.829 0.000 1.112 487 W HN 0.117 nan 8.180 nan 0.000 0.546 488 K N 0.254 120.246 120.400 -0.680 0.000 2.439 488 K HA -0.113 4.207 4.320 -0.000 0.000 0.197 488 K C 1.905 178.161 176.600 -0.573 0.000 1.041 488 K CA 0.719 56.608 56.287 -0.664 0.000 0.970 488 K CB 0.015 32.226 32.500 -0.482 0.000 0.773 488 K HN 0.167 nan 8.250 nan 0.000 0.479 489 Q N -0.399 119.075 119.800 -0.544 0.000 2.354 489 Q HA 0.082 4.422 4.340 -0.000 0.000 0.203 489 Q C 1.849 177.482 176.000 -0.612 0.000 0.933 489 Q CA 0.648 56.173 55.803 -0.465 0.000 0.901 489 Q CB 0.466 28.992 28.738 -0.353 0.000 1.007 489 Q HN 0.272 nan 8.270 nan 0.000 0.495 490 A N 0.144 122.499 122.820 -0.774 0.000 2.081 490 A HA 0.115 4.435 4.320 -0.000 0.000 0.214 490 A C 1.355 178.319 177.584 -1.035 0.000 1.158 490 A CA 0.174 51.565 52.037 -1.077 0.000 0.724 490 A CB 0.188 18.742 19.000 -0.743 0.000 0.826 490 A HN 0.086 nan 8.150 nan 0.000 0.463 491 V N 0.000 119.351 119.914 -0.939 0.000 2.409 491 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 491 V CA 0.000 61.770 62.300 -0.884 0.000 1.235 491 V CB 0.000 31.104 31.823 -1.198 0.000 1.184 491 V HN 0.000 nan 8.190 nan 0.000 0.556