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 2c31_1_A DATA FIRST_RESID 7 DATA SEQUENCE VELTDGFHVL IDALKMNDID TMYGVVGIPI TNLARMWQDD GQRFYSFRHE DATA SEQUENCE QHAGYAASIA GYIEGKPGVC LTVSAPGFLN GVTSLAHATT NCFPMILLSG DATA SEQUENCE SSEREIVDLQ QGDYEEMDQM NVARPHCKAS FRINSIKDIP IGIARAVRTA DATA SEQUENCE VSGRPGGVYV DLPAKLFGQT ISVEEANKLL FKPIDPAPAQ IPAEDAIARA DATA SEQUENCE ADLIKNAKRP VIMLGKGAAY AQCDDEIRAL VEETGIPFLP MGMAKGLLPD DATA SEQUENCE NHPQSAAATR AFALAQCDVC VLIGARLNWL MQHGKGKTWG DELKKYVQID DATA SEQUENCE IQANEMDSNQ PIAAPVVGDI KSAVSLLRKA LKGAPKADAE WTGALKAKVD DATA SEQUENCE GNKAKLAGKM TAETPSGMMN YSNSLGVVRD FMLANPDISL VNEGANALDN DATA SEQUENCE TRMIVDMLKP RKRLDSGTWG VMGIGMGYCV AAAAVTGKPV IAVEGDSAFG DATA SEQUENCE FSGMELETIC RYNLPVTVII MNNGGIYKGN EADPQPGVIS CTRLTRGRYD DATA SEQUENCE MMMEAFGGKG YVANTPAELK AALEEAVASG KPCLINAMID PDAGVE 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.102 176.094 0.014 0.000 1.182 7 V CA 0.000 62.307 62.300 0.011 0.000 1.235 7 V CB 0.000 31.830 31.823 0.012 0.000 1.184 8 E N 4.194 124.401 120.200 0.012 0.000 2.491 8 E HA 0.263 4.613 4.350 -0.000 0.000 0.250 8 E C -0.785 175.827 176.600 0.021 0.000 1.061 8 E CA 0.210 56.618 56.400 0.014 0.000 0.942 8 E CB 0.542 30.246 29.700 0.007 0.000 0.957 8 E HN 0.514 nan 8.360 nan 0.000 0.480 9 L N 2.768 124.008 121.223 0.029 0.000 2.331 9 L HA 0.537 4.877 4.340 -0.000 0.000 0.268 9 L C 0.486 177.391 176.870 0.057 0.000 1.015 9 L CA -0.597 54.268 54.840 0.041 0.000 0.807 9 L CB 1.940 44.026 42.059 0.044 0.000 1.293 9 L HN 0.416 nan 8.230 nan 0.000 0.451 10 T N -1.040 113.561 114.554 0.078 0.000 2.864 10 T HA 0.455 4.805 4.350 -0.000 0.000 0.299 10 T C -1.621 173.168 174.700 0.149 0.000 1.166 10 T CA -0.674 61.502 62.100 0.128 0.000 1.007 10 T CB 1.723 70.658 68.868 0.111 0.000 1.219 10 T HN 0.752 nan 8.240 nan 0.000 0.506 11 D N 0.297 120.830 120.400 0.222 0.000 2.569 11 D HA 0.531 5.171 4.640 -0.000 0.000 0.266 11 D C 1.520 177.903 176.300 0.139 0.000 1.164 11 D CA -0.117 53.983 54.000 0.168 0.000 1.071 11 D CB 0.058 40.984 40.800 0.211 0.000 1.183 11 D HN 0.631 nan 8.370 nan 0.000 0.613 12 G N -0.847 107.982 108.800 0.048 0.000 2.418 12 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 12 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 12 G C 1.266 176.231 174.900 0.108 0.000 1.158 12 G CA 0.221 45.325 45.100 0.006 0.000 0.771 12 G HN 0.447 nan 8.290 nan 0.000 0.545 13 F N 0.517 120.557 119.950 0.149 0.000 2.063 13 F HA -0.153 4.375 4.527 0.000 0.000 0.298 13 F C 2.721 178.518 175.800 -0.004 0.000 1.109 13 F CA 1.896 59.907 58.000 0.018 0.000 1.212 13 F CB -0.353 38.514 39.000 -0.220 0.000 0.973 13 F HN 0.212 nan 8.300 nan 0.000 0.480 14 H N -1.370 117.883 119.070 0.305 0.000 2.395 14 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 14 H C 2.205 177.625 175.328 0.152 0.000 1.070 14 H CA 1.164 57.329 56.048 0.195 0.000 1.356 14 H CB -0.176 29.671 29.762 0.141 0.000 1.401 14 H HN 0.017 nan 8.280 nan 0.000 0.524 15 V N 0.746 120.806 119.914 0.243 0.000 2.343 15 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 15 V C 2.330 178.507 176.094 0.139 0.000 1.051 15 V CA 1.457 63.849 62.300 0.154 0.000 1.036 15 V CB -0.484 31.399 31.823 0.101 0.000 0.654 15 V HN 0.288 nan 8.190 nan 0.000 0.451 16 L N 0.024 121.340 121.223 0.155 0.000 2.017 16 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 16 L C 2.183 179.165 176.870 0.187 0.000 1.073 16 L CA 1.858 56.782 54.840 0.141 0.000 0.745 16 L CB -0.527 41.636 42.059 0.173 0.000 0.894 16 L HN 0.210 nan 8.230 nan 0.000 0.432 17 I N -0.299 120.432 120.570 0.268 0.000 2.208 17 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 17 I C 1.963 178.275 176.117 0.325 0.000 1.097 17 I CA 1.564 63.104 61.300 0.400 0.000 1.363 17 I CB -0.489 37.761 38.000 0.416 0.000 1.051 17 I HN 0.304 nan 8.210 nan 0.000 0.413 18 D N 0.865 121.394 120.400 0.215 0.000 2.117 18 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 18 D C 2.244 178.605 176.300 0.101 0.000 0.982 18 D CA 1.432 55.514 54.000 0.136 0.000 0.828 18 D CB -0.167 40.694 40.800 0.102 0.000 0.967 18 D HN 0.323 nan 8.370 nan 0.000 0.464 19 A N 0.305 123.175 122.820 0.082 0.000 1.902 19 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 19 A C 2.268 179.875 177.584 0.037 0.000 1.181 19 A CA 0.934 52.978 52.037 0.012 0.000 0.623 19 A CB -0.759 18.230 19.000 -0.019 0.000 0.818 19 A HN 0.208 nan 8.150 nan 0.000 0.443 20 L N -0.783 120.511 121.223 0.119 0.000 2.017 20 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 20 L C 2.592 179.592 176.870 0.217 0.000 1.073 20 L CA 1.792 56.729 54.840 0.161 0.000 0.745 20 L CB -0.421 41.753 42.059 0.193 0.000 0.894 20 L HN 0.339 nan 8.230 nan 0.000 0.432 21 K N -0.471 120.080 120.400 0.252 0.000 2.097 21 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 21 K C 2.091 178.738 176.600 0.079 0.000 1.049 21 K CA 1.457 57.837 56.287 0.155 0.000 0.933 21 K CB -0.156 32.392 32.500 0.080 0.000 0.717 21 K HN 0.208 nan 8.250 nan 0.000 0.442 22 M N 0.988 120.618 119.600 0.051 0.000 2.374 22 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 22 M C 0.693 176.992 176.300 -0.002 0.000 1.067 22 M CA 1.275 56.581 55.300 0.009 0.000 1.103 22 M CB 0.281 32.864 32.600 -0.028 0.000 1.402 22 M HN 0.035 nan 8.290 nan 0.000 0.444 23 N N 0.761 119.466 118.700 0.009 0.000 2.295 23 N HA -0.008 4.732 4.740 -0.000 0.000 0.221 23 N C -0.694 174.843 175.510 0.045 0.000 1.129 23 N CA 0.305 53.359 53.050 0.007 0.000 0.836 23 N CB 0.204 38.685 38.487 -0.010 0.000 1.040 23 N HN 0.282 nan 8.380 nan 0.000 0.494 24 D N 0.324 120.758 120.400 0.056 0.000 3.012 24 D HA -0.163 4.477 4.640 -0.000 0.000 0.222 24 D C -0.196 176.167 176.300 0.105 0.000 1.167 24 D CA 0.722 54.761 54.000 0.066 0.000 0.854 24 D CB -0.965 39.863 40.800 0.047 0.000 1.107 24 D HN 0.294 nan 8.370 nan 0.000 0.421 25 I N 1.600 122.265 120.570 0.159 0.000 2.365 25 I HA 0.142 4.312 4.170 -0.000 0.000 0.291 25 I C 1.324 177.650 176.117 0.349 0.000 1.004 25 I CA 0.110 61.552 61.300 0.236 0.000 1.311 25 I CB 1.347 39.490 38.000 0.238 0.000 1.401 25 I HN -0.075 nan 8.210 nan 0.000 0.491 26 D N 2.023 122.607 120.400 0.308 0.000 2.539 26 D HA 0.081 4.720 4.640 -0.000 0.000 0.232 26 D C -0.138 176.357 176.300 0.324 0.000 1.256 26 D CA -0.053 54.079 54.000 0.220 0.000 0.810 26 D CB 0.573 41.397 40.800 0.040 0.000 1.090 26 D HN 0.334 nan 8.370 nan 0.000 0.519 27 T N 0.644 115.447 114.554 0.416 0.000 2.952 27 T HA 0.566 4.916 4.350 -0.000 0.000 0.305 27 T C -0.628 174.126 174.700 0.090 0.000 1.064 27 T CA -0.580 61.670 62.100 0.250 0.000 1.008 27 T CB 2.110 71.005 68.868 0.046 0.000 1.078 27 T HN -0.027 nan 8.240 nan 0.000 0.459 28 M N 2.554 122.124 119.600 -0.051 0.000 2.446 28 M HA 0.497 4.977 4.480 -0.000 0.000 0.294 28 M C -1.770 174.209 176.300 -0.534 0.000 1.158 28 M CA -0.808 54.349 55.300 -0.240 0.000 0.899 28 M CB 2.534 35.016 32.600 -0.197 0.000 1.687 28 M HN 0.637 nan 8.290 nan 0.000 0.455 29 Y N 0.333 120.530 120.300 -0.171 0.000 2.364 29 Y HA 0.827 5.378 4.550 0.000 0.000 0.340 29 Y C 0.554 176.269 175.900 -0.307 0.000 0.975 29 Y CA -0.459 57.521 58.100 -0.199 0.000 1.089 29 Y CB 2.097 40.506 38.460 -0.084 0.000 1.192 29 Y HN 0.840 nan 8.280 nan 0.000 0.454 30 G N 0.486 109.170 108.800 -0.194 0.000 2.428 30 G HA2 0.534 4.494 3.960 -0.000 0.000 0.305 30 G HA3 0.534 4.494 3.960 -0.000 0.000 0.305 30 G C -2.249 172.833 174.900 0.304 0.000 1.260 30 G CA -0.747 44.398 45.100 0.075 0.000 0.853 30 G HN 0.412 nan 8.290 nan 0.000 0.480 31 V N 0.767 120.893 119.914 0.353 0.000 2.686 31 V HA 0.628 4.748 4.120 -0.000 0.000 0.306 31 V C 0.705 176.968 176.094 0.282 0.000 1.065 31 V CA -0.436 62.055 62.300 0.319 0.000 0.894 31 V CB 1.104 33.035 31.823 0.181 0.000 1.004 31 V HN 1.275 nan 8.190 nan 0.000 0.424 32 V N 2.049 122.106 119.914 0.238 0.000 3.610 32 V HA 1.108 5.228 4.120 -0.000 0.000 0.285 32 V C 0.606 176.754 176.094 0.089 0.000 1.012 32 V CA 0.460 62.828 62.300 0.114 0.000 0.975 32 V CB 1.010 32.844 31.823 0.019 0.000 1.247 32 V HN 1.857 nan 8.190 nan 0.000 0.424 33 G N -0.853 107.981 108.800 0.056 0.000 2.334 33 G HA2 0.082 4.042 3.960 -0.000 0.000 0.315 33 G HA3 0.082 4.042 3.960 -0.000 0.000 0.315 33 G C -0.966 173.983 174.900 0.082 0.000 1.284 33 G CA -0.589 44.554 45.100 0.070 0.000 0.985 33 G HN 0.997 nan 8.290 nan 0.000 0.504 34 I N 2.266 122.906 120.570 0.117 0.000 2.618 34 I HA 0.258 4.428 4.170 -0.000 0.000 0.284 34 I C -1.321 174.921 176.117 0.208 0.000 1.146 34 I CA -1.040 60.346 61.300 0.143 0.000 1.425 34 I CB 1.351 39.428 38.000 0.129 0.000 1.383 34 I HN 0.326 nan 8.210 nan 0.000 0.562 35 P HA 0.221 nan 4.420 nan 0.000 0.285 35 P C 0.064 177.426 177.300 0.103 0.000 1.758 35 P CA -0.043 63.153 63.100 0.159 0.000 1.278 35 P CB -0.018 31.812 31.700 0.216 0.000 1.620 36 I N -5.012 115.582 120.570 0.041 0.000 3.936 36 I HA 0.303 4.473 4.170 -0.000 0.000 0.330 36 I C 1.295 177.333 176.117 -0.132 0.000 1.509 36 I CA -0.150 61.099 61.300 -0.085 0.000 1.126 36 I CB -1.065 36.917 38.000 -0.029 0.000 1.115 36 I HN -0.376 nan 8.210 nan 0.000 0.424 37 T N 1.139 115.635 114.554 -0.096 0.000 2.720 37 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 37 T C 1.682 176.241 174.700 -0.235 0.000 1.037 37 T CA 2.028 64.043 62.100 -0.141 0.000 1.144 37 T CB -0.350 68.467 68.868 -0.085 0.000 0.864 37 T HN 0.436 nan 8.240 nan 0.000 0.444 38 N N 1.009 119.538 118.700 -0.284 0.000 2.331 38 N HA 0.026 4.766 4.740 -0.000 0.000 0.180 38 N C 1.719 176.859 175.510 -0.617 0.000 1.019 38 N CA 0.389 53.142 53.050 -0.495 0.000 0.881 38 N CB -0.376 37.684 38.487 -0.711 0.000 0.972 38 N HN 0.250 nan 8.380 nan 0.000 0.435 39 L N 1.248 122.205 121.223 -0.444 0.000 2.027 39 L HA 0.020 4.359 4.340 -0.000 0.000 0.206 39 L C 2.105 178.841 176.870 -0.224 0.000 1.074 39 L CA 1.460 56.146 54.840 -0.257 0.000 0.745 39 L CB -0.883 41.069 42.059 -0.178 0.000 0.898 39 L HN 0.083 nan 8.230 nan 0.000 0.433 40 A N -0.389 122.220 122.820 -0.352 0.000 1.902 40 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 40 A C 2.420 179.824 177.584 -0.299 0.000 1.181 40 A CA 1.742 53.451 52.037 -0.546 0.000 0.623 40 A CB -0.536 17.829 19.000 -1.058 0.000 0.818 40 A HN 0.501 nan 8.150 nan 0.000 0.443 41 R N -1.095 119.242 120.500 -0.272 0.000 2.082 41 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 41 R C 2.298 178.527 176.300 -0.119 0.000 1.136 41 R CA 2.004 57.994 56.100 -0.183 0.000 0.935 41 R CB -0.428 29.748 30.300 -0.207 0.000 0.842 41 R HN 0.548 nan 8.270 nan 0.000 0.430 42 M N -0.595 118.909 119.600 -0.160 0.000 2.213 42 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 42 M C 2.107 178.441 176.300 0.056 0.000 1.062 42 M CA 1.351 56.599 55.300 -0.086 0.000 1.105 42 M CB -0.318 32.157 32.600 -0.207 0.000 1.385 42 M HN 0.410 nan 8.290 nan 0.000 0.417 43 W N 1.543 122.775 121.300 -0.114 0.000 2.358 43 W HA -0.229 4.431 4.660 -0.000 0.000 0.303 43 W C 1.846 178.346 176.519 -0.032 0.000 1.208 43 W CA 1.630 58.950 57.345 -0.043 0.000 1.274 43 W CB -0.252 29.189 29.460 -0.032 0.000 1.138 43 W HN 0.316 nan 8.180 nan 0.000 0.515 44 Q N -0.030 119.806 119.800 0.060 0.000 2.083 44 Q HA -0.186 4.154 4.340 -0.000 0.000 0.198 44 Q C 1.780 177.730 176.000 -0.082 0.000 0.969 44 Q CA 1.594 57.374 55.803 -0.039 0.000 0.838 44 Q CB -0.428 28.318 28.738 0.013 0.000 0.900 44 Q HN 0.179 nan 8.270 nan 0.000 0.436 45 D N 1.015 121.382 120.400 -0.055 0.000 2.182 45 D HA -0.175 4.465 4.640 -0.000 0.000 0.201 45 D C 1.326 177.585 176.300 -0.069 0.000 0.986 45 D CA 1.036 55.005 54.000 -0.051 0.000 0.847 45 D CB -0.239 40.542 40.800 -0.030 0.000 0.942 45 D HN 0.225 nan 8.370 nan 0.000 0.467 46 D N -0.237 120.106 120.400 -0.094 0.000 2.378 46 D HA -0.052 4.588 4.640 -0.000 0.000 0.227 46 D C 1.196 177.376 176.300 -0.201 0.000 1.012 46 D CA 0.942 54.863 54.000 -0.130 0.000 0.905 46 D CB 0.210 40.927 40.800 -0.138 0.000 0.895 46 D HN 0.308 nan 8.370 nan 0.000 0.532 47 G N 0.788 109.463 108.800 -0.208 0.000 2.132 47 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.234 47 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.234 47 G C 0.136 174.858 174.900 -0.296 0.000 0.989 47 G CA -0.066 44.912 45.100 -0.202 0.000 0.676 47 G HN 0.294 nan 8.290 nan 0.000 0.522 48 Q N -0.190 119.313 119.800 -0.496 0.000 2.241 48 Q HA 0.631 4.971 4.340 -0.000 0.000 0.262 48 Q C 0.649 176.415 176.000 -0.389 0.000 1.014 48 Q CA -0.673 54.721 55.803 -0.682 0.000 0.885 48 Q CB 1.239 28.912 28.738 -1.776 0.000 1.311 48 Q HN 0.778 nan 8.270 nan 0.000 0.461 49 R N -0.185 120.231 120.500 -0.140 0.000 2.474 49 R HA 0.708 5.048 4.340 -0.000 0.000 0.295 49 R C -1.131 175.284 176.300 0.192 0.000 0.980 49 R CA -0.541 55.530 56.100 -0.047 0.000 0.934 49 R CB 0.974 31.145 30.300 -0.215 0.000 1.101 49 R HN 0.461 nan 8.270 nan 0.000 0.469 50 F N 2.776 122.677 119.950 -0.082 0.000 2.507 50 F HA 0.389 4.916 4.527 0.000 0.000 0.328 50 F C -1.556 174.127 175.800 -0.194 0.000 1.136 50 F CA -1.046 56.952 58.000 -0.004 0.000 0.930 50 F CB 1.438 40.532 39.000 0.156 0.000 1.166 50 F HN 0.499 nan 8.300 nan 0.000 0.436 51 Y N 3.823 123.838 120.300 -0.474 0.000 2.404 51 Y HA 0.363 4.913 4.550 0.000 0.000 0.344 51 Y C 0.466 176.280 175.900 -0.143 0.000 0.970 51 Y CA -0.388 57.493 58.100 -0.366 0.000 1.180 51 Y CB 1.381 39.673 38.460 -0.280 0.000 1.138 51 Y HN 0.421 nan 8.280 nan 0.000 0.510 52 S N 4.623 120.518 115.700 0.324 0.000 2.465 52 S HA 0.431 4.901 4.470 -0.000 0.000 0.279 52 S C -0.548 174.262 174.600 0.350 0.000 1.201 52 S CA -0.514 57.947 58.200 0.435 0.000 1.053 52 S CB 0.040 63.522 63.200 0.469 0.000 0.953 52 S HN 0.363 nan 8.310 nan 0.000 0.488 53 F N 1.750 121.830 119.950 0.217 0.000 2.461 53 F HA 0.528 5.055 4.527 0.000 0.000 0.337 53 F C 1.717 177.615 175.800 0.163 0.000 1.079 53 F CA -1.039 57.078 58.000 0.196 0.000 1.032 53 F CB 0.606 39.718 39.000 0.186 0.000 1.327 53 F HN 0.307 nan 8.300 nan 0.000 0.491 54 R N -0.276 120.441 120.500 0.362 0.000 2.300 54 R HA 0.094 4.434 4.340 -0.000 0.000 0.199 54 R C -0.411 176.065 176.300 0.294 0.000 0.920 54 R CA 0.423 56.668 56.100 0.242 0.000 1.046 54 R CB -0.560 29.826 30.300 0.143 0.000 0.984 54 R HN 0.492 nan 8.270 nan 0.000 0.493 55 H N -0.319 118.888 119.070 0.229 0.000 3.129 55 H HA 0.124 4.680 4.556 -0.000 0.000 0.342 55 H C -0.154 175.165 175.328 -0.015 0.000 1.092 55 H CA -0.194 55.913 56.048 0.099 0.000 1.310 55 H CB 1.531 31.356 29.762 0.106 0.000 1.932 55 H HN -0.216 nan 8.280 nan 0.000 0.507 56 E N 2.354 122.484 120.200 -0.117 0.000 2.160 56 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 56 E C 1.879 178.367 176.600 -0.187 0.000 0.991 56 E CA 1.537 57.866 56.400 -0.118 0.000 0.810 56 E CB 0.184 29.791 29.700 -0.156 0.000 0.742 56 E HN 0.620 nan 8.360 nan 0.000 0.466 57 Q N -0.135 119.610 119.800 -0.092 0.000 2.135 57 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 57 Q C 1.540 177.069 176.000 -0.785 0.000 0.981 57 Q CA 1.406 56.887 55.803 -0.537 0.000 0.856 57 Q CB 0.020 28.359 28.738 -0.665 0.000 0.902 57 Q HN 0.518 nan 8.270 nan 0.000 0.425 58 H N -0.905 118.041 119.070 -0.207 0.000 2.436 58 H HA 0.058 4.614 4.556 -0.000 0.000 0.294 58 H C 1.891 176.850 175.328 -0.615 0.000 1.048 58 H CA 1.094 57.029 56.048 -0.189 0.000 1.353 58 H CB -0.179 29.634 29.762 0.086 0.000 1.414 58 H HN 0.412 nan 8.280 nan 0.000 0.536 59 A N 1.057 123.364 122.820 -0.854 0.000 1.930 59 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 59 A C 2.793 180.032 177.584 -0.575 0.000 1.175 59 A CA 1.340 52.619 52.037 -1.263 0.000 0.627 59 A CB -0.980 17.594 19.000 -0.711 0.000 0.815 59 A HN 0.443 nan 8.150 nan 0.000 0.443 60 G N -1.602 106.959 108.800 -0.399 0.000 2.402 60 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 60 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 60 G C 1.498 176.330 174.900 -0.112 0.000 1.162 60 G CA 1.028 45.978 45.100 -0.249 0.000 0.777 60 G HN 0.626 nan 8.290 nan 0.000 0.539 61 Y N 1.012 121.259 120.300 -0.089 0.000 2.242 61 Y HA -0.033 4.517 4.550 -0.000 0.000 0.291 61 Y C 3.218 179.174 175.900 0.093 0.000 1.137 61 Y CA 0.295 58.442 58.100 0.078 0.000 1.181 61 Y CB 0.040 38.512 38.460 0.020 0.000 0.989 61 Y HN 0.294 nan 8.280 nan 0.000 0.527 62 A N 0.445 123.250 122.820 -0.026 0.000 1.877 62 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 62 A C 2.407 179.682 177.584 -0.516 0.000 1.186 62 A CA 1.791 53.626 52.037 -0.338 0.000 0.620 62 A CB -1.190 17.397 19.000 -0.687 0.000 0.822 62 A HN 0.419 nan 8.150 nan 0.000 0.443 63 A N 0.262 122.821 122.820 -0.434 0.000 1.933 63 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 63 A C 2.542 180.136 177.584 0.017 0.000 1.175 63 A CA 2.524 54.483 52.037 -0.129 0.000 0.628 63 A CB -1.029 18.006 19.000 0.058 0.000 0.814 63 A HN 1.054 nan 8.150 nan 0.000 0.444 64 S N -0.397 115.367 115.700 0.106 0.000 2.368 64 S HA -0.147 4.323 4.470 -0.000 0.000 0.225 64 S C 1.830 176.473 174.600 0.073 0.000 1.030 64 S CA 1.503 59.846 58.200 0.239 0.000 0.999 64 S CB -0.507 62.997 63.200 0.507 0.000 0.844 64 S HN 0.385 nan 8.310 nan 0.000 0.459 65 I N 2.218 122.717 120.570 -0.118 0.000 2.617 65 I HA 0.209 4.379 4.170 -0.000 0.000 0.256 65 I C 2.502 178.481 176.117 -0.230 0.000 1.167 65 I CA 0.518 61.557 61.300 -0.434 0.000 1.469 65 I CB -0.769 36.671 38.000 -0.934 0.000 1.098 65 I HN 0.374 nan 8.210 nan 0.000 0.436 66 A N 0.109 122.852 122.820 -0.129 0.000 1.933 66 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 66 A C 2.419 180.011 177.584 0.013 0.000 1.175 66 A CA 1.573 53.599 52.037 -0.018 0.000 0.628 66 A CB -1.586 17.478 19.000 0.107 0.000 0.814 66 A HN 0.455 nan 8.150 nan 0.000 0.444 67 G N -1.623 107.197 108.800 0.034 0.000 2.418 67 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 67 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 67 G C 1.543 176.503 174.900 0.101 0.000 1.158 67 G CA 1.266 46.420 45.100 0.091 0.000 0.771 67 G HN 0.595 nan 8.290 nan 0.000 0.545 68 Y N 1.479 121.633 120.300 -0.244 0.000 2.114 68 Y HA -0.082 4.468 4.550 -0.000 0.000 0.284 68 Y C 2.564 178.408 175.900 -0.092 0.000 1.143 68 Y CA 1.491 59.398 58.100 -0.322 0.000 1.135 68 Y CB -0.260 37.519 38.460 -1.135 0.000 0.980 68 Y HN 0.190 nan 8.280 nan 0.000 0.499 69 I N 0.073 120.482 120.570 -0.269 0.000 2.226 69 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 69 I C 2.069 178.043 176.117 -0.239 0.000 1.100 69 I CA 1.884 63.001 61.300 -0.304 0.000 1.374 69 I CB -0.389 37.535 38.000 -0.126 0.000 1.057 69 I HN 0.317 nan 8.210 nan 0.000 0.413 70 E N 0.098 120.219 120.200 -0.131 0.000 2.216 70 E HA 0.083 4.433 4.350 -0.000 0.000 0.192 70 E C 1.524 178.051 176.600 -0.121 0.000 0.973 70 E CA 0.655 56.997 56.400 -0.097 0.000 0.851 70 E CB 0.374 30.064 29.700 -0.018 0.000 0.804 70 E HN 0.552 nan 8.360 nan 0.000 0.477 71 G N 2.216 110.967 108.800 -0.082 0.000 2.157 71 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.239 71 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.239 71 G C 0.060 174.992 174.900 0.052 0.000 0.982 71 G CA 0.531 45.571 45.100 -0.101 0.000 0.650 71 G HN 0.292 nan 8.290 nan 0.000 0.527 72 K N 0.031 120.477 120.400 0.077 0.000 2.422 72 K HA 0.721 5.041 4.320 -0.000 0.000 0.251 72 K C -3.024 173.647 176.600 0.119 0.000 0.933 72 K CA -2.378 53.964 56.287 0.092 0.000 0.798 72 K CB 3.172 35.712 32.500 0.067 0.000 1.238 72 K HN -0.003 nan 8.250 nan 0.000 0.428 73 P HA -0.028 nan 4.420 nan 0.000 0.261 73 P C -0.034 177.348 177.300 0.138 0.000 1.183 73 P CA 0.268 63.445 63.100 0.130 0.000 0.761 73 P CB 0.611 32.382 31.700 0.118 0.000 0.785 74 G N 2.585 111.477 108.800 0.153 0.000 2.432 74 G HA2 0.420 4.380 3.960 -0.000 0.000 0.257 74 G HA3 0.420 4.380 3.960 -0.000 0.000 0.257 74 G C -0.567 174.448 174.900 0.191 0.000 1.238 74 G CA -0.399 44.823 45.100 0.202 0.000 0.838 74 G HN 0.383 nan 8.290 nan 0.000 0.547 75 V N 1.315 121.360 119.914 0.219 0.000 2.459 75 V HA 0.428 4.548 4.120 -0.000 0.000 0.295 75 V C -0.037 176.161 176.094 0.173 0.000 1.029 75 V CA -0.947 61.439 62.300 0.143 0.000 0.874 75 V CB 1.299 33.149 31.823 0.046 0.000 0.985 75 V HN 0.903 nan 8.190 nan 0.000 0.438 76 C N 6.940 126.316 119.300 0.127 0.000 2.379 76 C HA 0.833 5.293 4.460 -0.000 0.000 0.323 76 C C -0.664 174.391 174.990 0.108 0.000 1.262 76 C CA -0.567 58.513 59.018 0.103 0.000 1.581 76 C CB 0.631 28.403 27.740 0.054 0.000 2.221 76 C HN 0.858 nan 8.230 nan 0.000 0.497 77 L N 6.597 127.900 121.223 0.133 0.000 2.333 77 L HA 0.853 5.193 4.340 -0.000 0.000 0.280 77 L C 0.288 177.280 176.870 0.202 0.000 1.004 77 L CA 0.585 55.536 54.840 0.186 0.000 0.820 77 L CB 1.971 44.193 42.059 0.271 0.000 1.247 77 L HN 0.987 nan 8.230 nan 0.000 0.416 78 T N 1.715 116.383 114.554 0.190 0.000 2.812 78 T HA 0.731 5.081 4.350 -0.000 0.000 0.294 78 T C 0.074 174.882 174.700 0.180 0.000 1.159 78 T CA -0.151 62.052 62.100 0.173 0.000 1.008 78 T CB 0.967 69.922 68.868 0.144 0.000 1.289 78 T HN 0.708 nan 8.240 nan 0.000 0.514 79 V N 0.042 120.047 119.914 0.152 0.000 3.665 79 V HA 0.742 4.862 4.120 -0.000 0.000 0.279 79 V C 0.809 176.999 176.094 0.160 0.000 1.000 79 V CA -0.246 62.145 62.300 0.151 0.000 0.935 79 V CB 0.100 32.000 31.823 0.127 0.000 1.240 79 V HN 1.297 nan 8.190 nan 0.000 0.418 80 S N -0.232 115.541 115.700 0.123 0.000 2.640 80 S HA 0.628 5.098 4.470 -0.000 0.000 0.262 80 S C 1.371 176.009 174.600 0.062 0.000 1.232 80 S CA 0.046 58.294 58.200 0.080 0.000 0.988 80 S CB 0.366 63.585 63.200 0.030 0.000 1.034 80 S HN 2.336 nan 8.310 nan 0.000 0.569 81 A N 1.952 124.796 122.820 0.039 0.000 3.315 81 A HA -0.282 4.038 4.320 -0.000 0.000 0.311 81 A C 0.095 177.737 177.584 0.096 0.000 2.852 81 A CA 2.492 54.567 52.037 0.063 0.000 0.940 81 A CB -3.059 15.912 19.000 -0.049 0.000 0.861 81 A HN 0.804 nan 8.150 nan 0.000 0.392 82 P HA -0.070 nan 4.420 nan 0.000 0.218 82 P C 1.660 178.935 177.300 -0.041 0.000 1.149 82 P CA 2.212 65.297 63.100 -0.025 0.000 0.817 82 P CB -0.695 30.974 31.700 -0.051 0.000 0.785 83 G N -0.140 108.657 108.800 -0.006 0.000 2.404 83 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.215 83 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.215 83 G C 1.403 176.305 174.900 0.004 0.000 1.174 83 G CA 0.483 45.572 45.100 -0.017 0.000 0.780 83 G HN 0.237 nan 8.290 nan 0.000 0.537 84 F N 1.212 121.135 119.950 -0.046 0.000 2.134 84 F HA 0.033 4.560 4.527 -0.000 0.000 0.299 84 F C 2.286 178.023 175.800 -0.106 0.000 1.097 84 F CA 1.138 59.108 58.000 -0.050 0.000 1.264 84 F CB -0.302 38.672 39.000 -0.042 0.000 1.001 84 F HN 0.048 nan 8.300 nan 0.000 0.479 85 L N 0.367 121.352 121.223 -0.398 0.000 2.083 85 L HA -0.256 4.084 4.340 -0.000 0.000 0.209 85 L C 2.194 178.827 176.870 -0.394 0.000 1.083 85 L CA 1.369 55.913 54.840 -0.493 0.000 0.752 85 L CB -0.765 41.180 42.059 -0.190 0.000 0.899 85 L HN 0.221 nan 8.230 nan 0.000 0.433 86 N N 0.141 118.682 118.700 -0.265 0.000 2.188 86 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 86 N C 1.759 177.108 175.510 -0.268 0.000 1.018 86 N CA 1.470 54.399 53.050 -0.202 0.000 0.858 86 N CB -0.479 37.876 38.487 -0.218 0.000 0.989 86 N HN 0.332 nan 8.380 nan 0.000 0.426 87 G N 0.141 108.767 108.800 -0.290 0.000 2.421 87 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 87 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 87 G C 1.591 176.299 174.900 -0.319 0.000 1.143 87 G CA 0.243 45.184 45.100 -0.265 0.000 0.784 87 G HN 0.227 nan 8.290 nan 0.000 0.541 88 V N 1.901 121.509 119.914 -0.509 0.000 2.759 88 V HA -0.141 3.979 4.120 -0.000 0.000 0.256 88 V C 3.291 179.157 176.094 -0.381 0.000 1.080 88 V CA 2.607 64.603 62.300 -0.507 0.000 1.101 88 V CB -0.508 30.793 31.823 -0.871 0.000 0.698 88 V HN 0.645 nan 8.190 nan 0.000 0.477 89 T N -1.782 112.557 114.554 -0.358 0.000 2.788 89 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 89 T C 1.972 176.607 174.700 -0.108 0.000 1.044 89 T CA 1.813 63.769 62.100 -0.240 0.000 1.139 89 T CB -0.605 68.134 68.868 -0.215 0.000 0.867 89 T HN 0.659 nan 8.240 nan 0.000 0.454 90 S N 1.270 116.829 115.700 -0.234 0.000 2.414 90 S HA 0.099 4.569 4.470 -0.000 0.000 0.227 90 S C 1.976 176.626 174.600 0.082 0.000 1.022 90 S CA 0.486 58.593 58.200 -0.155 0.000 0.958 90 S CB -0.695 62.213 63.200 -0.486 0.000 0.797 90 S HN 0.325 nan 8.310 nan 0.000 0.493 91 L N 2.158 123.376 121.223 -0.007 0.000 2.083 91 L HA 0.202 4.542 4.340 -0.000 0.000 0.209 91 L C 2.670 179.579 176.870 0.065 0.000 1.083 91 L CA 1.601 56.470 54.840 0.047 0.000 0.752 91 L CB -1.168 40.910 42.059 0.032 0.000 0.899 91 L HN 0.376 nan 8.230 nan 0.000 0.433 92 A N -1.308 121.557 122.820 0.075 0.000 1.933 92 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 92 A C 2.257 179.817 177.584 -0.040 0.000 1.175 92 A CA 1.740 53.856 52.037 0.132 0.000 0.628 92 A CB -1.028 18.138 19.000 0.276 0.000 0.814 92 A HN 0.743 nan 8.150 nan 0.000 0.444 93 H N -0.093 118.986 119.070 0.016 0.000 2.353 93 H HA 0.079 4.635 4.556 -0.000 0.000 0.300 93 H C 2.058 177.247 175.328 -0.231 0.000 1.090 93 H CA 1.895 57.888 56.048 -0.092 0.000 1.327 93 H CB -0.248 29.682 29.762 0.280 0.000 1.383 93 H HN 0.361 nan 8.280 nan 0.000 0.508 94 A N -0.277 122.449 122.820 -0.157 0.000 1.877 94 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 94 A C 2.499 179.886 177.584 -0.328 0.000 1.186 94 A CA 2.051 53.962 52.037 -0.209 0.000 0.620 94 A CB -1.120 17.927 19.000 0.079 0.000 0.822 94 A HN 0.581 nan 8.150 nan 0.000 0.443 95 T N -0.144 114.272 114.554 -0.230 0.000 2.746 95 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 95 T C 1.962 176.444 174.700 -0.365 0.000 1.039 95 T CA 1.954 63.921 62.100 -0.221 0.000 1.142 95 T CB -0.586 68.209 68.868 -0.122 0.000 0.866 95 T HN 0.544 nan 8.240 nan 0.000 0.444 96 T N 2.207 116.424 114.554 -0.561 0.000 2.833 96 T HA -0.051 4.299 4.350 -0.000 0.000 0.269 96 T C 1.738 176.046 174.700 -0.653 0.000 1.054 96 T CA 0.824 62.498 62.100 -0.709 0.000 1.135 96 T CB -0.180 67.880 68.868 -1.346 0.000 0.869 96 T HN 0.379 nan 8.240 nan 0.000 0.466 97 N N -0.060 118.144 118.700 -0.826 0.000 2.280 97 N HA 0.076 4.816 4.740 -0.000 0.000 0.192 97 N C 0.106 175.117 175.510 -0.832 0.000 1.109 97 N CA 0.190 52.644 53.050 -0.994 0.000 0.855 97 N CB 0.041 37.475 38.487 -1.755 0.000 0.974 97 N HN 0.311 nan 8.380 nan 0.000 0.482 98 C N 0.787 119.770 119.300 -0.528 0.000 4.529 98 C HA -0.172 4.288 4.460 -0.000 0.000 0.296 98 C C 0.180 175.093 174.990 -0.128 0.000 1.353 98 C CA -0.383 58.465 59.018 -0.282 0.000 2.011 98 C CB -3.299 24.311 27.740 -0.217 0.000 1.235 98 C HN 0.298 nan 8.230 nan 0.000 0.784 99 F N 2.297 122.109 119.950 -0.230 0.000 2.408 99 F HA 0.436 4.963 4.527 -0.000 0.000 0.344 99 F C -1.342 174.405 175.800 -0.089 0.000 1.112 99 F CA -2.554 55.346 58.000 -0.166 0.000 1.096 99 F CB 1.402 40.351 39.000 -0.085 0.000 1.129 99 F HN -0.002 nan 8.300 nan 0.000 0.486 100 P HA 0.093 nan 4.420 nan 0.000 0.271 100 P C -0.884 176.505 177.300 0.149 0.000 1.226 100 P CA -0.015 63.164 63.100 0.132 0.000 0.765 100 P CB 1.588 33.386 31.700 0.163 0.000 0.835 101 M N 4.211 123.891 119.600 0.134 0.000 2.471 101 M HA 0.462 4.942 4.480 -0.000 0.000 0.284 101 M C -2.037 174.343 176.300 0.133 0.000 1.203 101 M CA -0.837 54.545 55.300 0.138 0.000 0.915 101 M CB 2.152 34.840 32.600 0.146 0.000 1.734 101 M HN 0.138 nan 8.290 nan 0.000 0.485 102 I N 4.487 125.136 120.570 0.132 0.000 2.447 102 I HA 0.364 4.534 4.170 -0.000 0.000 0.287 102 I C -1.385 174.818 176.117 0.142 0.000 1.023 102 I CA -0.890 60.490 61.300 0.133 0.000 1.083 102 I CB 2.033 40.095 38.000 0.103 0.000 1.245 102 I HN 0.552 nan 8.210 nan 0.000 0.434 103 L N 8.305 129.645 121.223 0.195 0.000 2.265 103 L HA 0.510 4.850 4.340 -0.000 0.000 0.289 103 L C -1.047 175.970 176.870 0.245 0.000 1.033 103 L CA -0.023 54.965 54.840 0.247 0.000 0.814 103 L CB 0.726 42.992 42.059 0.344 0.000 1.203 103 L HN 0.437 nan 8.230 nan 0.000 0.423 104 L N 4.993 126.320 121.223 0.173 0.000 2.272 104 L HA 0.570 4.910 4.340 -0.000 0.000 0.289 104 L C -0.153 176.841 176.870 0.208 0.000 1.032 104 L CA -0.220 54.687 54.840 0.112 0.000 0.810 104 L CB 1.331 43.432 42.059 0.069 0.000 1.205 104 L HN 0.629 nan 8.230 nan 0.000 0.422 105 S N 1.201 117.042 115.700 0.235 0.000 2.538 105 S HA 0.600 5.070 4.470 -0.000 0.000 0.288 105 S C 0.143 174.869 174.600 0.210 0.000 1.108 105 S CA -0.679 57.706 58.200 0.309 0.000 0.971 105 S CB 2.045 65.578 63.200 0.554 0.000 1.041 105 S HN 0.736 nan 8.310 nan 0.000 0.483 106 G N 1.703 110.633 108.800 0.218 0.000 2.467 106 G HA2 0.511 4.471 3.960 -0.000 0.000 0.257 106 G HA3 0.511 4.471 3.960 -0.000 0.000 0.257 106 G C -0.068 174.910 174.900 0.131 0.000 1.227 106 G CA -0.287 44.942 45.100 0.214 0.000 0.835 106 G HN 0.786 nan 8.290 nan 0.000 0.556 107 S N 0.209 115.955 115.700 0.077 0.000 2.704 107 S HA 0.790 5.260 4.470 -0.000 0.000 0.296 107 S C 0.249 174.875 174.600 0.044 0.000 1.138 107 S CA -0.618 57.599 58.200 0.028 0.000 0.875 107 S CB 1.810 64.995 63.200 -0.025 0.000 1.151 107 S HN 0.586 nan 8.310 nan 0.000 0.500 108 S N 0.313 116.034 115.700 0.034 0.000 2.397 108 S HA 0.432 4.902 4.470 -0.000 0.000 0.261 108 S C -0.102 174.514 174.600 0.026 0.000 1.187 108 S CA -0.506 57.729 58.200 0.059 0.000 1.023 108 S CB -0.283 62.961 63.200 0.074 0.000 1.103 108 S HN 0.867 nan 8.310 nan 0.000 0.474 109 E N 0.627 120.846 120.200 0.032 0.000 2.257 109 E HA 0.203 4.553 4.350 -0.000 0.000 0.278 109 E C 0.807 177.407 176.600 0.001 0.000 1.049 109 E CA -0.181 56.227 56.400 0.013 0.000 0.876 109 E CB 0.672 30.385 29.700 0.022 0.000 1.035 109 E HN 0.444 nan 8.360 nan 0.000 0.419 110 R N 3.929 124.422 120.500 -0.012 0.000 2.094 110 R HA -0.217 4.123 4.340 -0.000 0.000 0.239 110 R C 1.280 177.575 176.300 -0.008 0.000 1.137 110 R CA 2.464 58.555 56.100 -0.015 0.000 0.943 110 R CB -0.123 30.164 30.300 -0.022 0.000 0.850 110 R HN 0.747 nan 8.270 nan 0.000 0.433 111 E N -0.344 119.853 120.200 -0.006 0.000 2.085 111 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 111 E C 1.987 178.589 176.600 0.002 0.000 0.994 111 E CA 1.817 58.216 56.400 -0.002 0.000 0.801 111 E CB -0.147 29.552 29.700 -0.001 0.000 0.743 111 E HN 0.437 nan 8.360 nan 0.000 0.453 112 I N 0.136 120.710 120.570 0.006 0.000 2.233 112 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 112 I C 2.264 178.385 176.117 0.008 0.000 1.093 112 I CA 0.579 61.886 61.300 0.011 0.000 1.380 112 I CB -0.179 37.833 38.000 0.021 0.000 1.067 112 I HN -0.004 nan 8.210 nan 0.000 0.413 113 V N 0.897 120.813 119.914 0.004 0.000 2.343 113 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 113 V C 1.922 178.013 176.094 -0.004 0.000 1.051 113 V CA 1.964 64.263 62.300 -0.002 0.000 1.036 113 V CB -0.702 31.115 31.823 -0.010 0.000 0.654 113 V HN 0.367 nan 8.190 nan 0.000 0.451 114 D N -0.206 120.192 120.400 -0.005 0.000 2.263 114 D HA -0.074 4.566 4.640 -0.000 0.000 0.208 114 D C 1.662 177.960 176.300 -0.002 0.000 0.971 114 D CA 1.042 55.039 54.000 -0.005 0.000 0.867 114 D CB -0.027 40.770 40.800 -0.005 0.000 0.929 114 D HN 0.356 nan 8.370 nan 0.000 0.492 115 L N -0.198 121.025 121.223 -0.000 0.000 2.728 115 L HA 0.142 4.482 4.340 -0.000 0.000 0.238 115 L C -0.114 176.757 176.870 0.002 0.000 1.143 115 L CA 0.007 54.848 54.840 0.001 0.000 0.937 115 L CB 0.056 42.117 42.059 0.002 0.000 1.225 115 L HN -0.101 nan 8.230 nan 0.000 0.507 116 Q N 0.537 120.338 119.800 0.001 0.000 2.443 116 Q HA -0.287 4.053 4.340 -0.000 0.000 0.337 116 Q C 0.549 176.551 176.000 0.005 0.000 1.401 116 Q CA 0.394 56.198 55.803 0.002 0.000 0.943 116 Q CB -1.308 27.430 28.738 0.000 0.000 1.177 116 Q HN 0.596 nan 8.270 nan 0.000 0.394 117 Q N -0.451 119.353 119.800 0.008 0.000 2.360 117 Q HA 0.182 4.522 4.340 -0.000 0.000 0.202 117 Q C 1.065 177.075 176.000 0.016 0.000 0.915 117 Q CA 0.446 56.256 55.803 0.011 0.000 0.943 117 Q CB 0.795 29.541 28.738 0.013 0.000 1.064 117 Q HN 0.701 nan 8.270 nan 0.000 0.511 118 G N 2.364 111.173 108.800 0.015 0.000 2.270 118 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.224 118 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.224 118 G C -0.530 174.391 174.900 0.035 0.000 1.079 118 G CA -0.030 45.081 45.100 0.019 0.000 0.807 118 G HN 0.308 nan 8.290 nan 0.000 0.492 119 D N -0.893 119.528 120.400 0.035 0.000 2.361 119 D HA 0.325 4.965 4.640 -0.000 0.000 0.239 119 D C 0.817 177.171 176.300 0.090 0.000 1.200 119 D CA -0.355 53.685 54.000 0.066 0.000 0.915 119 D CB 0.250 41.082 40.800 0.052 0.000 1.170 119 D HN 0.302 nan 8.370 nan 0.000 0.444 120 Y N 1.708 122.017 120.300 0.015 0.000 2.717 120 Y HA 0.022 4.572 4.550 0.000 0.000 0.330 120 Y C 0.629 176.542 175.900 0.022 0.000 1.217 120 Y CA 0.432 58.543 58.100 0.019 0.000 1.506 120 Y CB -0.125 38.349 38.460 0.023 0.000 1.268 120 Y HN 0.598 nan 8.280 nan 0.000 0.561 121 E N 2.671 122.505 120.200 -0.610 0.000 2.199 121 E HA -0.360 3.990 4.350 -0.000 0.000 0.208 121 E C -0.347 176.145 176.600 -0.181 0.000 1.310 121 E CA 0.916 57.039 56.400 -0.461 0.000 0.709 121 E CB -0.799 28.520 29.700 -0.636 0.000 1.127 121 E HN 0.748 nan 8.360 nan 0.000 0.354 122 E N 0.928 121.066 120.200 -0.104 0.000 2.338 122 E HA 0.402 4.752 4.350 -0.000 0.000 0.272 122 E C -0.080 176.494 176.600 -0.043 0.000 1.029 122 E CA 0.034 56.405 56.400 -0.049 0.000 0.872 122 E CB 0.712 30.399 29.700 -0.022 0.000 1.015 122 E HN 0.311 nan 8.360 nan 0.000 0.417 123 M N 3.775 123.350 119.600 -0.043 0.000 2.689 123 M HA 0.045 4.525 4.480 -0.000 0.000 0.274 123 M C -2.181 174.076 176.300 -0.072 0.000 0.962 123 M CA -0.619 54.655 55.300 -0.043 0.000 0.838 123 M CB 1.614 34.196 32.600 -0.029 0.000 1.784 123 M HN 0.496 nan 8.290 nan 0.000 0.568 124 D N 3.782 124.148 120.400 -0.057 0.000 2.522 124 D HA 0.209 4.849 4.640 -0.000 0.000 0.218 124 D C 0.555 176.784 176.300 -0.118 0.000 1.149 124 D CA 0.262 54.222 54.000 -0.065 0.000 0.981 124 D CB 0.733 41.514 40.800 -0.031 0.000 1.041 124 D HN 0.708 nan 8.370 nan 0.000 0.518 125 Q N 2.025 121.666 119.800 -0.266 0.000 2.124 125 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 125 Q C 2.003 177.768 176.000 -0.393 0.000 0.977 125 Q CA 1.134 56.529 55.803 -0.680 0.000 0.850 125 Q CB 0.127 28.115 28.738 -1.250 0.000 0.901 125 Q HN 0.548 nan 8.270 nan 0.000 0.429 126 M N 0.856 120.435 119.600 -0.036 0.000 2.108 126 M HA -0.237 4.243 4.480 -0.000 0.000 0.261 126 M C 1.740 178.078 176.300 0.064 0.000 1.066 126 M CA 1.864 57.257 55.300 0.155 0.000 1.107 126 M CB -0.042 32.624 32.600 0.110 0.000 1.356 126 M HN 0.152 nan 8.290 nan 0.000 0.406 127 N N -0.496 118.211 118.700 0.011 0.000 2.250 127 N HA -0.098 4.642 4.740 -0.000 0.000 0.181 127 N C 1.293 176.818 175.510 0.025 0.000 1.017 127 N CA 1.306 54.363 53.050 0.011 0.000 0.866 127 N CB -0.131 38.356 38.487 0.001 0.000 0.985 127 N HN 0.232 nan 8.380 nan 0.000 0.429 128 V N 0.472 120.416 119.914 0.050 0.000 2.626 128 V HA -0.082 4.038 4.120 -0.000 0.000 0.252 128 V C 2.153 178.363 176.094 0.193 0.000 1.067 128 V CA 1.675 64.053 62.300 0.129 0.000 1.081 128 V CB -0.916 31.040 31.823 0.222 0.000 0.686 128 V HN 0.493 nan 8.190 nan 0.000 0.468 129 A N -0.580 122.352 122.820 0.187 0.000 2.123 129 A HA -0.044 4.275 4.320 -0.000 0.000 0.214 129 A C 2.231 179.861 177.584 0.076 0.000 1.152 129 A CA 0.375 52.526 52.037 0.189 0.000 0.728 129 A CB -0.284 18.748 19.000 0.053 0.000 0.814 129 A HN 0.373 nan 8.150 nan 0.000 0.464 130 R N 0.493 120.997 120.500 0.006 0.000 2.162 130 R HA -0.187 4.153 4.340 -0.000 0.000 0.245 130 R C -0.611 175.608 176.300 -0.134 0.000 1.129 130 R CA 2.165 58.231 56.100 -0.056 0.000 0.940 130 R CB -2.354 27.911 30.300 -0.059 0.000 0.875 130 R HN 0.497 nan 8.270 nan 0.000 0.437 131 P HA -0.079 nan 4.420 nan 0.000 0.230 131 P C 0.389 177.448 177.300 -0.402 0.000 1.158 131 P CA 1.320 64.194 63.100 -0.376 0.000 0.769 131 P CB -0.109 31.311 31.700 -0.467 0.000 0.807 132 H N -1.162 117.921 119.070 0.021 0.000 2.652 132 H HA 0.218 4.774 4.556 -0.000 0.000 0.274 132 H C 1.049 176.381 175.328 0.006 0.000 1.021 132 H CA -0.073 55.989 56.048 0.024 0.000 1.187 132 H CB -0.050 29.721 29.762 0.015 0.000 1.505 132 H HN 0.284 nan 8.280 nan 0.000 0.530 133 C N -1.375 117.963 119.300 0.063 0.000 3.291 133 C HA 0.409 4.869 4.460 -0.000 0.000 0.316 133 C C 1.498 176.487 174.990 -0.001 0.000 1.391 133 C CA -1.053 57.993 59.018 0.048 0.000 1.394 133 C CB 2.628 30.427 27.740 0.098 0.000 1.744 133 C HN 0.077 nan 8.230 nan 0.000 0.461 134 K N 0.736 121.136 120.400 0.001 0.000 2.097 134 K HA 0.305 4.625 4.320 -0.000 0.000 0.205 134 K C 0.741 177.309 176.600 -0.053 0.000 1.050 134 K CA 1.841 58.120 56.287 -0.014 0.000 0.938 134 K CB -0.007 32.502 32.500 0.014 0.000 0.718 134 K HN 0.947 nan 8.250 nan 0.000 0.442 135 A N 0.362 123.124 122.820 -0.096 0.000 2.589 135 A HA 0.399 4.719 4.320 -0.000 0.000 0.296 135 A C -1.366 175.980 177.584 -0.396 0.000 1.062 135 A CA -0.628 51.215 52.037 -0.323 0.000 0.686 135 A CB 2.001 20.726 19.000 -0.460 0.000 1.282 135 A HN -0.070 nan 8.150 nan 0.000 0.404 136 S N 1.406 116.810 115.700 -0.494 0.000 2.640 136 S HA 0.787 5.257 4.470 -0.000 0.000 0.320 136 S C -1.084 173.290 174.600 -0.378 0.000 1.097 136 S CA -0.349 57.720 58.200 -0.219 0.000 1.092 136 S CB -0.294 62.931 63.200 0.042 0.000 0.988 136 S HN 0.475 nan 8.310 nan 0.000 0.470 137 F N 2.694 122.653 119.950 0.014 0.000 2.557 137 F HA 0.694 5.221 4.527 -0.000 0.000 0.336 137 F C 0.577 176.308 175.800 -0.114 0.000 1.058 137 F CA -1.184 56.792 58.000 -0.041 0.000 0.988 137 F CB 1.364 40.333 39.000 -0.052 0.000 1.275 137 F HN 0.408 nan 8.300 nan 0.000 0.488 138 R N 1.293 121.873 120.500 0.134 0.000 2.564 138 R HA 0.589 4.929 4.340 -0.000 0.000 0.284 138 R C -2.063 174.225 176.300 -0.020 0.000 1.031 138 R CA -0.478 55.620 56.100 -0.004 0.000 0.904 138 R CB 1.442 31.738 30.300 -0.008 0.000 1.199 138 R HN 0.762 nan 8.270 nan 0.000 0.443 139 I N 4.935 125.457 120.570 -0.080 0.000 2.330 139 I HA 0.198 4.368 4.170 -0.000 0.000 0.286 139 I C 0.046 176.088 176.117 -0.125 0.000 1.025 139 I CA -0.519 60.723 61.300 -0.097 0.000 1.197 139 I CB 1.643 39.573 38.000 -0.116 0.000 1.358 139 I HN 0.739 nan 8.210 nan 0.000 0.467 140 N N 2.392 121.035 118.700 -0.096 0.000 2.402 140 N HA -0.018 4.722 4.740 -0.000 0.000 0.174 140 N C 0.491 175.936 175.510 -0.108 0.000 1.027 140 N CA 0.210 53.197 53.050 -0.105 0.000 0.891 140 N CB 0.377 38.823 38.487 -0.069 0.000 1.016 140 N HN 0.444 nan 8.380 nan 0.000 0.439 141 S N -0.306 115.343 115.700 -0.086 0.000 2.501 141 S HA 0.340 4.810 4.470 -0.000 0.000 0.301 141 S C 0.952 175.508 174.600 -0.073 0.000 1.096 141 S CA -0.778 57.379 58.200 -0.073 0.000 1.063 141 S CB 0.812 63.985 63.200 -0.046 0.000 1.042 141 S HN 0.242 nan 8.310 nan 0.000 0.494 142 I N 4.747 125.276 120.570 -0.068 0.000 2.264 142 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 142 I C 2.308 178.412 176.117 -0.022 0.000 1.111 142 I CA 1.913 63.182 61.300 -0.051 0.000 1.382 142 I CB -0.166 37.813 38.000 -0.034 0.000 1.060 142 I HN 0.882 nan 8.210 nan 0.000 0.418 143 K N -0.500 119.892 120.400 -0.014 0.000 2.362 143 K HA -0.154 4.166 4.320 -0.000 0.000 0.200 143 K C 0.853 177.457 176.600 0.007 0.000 1.046 143 K CA 1.532 57.821 56.287 0.003 0.000 0.952 143 K CB -0.215 32.287 32.500 0.003 0.000 0.753 143 K HN 0.318 nan 8.250 nan 0.000 0.466 144 D N 0.826 121.218 120.400 -0.012 0.000 2.349 144 D HA 0.132 4.772 4.640 -0.000 0.000 0.214 144 D C 1.640 177.924 176.300 -0.027 0.000 1.063 144 D CA 0.095 54.086 54.000 -0.014 0.000 0.847 144 D CB 0.152 40.933 40.800 -0.032 0.000 0.933 144 D HN 0.252 nan 8.370 nan 0.000 0.513 145 I N 1.591 122.144 120.570 -0.028 0.000 2.163 145 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 145 I C -0.580 175.510 176.117 -0.045 0.000 1.085 145 I CA 1.338 62.614 61.300 -0.039 0.000 1.347 145 I CB -1.273 36.714 38.000 -0.021 0.000 1.044 145 I HN -0.022 nan 8.210 nan 0.000 0.408 146 P HA -0.185 nan 4.420 nan 0.000 0.215 146 P C 1.852 179.091 177.300 -0.101 0.000 1.157 146 P CA 1.465 64.518 63.100 -0.079 0.000 0.868 146 P CB 0.016 31.744 31.700 0.045 0.000 0.788 147 I N -0.945 119.674 120.570 0.082 0.000 2.315 147 I HA -0.096 4.074 4.170 -0.000 0.000 0.248 147 I C 2.342 178.419 176.117 -0.066 0.000 1.117 147 I CA 1.862 63.234 61.300 0.120 0.000 1.404 147 I CB -1.893 36.174 38.000 0.112 0.000 1.071 147 I HN 0.017 nan 8.210 nan 0.000 0.419 148 G N 1.417 110.148 108.800 -0.116 0.000 2.421 148 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 148 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 148 G C 1.601 176.374 174.900 -0.212 0.000 1.171 148 G CA 0.276 45.249 45.100 -0.212 0.000 0.775 148 G HN 0.179 nan 8.290 nan 0.000 0.543 149 I N 1.889 122.371 120.570 -0.148 0.000 2.315 149 I HA -0.082 4.088 4.170 -0.000 0.000 0.248 149 I C 3.235 179.273 176.117 -0.132 0.000 1.117 149 I CA 1.049 62.276 61.300 -0.121 0.000 1.404 149 I CB -1.296 36.644 38.000 -0.101 0.000 1.071 149 I HN 0.257 nan 8.210 nan 0.000 0.419 150 A N 1.023 123.736 122.820 -0.178 0.000 1.877 150 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 150 A C 2.463 180.002 177.584 -0.076 0.000 1.186 150 A CA 1.290 53.243 52.037 -0.140 0.000 0.620 150 A CB -0.533 18.384 19.000 -0.138 0.000 0.822 150 A HN 0.308 nan 8.150 nan 0.000 0.443 151 R N -0.572 119.841 120.500 -0.146 0.000 2.081 151 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 151 R C 2.498 178.723 176.300 -0.123 0.000 1.131 151 R CA 1.267 57.238 56.100 -0.215 0.000 0.960 151 R CB -0.589 29.362 30.300 -0.581 0.000 0.856 151 R HN 0.535 nan 8.270 nan 0.000 0.436 152 A N 0.842 123.588 122.820 -0.123 0.000 1.877 152 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 152 A C 2.441 180.079 177.584 0.089 0.000 1.186 152 A CA 1.476 53.557 52.037 0.074 0.000 0.620 152 A CB -0.650 18.380 19.000 0.050 0.000 0.822 152 A HN 0.104 nan 8.150 nan 0.000 0.443 153 V N -0.037 119.899 119.914 0.036 0.000 2.261 153 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 153 V C 2.676 178.811 176.094 0.068 0.000 1.047 153 V CA 2.328 64.658 62.300 0.051 0.000 1.015 153 V CB -0.818 31.018 31.823 0.022 0.000 0.642 153 V HN 0.519 nan 8.190 nan 0.000 0.446 154 R N -0.347 120.187 120.500 0.058 0.000 2.083 154 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 154 R C 2.393 178.749 176.300 0.093 0.000 1.137 154 R CA 2.051 58.194 56.100 0.072 0.000 0.951 154 R CB -0.755 29.584 30.300 0.065 0.000 0.851 154 R HN 0.522 nan 8.270 nan 0.000 0.434 155 T N 0.650 115.277 114.554 0.122 0.000 2.788 155 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 155 T C 1.854 176.625 174.700 0.119 0.000 1.044 155 T CA 1.353 63.541 62.100 0.146 0.000 1.139 155 T CB -0.169 68.846 68.868 0.246 0.000 0.867 155 T HN 0.384 nan 8.240 nan 0.000 0.454 156 A N 1.218 124.110 122.820 0.120 0.000 1.898 156 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 156 A C 2.571 180.215 177.584 0.101 0.000 1.181 156 A CA 1.668 53.769 52.037 0.107 0.000 0.620 156 A CB -0.635 18.434 19.000 0.115 0.000 0.819 156 A HN 0.501 nan 8.150 nan 0.000 0.442 157 V N -2.048 117.931 119.914 0.108 0.000 3.307 157 V HA 0.148 4.268 4.120 -0.000 0.000 0.253 157 V C 1.117 177.281 176.094 0.117 0.000 1.149 157 V CA 0.705 63.082 62.300 0.129 0.000 1.112 157 V CB -0.946 30.954 31.823 0.129 0.000 0.777 157 V HN 0.544 nan 8.190 nan 0.000 0.464 158 S N 0.290 116.045 115.700 0.092 0.000 2.632 158 S HA 0.679 5.149 4.470 -0.000 0.000 0.267 158 S C 0.998 175.639 174.600 0.068 0.000 1.276 158 S CA 0.337 58.585 58.200 0.079 0.000 0.998 158 S CB 0.759 64.001 63.200 0.070 0.000 0.953 158 S HN 1.882 nan 8.310 nan 0.000 0.547 159 G N 1.649 110.484 108.800 0.059 0.000 2.596 159 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.295 159 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.295 159 G C -0.090 174.835 174.900 0.041 0.000 1.240 159 G CA 0.425 45.552 45.100 0.045 0.000 0.985 159 G HN 1.129 nan 8.290 nan 0.000 0.555 160 R N 1.709 122.220 120.500 0.019 0.000 2.248 160 R HA 0.450 4.790 4.340 -0.000 0.000 0.328 160 R C -2.283 174.009 176.300 -0.013 0.000 1.067 160 R CA -1.220 54.878 56.100 -0.004 0.000 0.924 160 R CB 0.503 30.788 30.300 -0.025 0.000 1.013 160 R HN 0.276 nan 8.270 nan 0.000 0.454 161 P HA 0.155 nan 4.420 nan 0.000 0.267 161 P C -0.523 176.746 177.300 -0.052 0.000 1.200 161 P CA 0.036 63.116 63.100 -0.033 0.000 0.772 161 P CB 1.213 32.837 31.700 -0.126 0.000 0.855 162 G N 0.306 109.102 108.800 -0.007 0.000 2.489 162 G HA2 0.553 4.513 3.960 -0.000 0.000 0.305 162 G HA3 0.553 4.513 3.960 -0.000 0.000 0.305 162 G C -0.959 173.961 174.900 0.034 0.000 1.311 162 G CA -0.336 44.752 45.100 -0.019 0.000 0.813 162 G HN 0.594 nan 8.290 nan 0.000 0.480 163 G N -1.497 107.321 108.800 0.030 0.000 2.448 163 G HA2 0.597 4.557 3.960 -0.000 0.000 0.285 163 G HA3 0.597 4.557 3.960 -0.000 0.000 0.285 163 G C -0.947 174.012 174.900 0.099 0.000 1.176 163 G CA -0.246 44.900 45.100 0.077 0.000 0.852 163 G HN 1.082 nan 8.290 nan 0.000 0.530 164 V N 1.265 121.264 119.914 0.141 0.000 2.760 164 V HA 0.348 4.468 4.120 -0.000 0.000 0.309 164 V C -1.393 174.842 176.094 0.236 0.000 1.077 164 V CA -0.863 61.537 62.300 0.167 0.000 0.910 164 V CB 1.851 33.792 31.823 0.198 0.000 1.008 164 V HN 0.748 nan 8.190 nan 0.000 0.424 165 Y N 4.193 124.556 120.300 0.105 0.000 2.341 165 Y HA 0.759 5.309 4.550 -0.000 0.000 0.337 165 Y C -0.633 175.366 175.900 0.164 0.000 1.014 165 Y CA -0.998 57.188 58.100 0.144 0.000 1.111 165 Y CB 1.890 40.449 38.460 0.166 0.000 1.194 165 Y HN 0.354 nan 8.280 nan 0.000 0.462 166 V N 6.468 125.994 119.914 -0.647 0.000 2.409 166 V HA 0.173 4.293 4.120 -0.000 0.000 0.290 166 V C -0.923 174.678 176.094 -0.821 0.000 1.017 166 V CA -0.966 61.029 62.300 -0.508 0.000 0.841 166 V CB 1.375 33.109 31.823 -0.148 0.000 1.003 166 V HN 0.794 nan 8.190 nan 0.000 0.426 167 D N 4.396 124.338 120.400 -0.763 0.000 2.312 167 D HA 0.476 5.115 4.640 -0.000 0.000 0.252 167 D C -0.480 175.697 176.300 -0.205 0.000 1.150 167 D CA 0.002 53.752 54.000 -0.416 0.000 0.870 167 D CB 0.907 41.610 40.800 -0.162 0.000 1.153 167 D HN 0.458 nan 8.370 nan 0.000 0.457 168 L N 6.613 127.760 121.223 -0.128 0.000 2.384 168 L HA 0.387 4.727 4.340 -0.000 0.000 0.261 168 L C -2.083 174.660 176.870 -0.211 0.000 1.024 168 L CA -1.928 52.802 54.840 -0.183 0.000 0.899 168 L CB 1.341 43.353 42.059 -0.078 0.000 1.243 168 L HN 0.313 nan 8.230 nan 0.000 0.449 169 P HA -0.026 nan 4.420 nan 0.000 0.266 169 P C 0.702 177.842 177.300 -0.267 0.000 1.195 169 P CA 0.009 63.007 63.100 -0.171 0.000 0.768 169 P CB 1.547 33.160 31.700 -0.144 0.000 0.838 170 A N 4.552 127.322 122.820 -0.083 0.000 1.958 170 A HA -0.239 4.081 4.320 -0.000 0.000 0.221 170 A C 2.006 179.526 177.584 -0.107 0.000 1.178 170 A CA 1.776 53.819 52.037 0.011 0.000 0.642 170 A CB -1.120 17.944 19.000 0.107 0.000 0.816 170 A HN 0.569 nan 8.150 nan 0.000 0.453 171 K N -0.956 119.364 120.400 -0.133 0.000 2.442 171 K HA -0.046 4.274 4.320 -0.000 0.000 0.198 171 K C 1.693 178.153 176.600 -0.234 0.000 1.042 171 K CA 0.788 56.996 56.287 -0.132 0.000 0.958 171 K CB -0.275 32.171 32.500 -0.089 0.000 0.766 171 K HN 0.453 nan 8.250 nan 0.000 0.474 172 L N 0.434 121.397 121.223 -0.435 0.000 1.994 172 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 172 L C 1.696 178.262 176.870 -0.507 0.000 1.071 172 L CA 1.702 56.230 54.840 -0.521 0.000 0.745 172 L CB -0.490 41.120 42.059 -0.748 0.000 0.892 172 L HN 0.065 nan 8.230 nan 0.000 0.431 173 F N -0.240 119.474 119.950 -0.393 0.000 2.161 173 F HA -0.123 4.404 4.527 0.000 0.000 0.300 173 F C 2.373 177.854 175.800 -0.530 0.000 1.089 173 F CA 0.907 58.444 58.000 -0.771 0.000 1.282 173 F CB -1.184 36.917 39.000 -1.499 0.000 1.010 173 F HN 0.240 nan 8.300 nan 0.000 0.485 174 G N -0.649 108.075 108.800 -0.127 0.000 2.534 174 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.217 174 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.217 174 G C 0.589 175.481 174.900 -0.014 0.000 1.128 174 G CA -0.170 44.919 45.100 -0.018 0.000 0.784 174 G HN 0.270 nan 8.290 nan 0.000 0.542 175 Q N 0.613 120.380 119.800 -0.055 0.000 2.432 175 Q HA 0.383 4.723 4.340 -0.000 0.000 0.264 175 Q C 0.253 176.255 176.000 0.004 0.000 1.035 175 Q CA 0.453 56.236 55.803 -0.033 0.000 0.908 175 Q CB 0.679 29.380 28.738 -0.061 0.000 1.280 175 Q HN 0.335 nan 8.270 nan 0.000 0.455 176 T N -0.984 113.579 114.554 0.016 0.000 2.916 176 T HA 0.837 5.187 4.350 -0.000 0.000 0.292 176 T C -0.585 174.132 174.700 0.029 0.000 1.055 176 T CA -0.835 61.287 62.100 0.037 0.000 1.009 176 T CB 1.363 70.257 68.868 0.044 0.000 1.118 176 T HN 0.597 nan 8.240 nan 0.000 0.497 177 I N 0.965 121.558 120.570 0.038 0.000 2.908 177 I HA 0.452 4.622 4.170 -0.000 0.000 0.300 177 I C -0.274 175.864 176.117 0.035 0.000 1.385 177 I CA -0.776 60.543 61.300 0.031 0.000 1.004 177 I CB 2.346 40.363 38.000 0.029 0.000 1.309 177 I HN 1.090 nan 8.210 nan 0.000 0.449 178 S N 3.854 119.571 115.700 0.028 0.000 2.579 178 S HA 0.156 4.626 4.470 -0.000 0.000 0.275 178 S C 0.966 175.583 174.600 0.029 0.000 1.345 178 S CA -0.524 57.691 58.200 0.026 0.000 1.031 178 S CB 1.538 64.750 63.200 0.019 0.000 0.892 178 S HN 0.454 nan 8.310 nan 0.000 0.529 179 V N 2.096 122.025 119.914 0.025 0.000 2.343 179 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 179 V C 2.741 178.848 176.094 0.022 0.000 1.051 179 V CA 2.247 64.561 62.300 0.024 0.000 1.036 179 V CB -1.335 30.496 31.823 0.013 0.000 0.654 179 V HN 1.071 nan 8.190 nan 0.000 0.451 180 E N 0.215 120.426 120.200 0.018 0.000 2.049 180 E HA -0.283 4.067 4.350 -0.000 0.000 0.198 180 E C 2.207 178.820 176.600 0.022 0.000 1.007 180 E CA 1.761 58.171 56.400 0.017 0.000 0.809 180 E CB -0.056 29.652 29.700 0.014 0.000 0.749 180 E HN 0.580 nan 8.360 nan 0.000 0.450 181 E N 0.359 120.573 120.200 0.022 0.000 2.077 181 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 181 E C 1.999 178.619 176.600 0.033 0.000 0.989 181 E CA 1.041 57.455 56.400 0.024 0.000 0.800 181 E CB -0.533 29.179 29.700 0.021 0.000 0.746 181 E HN 0.415 nan 8.360 nan 0.000 0.452 182 A N 1.787 124.629 122.820 0.036 0.000 1.883 182 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 182 A C 1.985 179.599 177.584 0.050 0.000 1.186 182 A CA 1.930 53.994 52.037 0.046 0.000 0.624 182 A CB -1.003 18.027 19.000 0.049 0.000 0.822 182 A HN 0.331 nan 8.150 nan 0.000 0.444 183 N N -1.056 117.669 118.700 0.042 0.000 2.364 183 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 183 N C 1.758 177.298 175.510 0.051 0.000 1.022 183 N CA 1.133 54.209 53.050 0.043 0.000 0.883 183 N CB -0.094 38.411 38.487 0.031 0.000 0.965 183 N HN 0.550 nan 8.380 nan 0.000 0.438 184 K N 0.872 121.300 120.400 0.046 0.000 2.296 184 K HA 0.046 4.366 4.320 -0.000 0.000 0.200 184 K C 1.597 178.236 176.600 0.065 0.000 1.048 184 K CA 0.445 56.759 56.287 0.044 0.000 0.966 184 K CB 0.260 32.777 32.500 0.028 0.000 0.754 184 K HN 0.144 nan 8.250 nan 0.000 0.466 185 L N 0.683 121.955 121.223 0.082 0.000 2.249 185 L HA 0.102 4.442 4.340 -0.000 0.000 0.207 185 L C 0.569 177.573 176.870 0.222 0.000 1.090 185 L CA -0.072 54.843 54.840 0.125 0.000 0.802 185 L CB 0.028 42.144 42.059 0.095 0.000 0.947 185 L HN 0.069 nan 8.230 nan 0.000 0.453 186 L N 1.498 122.812 121.223 0.152 0.000 2.499 186 L HA 0.065 4.405 4.340 -0.000 0.000 0.273 186 L C -0.459 176.542 176.870 0.219 0.000 1.195 186 L CA 0.311 55.226 54.840 0.126 0.000 0.882 186 L CB 0.055 42.153 42.059 0.065 0.000 1.133 186 L HN 0.029 nan 8.230 nan 0.000 0.483 187 F N 1.377 121.335 119.950 0.014 0.000 2.686 187 F HA 0.594 5.121 4.527 -0.000 0.000 0.311 187 F C -1.043 174.766 175.800 0.015 0.000 1.128 187 F CA -1.376 56.631 58.000 0.012 0.000 0.946 187 F CB 1.550 40.553 39.000 0.005 0.000 1.336 187 F HN 0.175 nan 8.300 nan 0.000 0.457 188 K N 3.572 124.041 120.400 0.116 0.000 2.307 188 K HA 0.505 4.825 4.320 -0.000 0.000 0.263 188 K C -2.715 173.986 176.600 0.169 0.000 0.973 188 K CA -2.086 54.203 56.287 0.004 0.000 0.846 188 K CB 1.432 33.951 32.500 0.031 0.000 1.100 188 K HN 0.549 nan 8.250 nan 0.000 0.438 189 P HA -0.018 nan 4.420 nan 0.000 0.267 189 P C -0.419 176.957 177.300 0.127 0.000 1.200 189 P CA -0.167 63.055 63.100 0.203 0.000 0.772 189 P CB 0.530 32.306 31.700 0.125 0.000 0.855 190 I N 2.258 122.899 120.570 0.118 0.000 2.325 190 I HA 0.045 4.215 4.170 -0.000 0.000 0.291 190 I C 0.784 176.936 176.117 0.058 0.000 1.019 190 I CA 0.148 61.493 61.300 0.074 0.000 1.302 190 I CB -0.317 37.719 38.000 0.059 0.000 1.401 190 I HN 0.565 nan 8.210 nan 0.000 0.485 191 D N 7.027 127.455 120.400 0.046 0.000 2.904 191 D HA -0.147 4.493 4.640 -0.000 0.000 0.231 191 D C -1.778 174.549 176.300 0.045 0.000 1.185 191 D CA 0.093 54.116 54.000 0.039 0.000 0.783 191 D CB -0.089 40.731 40.800 0.032 0.000 0.961 191 D HN 0.339 nan 8.370 nan 0.000 0.409 192 P HA 0.019 nan 4.420 nan 0.000 0.218 192 P C 0.132 177.466 177.300 0.057 0.000 1.149 192 P CA 1.619 64.752 63.100 0.055 0.000 0.817 192 P CB 0.418 32.150 31.700 0.053 0.000 0.785 193 A N 0.061 122.912 122.820 0.052 0.000 2.923 193 A HA 0.409 4.729 4.320 -0.000 0.000 0.343 193 A C -2.258 175.352 177.584 0.043 0.000 1.199 193 A CA -1.366 50.706 52.037 0.057 0.000 0.878 193 A CB -0.252 18.788 19.000 0.066 0.000 1.104 193 A HN 0.051 nan 8.150 nan 0.000 0.483 194 P HA 0.339 nan 4.420 nan 0.000 0.272 194 P C 0.144 177.463 177.300 0.030 0.000 1.223 194 P CA 0.071 63.191 63.100 0.032 0.000 0.784 194 P CB 1.065 32.784 31.700 0.032 0.000 0.923 195 A N 2.809 125.642 122.820 0.022 0.000 2.371 195 A HA 0.281 4.601 4.320 -0.000 0.000 0.257 195 A C 0.137 177.734 177.584 0.021 0.000 1.089 195 A CA -0.139 51.910 52.037 0.020 0.000 0.794 195 A CB 0.037 19.044 19.000 0.013 0.000 1.029 195 A HN 0.522 nan 8.150 nan 0.000 0.488 196 Q N 1.556 121.370 119.800 0.022 0.000 2.337 196 Q HA 0.383 4.723 4.340 -0.000 0.000 0.264 196 Q C -1.196 174.815 176.000 0.018 0.000 1.007 196 Q CA 0.052 55.867 55.803 0.021 0.000 0.727 196 Q CB 1.562 30.314 28.738 0.025 0.000 1.256 196 Q HN 0.709 nan 8.270 nan 0.000 0.467 197 I N 4.843 125.422 120.570 0.015 0.000 2.365 197 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 197 I C -1.609 174.516 176.117 0.012 0.000 1.004 197 I CA -1.652 59.655 61.300 0.012 0.000 1.311 197 I CB 1.001 39.007 38.000 0.010 0.000 1.401 197 I HN 0.247 nan 8.210 nan 0.000 0.491 198 P HA 0.273 nan 4.420 nan 0.000 0.276 198 P C -0.656 176.650 177.300 0.010 0.000 1.244 198 P CA -0.456 62.651 63.100 0.011 0.000 0.801 198 P CB 1.020 32.728 31.700 0.012 0.000 1.006 199 A N 1.736 124.562 122.820 0.009 0.000 2.366 199 A HA 0.088 4.408 4.320 -0.000 0.000 0.249 199 A C 1.496 179.085 177.584 0.007 0.000 1.084 199 A CA -0.338 51.703 52.037 0.007 0.000 0.794 199 A CB -0.130 18.874 19.000 0.007 0.000 1.034 199 A HN 0.639 nan 8.150 nan 0.000 0.491 200 E N 0.937 121.140 120.200 0.006 0.000 2.085 200 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 200 E C 1.033 177.637 176.600 0.006 0.000 0.994 200 E CA 1.536 57.940 56.400 0.006 0.000 0.801 200 E CB -0.223 29.480 29.700 0.005 0.000 0.743 200 E HN 0.888 nan 8.360 nan 0.000 0.453 201 D N 1.415 121.818 120.400 0.006 0.000 2.178 201 D HA -0.104 4.535 4.640 -0.000 0.000 0.202 201 D C 1.922 178.226 176.300 0.007 0.000 0.974 201 D CA 1.224 55.228 54.000 0.006 0.000 0.841 201 D CB -0.234 40.569 40.800 0.005 0.000 0.953 201 D HN 0.129 nan 8.370 nan 0.000 0.478 202 A N 1.170 123.994 122.820 0.008 0.000 1.902 202 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 202 A C 2.414 180.004 177.584 0.011 0.000 1.181 202 A CA 1.009 53.052 52.037 0.009 0.000 0.623 202 A CB -0.493 18.513 19.000 0.010 0.000 0.818 202 A HN 0.215 nan 8.150 nan 0.000 0.443 203 I N -0.238 120.338 120.570 0.010 0.000 2.286 203 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 203 I C 2.913 179.037 176.117 0.011 0.000 1.104 203 I CA 1.378 62.685 61.300 0.011 0.000 1.397 203 I CB -1.515 36.491 38.000 0.010 0.000 1.072 203 I HN 0.362 nan 8.210 nan 0.000 0.417 204 A N 0.668 123.493 122.820 0.009 0.000 1.933 204 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 204 A C 2.512 180.100 177.584 0.007 0.000 1.175 204 A CA 1.503 53.544 52.037 0.007 0.000 0.628 204 A CB -0.656 18.347 19.000 0.006 0.000 0.814 204 A HN 0.325 nan 8.150 nan 0.000 0.444 205 R N -0.485 120.019 120.500 0.008 0.000 2.096 205 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 205 R C 2.260 178.565 176.300 0.009 0.000 1.127 205 R CA 1.354 57.458 56.100 0.007 0.000 0.968 205 R CB -0.326 29.979 30.300 0.008 0.000 0.861 205 R HN 0.467 nan 8.270 nan 0.000 0.440 206 A N 0.538 123.366 122.820 0.013 0.000 1.872 206 A HA -0.023 4.297 4.320 -0.000 0.000 0.214 206 A C 2.332 179.925 177.584 0.015 0.000 1.187 206 A CA 1.379 53.427 52.037 0.017 0.000 0.614 206 A CB -0.756 18.257 19.000 0.021 0.000 0.826 206 A HN 0.487 nan 8.150 nan 0.000 0.442 207 A N 0.212 123.040 122.820 0.013 0.000 1.908 207 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 207 A C 1.814 179.403 177.584 0.008 0.000 1.181 207 A CA 2.358 54.403 52.037 0.012 0.000 0.627 207 A CB -0.823 18.183 19.000 0.011 0.000 0.818 207 A HN 0.596 nan 8.150 nan 0.000 0.445 208 D N -0.250 120.154 120.400 0.005 0.000 2.104 208 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 208 D C 1.825 178.123 176.300 -0.003 0.000 0.994 208 D CA 1.477 55.477 54.000 0.001 0.000 0.830 208 D CB -0.224 40.576 40.800 -0.000 0.000 0.959 208 D HN 0.419 nan 8.370 nan 0.000 0.452 209 L N 0.049 121.270 121.223 -0.003 0.000 2.083 209 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 209 L C 2.548 179.411 176.870 -0.012 0.000 1.083 209 L CA 0.725 55.558 54.840 -0.011 0.000 0.752 209 L CB -0.358 41.696 42.059 -0.009 0.000 0.899 209 L HN 0.219 nan 8.230 nan 0.000 0.433 210 I N -0.354 120.217 120.570 0.001 0.000 2.353 210 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 210 I C 2.379 178.500 176.117 0.006 0.000 1.119 210 I CA 1.214 62.519 61.300 0.008 0.000 1.417 210 I CB -0.209 37.804 38.000 0.023 0.000 1.078 210 I HN 0.193 nan 8.210 nan 0.000 0.421 211 K N 0.569 120.972 120.400 0.005 0.000 2.211 211 K HA -0.059 4.261 4.320 -0.000 0.000 0.203 211 K C 1.277 177.874 176.600 -0.005 0.000 1.050 211 K CA 0.883 57.173 56.287 0.004 0.000 0.945 211 K CB -0.089 32.414 32.500 0.005 0.000 0.732 211 K HN 0.317 nan 8.250 nan 0.000 0.451 212 N N 0.521 119.213 118.700 -0.015 0.000 2.280 212 N HA 0.063 4.803 4.740 -0.000 0.000 0.192 212 N C -0.315 175.167 175.510 -0.045 0.000 1.109 212 N CA 0.036 53.070 53.050 -0.026 0.000 0.855 212 N CB 0.645 39.117 38.487 -0.026 0.000 0.974 212 N HN 0.066 nan 8.380 nan 0.000 0.482 213 A N 0.917 123.708 122.820 -0.048 0.000 2.401 213 A HA 0.212 4.532 4.320 -0.000 0.000 0.259 213 A C 1.128 178.644 177.584 -0.114 0.000 1.103 213 A CA -0.023 51.963 52.037 -0.085 0.000 0.789 213 A CB 0.732 19.691 19.000 -0.070 0.000 1.035 213 A HN -0.061 nan 8.150 nan 0.000 0.491 214 K N 1.136 121.425 120.400 -0.185 0.000 2.334 214 K HA 0.113 4.433 4.320 -0.000 0.000 0.195 214 K C 0.176 176.508 176.600 -0.448 0.000 1.045 214 K CA 0.778 56.933 56.287 -0.220 0.000 1.004 214 K CB 0.440 32.826 32.500 -0.190 0.000 0.837 214 K HN 0.740 nan 8.250 nan 0.000 0.510 215 R N 1.183 121.285 120.500 -0.663 0.000 2.684 215 R HA 0.190 4.530 4.340 -0.000 0.000 0.252 215 R C -2.685 173.157 176.300 -0.765 0.000 1.628 215 R CA -1.063 54.127 56.100 -1.517 0.000 1.622 215 R CB 1.572 30.763 30.300 -1.848 0.000 1.418 215 R HN 0.003 nan 8.270 nan 0.000 0.697 216 P HA 0.207 nan 4.420 nan 0.000 0.274 216 P C -0.506 177.000 177.300 0.344 0.000 1.237 216 P CA -0.262 62.883 63.100 0.074 0.000 0.793 216 P CB 1.960 33.708 31.700 0.080 0.000 0.977 217 V N 2.786 122.847 119.914 0.245 0.000 3.048 217 V HA 0.452 4.572 4.120 -0.000 0.000 0.303 217 V C -0.978 175.236 176.094 0.199 0.000 1.214 217 V CA -0.948 61.509 62.300 0.261 0.000 0.984 217 V CB 2.122 34.106 31.823 0.269 0.000 1.054 217 V HN 0.344 nan 8.190 nan 0.000 0.430 218 I N 6.174 126.864 120.570 0.201 0.000 2.441 218 I HA 0.534 4.704 4.170 -0.000 0.000 0.295 218 I C -0.582 175.654 176.117 0.198 0.000 0.994 218 I CA -0.654 60.758 61.300 0.187 0.000 1.144 218 I CB 1.981 40.087 38.000 0.177 0.000 1.314 218 I HN 0.396 nan 8.210 nan 0.000 0.445 219 M N 7.286 126.992 119.600 0.176 0.000 2.125 219 M HA 0.463 4.943 4.480 -0.000 0.000 0.321 219 M C -0.851 175.529 176.300 0.134 0.000 0.983 219 M CA -0.448 54.950 55.300 0.163 0.000 0.934 219 M CB 1.456 34.165 32.600 0.182 0.000 1.542 219 M HN 0.358 nan 8.290 nan 0.000 0.424 220 L N 2.769 124.074 121.223 0.138 0.000 2.272 220 L HA 0.739 5.079 4.340 -0.000 0.000 0.289 220 L C 0.802 177.725 176.870 0.089 0.000 1.032 220 L CA -0.610 54.292 54.840 0.104 0.000 0.810 220 L CB 1.497 43.618 42.059 0.102 0.000 1.205 220 L HN 0.764 nan 8.230 nan 0.000 0.422 221 G N 1.485 110.330 108.800 0.076 0.000 2.552 221 G HA2 0.315 4.275 3.960 -0.000 0.000 0.324 221 G HA3 0.315 4.275 3.960 -0.000 0.000 0.324 221 G C 0.591 175.551 174.900 0.100 0.000 1.217 221 G CA -0.573 44.566 45.100 0.065 0.000 0.989 221 G HN 0.793 nan 8.290 nan 0.000 0.490 222 K N -1.052 119.415 120.400 0.111 0.000 2.362 222 K HA 0.031 4.351 4.320 -0.000 0.000 0.200 222 K C 1.939 178.709 176.600 0.282 0.000 1.046 222 K CA 1.212 57.626 56.287 0.211 0.000 0.952 222 K CB -0.110 32.503 32.500 0.187 0.000 0.753 222 K HN 0.435 nan 8.250 nan 0.000 0.466 223 G N 1.404 110.314 108.800 0.184 0.000 2.408 223 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 223 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 223 G C 1.677 176.698 174.900 0.202 0.000 1.150 223 G CA 0.675 45.892 45.100 0.195 0.000 0.776 223 G HN 0.439 nan 8.290 nan 0.000 0.542 224 A N 1.126 124.030 122.820 0.140 0.000 1.898 224 A HA 0.326 4.646 4.320 -0.000 0.000 0.216 224 A C 2.787 180.423 177.584 0.087 0.000 1.181 224 A CA 2.106 54.199 52.037 0.094 0.000 0.620 224 A CB -0.685 18.352 19.000 0.063 0.000 0.819 224 A HN 0.690 nan 8.150 nan 0.000 0.442 225 A N -1.502 121.396 122.820 0.130 0.000 1.898 225 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 225 A C 2.128 179.726 177.584 0.022 0.000 1.181 225 A CA 1.564 53.657 52.037 0.093 0.000 0.620 225 A CB -0.843 18.269 19.000 0.186 0.000 0.819 225 A HN 0.728 nan 8.150 nan 0.000 0.442 226 Y N 0.907 121.205 120.300 -0.002 0.000 2.256 226 Y HA -0.121 4.429 4.550 -0.000 0.000 0.288 226 Y C 2.489 178.334 175.900 -0.093 0.000 1.155 226 Y CA 1.019 59.044 58.100 -0.125 0.000 1.203 226 Y CB -0.425 38.078 38.460 0.071 0.000 0.980 226 Y HN 0.306 nan 8.280 nan 0.000 0.530 227 A N -0.003 122.789 122.820 -0.046 0.000 2.019 227 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 227 A C 1.094 178.571 177.584 -0.178 0.000 1.164 227 A CA 1.366 53.341 52.037 -0.104 0.000 0.644 227 A CB -0.557 18.448 19.000 0.009 0.000 0.805 227 A HN 0.650 nan 8.150 nan 0.000 0.449 228 Q N -2.339 117.359 119.800 -0.171 0.000 2.459 228 Q HA -0.193 4.147 4.340 -0.000 0.000 0.314 228 Q C -0.170 175.768 176.000 -0.102 0.000 1.432 228 Q CA 0.492 56.202 55.803 -0.155 0.000 0.823 228 Q CB -2.584 26.030 28.738 -0.206 0.000 1.124 228 Q HN 1.203 nan 8.270 nan 0.000 0.392 229 C N -2.828 116.428 119.300 -0.074 0.000 3.246 229 C HA 0.264 4.724 4.460 -0.000 0.000 0.204 229 C C 1.177 176.136 174.990 -0.053 0.000 1.879 229 C CA -0.801 58.184 59.018 -0.056 0.000 1.318 229 C CB 0.183 27.897 27.740 -0.043 0.000 2.288 229 C HN 0.377 nan 8.230 nan 0.000 0.530 230 D N 1.614 121.980 120.400 -0.058 0.000 2.133 230 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 230 D C 1.358 177.620 176.300 -0.063 0.000 0.997 230 D CA 1.805 55.769 54.000 -0.060 0.000 0.840 230 D CB 0.107 40.875 40.800 -0.054 0.000 0.947 230 D HN 0.598 nan 8.370 nan 0.000 0.452 231 D N 0.500 120.870 120.400 -0.050 0.000 2.183 231 D HA -0.090 4.550 4.640 -0.000 0.000 0.203 231 D C 2.003 178.277 176.300 -0.044 0.000 0.969 231 D CA 0.484 54.458 54.000 -0.043 0.000 0.842 231 D CB 0.049 40.831 40.800 -0.030 0.000 0.957 231 D HN 0.153 nan 8.370 nan 0.000 0.484 232 E N 0.901 121.077 120.200 -0.041 0.000 2.051 232 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 232 E C 2.443 179.016 176.600 -0.046 0.000 0.991 232 E CA 0.355 56.734 56.400 -0.035 0.000 0.799 232 E CB -0.183 29.500 29.700 -0.028 0.000 0.748 232 E HN 0.375 nan 8.360 nan 0.000 0.449 233 I N 0.414 120.947 120.570 -0.061 0.000 2.179 233 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 233 I C 2.812 178.852 176.117 -0.129 0.000 1.088 233 I CA 1.091 62.341 61.300 -0.084 0.000 1.357 233 I CB -0.282 37.663 38.000 -0.091 0.000 1.051 233 I HN 0.030 nan 8.210 nan 0.000 0.409 234 R N 1.178 121.593 120.500 -0.141 0.000 2.096 234 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 234 R C 2.345 178.585 176.300 -0.100 0.000 1.127 234 R CA 1.484 57.479 56.100 -0.174 0.000 0.968 234 R CB -0.194 30.030 30.300 -0.126 0.000 0.861 234 R HN 0.361 nan 8.270 nan 0.000 0.440 235 A N 1.167 123.953 122.820 -0.058 0.000 1.877 235 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 235 A C 2.041 179.610 177.584 -0.024 0.000 1.186 235 A CA 1.302 53.323 52.037 -0.027 0.000 0.620 235 A CB -0.650 18.338 19.000 -0.019 0.000 0.822 235 A HN 0.398 nan 8.150 nan 0.000 0.443 236 L N 0.042 121.245 121.223 -0.034 0.000 2.079 236 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 236 L C 2.318 179.177 176.870 -0.019 0.000 1.081 236 L CA 1.967 56.795 54.840 -0.020 0.000 0.752 236 L CB -0.462 41.584 42.059 -0.021 0.000 0.896 236 L HN 0.152 nan 8.230 nan 0.000 0.433 237 V N -0.162 119.715 119.914 -0.061 0.000 2.307 237 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 237 V C 2.478 178.573 176.094 0.000 0.000 1.045 237 V CA 2.122 64.384 62.300 -0.063 0.000 1.024 237 V CB -0.685 30.997 31.823 -0.236 0.000 0.651 237 V HN 0.516 nan 8.190 nan 0.000 0.449 238 E N 0.542 120.745 120.200 0.006 0.000 2.072 238 E HA -0.242 4.108 4.350 -0.000 0.000 0.190 238 E C 2.154 178.788 176.600 0.057 0.000 0.982 238 E CA 1.345 57.787 56.400 0.070 0.000 0.803 238 E CB -0.156 29.598 29.700 0.090 0.000 0.755 238 E HN 0.880 nan 8.360 nan 0.000 0.453 239 E N 1.027 121.249 120.200 0.035 0.000 2.268 239 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 239 E C 1.801 178.425 176.600 0.040 0.000 0.995 239 E CA 1.659 58.079 56.400 0.033 0.000 0.836 239 E CB -0.173 29.540 29.700 0.021 0.000 0.763 239 E HN 0.210 nan 8.360 nan 0.000 0.491 240 T N -3.907 110.674 114.554 0.046 0.000 3.037 240 T HA 0.304 4.654 4.350 -0.000 0.000 0.251 240 T C 1.707 176.454 174.700 0.079 0.000 1.079 240 T CA 0.179 62.313 62.100 0.057 0.000 1.067 240 T CB 0.201 69.102 68.868 0.056 0.000 0.948 240 T HN 0.433 nan 8.240 nan 0.000 0.496 241 G N 1.791 110.643 108.800 0.086 0.000 2.168 241 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.257 241 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.257 241 G C 0.043 175.023 174.900 0.133 0.000 0.997 241 G CA 0.315 45.479 45.100 0.106 0.000 0.708 241 G HN 0.687 nan 8.290 nan 0.000 0.520 242 I N 2.642 123.296 120.570 0.140 0.000 2.371 242 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 242 I C -1.285 174.949 176.117 0.194 0.000 1.028 242 I CA -2.254 59.154 61.300 0.179 0.000 1.345 242 I CB 1.125 39.223 38.000 0.164 0.000 1.407 242 I HN -0.058 nan 8.210 nan 0.000 0.501 243 P HA 0.073 nan 4.420 nan 0.000 0.269 243 P C -1.043 176.375 177.300 0.197 0.000 1.215 243 P CA 0.178 63.349 63.100 0.118 0.000 0.780 243 P CB 0.467 32.134 31.700 -0.055 0.000 0.898 244 F N 0.353 120.303 119.950 -0.000 0.000 2.603 244 F HA 0.770 5.297 4.527 -0.000 0.000 0.317 244 F C -1.625 174.173 175.800 -0.002 0.000 1.066 244 F CA -1.509 56.492 58.000 0.002 0.000 0.941 244 F CB 1.394 40.374 39.000 -0.033 0.000 1.291 244 F HN 0.016 nan 8.300 nan 0.000 0.472 245 L N 3.547 124.797 121.223 0.045 0.000 2.406 245 L HA 0.556 4.896 4.340 -0.000 0.000 0.272 245 L C -2.672 174.263 176.870 0.109 0.000 0.980 245 L CA -1.817 52.993 54.840 -0.050 0.000 0.831 245 L CB 2.774 44.815 42.059 -0.031 0.000 1.253 245 L HN 0.466 nan 8.230 nan 0.000 0.406 246 P HA 0.352 nan 4.420 nan 0.000 0.293 246 P C -1.018 176.319 177.300 0.062 0.000 1.291 246 P CA -0.718 62.468 63.100 0.143 0.000 0.867 246 P CB 1.753 33.572 31.700 0.197 0.000 1.074 247 M N 1.231 120.863 119.600 0.053 0.000 2.159 247 M HA 0.194 4.674 4.480 -0.000 0.000 0.293 247 M C 2.126 178.436 176.300 0.017 0.000 1.186 247 M CA 0.032 55.337 55.300 0.008 0.000 1.073 247 M CB -0.555 32.039 32.600 -0.009 0.000 1.419 247 M HN 0.589 nan 8.290 nan 0.000 0.490 248 G N 1.013 109.806 108.800 -0.010 0.000 2.732 248 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.222 248 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.222 248 G C 1.153 176.077 174.900 0.040 0.000 1.203 248 G CA 1.203 46.308 45.100 0.008 0.000 0.780 248 G HN 0.647 nan 8.290 nan 0.000 0.621 249 M N 1.052 120.679 119.600 0.046 0.000 2.495 249 M HA 0.326 4.806 4.480 -0.000 0.000 0.237 249 M C 2.358 178.734 176.300 0.126 0.000 1.131 249 M CA 0.413 55.759 55.300 0.076 0.000 1.032 249 M CB 0.594 33.210 32.600 0.026 0.000 1.513 249 M HN 0.330 nan 8.290 nan 0.000 0.488 250 A N 0.171 123.055 122.820 0.107 0.000 2.238 250 A HA 0.105 4.425 4.320 -0.000 0.000 0.210 250 A C 0.681 178.332 177.584 0.113 0.000 1.179 250 A CA 0.051 52.159 52.037 0.118 0.000 0.827 250 A CB -0.074 18.990 19.000 0.106 0.000 0.856 250 A HN 0.283 nan 8.150 nan 0.000 0.488 251 K N -0.374 120.088 120.400 0.104 0.000 2.484 251 K HA 0.314 4.634 4.320 -0.000 0.000 0.280 251 K C 1.202 177.862 176.600 0.100 0.000 1.013 251 K CA 0.852 57.202 56.287 0.105 0.000 1.029 251 K CB 0.129 32.678 32.500 0.082 0.000 0.902 251 K HN 0.552 nan 8.250 nan 0.000 0.481 252 G N 1.950 110.813 108.800 0.104 0.000 2.217 252 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.246 252 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.246 252 G C 0.611 175.543 174.900 0.053 0.000 0.990 252 G CA 0.219 45.367 45.100 0.079 0.000 0.627 252 G HN 0.533 nan 8.290 nan 0.000 0.522 253 L N -0.264 120.987 121.223 0.048 0.000 2.042 253 L HA 0.364 4.704 4.340 -0.000 0.000 0.210 253 L C 1.063 177.905 176.870 -0.047 0.000 1.076 253 L CA 1.900 56.740 54.840 -0.000 0.000 0.749 253 L CB -0.328 41.729 42.059 -0.003 0.000 0.893 253 L HN 0.355 nan 8.230 nan 0.000 0.432 254 L N -0.563 120.624 121.223 -0.061 0.000 2.346 254 L HA 0.478 4.818 4.340 -0.000 0.000 0.274 254 L C -2.206 174.712 176.870 0.079 0.000 1.007 254 L CA -1.748 53.029 54.840 -0.106 0.000 0.818 254 L CB 1.219 42.979 42.059 -0.499 0.000 1.284 254 L HN -0.163 nan 8.230 nan 0.000 0.424 255 P HA -0.020 nan 4.420 nan 0.000 0.261 255 P C -0.198 177.233 177.300 0.219 0.000 1.173 255 P CA 0.171 63.361 63.100 0.151 0.000 0.760 255 P CB 0.513 32.296 31.700 0.139 0.000 0.783 256 D N 1.736 122.231 120.400 0.159 0.000 2.265 256 D HA -0.143 4.497 4.640 -0.000 0.000 0.208 256 D C 1.157 177.532 176.300 0.125 0.000 0.977 256 D CA 1.279 55.367 54.000 0.146 0.000 0.871 256 D CB -0.473 40.379 40.800 0.087 0.000 0.925 256 D HN 0.618 nan 8.370 nan 0.000 0.485 257 N N -0.462 118.310 118.700 0.120 0.000 2.268 257 N HA -0.106 4.634 4.740 -0.000 0.000 0.204 257 N C 0.629 176.210 175.510 0.118 0.000 1.124 257 N CA -0.386 52.714 53.050 0.083 0.000 0.838 257 N CB 0.058 38.570 38.487 0.043 0.000 0.994 257 N HN 0.079 nan 8.380 nan 0.000 0.489 258 H N 2.936 122.078 119.070 0.119 0.000 2.928 258 H HA 0.047 4.603 4.556 -0.000 0.000 0.338 258 H C -1.149 174.252 175.328 0.121 0.000 1.047 258 H CA -0.865 55.273 56.048 0.150 0.000 1.435 258 H CB 1.392 31.320 29.762 0.277 0.000 1.428 258 H HN 0.132 nan 8.280 nan 0.000 0.590 259 P HA -0.172 nan 4.420 nan 0.000 0.217 259 P C 0.638 178.051 177.300 0.189 0.000 1.148 259 P CA 1.379 64.493 63.100 0.023 0.000 0.828 259 P CB 0.265 31.903 31.700 -0.103 0.000 0.783 260 Q N -0.409 119.724 119.800 0.555 0.000 2.403 260 Q HA 0.089 4.429 4.340 -0.000 0.000 0.203 260 Q C 0.833 176.875 176.000 0.070 0.000 0.932 260 Q CA -0.125 55.897 55.803 0.364 0.000 0.945 260 Q CB 0.026 29.044 28.738 0.466 0.000 1.045 260 Q HN 0.113 nan 8.270 nan 0.000 0.511 261 S N -0.046 115.572 115.700 -0.137 0.000 2.510 261 S HA 0.322 4.792 4.470 -0.000 0.000 0.279 261 S C 0.485 174.815 174.600 -0.450 0.000 1.284 261 S CA -0.192 57.520 58.200 -0.812 0.000 1.059 261 S CB 1.060 63.912 63.200 -0.580 0.000 0.901 261 S HN 0.324 nan 8.310 nan 0.000 0.491 262 A N 4.494 127.027 122.820 -0.480 0.000 2.500 262 A HA 0.615 4.935 4.320 -0.000 0.000 0.267 262 A C 1.829 179.275 177.584 -0.230 0.000 1.290 262 A CA 0.400 52.268 52.037 -0.282 0.000 0.928 262 A CB -0.604 18.256 19.000 -0.234 0.000 1.066 262 A HN 1.119 nan 8.150 nan 0.000 0.516 263 A N 0.364 123.024 122.820 -0.266 0.000 1.948 263 A HA 0.043 4.363 4.320 -0.000 0.000 0.220 263 A C 2.167 179.680 177.584 -0.119 0.000 1.177 263 A CA 1.843 53.777 52.037 -0.173 0.000 0.636 263 A CB -0.660 18.248 19.000 -0.154 0.000 0.815 263 A HN 1.229 nan 8.150 nan 0.000 0.449 264 A N -2.035 120.715 122.820 -0.117 0.000 2.255 264 A HA 0.262 4.582 4.320 -0.000 0.000 0.206 264 A C 1.335 178.869 177.584 -0.084 0.000 1.193 264 A CA 1.614 53.598 52.037 -0.088 0.000 0.794 264 A CB -0.529 18.421 19.000 -0.083 0.000 0.794 264 A HN 0.514 nan 8.150 nan 0.000 0.481 265 T N -1.808 112.693 114.554 -0.087 0.000 3.948 265 T HA 0.159 4.509 4.350 -0.000 0.000 0.303 265 T C 1.076 175.758 174.700 -0.029 0.000 0.942 265 T CA -0.042 62.024 62.100 -0.057 0.000 1.028 265 T CB -0.550 68.269 68.868 -0.082 0.000 1.154 265 T HN 0.515 nan 8.240 nan 0.000 0.471 266 R N 0.862 121.325 120.500 -0.061 0.000 2.112 266 R HA -0.129 4.211 4.340 -0.000 0.000 0.242 266 R C 2.345 178.592 176.300 -0.087 0.000 1.137 266 R CA 2.301 58.351 56.100 -0.083 0.000 0.944 266 R CB -0.554 29.688 30.300 -0.098 0.000 0.857 266 R HN 0.468 nan 8.270 nan 0.000 0.435 267 A N 0.440 123.224 122.820 -0.060 0.000 1.873 267 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 267 A C 2.085 179.653 177.584 -0.026 0.000 1.193 267 A CA 1.707 53.706 52.037 -0.065 0.000 0.629 267 A CB -0.975 18.012 19.000 -0.020 0.000 0.826 267 A HN 0.571 nan 8.150 nan 0.000 0.447 268 F N 0.606 120.509 119.950 -0.078 0.000 2.146 268 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 268 F C 2.547 178.352 175.800 0.010 0.000 1.096 268 F CA 1.146 59.126 58.000 -0.033 0.000 1.275 268 F CB -0.334 38.643 39.000 -0.039 0.000 1.008 268 F HN 0.257 nan 8.300 nan 0.000 0.480 269 A N 0.466 123.349 122.820 0.104 0.000 1.877 269 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 269 A C 2.262 179.857 177.584 0.018 0.000 1.186 269 A CA 1.812 53.904 52.037 0.092 0.000 0.620 269 A CB -1.115 17.898 19.000 0.023 0.000 0.822 269 A HN 0.466 nan 8.150 nan 0.000 0.443 270 L N -1.144 119.982 121.223 -0.163 0.000 2.156 270 L HA -0.094 4.245 4.340 -0.000 0.000 0.208 270 L C 3.008 179.687 176.870 -0.318 0.000 1.095 270 L CA 0.873 55.484 54.840 -0.381 0.000 0.770 270 L CB -0.482 41.108 42.059 -0.782 0.000 0.914 270 L HN 0.450 nan 8.230 nan 0.000 0.439 271 A N -0.785 121.876 122.820 -0.264 0.000 1.929 271 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 271 A C 2.137 179.609 177.584 -0.186 0.000 1.176 271 A CA 0.956 52.876 52.037 -0.195 0.000 0.628 271 A CB -0.124 18.762 19.000 -0.190 0.000 0.816 271 A HN 0.335 nan 8.150 nan 0.000 0.444 272 Q N -0.336 119.296 119.800 -0.280 0.000 2.408 272 Q HA 0.062 4.402 4.340 -0.000 0.000 0.205 272 Q C 1.237 177.112 176.000 -0.208 0.000 0.919 272 Q CA 0.564 56.199 55.803 -0.279 0.000 0.932 272 Q CB -1.037 27.395 28.738 -0.509 0.000 1.058 272 Q HN 0.829 nan 8.270 nan 0.000 0.517 273 C N 1.615 120.867 119.300 -0.080 0.000 2.727 273 C HA 0.200 4.660 4.460 -0.000 0.000 0.401 273 C C 1.449 176.329 174.990 -0.184 0.000 1.294 273 C CA -0.167 58.763 59.018 -0.148 0.000 2.134 273 C CB 0.588 28.370 27.740 0.071 0.000 2.724 273 C HN 0.511 nan 8.230 nan 0.000 0.677 274 D N 0.390 120.645 120.400 -0.242 0.000 2.470 274 D HA 0.097 4.737 4.640 -0.000 0.000 0.238 274 D C 0.174 176.372 176.300 -0.170 0.000 1.054 274 D CA 0.311 54.192 54.000 -0.197 0.000 0.896 274 D CB -0.073 40.592 40.800 -0.225 0.000 1.118 274 D HN 0.480 nan 8.370 nan 0.000 0.497 275 V N 0.913 120.738 119.914 -0.148 0.000 2.540 275 V HA 0.386 4.506 4.120 -0.000 0.000 0.302 275 V C -0.752 175.311 176.094 -0.052 0.000 1.035 275 V CA -1.099 61.130 62.300 -0.119 0.000 0.873 275 V CB 2.164 33.940 31.823 -0.078 0.000 0.992 275 V HN 0.415 nan 8.190 nan 0.000 0.428 276 C N 5.886 125.140 119.300 -0.077 0.000 2.364 276 C HA 0.742 5.202 4.460 -0.000 0.000 0.324 276 C C -0.330 174.742 174.990 0.138 0.000 1.234 276 C CA -0.288 58.777 59.018 0.077 0.000 1.417 276 C CB 0.628 28.462 27.740 0.157 0.000 2.101 276 C HN 0.699 nan 8.230 nan 0.000 0.466 277 V N 8.236 128.241 119.914 0.151 0.000 2.318 277 V HA 0.313 4.433 4.120 -0.000 0.000 0.271 277 V C 0.106 176.291 176.094 0.151 0.000 1.030 277 V CA -0.122 62.260 62.300 0.136 0.000 0.844 277 V CB 0.834 32.718 31.823 0.101 0.000 1.015 277 V HN 0.746 nan 8.190 nan 0.000 0.460 278 L N 6.533 127.848 121.223 0.153 0.000 2.281 278 L HA 0.534 4.874 4.340 -0.000 0.000 0.285 278 L C -0.290 176.629 176.870 0.080 0.000 1.074 278 L CA -0.021 54.892 54.840 0.121 0.000 0.817 278 L CB 0.856 42.971 42.059 0.094 0.000 1.168 278 L HN 0.477 nan 8.230 nan 0.000 0.434 279 I N 3.187 123.802 120.570 0.074 0.000 2.420 279 I HA 0.286 4.456 4.170 -0.000 0.000 0.282 279 I C 0.897 177.048 176.117 0.056 0.000 1.019 279 I CA -0.462 60.872 61.300 0.057 0.000 1.130 279 I CB 1.551 39.581 38.000 0.049 0.000 1.262 279 I HN 0.856 nan 8.210 nan 0.000 0.454 280 G N 4.885 113.715 108.800 0.050 0.000 2.323 280 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.292 280 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.292 280 G C 0.006 174.933 174.900 0.045 0.000 1.040 280 G CA 0.369 45.502 45.100 0.055 0.000 0.942 280 G HN 0.972 nan 8.290 nan 0.000 0.506 281 A N -0.409 122.427 122.820 0.027 0.000 2.427 281 A HA 0.851 5.171 4.320 -0.000 0.000 0.298 281 A C 0.088 177.661 177.584 -0.018 0.000 1.036 281 A CA -0.672 51.371 52.037 0.009 0.000 0.701 281 A CB 1.237 20.256 19.000 0.032 0.000 1.250 281 A HN 0.454 nan 8.150 nan 0.000 0.412 282 R N 0.857 121.329 120.500 -0.048 0.000 2.457 282 R HA 0.380 4.720 4.340 -0.000 0.000 0.284 282 R C -0.389 175.860 176.300 -0.086 0.000 1.024 282 R CA -0.766 55.295 56.100 -0.065 0.000 1.025 282 R CB 1.079 31.341 30.300 -0.063 0.000 1.063 282 R HN 0.522 nan 8.270 nan 0.000 0.493 283 L N 4.470 125.627 121.223 -0.110 0.000 2.873 283 L HA 0.069 4.409 4.340 -0.000 0.000 0.236 283 L C -0.121 176.689 176.870 -0.099 0.000 1.375 283 L CA 0.092 54.847 54.840 -0.143 0.000 1.239 283 L CB -1.355 40.528 42.059 -0.293 0.000 1.603 283 L HN 0.604 nan 8.230 nan 0.000 0.430 284 N N -1.642 116.978 118.700 -0.133 0.000 2.562 284 N HA 0.041 4.781 4.740 -0.000 0.000 0.299 284 N C 1.275 176.432 175.510 -0.589 0.000 1.344 284 N CA 0.139 53.085 53.050 -0.173 0.000 0.914 284 N CB -0.641 37.848 38.487 0.003 0.000 1.101 284 N HN 0.309 nan 8.380 nan 0.000 0.527 285 W N -0.702 120.252 121.300 -0.576 0.000 2.350 285 W HA -0.011 4.649 4.660 -0.000 0.000 0.289 285 W C 1.009 177.408 176.519 -0.200 0.000 1.215 285 W CA 0.363 57.427 57.345 -0.467 0.000 1.236 285 W CB -1.191 28.218 29.460 -0.085 0.000 1.130 285 W HN 0.266 nan 8.180 nan 0.000 0.541 286 L N 0.718 121.307 121.223 -1.057 0.000 2.265 286 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 286 L C 2.261 178.907 176.870 -0.372 0.000 1.117 286 L CA 1.220 55.497 54.840 -0.938 0.000 0.782 286 L CB -0.404 41.131 42.059 -0.874 0.000 0.914 286 L HN -0.046 nan 8.230 nan 0.000 0.441 287 M N -1.026 118.444 119.600 -0.217 0.000 2.589 287 M HA 0.115 4.595 4.480 -0.000 0.000 0.344 287 M C -0.118 176.319 176.300 0.228 0.000 1.168 287 M CA -0.043 55.293 55.300 0.061 0.000 0.956 287 M CB 0.922 33.638 32.600 0.194 0.000 1.370 287 M HN -0.020 nan 8.290 nan 0.000 0.518 288 Q N -0.208 119.628 119.800 0.060 0.000 2.480 288 Q HA -0.224 4.116 4.340 -0.000 0.000 0.265 288 Q C -0.160 175.975 176.000 0.225 0.000 1.072 288 Q CA 0.944 56.850 55.803 0.172 0.000 1.018 288 Q CB -2.629 26.278 28.738 0.281 0.000 1.433 288 Q HN 0.619 nan 8.270 nan 0.000 0.513 289 H N -3.413 115.744 119.070 0.145 0.000 2.861 289 H HA -0.227 4.329 4.556 -0.000 0.000 0.289 289 H C 1.228 176.484 175.328 -0.120 0.000 1.176 289 H CA 1.799 57.859 56.048 0.020 0.000 1.146 289 H CB -1.759 28.026 29.762 0.038 0.000 1.330 289 H HN 1.037 nan 8.280 nan 0.000 0.379 290 G N 0.291 109.006 108.800 -0.141 0.000 2.198 290 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.260 290 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.260 290 G C 0.285 174.829 174.900 -0.594 0.000 1.025 290 G CA 1.254 45.847 45.100 -0.844 0.000 0.769 290 G HN 0.897 nan 8.290 nan 0.000 0.507 291 K N -2.082 118.301 120.400 -0.027 0.000 2.533 291 K HA 0.813 5.133 4.320 -0.000 0.000 0.284 291 K C 0.562 177.361 176.600 0.332 0.000 1.025 291 K CA -0.414 55.969 56.287 0.160 0.000 0.900 291 K CB 1.354 33.901 32.500 0.077 0.000 1.519 291 K HN 1.822 nan 8.250 nan 0.000 0.432 292 G N 0.785 109.721 108.800 0.227 0.000 2.627 292 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.214 292 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.214 292 G C 0.413 175.418 174.900 0.176 0.000 1.331 292 G CA 0.225 45.435 45.100 0.184 0.000 0.891 292 G HN 0.959 nan 8.290 nan 0.000 0.539 293 K N -1.516 118.951 120.400 0.113 0.000 2.063 293 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 293 K C 2.449 179.072 176.600 0.038 0.000 1.048 293 K CA 2.922 59.251 56.287 0.069 0.000 0.928 293 K CB -0.912 31.614 32.500 0.043 0.000 0.713 293 K HN 1.165 nan 8.250 nan 0.000 0.442 294 T N -2.402 112.162 114.554 0.017 0.000 2.946 294 T HA -0.150 4.200 4.350 -0.000 0.000 0.271 294 T C 0.874 175.368 174.700 -0.343 0.000 1.104 294 T CA 0.884 62.887 62.100 -0.162 0.000 1.114 294 T CB -0.405 68.336 68.868 -0.212 0.000 0.867 294 T HN 0.550 nan 8.240 nan 0.000 0.513 295 W N 0.959 122.272 121.300 0.023 0.000 2.926 295 W HA 0.595 5.255 4.660 -0.000 0.000 0.419 295 W C 1.559 178.070 176.519 -0.014 0.000 0.993 295 W CA -0.450 56.904 57.345 0.015 0.000 2.025 295 W CB 0.076 29.569 29.460 0.054 0.000 1.152 295 W HN 0.375 nan 8.180 nan 0.000 0.659 296 G N 1.114 109.976 108.800 0.104 0.000 2.196 296 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.268 296 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.268 296 G C 0.218 175.163 174.900 0.075 0.000 0.975 296 G CA 0.463 45.595 45.100 0.053 0.000 0.648 296 G HN 0.372 nan 8.290 nan 0.000 0.538 297 D N -0.068 120.408 120.400 0.127 0.000 2.737 297 D HA -0.124 4.516 4.640 -0.000 0.000 0.243 297 D C 0.288 176.632 176.300 0.073 0.000 1.109 297 D CA 1.827 55.888 54.000 0.101 0.000 0.702 297 D CB -1.215 39.625 40.800 0.066 0.000 1.068 297 D HN 1.190 nan 8.370 nan 0.000 0.432 298 E N -1.210 119.041 120.200 0.085 0.000 2.388 298 E HA 0.412 4.762 4.350 -0.000 0.000 0.280 298 E C -1.096 175.521 176.600 0.029 0.000 1.019 298 E CA -1.058 55.366 56.400 0.041 0.000 0.806 298 E CB 1.119 30.830 29.700 0.018 0.000 1.246 298 E HN -0.010 nan 8.360 nan 0.000 0.443 299 L N 2.647 123.870 121.223 0.001 0.000 2.407 299 L HA 0.242 4.582 4.340 -0.000 0.000 0.282 299 L C -0.324 176.495 176.870 -0.086 0.000 1.110 299 L CA -0.042 54.789 54.840 -0.016 0.000 0.863 299 L CB -0.100 41.961 42.059 0.003 0.000 1.207 299 L HN 0.419 nan 8.230 nan 0.000 0.454 300 K N 4.462 124.733 120.400 -0.216 0.000 2.187 300 K HA 0.150 4.470 4.320 -0.000 0.000 0.247 300 K C -0.264 176.085 176.600 -0.419 0.000 1.019 300 K CA -0.244 55.822 56.287 -0.369 0.000 0.893 300 K CB 0.322 32.462 32.500 -0.601 0.000 1.025 300 K HN 0.487 nan 8.250 nan 0.000 0.500 301 K N 1.932 122.130 120.400 -0.338 0.000 2.268 301 K HA 0.179 4.499 4.320 -0.000 0.000 0.276 301 K C -0.775 175.682 176.600 -0.238 0.000 1.080 301 K CA -0.211 55.956 56.287 -0.200 0.000 0.910 301 K CB 0.315 32.746 32.500 -0.114 0.000 1.163 301 K HN 0.348 nan 8.250 nan 0.000 0.465 302 Y N 1.431 121.701 120.300 -0.051 0.000 2.327 302 Y HA 0.137 4.687 4.550 -0.000 0.000 0.336 302 Y C 0.484 176.371 175.900 -0.023 0.000 1.035 302 Y CA -0.792 57.281 58.100 -0.045 0.000 1.165 302 Y CB 1.077 39.486 38.460 -0.085 0.000 1.181 302 Y HN 0.186 nan 8.280 nan 0.000 0.494 303 V N 4.173 124.171 119.914 0.140 0.000 2.481 303 V HA 0.322 4.442 4.120 -0.000 0.000 0.286 303 V C -0.408 175.752 176.094 0.111 0.000 1.042 303 V CA -0.741 61.620 62.300 0.101 0.000 0.928 303 V CB 1.448 33.311 31.823 0.068 0.000 0.986 303 V HN 0.729 nan 8.190 nan 0.000 0.462 304 Q N 3.747 123.589 119.800 0.069 0.000 2.304 304 Q HA 0.632 4.972 4.340 -0.000 0.000 0.270 304 Q C -1.614 174.406 176.000 0.033 0.000 1.035 304 Q CA -0.484 55.346 55.803 0.046 0.000 0.781 304 Q CB 1.988 30.734 28.738 0.012 0.000 1.261 304 Q HN 0.762 nan 8.270 nan 0.000 0.444 305 I N 3.416 124.007 120.570 0.034 0.000 2.362 305 I HA 0.492 4.662 4.170 -0.000 0.000 0.289 305 I C -0.780 175.353 176.117 0.026 0.000 0.994 305 I CA -0.501 60.816 61.300 0.029 0.000 1.158 305 I CB 1.505 39.524 38.000 0.032 0.000 1.315 305 I HN 0.592 nan 8.210 nan 0.000 0.451 306 D N 4.969 125.382 120.400 0.021 0.000 2.717 306 D HA 0.240 4.880 4.640 -0.000 0.000 0.223 306 D C 0.048 176.361 176.300 0.021 0.000 1.240 306 D CA -0.496 53.516 54.000 0.020 0.000 0.801 306 D CB 2.907 43.711 40.800 0.007 0.000 1.556 306 D HN 0.493 nan 8.370 nan 0.000 0.462 307 I N 1.333 121.919 120.570 0.027 0.000 2.928 307 I HA -0.067 4.103 4.170 -0.000 0.000 0.266 307 I C 0.458 176.586 176.117 0.018 0.000 1.234 307 I CA 0.692 62.009 61.300 0.028 0.000 1.483 307 I CB 0.278 38.304 38.000 0.043 0.000 1.097 307 I HN 0.208 nan 8.210 nan 0.000 0.455 308 Q N 0.499 120.304 119.800 0.009 0.000 2.390 308 Q HA 0.342 4.682 4.340 -0.000 0.000 0.249 308 Q C 0.767 176.766 176.000 -0.002 0.000 0.996 308 Q CA 0.302 56.105 55.803 0.001 0.000 0.899 308 Q CB 1.552 30.284 28.738 -0.010 0.000 1.216 308 Q HN 0.350 nan 8.270 nan 0.000 0.465 309 A N 4.166 126.987 122.820 0.001 0.000 1.908 309 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 309 A C 1.418 178.997 177.584 -0.007 0.000 1.181 309 A CA 1.770 53.806 52.037 -0.001 0.000 0.627 309 A CB -0.575 18.427 19.000 0.002 0.000 0.818 309 A HN 0.900 nan 8.150 nan 0.000 0.445 310 N N -0.107 118.588 118.700 -0.008 0.000 2.515 310 N HA -0.069 4.671 4.740 -0.000 0.000 0.191 310 N C 0.922 176.421 175.510 -0.018 0.000 1.182 310 N CA 1.183 54.226 53.050 -0.012 0.000 0.879 310 N CB 0.004 38.485 38.487 -0.011 0.000 0.984 310 N HN 0.511 nan 8.380 nan 0.000 0.453 311 E N 0.285 120.473 120.200 -0.020 0.000 2.285 311 E HA 0.050 4.400 4.350 -0.000 0.000 0.194 311 E C 0.386 176.964 176.600 -0.036 0.000 0.997 311 E CA 0.291 56.675 56.400 -0.027 0.000 0.845 311 E CB -0.044 29.640 29.700 -0.027 0.000 0.782 311 E HN 0.220 nan 8.360 nan 0.000 0.491 312 M N 1.601 121.182 119.600 -0.031 0.000 2.249 312 M HA 0.027 4.507 4.480 -0.000 0.000 0.340 312 M C -0.155 176.119 176.300 -0.043 0.000 1.166 312 M CA 0.714 55.992 55.300 -0.038 0.000 1.115 312 M CB 0.171 32.757 32.600 -0.023 0.000 1.606 312 M HN 0.044 nan 8.290 nan 0.000 0.448 313 D N 0.431 120.795 120.400 -0.061 0.000 2.870 313 D HA -0.143 4.497 4.640 -0.000 0.000 0.228 313 D C 1.025 177.291 176.300 -0.057 0.000 1.147 313 D CA 1.245 55.209 54.000 -0.060 0.000 0.757 313 D CB -1.258 39.519 40.800 -0.038 0.000 1.091 313 D HN 0.818 nan 8.370 nan 0.000 0.429 314 S N -1.605 114.058 115.700 -0.063 0.000 2.436 314 S HA 0.002 4.472 4.470 -0.000 0.000 0.228 314 S C 1.448 176.021 174.600 -0.044 0.000 1.014 314 S CA 0.629 58.803 58.200 -0.044 0.000 0.950 314 S CB 0.571 63.752 63.200 -0.031 0.000 0.784 314 S HN 0.340 nan 8.310 nan 0.000 0.504 315 N N -0.383 118.273 118.700 -0.073 0.000 2.559 315 N HA 0.197 4.937 4.740 -0.000 0.000 0.247 315 N C -0.310 175.136 175.510 -0.107 0.000 1.063 315 N CA 0.222 53.230 53.050 -0.069 0.000 0.876 315 N CB 0.553 39.024 38.487 -0.027 0.000 1.608 315 N HN 0.253 nan 8.380 nan 0.000 0.467 316 Q N 0.852 120.547 119.800 -0.175 0.000 2.423 316 Q HA 0.502 4.842 4.340 -0.000 0.000 0.278 316 Q C -2.724 173.202 176.000 -0.123 0.000 1.097 316 Q CA -1.722 53.985 55.803 -0.160 0.000 0.809 316 Q CB 2.324 30.910 28.738 -0.253 0.000 1.391 316 Q HN -0.003 nan 8.270 nan 0.000 0.428 317 P HA 0.069 nan 4.420 nan 0.000 0.264 317 P C -0.567 176.742 177.300 0.014 0.000 1.193 317 P CA 0.128 63.218 63.100 -0.016 0.000 0.763 317 P CB 0.402 32.104 31.700 0.003 0.000 0.810 318 I N 2.930 123.501 120.570 0.002 0.000 2.306 318 I HA 0.169 4.339 4.170 -0.000 0.000 0.288 318 I C 1.411 177.553 176.117 0.042 0.000 1.036 318 I CA -0.557 60.763 61.300 0.033 0.000 1.221 318 I CB 0.270 38.266 38.000 -0.006 0.000 1.385 318 I HN 0.404 nan 8.210 nan 0.000 0.472 319 A N 5.546 128.404 122.820 0.063 0.000 1.933 319 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 319 A C 1.250 178.849 177.584 0.026 0.000 1.175 319 A CA 1.505 53.562 52.037 0.033 0.000 0.628 319 A CB 0.076 19.089 19.000 0.022 0.000 0.814 319 A HN 0.741 nan 8.150 nan 0.000 0.444 320 A N 0.326 123.168 122.820 0.037 0.000 2.893 320 A HA 0.584 4.904 4.320 -0.000 0.000 0.333 320 A C -2.938 174.664 177.584 0.029 0.000 1.152 320 A CA -1.437 50.616 52.037 0.028 0.000 0.782 320 A CB 0.546 19.562 19.000 0.027 0.000 1.108 320 A HN 0.217 nan 8.150 nan 0.000 0.469 321 P HA 0.331 nan 4.420 nan 0.000 0.282 321 P C -0.546 176.763 177.300 0.015 0.000 1.262 321 P CA -0.007 63.102 63.100 0.015 0.000 0.773 321 P CB 1.751 33.455 31.700 0.006 0.000 0.879 322 V N 5.087 125.011 119.914 0.017 0.000 2.349 322 V HA 0.178 4.298 4.120 -0.000 0.000 0.284 322 V C 0.344 176.447 176.094 0.015 0.000 1.014 322 V CA -0.727 61.583 62.300 0.017 0.000 0.826 322 V CB 1.849 33.684 31.823 0.020 0.000 1.009 322 V HN 0.276 nan 8.190 nan 0.000 0.431 323 V N 4.364 124.286 119.914 0.013 0.000 2.439 323 V HA 0.995 5.115 4.120 -0.000 0.000 0.282 323 V C 0.724 176.827 176.094 0.016 0.000 1.039 323 V CA 0.566 62.874 62.300 0.013 0.000 0.913 323 V CB 1.001 32.830 31.823 0.010 0.000 0.983 323 V HN 1.146 nan 8.190 nan 0.000 0.460 324 G N 4.070 112.881 108.800 0.020 0.000 2.356 324 G HA2 0.259 4.218 3.960 -0.000 0.000 0.300 324 G HA3 0.259 4.218 3.960 -0.000 0.000 0.300 324 G C -1.317 173.600 174.900 0.028 0.000 1.331 324 G CA -0.452 44.662 45.100 0.022 0.000 0.905 324 G HN 0.950 nan 8.290 nan 0.000 0.587 325 D N -0.769 119.649 120.400 0.030 0.000 2.382 325 D HA 0.389 5.029 4.640 -0.000 0.000 0.245 325 D C 1.581 177.900 176.300 0.030 0.000 1.120 325 D CA -0.618 53.404 54.000 0.038 0.000 0.890 325 D CB 1.162 41.984 40.800 0.036 0.000 1.201 325 D HN 0.393 nan 8.370 nan 0.000 0.433 326 I N 1.132 121.724 120.570 0.037 0.000 2.248 326 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 326 I C 2.491 178.616 176.117 0.014 0.000 1.107 326 I CA 1.239 62.556 61.300 0.028 0.000 1.373 326 I CB -0.317 37.706 38.000 0.038 0.000 1.055 326 I HN 0.605 nan 8.210 nan 0.000 0.418 327 K N 0.678 121.082 120.400 0.007 0.000 2.026 327 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 327 K C 2.239 178.839 176.600 -0.001 0.000 1.048 327 K CA 1.857 58.141 56.287 -0.005 0.000 0.929 327 K CB 0.018 32.509 32.500 -0.014 0.000 0.713 327 K HN 0.185 nan 8.250 nan 0.000 0.439 328 S N 0.481 116.184 115.700 0.004 0.000 2.383 328 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 328 S C 1.975 176.579 174.600 0.007 0.000 1.026 328 S CA 1.083 59.286 58.200 0.006 0.000 0.981 328 S CB -0.120 63.085 63.200 0.009 0.000 0.818 328 S HN 0.509 nan 8.310 nan 0.000 0.472 329 A N 1.107 123.933 122.820 0.011 0.000 1.872 329 A HA 0.027 4.347 4.320 -0.000 0.000 0.214 329 A C 2.313 179.903 177.584 0.010 0.000 1.187 329 A CA 1.201 53.245 52.037 0.012 0.000 0.614 329 A CB -0.836 18.174 19.000 0.017 0.000 0.826 329 A HN 0.325 nan 8.150 nan 0.000 0.442 330 V N -0.191 119.727 119.914 0.007 0.000 2.407 330 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 330 V C 2.812 178.906 176.094 0.000 0.000 1.055 330 V CA 2.229 64.531 62.300 0.003 0.000 1.049 330 V CB -0.698 31.123 31.823 -0.004 0.000 0.662 330 V HN 0.671 nan 8.190 nan 0.000 0.455 331 S N -0.181 115.518 115.700 -0.001 0.000 2.353 331 S HA -0.165 4.305 4.470 -0.000 0.000 0.222 331 S C 1.952 176.552 174.600 0.002 0.000 1.035 331 S CA 1.791 59.990 58.200 -0.002 0.000 1.025 331 S CB -0.312 62.887 63.200 -0.003 0.000 0.902 331 S HN 0.517 nan 8.310 nan 0.000 0.440 332 L N 0.680 121.906 121.223 0.004 0.000 2.083 332 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 332 L C 2.529 179.404 176.870 0.007 0.000 1.083 332 L CA 0.862 55.705 54.840 0.005 0.000 0.752 332 L CB -0.542 41.521 42.059 0.007 0.000 0.899 332 L HN 0.357 nan 8.230 nan 0.000 0.433 333 L N 0.284 121.512 121.223 0.008 0.000 2.056 333 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 333 L C 2.749 179.625 176.870 0.010 0.000 1.078 333 L CA 1.649 56.496 54.840 0.011 0.000 0.749 333 L CB -0.643 41.424 42.059 0.014 0.000 0.901 333 L HN 0.134 nan 8.230 nan 0.000 0.433 334 R N -0.210 120.294 120.500 0.007 0.000 2.083 334 R HA -0.217 4.123 4.340 -0.000 0.000 0.237 334 R C 2.240 178.544 176.300 0.007 0.000 1.137 334 R CA 2.055 58.158 56.100 0.006 0.000 0.951 334 R CB -0.191 30.109 30.300 0.001 0.000 0.851 334 R HN 0.381 nan 8.270 nan 0.000 0.434 335 K N -0.227 120.176 120.400 0.006 0.000 2.147 335 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 335 K C 2.001 178.605 176.600 0.007 0.000 1.049 335 K CA 1.284 57.575 56.287 0.006 0.000 0.936 335 K CB -0.083 32.420 32.500 0.004 0.000 0.722 335 K HN 0.258 nan 8.250 nan 0.000 0.446 336 A N 0.770 123.595 122.820 0.008 0.000 2.119 336 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 336 A C 1.804 179.394 177.584 0.010 0.000 1.153 336 A CA 0.930 52.972 52.037 0.009 0.000 0.692 336 A CB -0.195 18.810 19.000 0.009 0.000 0.799 336 A HN 0.168 nan 8.150 nan 0.000 0.458 337 L N -1.516 119.714 121.223 0.012 0.000 2.664 337 L HA 0.162 4.502 4.340 -0.000 0.000 0.233 337 L C 0.205 177.084 176.870 0.015 0.000 1.113 337 L CA -0.256 54.593 54.840 0.014 0.000 0.896 337 L CB 0.089 42.159 42.059 0.018 0.000 1.163 337 L HN 0.040 nan 8.230 nan 0.000 0.497 338 K N 0.715 121.123 120.400 0.012 0.000 2.472 338 K HA 0.241 4.561 4.320 -0.000 0.000 0.280 338 K C 1.037 177.644 176.600 0.012 0.000 1.028 338 K CA 1.191 57.485 56.287 0.012 0.000 1.045 338 K CB 0.325 32.830 32.500 0.009 0.000 0.902 338 K HN 0.224 nan 8.250 nan 0.000 0.478 339 G N 1.637 110.445 108.800 0.014 0.000 2.254 339 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.225 339 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.225 339 G C 0.274 175.184 174.900 0.015 0.000 1.003 339 G CA -0.145 44.963 45.100 0.013 0.000 0.622 339 G HN 0.875 nan 8.290 nan 0.000 0.507 340 A N 1.079 123.910 122.820 0.017 0.000 2.425 340 A HA 0.630 4.950 4.320 -0.000 0.000 0.242 340 A C -1.366 176.232 177.584 0.024 0.000 1.077 340 A CA -0.208 51.840 52.037 0.019 0.000 0.781 340 A CB -0.180 18.832 19.000 0.019 0.000 1.020 340 A HN 0.249 nan 8.150 nan 0.000 0.494 341 P HA 0.169 nan 4.420 nan 0.000 0.268 341 P C -0.283 177.041 177.300 0.040 0.000 1.204 341 P CA -0.005 63.113 63.100 0.030 0.000 0.768 341 P CB 0.487 32.203 31.700 0.027 0.000 0.842 342 K N 1.606 122.034 120.400 0.046 0.000 2.230 342 K HA 0.400 4.720 4.320 -0.000 0.000 0.253 342 K C 0.544 177.190 176.600 0.077 0.000 1.008 342 K CA -0.510 55.814 56.287 0.061 0.000 0.910 342 K CB 0.329 32.866 32.500 0.061 0.000 0.994 342 K HN 0.534 nan 8.250 nan 0.000 0.495 343 A N 1.591 124.473 122.820 0.104 0.000 2.577 343 A HA -0.101 4.219 4.320 -0.000 0.000 0.233 343 A C 0.100 177.776 177.584 0.153 0.000 1.076 343 A CA -0.014 52.111 52.037 0.146 0.000 0.767 343 A CB 0.045 19.177 19.000 0.221 0.000 1.017 343 A HN 0.758 nan 8.150 nan 0.000 0.511 344 D N 1.157 121.665 120.400 0.181 0.000 2.451 344 D HA 0.243 4.883 4.640 -0.000 0.000 0.254 344 D C 1.303 177.725 176.300 0.202 0.000 1.204 344 D CA 0.907 55.010 54.000 0.172 0.000 0.896 344 D CB 0.802 41.700 40.800 0.163 0.000 1.136 344 D HN 0.549 nan 8.370 nan 0.000 0.499 345 A N 4.404 127.301 122.820 0.128 0.000 2.024 345 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 345 A C 1.770 179.415 177.584 0.100 0.000 1.164 345 A CA 1.647 53.742 52.037 0.096 0.000 0.643 345 A CB -0.412 18.627 19.000 0.064 0.000 0.806 345 A HN 0.788 nan 8.150 nan 0.000 0.451 346 E N -1.669 118.610 120.200 0.132 0.000 2.435 346 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 346 E C 1.816 178.550 176.600 0.222 0.000 1.029 346 E CA 0.376 56.857 56.400 0.135 0.000 0.865 346 E CB -0.319 29.453 29.700 0.120 0.000 0.833 346 E HN 0.914 nan 8.360 nan 0.000 0.510 347 W N 2.806 124.131 121.300 0.043 0.000 2.601 347 W HA -0.112 4.547 4.660 -0.000 0.000 0.292 347 W C 1.971 178.525 176.519 0.059 0.000 1.153 347 W CA 1.595 58.976 57.345 0.060 0.000 1.448 347 W CB -0.100 29.391 29.460 0.051 0.000 1.113 347 W HN 0.155 nan 8.180 nan 0.000 0.548 348 T N -1.348 113.164 114.554 -0.071 0.000 2.833 348 T HA -0.082 4.267 4.350 -0.000 0.000 0.269 348 T C 1.910 176.511 174.700 -0.165 0.000 1.054 348 T CA 1.611 63.580 62.100 -0.217 0.000 1.135 348 T CB -1.117 67.728 68.868 -0.039 0.000 0.869 348 T HN 0.167 nan 8.240 nan 0.000 0.466 349 G N 1.071 109.829 108.800 -0.070 0.000 2.394 349 G HA2 0.168 4.128 3.960 -0.000 0.000 0.215 349 G HA3 0.168 4.128 3.960 -0.000 0.000 0.215 349 G C 1.902 176.743 174.900 -0.098 0.000 1.165 349 G CA 0.652 45.715 45.100 -0.061 0.000 0.784 349 G HN 0.715 nan 8.290 nan 0.000 0.535 350 A N 0.755 123.517 122.820 -0.096 0.000 1.877 350 A HA 0.088 4.408 4.320 -0.000 0.000 0.216 350 A C 2.430 179.872 177.584 -0.238 0.000 1.186 350 A CA 1.245 53.205 52.037 -0.128 0.000 0.620 350 A CB -0.452 18.533 19.000 -0.025 0.000 0.822 350 A HN 0.339 nan 8.150 nan 0.000 0.443 351 L N -0.867 120.165 121.223 -0.318 0.000 2.046 351 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 351 L C 2.621 179.347 176.870 -0.240 0.000 1.077 351 L CA 1.859 56.499 54.840 -0.334 0.000 0.747 351 L CB -0.472 41.302 42.059 -0.474 0.000 0.896 351 L HN 0.350 nan 8.230 nan 0.000 0.432 352 K N 0.833 121.113 120.400 -0.200 0.000 2.032 352 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 352 K C 2.038 178.561 176.600 -0.128 0.000 1.048 352 K CA 1.802 58.005 56.287 -0.141 0.000 0.927 352 K CB -0.499 31.939 32.500 -0.104 0.000 0.712 352 K HN 0.233 nan 8.250 nan 0.000 0.441 353 A N 0.296 123.036 122.820 -0.133 0.000 1.978 353 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 353 A C 1.988 179.487 177.584 -0.141 0.000 1.170 353 A CA 2.012 53.976 52.037 -0.121 0.000 0.636 353 A CB -0.469 18.460 19.000 -0.118 0.000 0.810 353 A HN 0.297 nan 8.150 nan 0.000 0.448 354 K N -0.577 119.711 120.400 -0.187 0.000 2.057 354 K HA 0.006 4.325 4.320 -0.000 0.000 0.206 354 K C 1.848 178.363 176.600 -0.142 0.000 1.050 354 K CA 1.249 57.418 56.287 -0.197 0.000 0.935 354 K CB -0.545 31.793 32.500 -0.271 0.000 0.715 354 K HN 0.253 nan 8.250 nan 0.000 0.439 355 V N 1.777 121.609 119.914 -0.136 0.000 2.237 355 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 355 V C 1.517 177.560 176.094 -0.085 0.000 1.046 355 V CA 2.124 64.359 62.300 -0.109 0.000 1.007 355 V CB -0.475 31.280 31.823 -0.113 0.000 0.638 355 V HN 0.338 nan 8.190 nan 0.000 0.445 356 D N 0.511 120.862 120.400 -0.082 0.000 2.158 356 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 356 D C 2.138 178.402 176.300 -0.060 0.000 0.995 356 D CA 1.706 55.668 54.000 -0.063 0.000 0.846 356 D CB -0.629 40.135 40.800 -0.060 0.000 0.941 356 D HN 0.495 nan 8.370 nan 0.000 0.456 357 G N 0.999 109.755 108.800 -0.072 0.000 2.433 357 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 357 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 357 G C 1.621 176.487 174.900 -0.057 0.000 1.186 357 G CA 0.472 45.532 45.100 -0.066 0.000 0.779 357 G HN 0.195 nan 8.290 nan 0.000 0.543 358 N N 0.657 119.319 118.700 -0.063 0.000 2.223 358 N HA -0.055 4.685 4.740 -0.000 0.000 0.185 358 N C 2.179 177.665 175.510 -0.040 0.000 1.016 358 N CA 0.843 53.862 53.050 -0.051 0.000 0.863 358 N CB -0.160 38.292 38.487 -0.058 0.000 0.983 358 N HN 0.388 nan 8.380 nan 0.000 0.429 359 K N 0.938 121.313 120.400 -0.042 0.000 2.057 359 K HA 0.021 4.341 4.320 -0.000 0.000 0.206 359 K C 2.094 178.679 176.600 -0.024 0.000 1.050 359 K CA 1.016 57.284 56.287 -0.031 0.000 0.935 359 K CB -0.094 32.386 32.500 -0.032 0.000 0.715 359 K HN 0.086 nan 8.250 nan 0.000 0.439 360 A N 2.002 124.805 122.820 -0.028 0.000 1.933 360 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 360 A C 2.067 179.640 177.584 -0.018 0.000 1.175 360 A CA 1.618 53.642 52.037 -0.022 0.000 0.628 360 A CB -0.348 18.636 19.000 -0.026 0.000 0.814 360 A HN 0.224 nan 8.150 nan 0.000 0.444 361 K N -0.899 119.488 120.400 -0.022 0.000 2.148 361 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 361 K C 1.821 178.415 176.600 -0.010 0.000 1.050 361 K CA 1.300 57.577 56.287 -0.017 0.000 0.942 361 K CB -0.202 32.285 32.500 -0.022 0.000 0.724 361 K HN 0.365 nan 8.250 nan 0.000 0.446 362 L N 0.678 121.895 121.223 -0.010 0.000 2.156 362 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 362 L C 2.070 178.941 176.870 0.002 0.000 1.095 362 L CA 1.638 56.477 54.840 -0.002 0.000 0.770 362 L CB -0.468 41.589 42.059 -0.003 0.000 0.914 362 L HN 0.158 nan 8.230 nan 0.000 0.439 363 A N -0.359 122.460 122.820 -0.002 0.000 1.908 363 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 363 A C 2.335 179.920 177.584 0.002 0.000 1.181 363 A CA 1.576 53.612 52.037 0.000 0.000 0.627 363 A CB -1.569 17.429 19.000 -0.004 0.000 0.818 363 A HN 0.503 nan 8.150 nan 0.000 0.445 364 G N -0.516 108.284 108.800 -0.001 0.000 2.422 364 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 364 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 364 G C 1.684 176.587 174.900 0.005 0.000 1.146 364 G CA 1.092 46.192 45.100 0.000 0.000 0.769 364 G HN 0.575 nan 8.290 nan 0.000 0.547 365 K N -0.308 120.096 120.400 0.008 0.000 2.025 365 K HA 0.077 4.396 4.320 -0.000 0.000 0.207 365 K C 2.622 179.232 176.600 0.016 0.000 1.049 365 K CA 1.113 57.408 56.287 0.014 0.000 0.933 365 K CB -0.242 32.270 32.500 0.019 0.000 0.714 365 K HN 0.279 nan 8.250 nan 0.000 0.438 366 M N 0.317 119.926 119.600 0.016 0.000 2.358 366 M HA -0.128 4.352 4.480 -0.000 0.000 0.264 366 M C 1.674 177.981 176.300 0.012 0.000 1.064 366 M CA 1.270 56.580 55.300 0.017 0.000 1.093 366 M CB -0.267 32.343 32.600 0.018 0.000 1.401 366 M HN 0.074 nan 8.290 nan 0.000 0.440 367 T N 0.500 115.060 114.554 0.009 0.000 3.067 367 T HA 0.227 4.577 4.350 -0.000 0.000 0.257 367 T C 0.822 175.525 174.700 0.005 0.000 1.105 367 T CA 0.241 62.345 62.100 0.006 0.000 1.104 367 T CB -0.147 68.724 68.868 0.004 0.000 0.925 367 T HN 0.438 nan 8.240 nan 0.000 0.498 368 A N 1.851 124.674 122.820 0.006 0.000 2.586 368 A HA 0.215 4.535 4.320 -0.000 0.000 0.231 368 A C 0.281 177.866 177.584 0.002 0.000 1.055 368 A CA 0.004 52.044 52.037 0.005 0.000 0.756 368 A CB 0.037 19.042 19.000 0.008 0.000 0.988 368 A HN 0.413 nan 8.150 nan 0.000 0.509 369 E N 0.265 120.465 120.200 0.001 0.000 2.204 369 E HA 0.586 4.936 4.350 -0.000 0.000 0.276 369 E C -0.047 176.552 176.600 -0.003 0.000 0.974 369 E CA 0.081 56.480 56.400 -0.002 0.000 0.815 369 E CB 1.154 30.854 29.700 -0.001 0.000 1.119 369 E HN 0.815 nan 8.360 nan 0.000 0.393 370 T N 1.352 115.901 114.554 -0.007 0.000 2.896 370 T HA 0.641 4.991 4.350 -0.000 0.000 0.297 370 T C -2.510 172.184 174.700 -0.010 0.000 1.108 370 T CA -2.002 60.092 62.100 -0.009 0.000 1.004 370 T CB 1.162 70.021 68.868 -0.016 0.000 1.159 370 T HN 0.244 nan 8.240 nan 0.000 0.499 371 P HA 0.297 nan 4.420 nan 0.000 0.269 371 P C -0.116 177.177 177.300 -0.012 0.000 1.209 371 P CA -0.281 62.814 63.100 -0.009 0.000 0.776 371 P CB 0.431 32.127 31.700 -0.007 0.000 0.876 372 S N 1.772 117.466 115.700 -0.010 0.000 2.563 372 S HA 0.281 4.751 4.470 -0.000 0.000 0.294 372 S C 1.457 176.049 174.600 -0.014 0.000 1.279 372 S CA 0.953 59.146 58.200 -0.012 0.000 1.069 372 S CB -1.122 62.073 63.200 -0.008 0.000 0.828 372 S HN 0.899 nan 8.310 nan 0.000 0.497 373 G N 4.232 113.021 108.800 -0.018 0.000 2.162 373 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.260 373 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.260 373 G C 0.227 175.111 174.900 -0.027 0.000 0.976 373 G CA 0.545 45.633 45.100 -0.020 0.000 0.655 373 G HN 0.717 nan 8.290 nan 0.000 0.533 374 M N 0.276 119.858 119.600 -0.031 0.000 3.402 374 M HA 0.380 4.859 4.480 -0.000 0.000 0.372 374 M C 0.543 176.814 176.300 -0.048 0.000 1.610 374 M CA -0.108 55.170 55.300 -0.036 0.000 0.650 374 M CB 0.362 32.949 32.600 -0.021 0.000 1.421 374 M HN 0.185 nan 8.290 nan 0.000 0.493 375 M N 1.599 121.157 119.600 -0.070 0.000 2.198 375 M HA 0.250 4.730 4.480 -0.000 0.000 0.315 375 M C 0.799 177.026 176.300 -0.122 0.000 1.134 375 M CA 0.402 55.653 55.300 -0.081 0.000 1.171 375 M CB 0.511 33.056 32.600 -0.092 0.000 1.413 375 M HN 0.443 nan 8.290 nan 0.000 0.467 376 N N -0.607 118.031 118.700 -0.102 0.000 2.813 376 N HA 0.242 4.982 4.740 -0.000 0.000 0.320 376 N C -0.207 175.204 175.510 -0.165 0.000 1.315 376 N CA -0.792 52.192 53.050 -0.110 0.000 0.871 376 N CB 0.626 39.119 38.487 0.009 0.000 1.241 376 N HN 0.528 nan 8.380 nan 0.000 0.602 377 Y N -0.246 120.062 120.300 0.013 0.000 2.516 377 Y HA 0.036 4.586 4.550 -0.000 0.000 0.291 377 Y C 2.512 178.418 175.900 0.010 0.000 1.131 377 Y CA 0.624 58.732 58.100 0.013 0.000 1.281 377 Y CB 0.194 38.665 38.460 0.018 0.000 1.013 377 Y HN 0.470 nan 8.280 nan 0.000 0.554 378 S N 0.281 116.056 115.700 0.125 0.000 2.356 378 S HA -0.134 4.336 4.470 -0.000 0.000 0.219 378 S C 1.888 176.513 174.600 0.041 0.000 1.036 378 S CA 1.151 59.397 58.200 0.078 0.000 0.965 378 S CB -0.370 62.866 63.200 0.060 0.000 0.864 378 S HN 0.648 nan 8.310 nan 0.000 0.471 379 N N 2.248 120.960 118.700 0.020 0.000 2.396 379 N HA -0.062 4.678 4.740 -0.000 0.000 0.180 379 N C 1.474 176.981 175.510 -0.005 0.000 1.028 379 N CA 1.543 54.596 53.050 0.005 0.000 0.893 379 N CB -0.675 37.810 38.487 -0.003 0.000 0.967 379 N HN 0.467 nan 8.380 nan 0.000 0.440 380 S N 0.872 116.561 115.700 -0.019 0.000 2.356 380 S HA 0.099 4.569 4.470 -0.000 0.000 0.219 380 S C 2.021 176.618 174.600 -0.006 0.000 1.036 380 S CA 0.212 58.392 58.200 -0.033 0.000 0.965 380 S CB -0.835 62.317 63.200 -0.080 0.000 0.864 380 S HN 0.224 nan 8.310 nan 0.000 0.471 381 L N 1.693 122.931 121.223 0.025 0.000 2.376 381 L HA 0.125 4.465 4.340 -0.000 0.000 0.219 381 L C 2.777 179.673 176.870 0.043 0.000 1.133 381 L CA 0.732 55.600 54.840 0.046 0.000 0.816 381 L CB -0.949 41.161 42.059 0.085 0.000 0.933 381 L HN 0.548 nan 8.230 nan 0.000 0.449 382 G N -0.258 108.563 108.800 0.035 0.000 2.432 382 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.219 382 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.219 382 G C 1.565 176.488 174.900 0.039 0.000 1.135 382 G CA 0.708 45.828 45.100 0.034 0.000 0.767 382 G HN 0.199 nan 8.290 nan 0.000 0.550 383 V N 0.508 120.439 119.914 0.030 0.000 2.358 383 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 383 V C 2.985 179.119 176.094 0.067 0.000 1.047 383 V CA 1.360 63.681 62.300 0.036 0.000 1.035 383 V CB -0.258 31.567 31.823 0.002 0.000 0.658 383 V HN 0.249 nan 8.190 nan 0.000 0.452 384 V N 0.220 120.163 119.914 0.049 0.000 2.407 384 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 384 V C 2.558 178.728 176.094 0.128 0.000 1.055 384 V CA 2.332 64.678 62.300 0.078 0.000 1.049 384 V CB -0.829 31.019 31.823 0.042 0.000 0.662 384 V HN 0.527 nan 8.190 nan 0.000 0.455 385 R N 0.396 120.948 120.500 0.088 0.000 2.097 385 R HA -0.229 4.111 4.340 -0.000 0.000 0.236 385 R C 2.063 178.410 176.300 0.080 0.000 1.135 385 R CA 2.438 58.583 56.100 0.075 0.000 0.934 385 R CB -0.492 29.840 30.300 0.052 0.000 0.846 385 R HN 0.478 nan 8.270 nan 0.000 0.431 386 D N -0.234 120.214 120.400 0.081 0.000 2.123 386 D HA -0.188 4.452 4.640 -0.000 0.000 0.196 386 D C 1.615 177.962 176.300 0.079 0.000 0.992 386 D CA 1.134 55.174 54.000 0.066 0.000 0.833 386 D CB -0.356 40.482 40.800 0.064 0.000 0.954 386 D HN 0.237 nan 8.370 nan 0.000 0.455 387 F N 0.844 120.793 119.950 -0.002 0.000 2.134 387 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 387 F C 2.196 177.997 175.800 0.002 0.000 1.097 387 F CA 1.069 59.067 58.000 -0.004 0.000 1.264 387 F CB -0.030 38.963 39.000 -0.011 0.000 1.001 387 F HN -0.178 nan 8.300 nan 0.000 0.479 388 M N -0.222 119.461 119.600 0.138 0.000 2.296 388 M HA -0.114 4.366 4.480 -0.000 0.000 0.265 388 M C 2.191 178.476 176.300 -0.026 0.000 1.064 388 M CA 1.240 56.576 55.300 0.060 0.000 1.109 388 M CB -1.225 31.442 32.600 0.111 0.000 1.396 388 M HN 0.258 nan 8.290 nan 0.000 0.430 389 L N -0.729 120.478 121.223 -0.026 0.000 2.156 389 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 389 L C 2.538 179.360 176.870 -0.081 0.000 1.095 389 L CA 0.860 55.679 54.840 -0.034 0.000 0.770 389 L CB -0.648 41.403 42.059 -0.014 0.000 0.914 389 L HN 0.230 nan 8.230 nan 0.000 0.439 390 A N -0.259 122.472 122.820 -0.149 0.000 1.975 390 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 390 A C 0.562 177.994 177.584 -0.253 0.000 1.170 390 A CA 0.716 52.635 52.037 -0.196 0.000 0.656 390 A CB -0.218 18.639 19.000 -0.237 0.000 0.821 390 A HN 0.426 nan 8.150 nan 0.000 0.449 391 N N -0.255 118.233 118.700 -0.353 0.000 2.904 391 N HA 0.349 5.089 4.740 -0.000 0.000 0.257 391 N C -2.580 172.847 175.510 -0.140 0.000 1.363 391 N CA -1.213 51.655 53.050 -0.304 0.000 0.856 391 N CB 1.373 39.527 38.487 -0.554 0.000 1.166 391 N HN 0.070 nan 8.380 nan 0.000 0.499 392 P HA -0.087 nan 4.420 nan 0.000 0.219 392 P C 0.131 177.430 177.300 -0.002 0.000 1.150 392 P CA 0.978 64.063 63.100 -0.025 0.000 0.814 392 P CB 0.302 31.989 31.700 -0.021 0.000 0.787 393 D N -0.081 120.314 120.400 -0.008 0.000 3.085 393 D HA 0.197 4.837 4.640 -0.000 0.000 0.243 393 D C -0.339 175.977 176.300 0.028 0.000 1.232 393 D CA 0.077 54.082 54.000 0.008 0.000 0.913 393 D CB -1.073 39.727 40.800 0.001 0.000 1.108 393 D HN 0.083 nan 8.370 nan 0.000 0.468 394 I N -0.063 120.535 120.570 0.046 0.000 2.686 394 I HA 0.204 4.374 4.170 -0.000 0.000 0.295 394 I C 0.043 176.203 176.117 0.073 0.000 1.114 394 I CA -0.892 60.452 61.300 0.073 0.000 1.038 394 I CB 2.248 40.320 38.000 0.120 0.000 1.238 394 I HN -0.205 nan 8.210 nan 0.000 0.420 395 S N 4.841 120.584 115.700 0.071 0.000 2.545 395 S HA 0.463 4.933 4.470 -0.000 0.000 0.275 395 S C -0.549 174.100 174.600 0.082 0.000 1.299 395 S CA -0.362 57.880 58.200 0.070 0.000 1.048 395 S CB 1.042 64.278 63.200 0.060 0.000 0.938 395 S HN 0.343 nan 8.310 nan 0.000 0.496 396 L N 5.166 126.441 121.223 0.086 0.000 2.318 396 L HA 0.502 4.842 4.340 -0.000 0.000 0.277 396 L C -0.895 176.033 176.870 0.097 0.000 1.008 396 L CA -0.335 54.557 54.840 0.087 0.000 0.846 396 L CB 0.949 43.059 42.059 0.085 0.000 1.220 396 L HN 0.413 nan 8.230 nan 0.000 0.423 397 V N 4.611 124.586 119.914 0.102 0.000 2.607 397 V HA 0.519 4.639 4.120 -0.000 0.000 0.289 397 V C -0.110 176.033 176.094 0.081 0.000 1.053 397 V CA -0.436 61.940 62.300 0.126 0.000 0.996 397 V CB 1.501 33.409 31.823 0.141 0.000 0.995 397 V HN 0.862 nan 8.190 nan 0.000 0.476 398 N N 2.983 121.724 118.700 0.069 0.000 2.406 398 N HA 0.503 5.243 4.740 -0.000 0.000 0.283 398 N C -1.405 174.108 175.510 0.005 0.000 1.074 398 N CA -0.629 52.444 53.050 0.039 0.000 0.916 398 N CB 2.065 40.582 38.487 0.050 0.000 1.639 398 N HN 0.932 nan 8.380 nan 0.000 0.485 399 E N 1.758 121.952 120.200 -0.009 0.000 2.388 399 E HA 0.707 5.057 4.350 -0.000 0.000 0.280 399 E C -0.409 176.179 176.600 -0.020 0.000 1.019 399 E CA -1.026 55.349 56.400 -0.042 0.000 0.806 399 E CB 1.386 31.017 29.700 -0.115 0.000 1.246 399 E HN 0.759 nan 8.360 nan 0.000 0.443 400 G N 0.192 108.974 108.800 -0.030 0.000 2.302 400 G HA2 0.401 4.361 3.960 -0.000 0.000 0.264 400 G HA3 0.401 4.361 3.960 -0.000 0.000 0.264 400 G C -0.306 174.592 174.900 -0.004 0.000 1.335 400 G CA 0.088 45.180 45.100 -0.013 0.000 0.982 400 G HN 0.969 nan 8.290 nan 0.000 0.473 401 A N -1.128 121.699 122.820 0.012 0.000 2.213 401 A HA 0.469 4.789 4.320 -0.000 0.000 0.220 401 A C 1.807 179.381 177.584 -0.017 0.000 2.232 401 A CA 1.276 53.348 52.037 0.058 0.000 1.017 401 A CB -0.501 18.617 19.000 0.196 0.000 1.372 401 A HN 0.545 nan 8.150 nan 0.000 0.614 402 N N 0.827 119.471 118.700 -0.094 0.000 2.166 402 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 402 N C 1.814 177.074 175.510 -0.416 0.000 1.019 402 N CA 1.417 54.227 53.050 -0.401 0.000 0.856 402 N CB -0.301 37.709 38.487 -0.796 0.000 0.993 402 N HN 0.484 nan 8.380 nan 0.000 0.426 403 A N 0.890 123.627 122.820 -0.138 0.000 2.015 403 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 403 A C 2.178 179.778 177.584 0.026 0.000 1.163 403 A CA 0.776 52.853 52.037 0.067 0.000 0.646 403 A CB -0.312 18.777 19.000 0.147 0.000 0.806 403 A HN 0.231 nan 8.150 nan 0.000 0.448 404 L N -0.391 120.828 121.223 -0.006 0.000 2.071 404 L HA 0.013 4.353 4.340 -0.000 0.000 0.201 404 L C 1.675 178.543 176.870 -0.002 0.000 1.076 404 L CA 2.207 57.051 54.840 0.007 0.000 0.755 404 L CB -0.575 41.492 42.059 0.013 0.000 0.915 404 L HN 0.276 nan 8.230 nan 0.000 0.445 405 D N 0.027 120.412 120.400 -0.024 0.000 2.104 405 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 405 D C 1.794 178.074 176.300 -0.032 0.000 0.994 405 D CA 1.459 55.442 54.000 -0.028 0.000 0.830 405 D CB -0.310 40.465 40.800 -0.041 0.000 0.959 405 D HN 0.446 nan 8.370 nan 0.000 0.452 406 N N 0.233 118.898 118.700 -0.058 0.000 2.188 406 N HA -0.080 4.659 4.740 -0.000 0.000 0.184 406 N C 1.844 177.371 175.510 0.028 0.000 1.018 406 N CA 0.951 53.990 53.050 -0.017 0.000 0.858 406 N CB -0.354 38.124 38.487 -0.016 0.000 0.989 406 N HN 0.163 nan 8.380 nan 0.000 0.426 407 T N 1.139 115.716 114.554 0.038 0.000 2.777 407 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 407 T C 1.969 176.692 174.700 0.038 0.000 1.040 407 T CA 0.764 62.894 62.100 0.050 0.000 1.141 407 T CB 0.040 68.941 68.868 0.055 0.000 0.868 407 T HN 0.269 nan 8.240 nan 0.000 0.444 408 R N 0.519 121.035 120.500 0.026 0.000 2.105 408 R HA -0.032 4.308 4.340 -0.000 0.000 0.239 408 R C 2.470 178.780 176.300 0.016 0.000 1.135 408 R CA 1.493 57.606 56.100 0.022 0.000 0.967 408 R CB -0.282 30.025 30.300 0.013 0.000 0.861 408 R HN 0.409 nan 8.270 nan 0.000 0.442 409 M N -0.264 119.341 119.600 0.009 0.000 2.236 409 M HA -0.037 4.443 4.480 -0.000 0.000 0.266 409 M C 1.630 177.937 176.300 0.011 0.000 1.070 409 M CA 1.500 56.801 55.300 0.003 0.000 1.137 409 M CB 0.201 32.798 32.600 -0.005 0.000 1.378 409 M HN 0.176 nan 8.290 nan 0.000 0.426 410 I N -0.320 120.265 120.570 0.024 0.000 2.494 410 I HA -0.013 4.156 4.170 -0.000 0.000 0.250 410 I C 0.318 176.456 176.117 0.036 0.000 1.112 410 I CA 0.003 61.322 61.300 0.031 0.000 1.438 410 I CB 0.409 38.435 38.000 0.043 0.000 1.111 410 I HN -0.086 nan 8.210 nan 0.000 0.431 411 V N 2.983 122.923 119.914 0.043 0.000 2.372 411 V HA 0.065 4.185 4.120 -0.000 0.000 0.261 411 V C -0.659 175.464 176.094 0.049 0.000 1.055 411 V CA -0.281 62.050 62.300 0.051 0.000 0.930 411 V CB 0.149 32.009 31.823 0.061 0.000 1.031 411 V HN 0.133 nan 8.190 nan 0.000 0.479 412 D N 5.370 125.798 120.400 0.045 0.000 2.390 412 D HA 0.320 4.960 4.640 -0.000 0.000 0.249 412 D C 0.049 176.381 176.300 0.053 0.000 1.144 412 D CA 0.056 54.084 54.000 0.046 0.000 0.880 412 D CB 0.811 41.634 40.800 0.039 0.000 1.182 412 D HN 0.219 nan 8.370 nan 0.000 0.451 413 M N 2.639 122.275 119.600 0.060 0.000 2.268 413 M HA 0.241 4.721 4.480 -0.000 0.000 0.344 413 M C 0.724 177.061 176.300 0.061 0.000 1.106 413 M CA -0.346 54.991 55.300 0.061 0.000 1.010 413 M CB 1.539 34.181 32.600 0.069 0.000 1.649 413 M HN 0.349 nan 8.290 nan 0.000 0.443 414 L N 0.775 122.026 121.223 0.047 0.000 2.515 414 L HA 0.200 4.540 4.340 -0.000 0.000 0.223 414 L C 0.644 177.536 176.870 0.037 0.000 1.079 414 L CA 0.553 55.419 54.840 0.043 0.000 0.857 414 L CB 0.152 42.226 42.059 0.025 0.000 1.050 414 L HN 0.622 nan 8.230 nan 0.000 0.476 415 K N 0.206 120.626 120.400 0.033 0.000 2.267 415 K HA 0.440 4.760 4.320 -0.000 0.000 0.246 415 K C -2.509 174.109 176.600 0.030 0.000 0.954 415 K CA -1.910 54.392 56.287 0.023 0.000 0.824 415 K CB 1.945 34.453 32.500 0.014 0.000 1.167 415 K HN -0.292 nan 8.250 nan 0.000 0.431 416 P HA 0.174 nan 4.420 nan 0.000 0.274 416 P C -1.005 176.305 177.300 0.016 0.000 1.231 416 P CA -0.263 62.847 63.100 0.016 0.000 0.790 416 P CB 0.522 32.213 31.700 -0.014 0.000 0.951 417 R N -0.138 120.394 120.500 0.052 0.000 3.627 417 R HA -0.200 4.140 4.340 -0.000 0.000 0.281 417 R C 0.768 177.124 176.300 0.094 0.000 1.140 417 R CA 0.577 56.725 56.100 0.080 0.000 0.761 417 R CB -1.212 29.020 30.300 -0.114 0.000 1.181 417 R HN 0.468 nan 8.270 nan 0.000 0.472 418 K N 0.404 120.858 120.400 0.090 0.000 2.244 418 K HA 0.067 4.387 4.320 -0.000 0.000 0.200 418 K C 0.965 177.622 176.600 0.094 0.000 1.052 418 K CA 0.278 56.611 56.287 0.077 0.000 0.980 418 K CB 0.152 32.689 32.500 0.062 0.000 0.838 418 K HN 0.219 nan 8.250 nan 0.000 0.481 419 R N 1.719 122.281 120.500 0.103 0.000 2.316 419 R HA 0.203 4.543 4.340 -0.000 0.000 0.314 419 R C -0.810 175.551 176.300 0.101 0.000 1.069 419 R CA 0.038 56.197 56.100 0.099 0.000 0.959 419 R CB 0.076 30.429 30.300 0.089 0.000 0.987 419 R HN -0.040 nan 8.270 nan 0.000 0.446 420 L N 5.578 126.867 121.223 0.111 0.000 2.388 420 L HA 0.367 4.707 4.340 -0.000 0.000 0.267 420 L C -0.824 176.192 176.870 0.245 0.000 0.995 420 L CA -0.902 54.020 54.840 0.137 0.000 0.864 420 L CB 1.375 43.495 42.059 0.101 0.000 1.216 420 L HN 0.750 nan 8.230 nan 0.000 0.430 421 D N -0.126 120.393 120.400 0.198 0.000 2.666 421 D HA 0.303 4.943 4.640 -0.000 0.000 0.252 421 D C 0.856 177.223 176.300 0.113 0.000 1.143 421 D CA -0.716 53.363 54.000 0.131 0.000 1.096 421 D CB 0.649 41.493 40.800 0.073 0.000 1.260 421 D HN 0.080 nan 8.370 nan 0.000 0.633 422 S N -1.092 114.621 115.700 0.022 0.000 2.440 422 S HA 0.177 4.647 4.470 -0.000 0.000 0.240 422 S C 1.345 176.011 174.600 0.109 0.000 1.014 422 S CA 1.105 59.303 58.200 -0.003 0.000 0.980 422 S CB -1.188 62.007 63.200 -0.009 0.000 0.775 422 S HN 0.973 nan 8.310 nan 0.000 0.499 423 G N 0.700 109.570 108.800 0.118 0.000 2.601 423 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.252 423 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.252 423 G C 0.688 175.666 174.900 0.130 0.000 1.294 423 G CA 0.178 45.329 45.100 0.085 0.000 0.912 423 G HN 0.240 nan 8.290 nan 0.000 0.574 424 T N -0.412 114.166 114.554 0.040 0.000 2.699 424 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 424 T C 1.609 176.594 174.700 0.476 0.000 1.036 424 T CA 2.447 64.644 62.100 0.163 0.000 1.147 424 T CB -0.144 68.665 68.868 -0.098 0.000 0.862 424 T HN 0.435 nan 8.240 nan 0.000 0.446 425 W N 1.068 122.458 121.300 0.150 0.000 3.353 425 W HA 0.464 5.124 4.660 -0.000 0.000 0.304 425 W C 1.569 178.102 176.519 0.023 0.000 1.273 425 W CA -0.621 56.766 57.345 0.070 0.000 1.773 425 W CB -1.063 28.421 29.460 0.040 0.000 1.095 425 W HN 0.433 nan 8.180 nan 0.000 0.676 426 G N 1.528 110.513 108.800 0.309 0.000 2.341 426 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.292 426 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.292 426 G C 0.121 175.022 174.900 0.001 0.000 1.021 426 G CA 0.248 45.441 45.100 0.156 0.000 0.905 426 G HN -0.007 nan 8.290 nan 0.000 0.508 427 V N 1.955 121.868 119.914 -0.003 0.000 2.585 427 V HA 0.241 4.361 4.120 -0.000 0.000 0.296 427 V C 1.108 176.996 176.094 -0.343 0.000 1.035 427 V CA 0.026 62.221 62.300 -0.175 0.000 1.084 427 V CB 1.021 32.727 31.823 -0.195 0.000 0.953 427 V HN 0.405 nan 8.190 nan 0.000 0.483 428 M N 4.200 123.489 119.600 -0.517 0.000 2.146 428 M HA 0.465 4.945 4.480 -0.000 0.000 0.357 428 M C 1.035 176.889 176.300 -0.743 0.000 1.261 428 M CA 0.342 55.205 55.300 -0.728 0.000 1.106 428 M CB 0.151 32.043 32.600 -1.180 0.000 1.612 428 M HN 0.977 nan 8.290 nan 0.000 0.470 429 G N 2.953 111.473 108.800 -0.466 0.000 2.273 429 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.162 429 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.162 429 G C 0.288 174.997 174.900 -0.318 0.000 1.006 429 G CA 0.073 45.059 45.100 -0.189 0.000 0.704 429 G HN 0.702 nan 8.290 nan 0.000 0.487 430 I N 0.088 120.222 120.570 -0.727 0.000 3.428 430 I HA 0.434 4.604 4.170 -0.000 0.000 0.286 430 I C 2.162 177.877 176.117 -0.669 0.000 1.287 430 I CA 1.095 61.735 61.300 -1.100 0.000 1.396 430 I CB -0.776 36.250 38.000 -1.623 0.000 1.062 430 I HN 0.095 nan 8.210 nan 0.000 0.471 431 G N 1.473 110.062 108.800 -0.352 0.000 2.552 431 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 431 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 431 G C 1.447 176.332 174.900 -0.025 0.000 1.240 431 G CA 1.136 46.142 45.100 -0.156 0.000 0.796 431 G HN 0.274 nan 8.290 nan 0.000 0.568 432 M N 1.246 120.831 119.600 -0.025 0.000 2.229 432 M HA 0.061 4.541 4.480 -0.000 0.000 0.264 432 M C 2.801 179.191 176.300 0.150 0.000 1.063 432 M CA 1.033 56.359 55.300 0.044 0.000 1.114 432 M CB -1.635 30.939 32.600 -0.045 0.000 1.387 432 M HN 0.303 nan 8.290 nan 0.000 0.420 433 G N -0.916 108.004 108.800 0.200 0.000 2.421 433 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 433 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 433 G C 1.345 176.437 174.900 0.319 0.000 1.171 433 G CA 0.452 45.755 45.100 0.338 0.000 0.775 433 G HN 0.285 nan 8.290 nan 0.000 0.543 434 Y N 0.677 121.007 120.300 0.051 0.000 2.224 434 Y HA -0.111 4.439 4.550 -0.000 0.000 0.289 434 Y C 3.146 179.057 175.900 0.018 0.000 1.146 434 Y CA -0.043 58.066 58.100 0.014 0.000 1.182 434 Y CB -1.059 37.403 38.460 0.003 0.000 0.983 434 Y HN 0.219 nan 8.280 nan 0.000 0.524 435 C N -1.223 118.199 119.300 0.204 0.000 2.413 435 C HA -0.139 4.321 4.460 -0.000 0.000 0.276 435 C C 2.876 177.910 174.990 0.073 0.000 1.248 435 C CA 0.967 60.058 59.018 0.121 0.000 1.742 435 C CB -1.224 26.581 27.740 0.109 0.000 2.017 435 C HN 0.325 nan 8.230 nan 0.000 0.481 436 V N 1.267 121.227 119.914 0.077 0.000 2.295 436 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 436 V C 2.699 178.749 176.094 -0.072 0.000 1.049 436 V CA 2.283 64.572 62.300 -0.018 0.000 1.024 436 V CB -1.289 30.535 31.823 0.001 0.000 0.648 436 V HN 0.599 nan 8.190 nan 0.000 0.447 437 A N -0.044 122.746 122.820 -0.050 0.000 1.902 437 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 437 A C 2.436 180.009 177.584 -0.019 0.000 1.181 437 A CA 2.064 54.053 52.037 -0.081 0.000 0.623 437 A CB -0.857 17.997 19.000 -0.244 0.000 0.818 437 A HN 0.564 nan 8.150 nan 0.000 0.443 438 A N -0.034 122.775 122.820 -0.018 0.000 1.883 438 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 438 A C 2.530 180.126 177.584 0.020 0.000 1.186 438 A CA 2.378 54.415 52.037 0.001 0.000 0.624 438 A CB -1.103 17.908 19.000 0.020 0.000 0.822 438 A HN 1.085 nan 8.150 nan 0.000 0.444 439 A N -0.249 122.584 122.820 0.021 0.000 1.877 439 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 439 A C 2.543 180.148 177.584 0.036 0.000 1.186 439 A CA 2.221 54.278 52.037 0.032 0.000 0.620 439 A CB -1.122 17.899 19.000 0.034 0.000 0.822 439 A HN 1.112 nan 8.150 nan 0.000 0.443 440 A N -0.184 122.638 122.820 0.003 0.000 1.883 440 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 440 A C 2.283 179.926 177.584 0.097 0.000 1.186 440 A CA 2.447 54.511 52.037 0.044 0.000 0.624 440 A CB -1.156 17.802 19.000 -0.070 0.000 0.822 440 A HN 1.251 nan 8.150 nan 0.000 0.444 441 V N -2.424 117.540 119.914 0.083 0.000 3.406 441 V HA 0.009 4.129 4.120 -0.000 0.000 0.263 441 V C 1.935 178.056 176.094 0.044 0.000 1.172 441 V CA 2.063 64.408 62.300 0.075 0.000 1.140 441 V CB -0.854 31.012 31.823 0.071 0.000 0.784 441 V HN 0.680 nan 8.190 nan 0.000 0.467 442 T N -3.572 111.005 114.554 0.038 0.000 3.034 442 T HA 0.354 4.704 4.350 -0.000 0.000 0.248 442 T C 1.825 176.546 174.700 0.036 0.000 1.040 442 T CA 0.999 63.116 62.100 0.028 0.000 1.107 442 T CB 0.058 68.941 68.868 0.024 0.000 0.932 442 T HN 1.607 nan 8.240 nan 0.000 0.474 443 G N 1.722 110.551 108.800 0.048 0.000 2.179 443 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.257 443 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.257 443 G C -0.112 174.817 174.900 0.048 0.000 1.010 443 G CA 0.624 45.756 45.100 0.053 0.000 0.736 443 G HN 0.748 nan 8.290 nan 0.000 0.513 444 K N -0.482 119.946 120.400 0.047 0.000 2.378 444 K HA 0.593 4.913 4.320 -0.000 0.000 0.244 444 K C -2.743 173.892 176.600 0.058 0.000 1.039 444 K CA -2.356 53.960 56.287 0.049 0.000 0.863 444 K CB 1.808 34.332 32.500 0.040 0.000 1.326 444 K HN -0.067 nan 8.250 nan 0.000 0.460 445 P HA 0.102 nan 4.420 nan 0.000 0.269 445 P C -1.181 176.165 177.300 0.077 0.000 1.215 445 P CA -0.383 62.763 63.100 0.077 0.000 0.780 445 P CB 0.588 32.346 31.700 0.097 0.000 0.898 446 V N 3.303 123.261 119.914 0.073 0.000 2.709 446 V HA 0.456 4.576 4.120 -0.000 0.000 0.308 446 V C -0.022 176.109 176.094 0.061 0.000 1.062 446 V CA -0.485 61.857 62.300 0.071 0.000 0.901 446 V CB 1.941 33.804 31.823 0.067 0.000 1.003 446 V HN 0.383 nan 8.190 nan 0.000 0.425 447 I N 3.013 123.620 120.570 0.061 0.000 2.509 447 I HA 0.813 4.983 4.170 -0.000 0.000 0.293 447 I C -0.025 176.116 176.117 0.041 0.000 1.020 447 I CA -0.686 60.633 61.300 0.031 0.000 1.088 447 I CB 2.118 40.134 38.000 0.026 0.000 1.267 447 I HN 0.717 nan 8.210 nan 0.000 0.430 448 A N 6.002 128.836 122.820 0.023 0.000 2.343 448 A HA 0.714 5.034 4.320 -0.000 0.000 0.308 448 A C -0.949 176.640 177.584 0.008 0.000 1.092 448 A CA -0.479 51.579 52.037 0.035 0.000 0.751 448 A CB 1.361 20.393 19.000 0.054 0.000 1.203 448 A HN 0.410 nan 8.150 nan 0.000 0.452 449 V N 4.046 123.971 119.914 0.018 0.000 2.318 449 V HA 0.334 4.454 4.120 -0.000 0.000 0.271 449 V C -0.388 175.718 176.094 0.019 0.000 1.030 449 V CA -0.311 61.996 62.300 0.011 0.000 0.844 449 V CB 0.712 32.551 31.823 0.028 0.000 1.015 449 V HN 0.853 nan 8.190 nan 0.000 0.460 450 E N 3.359 123.559 120.200 0.000 0.000 2.187 450 E HA 0.468 4.818 4.350 -0.000 0.000 0.268 450 E C 0.368 176.976 176.600 0.013 0.000 0.896 450 E CA -0.429 55.980 56.400 0.016 0.000 0.766 450 E CB 2.586 32.307 29.700 0.035 0.000 1.142 450 E HN 0.686 nan 8.360 nan 0.000 0.408 451 G N 1.831 110.659 108.800 0.046 0.000 2.594 451 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.243 451 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.243 451 G C 0.743 175.671 174.900 0.046 0.000 1.229 451 G CA -0.265 44.873 45.100 0.062 0.000 0.843 451 G HN 0.524 nan 8.290 nan 0.000 0.578 452 D N 0.019 120.442 120.400 0.038 0.000 2.144 452 D HA -0.166 4.474 4.640 -0.000 0.000 0.200 452 D C 2.174 178.545 176.300 0.119 0.000 0.978 452 D CA 1.405 55.417 54.000 0.020 0.000 0.833 452 D CB -0.573 40.278 40.800 0.085 0.000 0.961 452 D HN 0.331 nan 8.370 nan 0.000 0.470 453 S N 0.316 116.081 115.700 0.110 0.000 2.348 453 S HA -0.072 4.398 4.470 -0.000 0.000 0.221 453 S C 2.196 176.948 174.600 0.253 0.000 1.033 453 S CA 1.706 59.986 58.200 0.134 0.000 1.010 453 S CB -0.635 62.610 63.200 0.076 0.000 0.891 453 S HN 0.412 nan 8.310 nan 0.000 0.442 454 A N 0.964 123.901 122.820 0.196 0.000 1.892 454 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 454 A C 2.016 179.742 177.584 0.237 0.000 1.188 454 A CA 1.942 54.087 52.037 0.179 0.000 0.631 454 A CB -1.315 17.699 19.000 0.023 0.000 0.822 454 A HN 0.705 nan 8.150 nan 0.000 0.447 455 F N 1.347 121.305 119.950 0.013 0.000 2.120 455 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 455 F C 2.279 178.073 175.800 -0.011 0.000 1.095 455 F CA 1.642 59.607 58.000 -0.059 0.000 1.249 455 F CB -0.823 38.049 39.000 -0.213 0.000 0.995 455 F HN 0.197 nan 8.300 nan 0.000 0.480 456 G N -0.689 108.079 108.800 -0.054 0.000 2.485 456 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.221 456 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.221 456 G C 1.500 176.238 174.900 -0.269 0.000 1.115 456 G CA 0.893 45.878 45.100 -0.192 0.000 0.751 456 G HN 0.433 nan 8.290 nan 0.000 0.567 457 F N 1.195 121.023 119.950 -0.203 0.000 2.502 457 F HA 0.080 4.607 4.527 -0.000 0.000 0.298 457 F C 2.350 178.032 175.800 -0.198 0.000 1.111 457 F CA 1.263 59.174 58.000 -0.148 0.000 1.445 457 F CB 0.376 39.319 39.000 -0.096 0.000 1.081 457 F HN 0.263 nan 8.300 nan 0.000 0.558 458 S N -2.232 113.311 115.700 -0.263 0.000 2.993 458 S HA 0.257 4.727 4.470 -0.000 0.000 0.257 458 S C 1.713 175.941 174.600 -0.620 0.000 0.997 458 S CA 0.103 57.946 58.200 -0.595 0.000 1.191 458 S CB -0.479 62.338 63.200 -0.639 0.000 1.143 458 S HN 0.198 nan 8.310 nan 0.000 0.655 459 G N 2.440 110.755 108.800 -0.808 0.000 2.475 459 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 459 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 459 G C 1.204 175.908 174.900 -0.327 0.000 1.125 459 G CA 1.357 45.845 45.100 -1.021 0.000 0.755 459 G HN 0.498 nan 8.290 nan 0.000 0.565 460 M N 0.769 120.242 119.600 -0.212 0.000 2.358 460 M HA 0.021 4.501 4.480 -0.000 0.000 0.264 460 M C 1.883 178.097 176.300 -0.143 0.000 1.064 460 M CA 0.954 56.194 55.300 -0.101 0.000 1.093 460 M CB -0.159 32.416 32.600 -0.041 0.000 1.401 460 M HN 0.077 nan 8.290 nan 0.000 0.440 461 E N -0.316 119.801 120.200 -0.139 0.000 2.515 461 E HA -0.101 4.249 4.350 -0.000 0.000 0.201 461 E C 1.766 178.323 176.600 -0.072 0.000 1.071 461 E CA 0.390 56.745 56.400 -0.076 0.000 0.880 461 E CB -0.485 29.201 29.700 -0.022 0.000 0.828 461 E HN 0.387 nan 8.360 nan 0.000 0.540 462 L N 1.500 122.695 121.223 -0.046 0.000 2.127 462 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 462 L C 2.287 179.120 176.870 -0.063 0.000 1.089 462 L CA 1.583 56.456 54.840 0.054 0.000 0.757 462 L CB -0.398 41.798 42.059 0.228 0.000 0.899 462 L HN 0.075 nan 8.230 nan 0.000 0.434 463 E N -1.043 118.946 120.200 -0.351 0.000 2.150 463 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 463 E C 1.843 178.305 176.600 -0.230 0.000 0.985 463 E CA 1.637 57.712 56.400 -0.541 0.000 0.814 463 E CB 0.115 29.201 29.700 -1.024 0.000 0.752 463 E HN 0.475 nan 8.360 nan 0.000 0.466 464 T N 1.458 115.914 114.554 -0.163 0.000 2.777 464 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 464 T C 2.083 176.786 174.700 0.004 0.000 1.040 464 T CA 1.214 63.256 62.100 -0.097 0.000 1.141 464 T CB -0.166 68.591 68.868 -0.185 0.000 0.868 464 T HN 0.174 nan 8.240 nan 0.000 0.444 465 I N 0.803 121.376 120.570 0.005 0.000 2.208 465 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 465 I C 2.564 178.729 176.117 0.081 0.000 1.097 465 I CA 0.913 62.253 61.300 0.066 0.000 1.363 465 I CB -0.421 37.620 38.000 0.069 0.000 1.051 465 I HN 0.347 nan 8.210 nan 0.000 0.413 466 C N -0.033 119.297 119.300 0.050 0.000 2.466 466 C HA -0.106 4.354 4.460 -0.000 0.000 0.278 466 C C 2.922 177.913 174.990 0.002 0.000 1.288 466 C CA 0.532 59.585 59.018 0.059 0.000 1.722 466 C CB -1.093 26.710 27.740 0.105 0.000 2.017 466 C HN 0.462 nan 8.230 nan 0.000 0.488 467 R N -0.103 120.340 120.500 -0.094 0.000 2.105 467 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 467 R C 1.184 177.258 176.300 -0.377 0.000 1.135 467 R CA 1.839 57.775 56.100 -0.274 0.000 0.967 467 R CB -0.310 29.724 30.300 -0.444 0.000 0.861 467 R HN 0.677 nan 8.270 nan 0.000 0.442 468 Y N -0.255 120.080 120.300 0.059 0.000 2.468 468 Y HA 0.190 4.740 4.550 -0.000 0.000 0.268 468 Y C 0.304 176.259 175.900 0.091 0.000 1.177 468 Y CA -0.246 57.914 58.100 0.100 0.000 1.265 468 Y CB 0.139 38.717 38.460 0.197 0.000 1.103 468 Y HN 0.141 nan 8.280 nan 0.000 0.522 469 N N 1.325 120.109 118.700 0.140 0.000 2.707 469 N HA -0.219 4.521 4.740 -0.000 0.000 0.253 469 N C -1.045 174.544 175.510 0.131 0.000 0.998 469 N CA 0.346 53.465 53.050 0.115 0.000 0.751 469 N CB -1.149 37.393 38.487 0.092 0.000 0.920 469 N HN 0.373 nan 8.380 nan 0.000 0.539 470 L N 0.262 121.571 121.223 0.143 0.000 2.371 470 L HA 0.345 4.685 4.340 -0.000 0.000 0.272 470 L C -1.289 175.639 176.870 0.096 0.000 1.124 470 L CA -1.682 53.232 54.840 0.123 0.000 0.816 470 L CB 0.633 42.761 42.059 0.115 0.000 1.129 470 L HN 0.116 nan 8.230 nan 0.000 0.448 471 P HA 0.090 nan 4.420 nan 0.000 0.230 471 P C -0.733 176.609 177.300 0.070 0.000 1.791 471 P CA 0.085 63.230 63.100 0.077 0.000 1.020 471 P CB 0.056 31.800 31.700 0.074 0.000 1.977 472 V N 1.750 121.707 119.914 0.070 0.000 2.495 472 V HA 0.362 4.482 4.120 -0.000 0.000 0.298 472 V C 0.464 176.589 176.094 0.051 0.000 1.031 472 V CA -0.149 62.188 62.300 0.063 0.000 0.871 472 V CB 2.152 34.018 31.823 0.071 0.000 0.988 472 V HN 0.158 nan 8.190 nan 0.000 0.432 473 T N 4.230 118.799 114.554 0.024 0.000 2.809 473 T HA 0.460 4.810 4.350 -0.000 0.000 0.296 473 T C -0.364 174.324 174.700 -0.020 0.000 1.015 473 T CA -0.287 61.806 62.100 -0.012 0.000 0.954 473 T CB 1.300 70.121 68.868 -0.077 0.000 0.950 473 T HN 0.342 nan 8.240 nan 0.000 0.450 474 V N 5.741 125.647 119.914 -0.015 0.000 2.383 474 V HA 0.431 4.551 4.120 -0.000 0.000 0.275 474 V C 0.106 176.140 176.094 -0.101 0.000 1.036 474 V CA -0.685 61.592 62.300 -0.039 0.000 0.889 474 V CB 0.917 32.727 31.823 -0.022 0.000 0.985 474 V HN 0.795 nan 8.190 nan 0.000 0.459 475 I N 6.106 126.613 120.570 -0.106 0.000 2.328 475 I HA 0.359 4.529 4.170 -0.000 0.000 0.287 475 I C -0.416 175.610 176.117 -0.152 0.000 1.012 475 I CA -0.437 60.790 61.300 -0.122 0.000 1.195 475 I CB 1.229 39.171 38.000 -0.097 0.000 1.350 475 I HN 0.349 nan 8.210 nan 0.000 0.464 476 I N 7.064 127.508 120.570 -0.210 0.000 2.352 476 I HA 0.194 4.364 4.170 -0.000 0.000 0.290 476 I C 0.367 176.406 176.117 -0.130 0.000 1.036 476 I CA -0.421 60.720 61.300 -0.265 0.000 1.336 476 I CB 1.217 38.951 38.000 -0.444 0.000 1.407 476 I HN 0.484 nan 8.210 nan 0.000 0.497 477 M N 5.625 125.179 119.600 -0.076 0.000 2.974 477 M HA 0.101 4.581 4.480 -0.000 0.000 0.301 477 M C 0.353 176.644 176.300 -0.014 0.000 1.409 477 M CA -0.180 55.101 55.300 -0.033 0.000 1.515 477 M CB -1.136 31.505 32.600 0.069 0.000 1.163 477 M HN 0.336 nan 8.290 nan 0.000 0.520 478 N N 3.520 122.209 118.700 -0.018 0.000 2.549 478 N HA 0.001 4.741 4.740 -0.000 0.000 0.267 478 N C 0.535 176.059 175.510 0.023 0.000 1.182 478 N CA 0.167 53.242 53.050 0.042 0.000 1.019 478 N CB 0.240 38.777 38.487 0.084 0.000 1.380 478 N HN 0.440 nan 8.380 nan 0.000 0.505 479 N N 1.808 120.534 118.700 0.044 0.000 2.236 479 N HA 0.069 4.809 4.740 -0.000 0.000 0.196 479 N C 0.856 176.404 175.510 0.063 0.000 1.114 479 N CA 0.472 53.547 53.050 0.041 0.000 0.859 479 N CB 0.077 38.613 38.487 0.082 0.000 0.982 479 N HN 0.359 nan 8.380 nan 0.000 0.493 480 G N -1.187 107.660 108.800 0.078 0.000 2.142 480 G HA2 0.157 4.117 3.960 -0.000 0.000 0.225 480 G HA3 0.157 4.117 3.960 -0.000 0.000 0.225 480 G C 0.261 175.203 174.900 0.071 0.000 1.015 480 G CA 0.267 45.411 45.100 0.073 0.000 0.716 480 G HN 1.010 nan 8.290 nan 0.000 0.508 481 G N -1.402 107.444 108.800 0.077 0.000 2.327 481 G HA2 0.472 4.432 3.960 -0.000 0.000 0.291 481 G HA3 0.472 4.432 3.960 -0.000 0.000 0.291 481 G C -0.793 174.122 174.900 0.024 0.000 1.290 481 G CA -0.444 44.688 45.100 0.054 0.000 0.857 481 G HN 0.841 nan 8.290 nan 0.000 0.520 482 I N 1.791 122.339 120.570 -0.037 0.000 2.363 482 I HA 0.324 4.494 4.170 -0.000 0.000 0.292 482 I C 1.027 177.035 176.117 -0.182 0.000 1.075 482 I CA 0.250 61.415 61.300 -0.225 0.000 1.333 482 I CB -0.432 37.373 38.000 -0.325 0.000 1.415 482 I HN 0.819 nan 8.210 nan 0.000 0.502 483 Y N 2.972 123.310 120.300 0.064 0.000 2.738 483 Y HA -0.375 4.175 4.550 0.000 0.000 0.480 483 Y C 0.715 176.662 175.900 0.079 0.000 1.246 483 Y CA 0.943 59.072 58.100 0.049 0.000 2.651 483 Y CB -1.055 37.423 38.460 0.029 0.000 0.998 483 Y HN 0.483 nan 8.280 nan 0.000 0.546 484 K N -0.428 120.115 120.400 0.238 0.000 2.512 484 K HA 0.614 4.934 4.320 -0.000 0.000 0.263 484 K C 0.227 176.898 176.600 0.118 0.000 0.966 484 K CA -0.073 56.314 56.287 0.167 0.000 0.851 484 K CB 2.121 34.707 32.500 0.143 0.000 1.395 484 K HN 0.179 nan 8.250 nan 0.000 0.440 485 G N 0.853 109.709 108.800 0.094 0.000 3.774 485 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.287 485 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.287 485 G C 0.058 174.991 174.900 0.054 0.000 1.030 485 G CA -0.248 44.894 45.100 0.069 0.000 0.824 485 G HN 0.614 nan 8.290 nan 0.000 0.518 486 N N -0.453 118.282 118.700 0.057 0.000 2.241 486 N HA 0.054 4.794 4.740 -0.000 0.000 0.238 486 N C -0.103 175.432 175.510 0.042 0.000 1.244 486 N CA -0.462 52.614 53.050 0.044 0.000 0.880 486 N CB 0.170 38.681 38.487 0.041 0.000 1.179 486 N HN 0.298 nan 8.380 nan 0.000 0.513 487 E N 1.214 121.444 120.200 0.050 0.000 2.480 487 E HA 0.266 4.616 4.350 -0.000 0.000 0.258 487 E C -0.096 176.524 176.600 0.033 0.000 0.984 487 E CA -0.247 56.180 56.400 0.045 0.000 0.930 487 E CB 0.595 30.328 29.700 0.056 0.000 0.936 487 E HN 0.413 nan 8.360 nan 0.000 0.466 488 A N 4.762 127.598 122.820 0.027 0.000 2.483 488 A HA 0.007 4.327 4.320 -0.000 0.000 0.238 488 A C -0.313 177.282 177.584 0.019 0.000 1.070 488 A CA -0.399 51.651 52.037 0.021 0.000 0.770 488 A CB 0.280 19.290 19.000 0.018 0.000 1.008 488 A HN 0.694 nan 8.150 nan 0.000 0.497 489 D N 2.939 123.348 120.400 0.015 0.000 2.520 489 D HA 0.122 4.762 4.640 -0.000 0.000 0.243 489 D C -0.937 175.370 176.300 0.012 0.000 1.160 489 D CA -0.654 53.354 54.000 0.013 0.000 0.877 489 D CB 0.519 41.325 40.800 0.009 0.000 1.150 489 D HN 0.343 nan 8.370 nan 0.000 0.494 490 P HA -0.160 nan 4.420 nan 0.000 0.218 490 P C -0.081 177.224 177.300 0.008 0.000 1.148 490 P CA 1.172 64.279 63.100 0.011 0.000 0.822 490 P CB 0.597 32.304 31.700 0.012 0.000 0.784 491 Q N -1.347 118.457 119.800 0.007 0.000 2.345 491 Q HA 0.393 4.733 4.340 -0.000 0.000 0.275 491 Q C -2.852 173.151 176.000 0.005 0.000 1.063 491 Q CA -2.652 53.155 55.803 0.006 0.000 0.819 491 Q CB 1.544 30.285 28.738 0.004 0.000 1.356 491 Q HN -0.076 nan 8.270 nan 0.000 0.418 492 P HA -0.049 nan 4.420 nan 0.000 0.257 492 P C 0.732 178.034 177.300 0.003 0.000 1.162 492 P CA 1.798 64.900 63.100 0.004 0.000 0.762 492 P CB 0.113 31.815 31.700 0.003 0.000 0.753 493 G N 1.650 110.452 108.800 0.003 0.000 2.179 493 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 493 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 493 G C 0.061 174.963 174.900 0.002 0.000 0.977 493 G CA -0.039 45.062 45.100 0.002 0.000 0.641 493 G HN 0.533 nan 8.290 nan 0.000 0.533 494 V N 1.987 121.903 119.914 0.004 0.000 2.370 494 V HA 0.569 4.689 4.120 -0.000 0.000 0.283 494 V C 0.882 176.979 176.094 0.006 0.000 1.023 494 V CA -0.760 61.543 62.300 0.004 0.000 0.857 494 V CB 1.714 33.540 31.823 0.004 0.000 0.985 494 V HN 0.419 nan 8.190 nan 0.000 0.443 495 I N 3.767 124.341 120.570 0.005 0.000 2.634 495 I HA 0.207 4.377 4.170 -0.000 0.000 0.284 495 I C 1.011 177.134 176.117 0.011 0.000 1.124 495 I CA 0.501 61.806 61.300 0.008 0.000 1.417 495 I CB 1.284 39.288 38.000 0.006 0.000 1.396 495 I HN 0.764 nan 8.210 nan 0.000 0.571 496 S N 5.728 121.437 115.700 0.016 0.000 2.572 496 S HA -0.011 4.459 4.470 -0.000 0.000 0.279 496 S C 1.378 175.990 174.600 0.020 0.000 1.341 496 S CA -0.392 57.821 58.200 0.021 0.000 1.043 496 S CB 0.568 63.785 63.200 0.029 0.000 0.887 496 S HN 0.869 nan 8.310 nan 0.000 0.516 497 C N 2.632 121.944 119.300 0.020 0.000 2.443 497 C HA 0.081 4.541 4.460 -0.000 0.000 0.290 497 C C 2.155 177.156 174.990 0.019 0.000 1.476 497 C CA 0.611 59.639 59.018 0.016 0.000 1.772 497 C CB -2.417 25.333 27.740 0.016 0.000 1.714 497 C HN 0.945 nan 8.230 nan 0.000 0.562 498 T N -3.394 111.179 114.554 0.032 0.000 3.060 498 T HA 0.196 4.546 4.350 -0.000 0.000 0.249 498 T C 0.768 175.485 174.700 0.028 0.000 1.079 498 T CA -0.100 62.020 62.100 0.034 0.000 1.013 498 T CB -0.111 68.804 68.868 0.079 0.000 0.975 498 T HN 0.455 nan 8.240 nan 0.000 0.518 499 R N 1.087 121.603 120.500 0.028 0.000 2.490 499 R HA 0.649 4.989 4.340 -0.000 0.000 0.278 499 R C -0.472 175.842 176.300 0.024 0.000 1.069 499 R CA -0.327 55.790 56.100 0.029 0.000 1.080 499 R CB 0.845 31.160 30.300 0.025 0.000 1.030 499 R HN 0.372 nan 8.270 nan 0.000 0.491 500 L N 0.561 121.805 121.223 0.035 0.000 2.393 500 L HA 0.332 4.672 4.340 -0.000 0.000 0.260 500 L C 0.030 176.923 176.870 0.039 0.000 1.002 500 L CA -0.891 53.975 54.840 0.044 0.000 0.818 500 L CB 2.555 44.661 42.059 0.078 0.000 1.369 500 L HN 0.519 nan 8.230 nan 0.000 0.412 501 T N 0.670 115.237 114.554 0.022 0.000 2.916 501 T HA 0.053 4.403 4.350 -0.000 0.000 0.303 501 T C 0.500 175.194 174.700 -0.010 0.000 1.025 501 T CA -0.055 62.039 62.100 -0.009 0.000 1.142 501 T CB 0.354 69.196 68.868 -0.045 0.000 0.947 501 T HN 0.322 nan 8.240 nan 0.000 0.544 502 R N 2.463 122.953 120.500 -0.017 0.000 4.556 502 R HA 0.299 4.639 4.340 -0.000 0.000 0.197 502 R C 0.977 177.223 176.300 -0.090 0.000 1.791 502 R CA -0.231 55.864 56.100 -0.009 0.000 1.526 502 R CB -0.766 29.533 30.300 -0.001 0.000 1.410 502 R HN 0.786 nan 8.270 nan 0.000 0.826 503 G N 0.913 109.576 108.800 -0.227 0.000 2.636 503 G HA2 0.010 3.970 3.960 -0.000 0.000 0.246 503 G HA3 0.010 3.970 3.960 -0.000 0.000 0.246 503 G C -0.240 174.416 174.900 -0.406 0.000 1.216 503 G CA -0.639 44.214 45.100 -0.411 0.000 0.854 503 G HN 0.388 nan 8.290 nan 0.000 0.572 504 R N 1.250 121.569 120.500 -0.302 0.000 4.138 504 R HA 0.112 4.452 4.340 -0.000 0.000 0.206 504 R C 0.353 176.564 176.300 -0.148 0.000 1.667 504 R CA -0.414 55.587 56.100 -0.164 0.000 1.481 504 R CB -0.555 29.683 30.300 -0.104 0.000 1.388 504 R HN 0.635 nan 8.270 nan 0.000 0.776 505 Y N 0.943 121.229 120.300 -0.023 0.000 2.315 505 Y HA -0.269 4.281 4.550 -0.000 0.000 0.288 505 Y C 2.045 177.933 175.900 -0.021 0.000 1.154 505 Y CA 1.660 59.744 58.100 -0.027 0.000 1.229 505 Y CB -0.051 38.323 38.460 -0.143 0.000 0.980 505 Y HN 0.439 nan 8.280 nan 0.000 0.540 506 D N -0.426 120.035 120.400 0.102 0.000 2.144 506 D HA -0.226 4.414 4.640 -0.000 0.000 0.199 506 D C 1.862 178.178 176.300 0.027 0.000 0.984 506 D CA 1.430 55.467 54.000 0.062 0.000 0.834 506 D CB -0.621 40.202 40.800 0.039 0.000 0.955 506 D HN 0.372 nan 8.370 nan 0.000 0.465 507 M N -0.184 119.414 119.600 -0.003 0.000 2.229 507 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 507 M C 2.562 178.838 176.300 -0.041 0.000 1.063 507 M CA 0.907 56.185 55.300 -0.037 0.000 1.114 507 M CB -0.193 32.372 32.600 -0.058 0.000 1.387 507 M HN 0.005 nan 8.290 nan 0.000 0.420 508 M N -0.079 119.532 119.600 0.018 0.000 2.117 508 M HA -0.237 4.243 4.480 -0.000 0.000 0.262 508 M C 2.246 178.596 176.300 0.085 0.000 1.065 508 M CA 1.654 56.985 55.300 0.053 0.000 1.114 508 M CB -0.069 32.667 32.600 0.227 0.000 1.361 508 M HN 0.270 nan 8.290 nan 0.000 0.408 509 M N 1.072 120.765 119.600 0.155 0.000 2.067 509 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 509 M C 1.602 177.964 176.300 0.102 0.000 1.069 509 M CA 2.022 57.440 55.300 0.195 0.000 1.117 509 M CB -0.622 32.069 32.600 0.153 0.000 1.334 509 M HN 0.306 nan 8.290 nan 0.000 0.407 510 E N -0.238 119.971 120.200 0.015 0.000 2.265 510 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 510 E C 1.836 178.373 176.600 -0.105 0.000 0.996 510 E CA 0.909 57.290 56.400 -0.032 0.000 0.832 510 E CB -0.400 29.268 29.700 -0.053 0.000 0.756 510 E HN 0.676 nan 8.360 nan 0.000 0.491 511 A N 0.476 123.152 122.820 -0.239 0.000 2.067 511 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 511 A C 1.432 178.675 177.584 -0.568 0.000 1.158 511 A CA 0.840 52.599 52.037 -0.465 0.000 0.661 511 A CB -0.374 18.202 19.000 -0.707 0.000 0.801 511 A HN 0.206 nan 8.150 nan 0.000 0.452 512 F N -1.569 118.398 119.950 0.029 0.000 2.653 512 F HA 0.406 4.933 4.527 -0.000 0.000 0.304 512 F C 1.631 177.441 175.800 0.016 0.000 1.092 512 F CA 0.519 58.533 58.000 0.024 0.000 1.279 512 F CB 0.698 39.718 39.000 0.035 0.000 1.044 512 F HN 0.315 nan 8.300 nan 0.000 0.564 513 G N 0.412 109.274 108.800 0.103 0.000 2.163 513 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.213 513 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.213 513 G C 0.556 175.500 174.900 0.075 0.000 0.991 513 G CA -0.376 44.768 45.100 0.073 0.000 0.653 513 G HN 0.677 nan 8.290 nan 0.000 0.518 514 G N -0.396 108.463 108.800 0.099 0.000 2.547 514 G HA2 0.589 4.549 3.960 -0.000 0.000 0.291 514 G HA3 0.589 4.549 3.960 -0.000 0.000 0.291 514 G C -0.139 174.793 174.900 0.053 0.000 1.211 514 G CA -0.631 44.526 45.100 0.094 0.000 0.950 514 G HN 0.384 nan 8.290 nan 0.000 0.504 515 K N -0.169 120.267 120.400 0.061 0.000 2.213 515 K HA 0.532 4.852 4.320 -0.000 0.000 0.270 515 K C 0.080 176.688 176.600 0.013 0.000 1.002 515 K CA -0.378 55.909 56.287 -0.001 0.000 0.868 515 K CB 1.865 34.387 32.500 0.036 0.000 1.093 515 K HN 0.508 nan 8.250 nan 0.000 0.454 516 G N 2.084 110.815 108.800 -0.115 0.000 2.420 516 G HA2 0.581 4.541 3.960 -0.000 0.000 0.331 516 G HA3 0.581 4.541 3.960 -0.000 0.000 0.331 516 G C -1.480 173.304 174.900 -0.193 0.000 1.168 516 G CA -0.353 44.726 45.100 -0.036 0.000 0.936 516 G HN 0.403 nan 8.290 nan 0.000 0.479 517 Y N -0.508 119.783 120.300 -0.015 0.000 2.581 517 Y HA 0.598 5.148 4.550 -0.000 0.000 0.345 517 Y C -0.239 175.648 175.900 -0.023 0.000 1.036 517 Y CA -1.014 57.073 58.100 -0.021 0.000 1.042 517 Y CB 2.668 41.111 38.460 -0.030 0.000 1.289 517 Y HN 0.395 nan 8.280 nan 0.000 0.471 518 V N 1.752 121.753 119.914 0.146 0.000 2.531 518 V HA 0.837 4.957 4.120 -0.000 0.000 0.301 518 V C -0.750 175.380 176.094 0.060 0.000 1.034 518 V CA -0.888 61.454 62.300 0.071 0.000 0.865 518 V CB 1.492 33.335 31.823 0.033 0.000 0.995 518 V HN 0.855 nan 8.190 nan 0.000 0.424 519 A N 3.259 126.094 122.820 0.026 0.000 2.311 519 A HA 0.603 4.923 4.320 -0.000 0.000 0.306 519 A C 0.172 177.750 177.584 -0.011 0.000 1.189 519 A CA -0.558 51.481 52.037 0.003 0.000 0.791 519 A CB 0.444 19.429 19.000 -0.025 0.000 1.172 519 A HN 0.894 nan 8.150 nan 0.000 0.481 520 N N 0.345 119.040 118.700 -0.008 0.000 2.282 520 N HA 0.094 4.834 4.740 -0.000 0.000 0.185 520 N C 0.261 175.759 175.510 -0.020 0.000 1.099 520 N CA 0.914 53.956 53.050 -0.015 0.000 0.878 520 N CB 0.768 39.250 38.487 -0.009 0.000 0.993 520 N HN 0.773 nan 8.380 nan 0.000 0.481 521 T N -3.952 110.591 114.554 -0.019 0.000 2.864 521 T HA 0.333 4.683 4.350 -0.000 0.000 0.299 521 T C -2.481 172.205 174.700 -0.023 0.000 1.166 521 T CA -1.832 60.256 62.100 -0.020 0.000 1.007 521 T CB 2.104 70.965 68.868 -0.012 0.000 1.219 521 T HN -0.363 nan 8.240 nan 0.000 0.506 522 P HA 0.000 nan 4.420 nan 0.000 0.216 522 P C 1.657 178.947 177.300 -0.017 0.000 1.150 522 P CA 1.650 64.737 63.100 -0.021 0.000 0.837 522 P CB -0.233 31.459 31.700 -0.013 0.000 0.786 523 A N 0.058 122.872 122.820 -0.010 0.000 1.902 523 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 523 A C 2.115 179.693 177.584 -0.010 0.000 1.181 523 A CA 1.602 53.635 52.037 -0.006 0.000 0.623 523 A CB -1.120 17.880 19.000 -0.000 0.000 0.818 523 A HN 0.191 nan 8.150 nan 0.000 0.443 524 E N -0.708 119.486 120.200 -0.011 0.000 2.106 524 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 524 E C 1.948 178.527 176.600 -0.034 0.000 0.984 524 E CA 1.122 57.518 56.400 -0.008 0.000 0.806 524 E CB -0.276 29.426 29.700 0.003 0.000 0.750 524 E HN 0.505 nan 8.360 nan 0.000 0.458 525 L N 1.973 123.167 121.223 -0.048 0.000 2.046 525 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 525 L C 2.289 179.092 176.870 -0.112 0.000 1.077 525 L CA 1.895 56.684 54.840 -0.086 0.000 0.747 525 L CB -0.350 41.665 42.059 -0.074 0.000 0.896 525 L HN -0.090 nan 8.230 nan 0.000 0.432 526 K N -0.600 119.759 120.400 -0.068 0.000 2.026 526 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 526 K C 2.007 178.568 176.600 -0.065 0.000 1.048 526 K CA 1.536 57.791 56.287 -0.053 0.000 0.929 526 K CB -0.331 32.167 32.500 -0.004 0.000 0.713 526 K HN 0.433 nan 8.250 nan 0.000 0.439 527 A N 1.035 123.827 122.820 -0.045 0.000 1.877 527 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 527 A C 2.363 179.888 177.584 -0.098 0.000 1.186 527 A CA 1.998 54.015 52.037 -0.033 0.000 0.620 527 A CB -0.950 18.051 19.000 0.001 0.000 0.822 527 A HN 0.524 nan 8.150 nan 0.000 0.443 528 A N -0.586 122.133 122.820 -0.168 0.000 1.877 528 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 528 A C 2.156 179.414 177.584 -0.543 0.000 1.186 528 A CA 1.806 53.586 52.037 -0.429 0.000 0.620 528 A CB -0.666 18.089 19.000 -0.409 0.000 0.822 528 A HN 0.679 nan 8.150 nan 0.000 0.443 529 L N 0.128 121.107 121.223 -0.406 0.000 2.017 529 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 529 L C 2.221 178.807 176.870 -0.475 0.000 1.073 529 L CA 2.476 57.019 54.840 -0.495 0.000 0.745 529 L CB -0.761 40.968 42.059 -0.549 0.000 0.894 529 L HN 0.537 nan 8.230 nan 0.000 0.432 530 E N -0.543 119.498 120.200 -0.266 0.000 2.085 530 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 530 E C 2.003 178.600 176.600 -0.004 0.000 0.994 530 E CA 1.734 58.130 56.400 -0.007 0.000 0.801 530 E CB -0.132 29.629 29.700 0.101 0.000 0.743 530 E HN 0.653 nan 8.360 nan 0.000 0.453 531 E N 0.523 120.687 120.200 -0.061 0.000 2.107 531 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 531 E C 2.099 178.693 176.600 -0.010 0.000 0.982 531 E CA 0.723 57.123 56.400 -0.000 0.000 0.809 531 E CB -0.080 29.653 29.700 0.055 0.000 0.756 531 E HN 0.207 nan 8.360 nan 0.000 0.459 532 A N 1.246 123.973 122.820 -0.155 0.000 1.858 532 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 532 A C 2.547 180.110 177.584 -0.035 0.000 1.190 532 A CA 1.316 53.289 52.037 -0.107 0.000 0.617 532 A CB -0.791 18.033 19.000 -0.293 0.000 0.827 532 A HN 0.110 nan 8.150 nan 0.000 0.443 533 V N -0.078 119.795 119.914 -0.069 0.000 2.295 533 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 533 V C 3.064 179.212 176.094 0.089 0.000 1.049 533 V CA 1.946 64.266 62.300 0.033 0.000 1.024 533 V CB -1.332 30.562 31.823 0.118 0.000 0.648 533 V HN 0.616 nan 8.190 nan 0.000 0.447 534 A N 0.827 123.706 122.820 0.098 0.000 1.940 534 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 534 A C 2.548 180.176 177.584 0.074 0.000 1.176 534 A CA 2.325 54.417 52.037 0.093 0.000 0.631 534 A CB -0.788 18.266 19.000 0.090 0.000 0.814 534 A HN 0.710 nan 8.150 nan 0.000 0.446 535 S N -1.277 114.466 115.700 0.072 0.000 2.419 535 S HA 0.207 4.677 4.470 -0.000 0.000 0.233 535 S C 1.681 176.322 174.600 0.069 0.000 1.016 535 S CA 1.437 59.681 58.200 0.073 0.000 0.974 535 S CB -0.882 62.372 63.200 0.090 0.000 0.786 535 S HN 2.046 nan 8.310 nan 0.000 0.492 536 G N 0.953 109.795 108.800 0.070 0.000 2.153 536 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.252 536 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.252 536 G C -0.044 174.900 174.900 0.073 0.000 0.994 536 G CA 0.704 45.846 45.100 0.070 0.000 0.698 536 G HN 0.683 nan 8.290 nan 0.000 0.521 537 K N 0.359 120.805 120.400 0.077 0.000 2.280 537 K HA 0.586 4.906 4.320 -0.000 0.000 0.234 537 K C -2.605 174.048 176.600 0.087 0.000 1.028 537 K CA -2.196 54.139 56.287 0.081 0.000 0.882 537 K CB 1.991 34.538 32.500 0.079 0.000 1.194 537 K HN -0.030 nan 8.250 nan 0.000 0.458 538 P HA 0.125 nan 4.420 nan 0.000 0.276 538 P C -0.778 176.588 177.300 0.111 0.000 1.253 538 P CA -0.190 62.969 63.100 0.097 0.000 0.766 538 P CB 0.266 32.027 31.700 0.101 0.000 0.845 539 C N 3.776 123.142 119.300 0.110 0.000 2.994 539 C HA 0.714 5.174 4.460 -0.000 0.000 0.304 539 C C -0.208 174.847 174.990 0.109 0.000 1.273 539 C CA -0.651 58.455 59.018 0.147 0.000 1.537 539 C CB 1.776 29.625 27.740 0.181 0.000 2.001 539 C HN 0.579 nan 8.230 nan 0.000 0.471 540 L N 1.936 123.243 121.223 0.140 0.000 2.438 540 L HA 0.728 5.068 4.340 -0.000 0.000 0.270 540 L C -1.510 175.419 176.870 0.098 0.000 0.972 540 L CA -0.390 54.488 54.840 0.064 0.000 0.831 540 L CB 1.056 43.140 42.059 0.042 0.000 1.273 540 L HN 0.703 nan 8.230 nan 0.000 0.405 541 I N 4.115 124.683 120.570 -0.005 0.000 2.362 541 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 541 I C -0.380 175.718 176.117 -0.032 0.000 0.994 541 I CA -0.520 60.776 61.300 -0.007 0.000 1.158 541 I CB 1.593 39.519 38.000 -0.123 0.000 1.315 541 I HN 0.533 nan 8.210 nan 0.000 0.451 542 N N 5.940 124.650 118.700 0.018 0.000 2.602 542 N HA 0.328 5.068 4.740 -0.000 0.000 0.238 542 N C -0.438 175.071 175.510 -0.002 0.000 1.084 542 N CA -0.214 52.846 53.050 0.017 0.000 0.952 542 N CB 0.893 39.418 38.487 0.064 0.000 1.244 542 N HN 0.678 nan 8.380 nan 0.000 0.512 543 A N 4.155 126.953 122.820 -0.036 0.000 2.347 543 A HA 0.348 4.668 4.320 -0.000 0.000 0.287 543 A C 0.273 177.830 177.584 -0.046 0.000 1.199 543 A CA -0.450 51.558 52.037 -0.049 0.000 0.851 543 A CB -0.010 18.945 19.000 -0.074 0.000 1.118 543 A HN 0.538 nan 8.150 nan 0.000 0.525 544 M N 4.413 123.990 119.600 -0.039 0.000 2.193 544 M HA 0.271 4.751 4.480 -0.000 0.000 0.342 544 M C -0.385 175.873 176.300 -0.071 0.000 1.413 544 M CA -0.182 55.096 55.300 -0.038 0.000 1.191 544 M CB -0.511 32.075 32.600 -0.023 0.000 1.633 544 M HN 0.371 nan 8.290 nan 0.000 0.458 545 I N 1.898 122.412 120.570 -0.094 0.000 2.437 545 I HA 0.201 4.371 4.170 -0.000 0.000 0.298 545 I C 0.536 176.592 176.117 -0.102 0.000 0.984 545 I CA -0.753 60.450 61.300 -0.162 0.000 1.214 545 I CB 1.238 39.057 38.000 -0.301 0.000 1.365 545 I HN 0.499 nan 8.210 nan 0.000 0.469 546 D N 7.711 128.052 120.400 -0.099 0.000 2.520 546 D HA 0.005 4.645 4.640 -0.000 0.000 0.243 546 D C -1.718 174.578 176.300 -0.006 0.000 1.160 546 D CA -1.207 52.770 54.000 -0.039 0.000 0.877 546 D CB 1.261 42.045 40.800 -0.026 0.000 1.150 546 D HN 0.207 nan 8.370 nan 0.000 0.494 547 P HA -0.073 nan 4.420 nan 0.000 0.226 547 P C 0.224 177.564 177.300 0.066 0.000 1.146 547 P CA 0.897 64.023 63.100 0.043 0.000 0.773 547 P CB 0.343 32.063 31.700 0.034 0.000 0.772 548 D N -2.128 118.307 120.400 0.059 0.000 2.479 548 D HA 0.213 4.853 4.640 -0.000 0.000 0.218 548 D C 1.602 177.956 176.300 0.090 0.000 1.177 548 D CA -0.109 53.933 54.000 0.070 0.000 0.830 548 D CB -0.162 40.666 40.800 0.047 0.000 1.014 548 D HN -0.126 nan 8.370 nan 0.000 0.503 549 A N -0.248 122.642 122.820 0.116 0.000 1.970 549 A HA 0.355 4.675 4.320 -0.000 0.000 0.216 549 A C 1.582 179.333 177.584 0.278 0.000 1.170 549 A CA 0.829 52.967 52.037 0.169 0.000 0.645 549 A CB -0.531 18.539 19.000 0.117 0.000 0.816 549 A HN 0.284 nan 8.150 nan 0.000 0.447 550 G N -0.887 108.121 108.800 0.347 0.000 2.616 550 G HA2 0.472 4.432 3.960 -0.000 0.000 0.268 550 G HA3 0.472 4.432 3.960 -0.000 0.000 0.268 550 G C -0.024 174.934 174.900 0.097 0.000 1.213 550 G CA 0.360 45.592 45.100 0.221 0.000 0.926 550 G HN 1.051 nan 8.290 nan 0.000 0.523 551 V N -2.357 117.569 119.914 0.021 0.000 3.046 551 V HA 0.805 4.925 4.120 -0.000 0.000 0.316 551 V C -0.168 175.869 176.094 -0.095 0.000 1.104 551 V CA -1.040 61.248 62.300 -0.021 0.000 1.006 551 V CB 1.750 33.546 31.823 -0.044 0.000 1.058 551 V HN 0.761 nan 8.190 nan 0.000 0.440 552 E N 0.000 120.091 120.200 -0.182 0.000 2.725 552 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 552 E CA 0.000 56.135 56.400 -0.441 0.000 0.976 552 E CB 0.000 29.526 29.700 -0.291 0.000 0.812 552 E HN 0.000 nan 8.360 nan 0.000 0.440