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 3h1c_1_I DATA FIRST_RESID 2 DATA SEQUENCE LNPIVRKFQY GQHTVTLETG MMARQATAAV MVSMDDTAVF VTVVGQKKAK DATA SEQUENCE PGQDFFPLTV NYQERTYAAG RIPGSFFRRE GRPSEGETLI ARLIDRPIRP DATA SEQUENCE LFPEGFVNEV QVIATVVSVN PQVNPDIVAM IGASAALSLS GIPFNGPIGA DATA SEQUENCE ARVGYINDQY VLNPTQDELK ESKLDLVVAG TEAAVLMVES EAQLLSEDQM DATA SEQUENCE LGAVVFGHEQ QQVVIQNINE LVKEAGKPRW DWQPEPVNEA LNARVAALAE DATA SEQUENCE ARLSDAYRIT DKQERYAQVD VIKSETIATL LAEDETLDEN ELGEILHAIE DATA SEQUENCE KNVVRSRVLA GEPRIDGREK DMIRGLDVRT GVLPRTHGSA LFTRGETQAL DATA SEQUENCE VTATLGTARD AQVLDELMGE RTDTFLFHYN FPPYSVGETG MVGSPKRREI DATA SEQUENCE GHGRLAKRGV LAVMPDMDKF PYTVRVVSEI TESNGSSSMA SVCGASLALM DATA SEQUENCE DAGVPIKAAV AGIAMGLVKE GDNYVVLSDI LGDEDHLGDM DFKVAGSRDG DATA SEQUENCE ISALQMDIKI EGITKEIMQV ALNQAKGARL HILGVMEQAI NAP 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.879 176.870 0.015 0.000 1.165 2 L CA 0.000 54.848 54.840 0.014 0.000 0.813 2 L CB 0.000 42.066 42.059 0.012 0.000 0.961 3 N N 5.408 124.119 118.700 0.018 0.000 2.296 3 N HA 0.713 5.453 4.740 -0.000 0.000 0.294 3 N C -2.843 172.682 175.510 0.024 0.000 1.033 3 N CA -1.059 52.002 53.050 0.019 0.000 0.839 3 N CB 2.459 40.957 38.487 0.018 0.000 1.395 3 N HN 0.391 nan 8.380 nan 0.000 0.479 4 P HA 0.467 nan 4.420 nan 0.000 0.286 4 P C -0.579 176.740 177.300 0.031 0.000 1.261 4 P CA -0.397 62.722 63.100 0.031 0.000 0.821 4 P CB 1.298 33.016 31.700 0.030 0.000 1.013 5 I N 2.075 122.667 120.570 0.035 0.000 2.371 5 I HA 0.262 4.432 4.170 -0.000 0.000 0.282 5 I C -0.332 175.808 176.117 0.039 0.000 1.031 5 I CA -0.743 60.576 61.300 0.033 0.000 1.180 5 I CB 1.509 39.527 38.000 0.029 0.000 1.336 5 I HN -0.032 nan 8.210 nan 0.000 0.467 6 V N 6.559 126.497 119.914 0.039 0.000 2.495 6 V HA 0.546 4.666 4.120 -0.000 0.000 0.298 6 V C 0.027 176.154 176.094 0.055 0.000 1.031 6 V CA -0.680 61.648 62.300 0.047 0.000 0.871 6 V CB 2.053 33.900 31.823 0.042 0.000 0.988 6 V HN 0.616 nan 8.190 nan 0.000 0.432 7 R N 3.144 123.691 120.500 0.077 0.000 2.561 7 R HA 0.596 4.935 4.340 -0.000 0.000 0.297 7 R C -1.062 175.331 176.300 0.154 0.000 0.969 7 R CA -0.802 55.363 56.100 0.109 0.000 0.879 7 R CB 2.411 32.778 30.300 0.112 0.000 1.178 7 R HN 0.641 nan 8.270 nan 0.000 0.445 8 K N 3.826 124.314 120.400 0.147 0.000 2.345 8 K HA 0.422 4.742 4.320 -0.000 0.000 0.255 8 K C -1.170 175.553 176.600 0.206 0.000 0.934 8 K CA -0.605 55.749 56.287 0.112 0.000 0.801 8 K CB 1.568 34.095 32.500 0.045 0.000 1.137 8 K HN 0.373 nan 8.250 nan 0.000 0.424 9 F N -0.637 119.331 119.950 0.030 0.000 2.601 9 F HA 0.394 4.921 4.527 -0.000 0.000 0.309 9 F C -0.689 175.153 175.800 0.071 0.000 1.089 9 F CA -1.308 56.714 58.000 0.036 0.000 0.940 9 F CB 1.396 40.406 39.000 0.016 0.000 1.273 9 F HN 0.251 nan 8.300 nan 0.000 0.450 10 Q N 2.516 122.414 119.800 0.162 0.000 2.293 10 Q HA 0.246 4.586 4.340 -0.000 0.000 0.263 10 Q C -1.918 174.224 176.000 0.237 0.000 1.002 10 Q CA 0.082 55.945 55.803 0.100 0.000 0.910 10 Q CB 0.467 29.255 28.738 0.084 0.000 1.185 10 Q HN 0.669 nan 8.270 nan 0.000 0.401 11 Y N 5.345 125.639 120.300 -0.010 0.000 2.526 11 Y HA 0.519 5.069 4.550 -0.000 0.000 0.328 11 Y C 0.710 176.633 175.900 0.040 0.000 0.995 11 Y CA 0.149 58.288 58.100 0.064 0.000 1.304 11 Y CB 0.518 39.017 38.460 0.065 0.000 1.096 11 Y HN 0.780 nan 8.280 nan 0.000 0.499 12 G N 4.179 112.867 108.800 -0.186 0.000 3.879 12 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.318 12 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.318 12 G C 0.776 175.557 174.900 -0.199 0.000 1.344 12 G CA 0.876 45.821 45.100 -0.259 0.000 1.024 12 G HN 0.494 nan 8.290 nan 0.000 0.681 13 Q N 0.985 120.597 119.800 -0.314 0.000 2.185 13 Q HA 0.200 4.539 4.340 -0.000 0.000 0.234 13 Q C 0.381 176.057 176.000 -0.539 0.000 0.819 13 Q CA 0.393 55.936 55.803 -0.434 0.000 0.961 13 Q CB 0.897 29.303 28.738 -0.552 0.000 1.140 13 Q HN 0.824 nan 8.270 nan 0.000 0.492 14 H N 0.334 119.360 119.070 -0.073 0.000 2.710 14 H HA 0.389 4.945 4.556 -0.000 0.000 0.361 14 H C -0.082 175.207 175.328 -0.065 0.000 1.175 14 H CA -0.396 55.620 56.048 -0.053 0.000 1.206 14 H CB 1.636 31.373 29.762 -0.041 0.000 1.750 14 H HN -0.110 nan 8.280 nan 0.000 0.553 15 T N -0.670 113.911 114.554 0.045 0.000 2.770 15 T HA 0.404 4.754 4.350 -0.000 0.000 0.297 15 T C 0.082 174.682 174.700 -0.165 0.000 0.997 15 T CA -0.807 61.242 62.100 -0.085 0.000 0.949 15 T CB 0.066 68.901 68.868 -0.055 0.000 0.941 15 T HN 0.201 nan 8.240 nan 0.000 0.457 16 V N 4.500 124.159 119.914 -0.425 0.000 2.432 16 V HA 0.393 4.513 4.120 -0.000 0.000 0.271 16 V C 0.580 176.449 176.094 -0.376 0.000 1.046 16 V CA -0.506 61.527 62.300 -0.445 0.000 0.945 16 V CB 0.956 32.405 31.823 -0.624 0.000 0.992 16 V HN 1.053 nan 8.190 nan 0.000 0.471 17 T N 7.012 121.489 114.554 -0.129 0.000 2.797 17 T HA 0.682 5.032 4.350 -0.000 0.000 0.279 17 T C -0.399 174.323 174.700 0.037 0.000 0.991 17 T CA -0.358 61.727 62.100 -0.026 0.000 0.979 17 T CB 0.912 69.775 68.868 -0.007 0.000 0.943 17 T HN 0.407 nan 8.240 nan 0.000 0.444 18 L N 2.958 124.232 121.223 0.084 0.000 2.343 18 L HA 0.615 4.955 4.340 -0.000 0.000 0.278 18 L C 0.036 176.950 176.870 0.073 0.000 0.996 18 L CA -0.719 54.174 54.840 0.089 0.000 0.831 18 L CB 1.638 43.768 42.059 0.118 0.000 1.232 18 L HN 0.602 nan 8.230 nan 0.000 0.413 19 E N 2.233 122.476 120.200 0.072 0.000 2.210 19 E HA 0.626 4.976 4.350 -0.000 0.000 0.266 19 E C -1.363 175.285 176.600 0.080 0.000 0.883 19 E CA -0.311 56.132 56.400 0.072 0.000 0.761 19 E CB 2.470 32.214 29.700 0.074 0.000 1.156 19 E HN 0.541 nan 8.360 nan 0.000 0.412 20 T N 1.618 116.211 114.554 0.065 0.000 2.868 20 T HA 0.607 4.957 4.350 -0.000 0.000 0.306 20 T C 0.328 175.062 174.700 0.057 0.000 1.224 20 T CA 0.533 62.671 62.100 0.063 0.000 1.012 20 T CB 1.349 70.238 68.868 0.036 0.000 1.221 20 T HN 0.768 nan 8.240 nan 0.000 0.499 21 G N 1.862 110.698 108.800 0.061 0.000 2.213 21 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.226 21 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.226 21 G C 0.702 175.635 174.900 0.054 0.000 0.992 21 G CA 0.811 45.941 45.100 0.051 0.000 0.632 21 G HN 0.785 nan 8.290 nan 0.000 0.511 22 M N -0.161 119.478 119.600 0.066 0.000 2.962 22 M HA 0.571 5.051 4.480 -0.000 0.000 0.242 22 M C 1.104 177.446 176.300 0.069 0.000 1.396 22 M CA 0.321 55.654 55.300 0.056 0.000 1.287 22 M CB 0.355 32.981 32.600 0.044 0.000 1.168 22 M HN 0.163 nan 8.290 nan 0.000 0.557 23 M N 1.815 121.478 119.600 0.105 0.000 2.217 23 M HA 0.269 4.749 4.480 -0.000 0.000 0.354 23 M C 0.448 176.884 176.300 0.226 0.000 1.225 23 M CA 0.135 55.514 55.300 0.130 0.000 1.137 23 M CB 0.775 33.431 32.600 0.094 0.000 1.576 23 M HN 0.525 nan 8.290 nan 0.000 0.461 24 A N 2.866 125.799 122.820 0.188 0.000 2.251 24 A HA -0.215 4.105 4.320 -0.000 0.000 0.283 24 A C 0.948 178.603 177.584 0.118 0.000 1.415 24 A CA 0.815 52.959 52.037 0.177 0.000 0.742 24 A CB -1.182 17.982 19.000 0.274 0.000 1.151 24 A HN 1.014 nan 8.150 nan 0.000 0.354 25 R N -0.345 120.206 120.500 0.085 0.000 2.193 25 R HA -0.083 4.257 4.340 -0.000 0.000 0.213 25 R C 2.144 178.478 176.300 0.057 0.000 1.055 25 R CA 1.323 57.462 56.100 0.064 0.000 0.995 25 R CB -0.010 30.320 30.300 0.051 0.000 0.893 25 R HN 0.876 nan 8.270 nan 0.000 0.459 26 Q N 0.679 120.514 119.800 0.058 0.000 2.311 26 Q HA 0.060 4.400 4.340 -0.000 0.000 0.203 26 Q C 0.167 176.201 176.000 0.056 0.000 0.954 26 Q CA 0.405 56.238 55.803 0.051 0.000 0.885 26 Q CB 0.295 29.060 28.738 0.046 0.000 0.963 26 Q HN 0.258 nan 8.270 nan 0.000 0.471 27 A N -0.336 122.521 122.820 0.062 0.000 2.296 27 A HA 0.176 4.496 4.320 -0.000 0.000 0.264 27 A C 1.069 178.691 177.584 0.063 0.000 1.097 27 A CA 0.090 52.161 52.037 0.058 0.000 0.811 27 A CB 0.393 19.421 19.000 0.046 0.000 1.072 27 A HN 0.348 nan 8.150 nan 0.000 0.495 28 T N 0.380 114.979 114.554 0.075 0.000 2.746 28 T HA 0.264 4.614 4.350 -0.000 0.000 0.267 28 T C 0.728 175.463 174.700 0.060 0.000 1.039 28 T CA 1.735 63.897 62.100 0.103 0.000 1.142 28 T CB -0.258 68.699 68.868 0.148 0.000 0.866 28 T HN 1.464 nan 8.240 nan 0.000 0.444 29 A N -0.153 122.675 122.820 0.013 0.000 2.566 29 A HA 0.766 5.086 4.320 -0.000 0.000 0.297 29 A C -1.562 175.980 177.584 -0.069 0.000 1.059 29 A CA -0.466 51.558 52.037 -0.021 0.000 0.691 29 A CB 1.246 20.219 19.000 -0.046 0.000 1.282 29 A HN 0.497 nan 8.150 nan 0.000 0.401 30 A N 1.257 124.037 122.820 -0.067 0.000 2.402 30 A HA 0.703 5.023 4.320 -0.000 0.000 0.291 30 A C -1.163 176.357 177.584 -0.106 0.000 1.051 30 A CA -0.430 51.511 52.037 -0.159 0.000 0.716 30 A CB 1.220 20.193 19.000 -0.044 0.000 1.223 30 A HN 1.669 nan 8.150 nan 0.000 0.425 31 V N 2.286 122.075 119.914 -0.209 0.000 2.588 31 V HA 0.560 4.680 4.120 -0.000 0.000 0.304 31 V C -0.276 175.812 176.094 -0.009 0.000 1.042 31 V CA -0.502 61.761 62.300 -0.063 0.000 0.877 31 V CB 1.707 33.495 31.823 -0.060 0.000 0.996 31 V HN 0.968 nan 8.190 nan 0.000 0.425 32 M N 6.168 125.869 119.600 0.168 0.000 2.206 32 M HA 0.482 4.962 4.480 -0.000 0.000 0.353 32 M C -1.015 175.358 176.300 0.122 0.000 1.242 32 M CA 0.003 55.450 55.300 0.246 0.000 1.179 32 M CB 0.608 33.371 32.600 0.272 0.000 1.374 32 M HN 0.436 nan 8.290 nan 0.000 0.427 33 V N 4.675 124.643 119.914 0.090 0.000 2.407 33 V HA 0.737 4.857 4.120 -0.000 0.000 0.278 33 V C -0.285 175.840 176.094 0.051 0.000 1.037 33 V CA -0.395 61.940 62.300 0.058 0.000 0.900 33 V CB 1.195 33.041 31.823 0.038 0.000 0.983 33 V HN 0.918 nan 8.190 nan 0.000 0.459 34 S N 4.893 120.610 115.700 0.029 0.000 2.548 34 S HA 0.677 5.146 4.470 -0.000 0.000 0.276 34 S C -0.072 174.517 174.600 -0.019 0.000 1.129 34 S CA -0.775 57.433 58.200 0.013 0.000 0.931 34 S CB 2.100 65.312 63.200 0.020 0.000 1.068 34 S HN 0.497 nan 8.310 nan 0.000 0.480 35 M N 1.122 120.705 119.600 -0.029 0.000 2.473 35 M HA 0.339 4.819 4.480 -0.000 0.000 0.230 35 M C -0.589 175.685 176.300 -0.045 0.000 1.226 35 M CA 0.822 56.091 55.300 -0.051 0.000 1.235 35 M CB 0.119 32.667 32.600 -0.087 0.000 1.162 35 M HN 0.682 nan 8.290 nan 0.000 0.486 36 D N 0.551 120.905 120.400 -0.076 0.000 2.328 36 D HA 0.208 4.848 4.640 -0.000 0.000 0.243 36 D C -1.199 175.081 176.300 -0.033 0.000 1.324 36 D CA 0.146 54.128 54.000 -0.030 0.000 0.966 36 D CB 0.843 41.659 40.800 0.027 0.000 1.324 36 D HN 0.223 nan 8.370 nan 0.000 0.549 37 D N -0.221 120.173 120.400 -0.011 0.000 2.792 37 D HA -0.136 4.504 4.640 -0.000 0.000 0.192 37 D C -0.306 175.987 176.300 -0.011 0.000 1.007 37 D CA 1.374 55.370 54.000 -0.006 0.000 1.020 37 D CB -0.612 40.187 40.800 -0.002 0.000 1.089 37 D HN 0.394 nan 8.370 nan 0.000 0.438 38 T N -0.248 114.293 114.554 -0.022 0.000 2.885 38 T HA 0.847 5.197 4.350 -0.000 0.000 0.285 38 T C -0.352 174.348 174.700 -0.000 0.000 1.019 38 T CA -0.005 62.086 62.100 -0.015 0.000 1.010 38 T CB 2.266 71.117 68.868 -0.028 0.000 1.022 38 T HN 0.285 nan 8.240 nan 0.000 0.466 39 A N 1.858 124.687 122.820 0.014 0.000 2.488 39 A HA 0.739 5.059 4.320 -0.000 0.000 0.298 39 A C -1.295 176.322 177.584 0.055 0.000 1.044 39 A CA -0.684 51.376 52.037 0.037 0.000 0.693 39 A CB 1.431 20.457 19.000 0.044 0.000 1.272 39 A HN 0.665 nan 8.150 nan 0.000 0.402 40 V N 2.104 122.067 119.914 0.082 0.000 2.483 40 V HA 0.462 4.582 4.120 -0.000 0.000 0.297 40 V C -0.994 175.192 176.094 0.153 0.000 1.027 40 V CA -0.362 62.000 62.300 0.104 0.000 0.855 40 V CB 1.457 33.342 31.823 0.104 0.000 0.995 40 V HN 0.829 nan 8.190 nan 0.000 0.424 41 F N 6.045 125.999 119.950 0.008 0.000 2.390 41 F HA 0.667 5.194 4.527 -0.000 0.000 0.361 41 F C -0.209 175.599 175.800 0.013 0.000 1.124 41 F CA -0.431 57.576 58.000 0.012 0.000 1.149 41 F CB 1.045 40.053 39.000 0.014 0.000 1.160 41 F HN 0.278 nan 8.300 nan 0.000 0.501 42 V N 4.928 124.567 119.914 -0.457 0.000 2.459 42 V HA 0.552 4.672 4.120 -0.000 0.000 0.295 42 V C -0.229 175.552 176.094 -0.522 0.000 1.029 42 V CA -0.621 61.465 62.300 -0.358 0.000 0.874 42 V CB 1.785 33.508 31.823 -0.168 0.000 0.985 42 V HN 0.822 nan 8.190 nan 0.000 0.438 43 T N 1.329 115.666 114.554 -0.363 0.000 2.876 43 T HA 0.825 5.175 4.350 -0.000 0.000 0.289 43 T C -0.662 173.954 174.700 -0.138 0.000 1.014 43 T CA -0.791 61.146 62.100 -0.273 0.000 0.986 43 T CB 1.774 70.515 68.868 -0.210 0.000 1.021 43 T HN 0.833 nan 8.240 nan 0.000 0.458 44 V N -0.349 119.503 119.914 -0.104 0.000 2.656 44 V HA 0.920 5.040 4.120 -0.000 0.000 0.307 44 V C -0.857 175.229 176.094 -0.013 0.000 1.051 44 V CA -0.980 61.283 62.300 -0.061 0.000 0.893 44 V CB 1.624 33.395 31.823 -0.085 0.000 0.999 44 V HN 0.856 nan 8.190 nan 0.000 0.426 45 V N 3.530 123.452 119.914 0.013 0.000 2.482 45 V HA 0.809 4.929 4.120 -0.000 0.000 0.295 45 V C 0.685 176.833 176.094 0.091 0.000 1.026 45 V CA 0.131 62.466 62.300 0.059 0.000 0.856 45 V CB 1.634 33.486 31.823 0.049 0.000 1.001 45 V HN 1.273 nan 8.190 nan 0.000 0.424 46 G N 2.678 111.583 108.800 0.176 0.000 2.372 46 G HA2 0.536 4.496 3.960 -0.000 0.000 0.323 46 G HA3 0.536 4.496 3.960 -0.000 0.000 0.323 46 G C -0.663 174.479 174.900 0.404 0.000 1.152 46 G CA -0.488 44.772 45.100 0.266 0.000 0.906 46 G HN 0.585 nan 8.290 nan 0.000 0.460 47 Q N 1.242 121.222 119.800 0.299 0.000 2.297 47 Q HA 0.195 4.535 4.340 -0.000 0.000 0.267 47 Q C 1.433 177.605 176.000 0.288 0.000 1.006 47 Q CA -0.150 55.782 55.803 0.215 0.000 0.896 47 Q CB 0.923 29.717 28.738 0.094 0.000 1.186 47 Q HN 0.445 nan 8.270 nan 0.000 0.392 48 K N 2.701 123.171 120.400 0.117 0.000 2.057 48 K HA -0.027 4.293 4.320 -0.000 0.000 0.206 48 K C -0.199 176.397 176.600 -0.006 0.000 1.050 48 K CA 1.256 57.500 56.287 -0.072 0.000 0.935 48 K CB 0.194 32.601 32.500 -0.155 0.000 0.715 48 K HN 0.471 nan 8.250 nan 0.000 0.439 49 K N 0.751 121.160 120.400 0.015 0.000 2.235 49 K HA 0.382 4.702 4.320 -0.000 0.000 0.266 49 K C -0.742 175.865 176.600 0.012 0.000 0.980 49 K CA -0.401 55.893 56.287 0.012 0.000 0.849 49 K CB 2.001 34.497 32.500 -0.007 0.000 1.098 49 K HN -0.013 nan 8.250 nan 0.000 0.445 50 A N 1.762 124.586 122.820 0.008 0.000 2.351 50 A HA 0.141 4.461 4.320 -0.000 0.000 0.257 50 A C -0.044 177.519 177.584 -0.035 0.000 1.087 50 A CA -0.428 51.592 52.037 -0.029 0.000 0.798 50 A CB 0.629 19.609 19.000 -0.034 0.000 1.033 50 A HN 0.440 nan 8.150 nan 0.000 0.488 51 K N 2.436 122.801 120.400 -0.059 0.000 2.412 51 K HA 0.207 4.527 4.320 -0.000 0.000 0.281 51 K C -1.574 175.001 176.600 -0.042 0.000 1.027 51 K CA -0.670 55.585 56.287 -0.054 0.000 0.989 51 K CB 0.641 33.094 32.500 -0.077 0.000 0.935 51 K HN 0.692 nan 8.250 nan 0.000 0.475 52 P HA -0.043 nan 4.420 nan 0.000 0.220 52 P C 0.673 177.964 177.300 -0.015 0.000 1.148 52 P CA 1.106 64.196 63.100 -0.018 0.000 0.803 52 P CB 0.111 31.804 31.700 -0.012 0.000 0.782 53 G N 0.091 108.880 108.800 -0.017 0.000 4.699 53 G HA2 0.300 4.260 3.960 -0.000 0.000 0.308 53 G HA3 0.300 4.260 3.960 -0.000 0.000 0.308 53 G C -0.492 174.396 174.900 -0.021 0.000 1.399 53 G CA 0.034 45.130 45.100 -0.007 0.000 1.221 53 G HN 0.134 nan 8.290 nan 0.000 0.596 54 Q N 0.484 120.259 119.800 -0.043 0.000 2.356 54 Q HA 0.455 4.795 4.340 -0.000 0.000 0.270 54 Q C 0.011 175.981 176.000 -0.050 0.000 1.058 54 Q CA -0.667 55.076 55.803 -0.100 0.000 0.802 54 Q CB 2.365 31.000 28.738 -0.173 0.000 1.303 54 Q HN 0.289 nan 8.270 nan 0.000 0.444 55 D N 1.806 122.192 120.400 -0.024 0.000 2.434 55 D HA 0.067 4.707 4.640 -0.000 0.000 0.288 55 D C 0.110 176.488 176.300 0.131 0.000 1.083 55 D CA 0.151 54.197 54.000 0.075 0.000 0.903 55 D CB -0.155 40.724 40.800 0.133 0.000 1.476 55 D HN 0.370 nan 8.370 nan 0.000 0.502 56 F N 0.073 120.051 119.950 0.046 0.000 2.432 56 F HA 0.637 5.164 4.527 -0.000 0.000 0.329 56 F C -0.461 175.406 175.800 0.112 0.000 1.076 56 F CA -2.017 56.026 58.000 0.072 0.000 1.018 56 F CB 0.847 39.871 39.000 0.040 0.000 1.201 56 F HN -0.232 nan 8.300 nan 0.000 0.489 57 F N 4.850 124.850 119.950 0.084 0.000 2.444 57 F HA 0.500 5.027 4.527 -0.000 0.000 0.360 57 F C -2.476 173.327 175.800 0.006 0.000 1.106 57 F CA -3.539 54.441 58.000 -0.032 0.000 1.170 57 F CB 0.403 39.416 39.000 0.021 0.000 1.113 57 F HN 0.271 nan 8.300 nan 0.000 0.521 58 P HA 0.267 nan 4.420 nan 0.000 0.283 58 P C -1.081 175.747 177.300 -0.786 0.000 1.412 58 P CA -0.098 62.700 63.100 -0.502 0.000 0.912 58 P CB 1.025 32.496 31.700 -0.381 0.000 1.132 59 L N 2.988 123.807 121.223 -0.673 0.000 2.305 59 L HA 0.546 4.885 4.340 -0.000 0.000 0.284 59 L C -0.343 176.397 176.870 -0.216 0.000 1.013 59 L CA -0.257 54.266 54.840 -0.529 0.000 0.819 59 L CB 1.814 43.601 42.059 -0.454 0.000 1.227 59 L HN 0.253 nan 8.230 nan 0.000 0.417 60 T N 4.268 118.729 114.554 -0.155 0.000 2.847 60 T HA 0.522 4.872 4.350 -0.000 0.000 0.291 60 T C -0.978 173.699 174.700 -0.039 0.000 0.998 60 T CA -0.381 61.675 62.100 -0.074 0.000 0.967 60 T CB 1.041 69.874 68.868 -0.059 0.000 0.954 60 T HN 0.224 nan 8.240 nan 0.000 0.441 61 V N 6.429 126.336 119.914 -0.012 0.000 2.370 61 V HA 0.499 4.619 4.120 -0.000 0.000 0.283 61 V C -0.235 175.881 176.094 0.037 0.000 1.023 61 V CA -0.992 61.318 62.300 0.015 0.000 0.857 61 V CB 1.405 33.243 31.823 0.024 0.000 0.985 61 V HN 0.802 nan 8.190 nan 0.000 0.443 62 N N 3.959 122.685 118.700 0.045 0.000 2.621 62 N HA 0.248 4.988 4.740 -0.000 0.000 0.237 62 N C -1.056 174.510 175.510 0.093 0.000 0.997 62 N CA -0.315 52.767 53.050 0.055 0.000 0.918 62 N CB 1.034 39.535 38.487 0.023 0.000 1.122 62 N HN 0.716 nan 8.380 nan 0.000 0.510 63 Y N 3.021 123.316 120.300 -0.009 0.000 2.404 63 Y HA 0.190 4.740 4.550 -0.000 0.000 0.344 63 Y C -0.035 175.863 175.900 -0.003 0.000 0.970 63 Y CA -0.659 57.437 58.100 -0.008 0.000 1.180 63 Y CB 0.546 39.000 38.460 -0.011 0.000 1.138 63 Y HN 0.371 nan 8.280 nan 0.000 0.510 64 Q N 4.197 123.715 119.800 -0.470 0.000 2.306 64 Q HA 0.506 4.846 4.340 -0.000 0.000 0.265 64 Q C -1.359 174.309 176.000 -0.553 0.000 1.022 64 Q CA -1.053 54.527 55.803 -0.372 0.000 0.853 64 Q CB 2.551 31.185 28.738 -0.173 0.000 1.327 64 Q HN 0.675 nan 8.270 nan 0.000 0.449 65 E N 1.825 121.822 120.200 -0.339 0.000 2.267 65 E HA 0.266 4.616 4.350 -0.000 0.000 0.248 65 E C -0.855 175.629 176.600 -0.193 0.000 0.899 65 E CA -0.698 55.535 56.400 -0.277 0.000 0.764 65 E CB 1.153 30.756 29.700 -0.162 0.000 1.227 65 E HN 0.308 nan 8.360 nan 0.000 0.421 66 R N 0.851 121.195 120.500 -0.259 0.000 2.539 66 R HA 0.097 4.437 4.340 -0.000 0.000 0.275 66 R C 1.300 177.423 176.300 -0.295 0.000 1.077 66 R CA 0.058 55.978 56.100 -0.299 0.000 1.097 66 R CB 0.563 30.504 30.300 -0.598 0.000 1.018 66 R HN 0.561 nan 8.270 nan 0.000 0.483 67 T N -1.797 112.663 114.554 -0.156 0.000 3.067 67 T HA -0.095 4.255 4.350 -0.000 0.000 0.261 67 T C 1.636 176.308 174.700 -0.048 0.000 1.110 67 T CA 0.722 62.778 62.100 -0.074 0.000 1.113 67 T CB -0.297 68.578 68.868 0.010 0.000 0.917 67 T HN 0.725 nan 8.240 nan 0.000 0.499 68 Y N 1.062 121.357 120.300 -0.007 0.000 2.616 68 Y HA 0.604 5.154 4.550 -0.000 0.000 0.296 68 Y C 2.359 178.253 175.900 -0.009 0.000 1.154 68 Y CA -0.366 57.729 58.100 -0.008 0.000 1.325 68 Y CB -0.728 37.725 38.460 -0.012 0.000 1.007 68 Y HN 0.229 nan 8.280 nan 0.000 0.542 69 A N 1.192 123.828 122.820 -0.307 0.000 2.015 69 A HA 0.189 4.509 4.320 -0.000 0.000 0.219 69 A C 2.113 179.665 177.584 -0.054 0.000 1.163 69 A CA 1.266 53.190 52.037 -0.187 0.000 0.646 69 A CB -0.830 18.018 19.000 -0.254 0.000 0.806 69 A HN 0.644 nan 8.150 nan 0.000 0.448 70 A N -1.765 121.031 122.820 -0.039 0.000 2.503 70 A HA 0.483 4.803 4.320 -0.000 0.000 0.263 70 A C 1.304 178.897 177.584 0.016 0.000 1.258 70 A CA 0.758 52.790 52.037 -0.008 0.000 0.936 70 A CB -0.757 18.235 19.000 -0.012 0.000 1.070 70 A HN 1.827 nan 8.150 nan 0.000 0.522 71 G N 1.004 109.827 108.800 0.039 0.000 2.324 71 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.292 71 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.292 71 G C -0.086 174.839 174.900 0.042 0.000 1.079 71 G CA 0.461 45.592 45.100 0.050 0.000 1.026 71 G HN 1.426 nan 8.290 nan 0.000 0.506 72 R N -1.631 118.898 120.500 0.049 0.000 2.664 72 R HA 0.717 5.057 4.340 -0.000 0.000 0.266 72 R C -0.435 175.894 176.300 0.050 0.000 1.046 72 R CA -1.305 54.819 56.100 0.039 0.000 0.885 72 R CB 0.754 31.069 30.300 0.025 0.000 1.254 72 R HN 0.061 nan 8.270 nan 0.000 0.465 73 I N 1.557 122.152 120.570 0.042 0.000 3.322 73 I HA 0.305 4.475 4.170 -0.000 0.000 0.296 73 I C -1.839 174.303 176.117 0.043 0.000 1.101 73 I CA -1.983 59.345 61.300 0.047 0.000 1.166 73 I CB 0.393 38.413 38.000 0.033 0.000 1.475 73 I HN 0.595 nan 8.210 nan 0.000 0.665 74 P HA 0.245 nan 4.420 nan 0.000 0.304 74 P C -0.574 176.755 177.300 0.049 0.000 1.366 74 P CA -0.591 62.538 63.100 0.050 0.000 0.859 74 P CB 1.162 32.900 31.700 0.064 0.000 0.961 75 G N 2.475 111.302 108.800 0.044 0.000 2.690 75 G HA2 0.380 4.340 3.960 -0.000 0.000 0.294 75 G HA3 0.380 4.340 3.960 -0.000 0.000 0.294 75 G C 0.122 175.061 174.900 0.065 0.000 0.793 75 G CA 0.050 45.175 45.100 0.042 0.000 1.818 75 G HN 0.615 nan 8.290 nan 0.000 0.515 76 S N 0.932 116.678 115.700 0.076 0.000 2.656 76 S HA 0.480 4.950 4.470 -0.000 0.000 0.273 76 S C 0.336 175.008 174.600 0.121 0.000 1.168 76 S CA -0.785 57.494 58.200 0.132 0.000 0.817 76 S CB 0.914 64.220 63.200 0.177 0.000 1.146 76 S HN 0.168 nan 8.310 nan 0.000 0.475 77 F N 0.111 120.068 119.950 0.012 0.000 2.259 77 F HA 0.262 4.789 4.527 -0.000 0.000 0.298 77 F C 1.290 176.942 175.800 -0.247 0.000 1.088 77 F CA 1.153 59.065 58.000 -0.147 0.000 1.358 77 F CB -0.124 38.724 39.000 -0.253 0.000 1.040 77 F HN 0.593 nan 8.300 nan 0.000 0.505 78 F N -0.303 119.760 119.950 0.188 0.000 2.698 78 F HA 0.196 4.723 4.527 -0.000 0.000 0.295 78 F C 0.680 176.505 175.800 0.043 0.000 1.124 78 F CA -0.007 58.060 58.000 0.111 0.000 1.426 78 F CB 0.056 39.126 39.000 0.117 0.000 1.120 78 F HN -0.311 nan 8.300 nan 0.000 0.583 79 R N 1.226 121.836 120.500 0.182 0.000 3.422 79 R HA -0.207 4.133 4.340 -0.000 0.000 0.267 79 R C -0.257 176.115 176.300 0.120 0.000 1.074 79 R CA 0.369 56.533 56.100 0.107 0.000 0.718 79 R CB -2.194 28.132 30.300 0.045 0.000 1.157 79 R HN 0.405 nan 8.270 nan 0.000 0.440 80 R N -0.110 120.478 120.500 0.146 0.000 2.668 80 R HA 0.371 4.711 4.340 -0.000 0.000 0.272 80 R C -0.847 175.503 176.300 0.084 0.000 1.019 80 R CA 0.292 56.455 56.100 0.106 0.000 0.894 80 R CB 1.565 31.922 30.300 0.095 0.000 1.228 80 R HN 0.209 nan 8.270 nan 0.000 0.460 81 E N 0.653 120.890 120.200 0.061 0.000 2.324 81 E HA 0.367 4.717 4.350 -0.000 0.000 0.271 81 E C 0.173 176.784 176.600 0.017 0.000 1.028 81 E CA 0.294 56.716 56.400 0.037 0.000 0.890 81 E CB 1.225 30.937 29.700 0.021 0.000 1.004 81 E HN 0.788 nan 8.360 nan 0.000 0.431 82 G N 1.655 110.461 108.800 0.011 0.000 2.465 82 G HA2 0.187 4.147 3.960 -0.000 0.000 0.178 82 G HA3 0.187 4.147 3.960 -0.000 0.000 0.178 82 G C 0.510 175.407 174.900 -0.005 0.000 1.591 82 G CA -0.063 45.030 45.100 -0.011 0.000 0.689 82 G HN 0.575 nan 8.290 nan 0.000 0.708 83 R N 2.222 122.725 120.500 0.006 0.000 2.265 83 R HA 0.397 4.736 4.340 -0.000 0.000 0.314 83 R C -2.140 174.172 176.300 0.021 0.000 1.053 83 R CA -1.287 54.820 56.100 0.013 0.000 0.931 83 R CB 0.851 31.162 30.300 0.018 0.000 1.024 83 R HN 0.194 nan 8.270 nan 0.000 0.457 84 P HA 0.007 nan 4.420 nan 0.000 0.271 84 P C -0.577 176.750 177.300 0.045 0.000 1.216 84 P CA -0.174 62.947 63.100 0.035 0.000 0.771 84 P CB 1.170 32.896 31.700 0.044 0.000 0.864 85 S N 0.929 116.660 115.700 0.051 0.000 2.641 85 S HA 0.063 4.532 4.470 -0.000 0.000 0.261 85 S C 1.305 175.939 174.600 0.057 0.000 1.257 85 S CA -0.417 57.815 58.200 0.054 0.000 0.983 85 S CB 0.854 64.085 63.200 0.052 0.000 0.990 85 S HN 0.614 nan 8.310 nan 0.000 0.572 86 E N 0.685 120.918 120.200 0.055 0.000 2.077 86 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 86 E C 1.993 178.615 176.600 0.036 0.000 0.989 86 E CA 1.303 57.732 56.400 0.049 0.000 0.800 86 E CB -1.013 28.719 29.700 0.054 0.000 0.746 86 E HN 0.863 nan 8.360 nan 0.000 0.452 87 G N 0.617 109.441 108.800 0.041 0.000 2.403 87 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.216 87 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.216 87 G C 1.407 176.341 174.900 0.056 0.000 1.154 87 G CA 0.696 45.818 45.100 0.036 0.000 0.784 87 G HN 0.375 nan 8.290 nan 0.000 0.538 88 E N 0.145 120.404 120.200 0.100 0.000 2.153 88 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 88 E C 2.292 178.999 176.600 0.178 0.000 0.988 88 E CA 1.461 57.978 56.400 0.196 0.000 0.811 88 E CB -0.046 29.747 29.700 0.155 0.000 0.746 88 E HN 0.413 nan 8.360 nan 0.000 0.466 89 T N 0.785 115.389 114.554 0.083 0.000 2.985 89 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 89 T C 1.812 176.503 174.700 -0.016 0.000 1.076 89 T CA 0.487 62.612 62.100 0.043 0.000 1.135 89 T CB -0.020 68.863 68.868 0.025 0.000 0.890 89 T HN 0.139 nan 8.240 nan 0.000 0.480 90 L N 0.087 121.290 121.223 -0.034 0.000 2.141 90 L HA 0.036 4.376 4.340 -0.000 0.000 0.209 90 L C 2.151 178.943 176.870 -0.131 0.000 1.094 90 L CA 0.926 55.719 54.840 -0.078 0.000 0.763 90 L CB -0.500 41.522 42.059 -0.063 0.000 0.908 90 L HN 0.221 nan 8.230 nan 0.000 0.437 91 I N -0.197 120.251 120.570 -0.203 0.000 2.353 91 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 91 I C 2.703 178.587 176.117 -0.389 0.000 1.119 91 I CA 1.144 62.198 61.300 -0.410 0.000 1.417 91 I CB -0.564 36.922 38.000 -0.856 0.000 1.078 91 I HN 0.113 nan 8.210 nan 0.000 0.421 92 A N 0.674 123.351 122.820 -0.239 0.000 1.978 92 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 92 A C 2.427 179.970 177.584 -0.068 0.000 1.170 92 A CA 1.556 53.547 52.037 -0.077 0.000 0.636 92 A CB -0.534 18.492 19.000 0.044 0.000 0.810 92 A HN 0.342 nan 8.150 nan 0.000 0.448 93 R N -1.558 118.892 120.500 -0.085 0.000 2.153 93 R HA 0.075 4.415 4.340 -0.000 0.000 0.218 93 R C 1.778 178.034 176.300 -0.073 0.000 1.072 93 R CA 0.819 56.873 56.100 -0.076 0.000 0.990 93 R CB -0.295 29.945 30.300 -0.099 0.000 0.889 93 R HN 0.438 nan 8.270 nan 0.000 0.452 94 L N 0.378 121.540 121.223 -0.101 0.000 2.376 94 L HA -0.033 4.307 4.340 -0.000 0.000 0.219 94 L C 1.518 178.350 176.870 -0.064 0.000 1.133 94 L CA 1.339 56.127 54.840 -0.087 0.000 0.816 94 L CB 0.143 42.132 42.059 -0.117 0.000 0.933 94 L HN 0.055 nan 8.230 nan 0.000 0.449 95 I N -1.447 119.083 120.570 -0.067 0.000 2.927 95 I HA -0.071 4.099 4.170 -0.000 0.000 0.268 95 I C 2.010 178.140 176.117 0.023 0.000 1.153 95 I CA 0.664 61.949 61.300 -0.026 0.000 1.459 95 I CB -0.170 37.809 38.000 -0.035 0.000 1.149 95 I HN 0.138 nan 8.210 nan 0.000 0.443 96 D N 0.857 121.268 120.400 0.019 0.000 2.117 96 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 96 D C 2.330 178.678 176.300 0.080 0.000 0.982 96 D CA 1.422 55.455 54.000 0.056 0.000 0.828 96 D CB 0.149 40.965 40.800 0.026 0.000 0.967 96 D HN 0.107 nan 8.370 nan 0.000 0.464 97 R N 0.151 120.675 120.500 0.041 0.000 2.075 97 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 97 R C -0.511 175.827 176.300 0.063 0.000 1.126 97 R CA 1.730 57.855 56.100 0.042 0.000 0.963 97 R CB -1.009 29.294 30.300 0.005 0.000 0.858 97 R HN 0.369 nan 8.270 nan 0.000 0.435 98 P HA -0.114 nan 4.420 nan 0.000 0.220 98 P C 1.306 178.668 177.300 0.104 0.000 1.152 98 P CA 1.272 64.410 63.100 0.064 0.000 0.812 98 P CB -0.095 31.637 31.700 0.052 0.000 0.792 99 I N -3.115 117.563 120.570 0.181 0.000 2.876 99 I HA 0.101 4.271 4.170 -0.000 0.000 0.264 99 I C 2.686 179.052 176.117 0.414 0.000 1.204 99 I CA 0.464 61.965 61.300 0.334 0.000 1.485 99 I CB -0.552 37.677 38.000 0.381 0.000 1.103 99 I HN -0.267 nan 8.210 nan 0.000 0.446 100 R N 1.890 122.598 120.500 0.348 0.000 2.073 100 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 100 R C -0.425 176.058 176.300 0.305 0.000 1.134 100 R CA 1.963 58.310 56.100 0.412 0.000 0.952 100 R CB -1.147 29.316 30.300 0.272 0.000 0.850 100 R HN 0.347 nan 8.270 nan 0.000 0.433 101 P HA -0.046 nan 4.420 nan 0.000 0.229 101 P C 0.834 178.094 177.300 -0.067 0.000 1.160 101 P CA 0.894 64.020 63.100 0.043 0.000 0.777 101 P CB 0.068 31.775 31.700 0.012 0.000 0.814 102 L N -2.477 118.636 121.223 -0.182 0.000 2.291 102 L HA 0.008 4.348 4.340 -0.000 0.000 0.214 102 L C 0.869 177.394 176.870 -0.575 0.000 1.120 102 L CA 0.170 54.711 54.840 -0.500 0.000 0.799 102 L CB -0.601 40.884 42.059 -0.956 0.000 0.925 102 L HN -0.091 nan 8.230 nan 0.000 0.446 103 F N 1.633 121.367 119.950 -0.359 0.000 2.529 103 F HA 0.104 4.631 4.527 -0.000 0.000 0.365 103 F C -1.334 174.212 175.800 -0.423 0.000 1.102 103 F CA -2.112 55.611 58.000 -0.462 0.000 1.271 103 F CB -0.284 38.340 39.000 -0.627 0.000 1.120 103 F HN -0.119 nan 8.300 nan 0.000 0.579 104 P HA -0.062 nan 4.420 nan 0.000 0.268 104 P C -0.679 176.598 177.300 -0.038 0.000 1.205 104 P CA -0.238 62.765 63.100 -0.162 0.000 0.771 104 P CB 0.549 32.118 31.700 -0.218 0.000 0.858 105 E N 1.102 121.330 120.200 0.047 0.000 2.265 105 E HA 0.300 4.650 4.350 -0.000 0.000 0.272 105 E C 0.906 177.625 176.600 0.198 0.000 1.067 105 E CA 0.359 56.816 56.400 0.094 0.000 0.900 105 E CB -0.593 29.156 29.700 0.083 0.000 1.017 105 E HN 0.776 nan 8.360 nan 0.000 0.431 106 G N 4.233 113.158 108.800 0.208 0.000 2.229 106 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.189 106 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.189 106 G C -0.184 174.956 174.900 0.399 0.000 1.000 106 G CA -0.270 44.998 45.100 0.280 0.000 0.663 106 G HN 0.551 nan 8.290 nan 0.000 0.493 107 F N 2.482 122.524 119.950 0.154 0.000 2.506 107 F HA 0.466 4.993 4.527 -0.000 0.000 0.371 107 F C 1.445 177.318 175.800 0.121 0.000 1.078 107 F CA 0.565 58.605 58.000 0.065 0.000 1.195 107 F CB 1.496 40.261 39.000 -0.391 0.000 1.099 107 F HN 0.336 nan 8.300 nan 0.000 0.548 108 V N 1.343 121.128 119.914 -0.215 0.000 3.432 108 V HA 0.306 4.426 4.120 -0.000 0.000 0.298 108 V C 0.254 176.204 176.094 -0.239 0.000 1.464 108 V CA -0.475 61.768 62.300 -0.096 0.000 1.046 108 V CB -0.636 31.146 31.823 -0.068 0.000 0.887 108 V HN 0.610 nan 8.190 nan 0.000 0.441 109 N N 3.076 121.424 118.700 -0.587 0.000 2.513 109 N HA 0.152 4.892 4.740 -0.000 0.000 0.268 109 N C -0.048 175.387 175.510 -0.125 0.000 1.180 109 N CA 0.360 53.199 53.050 -0.352 0.000 0.948 109 N CB 1.025 39.286 38.487 -0.378 0.000 1.083 109 N HN 0.691 nan 8.380 nan 0.000 0.455 110 E N 1.544 121.684 120.200 -0.099 0.000 2.324 110 E HA 0.213 4.563 4.350 -0.000 0.000 0.271 110 E C -0.683 175.886 176.600 -0.051 0.000 1.028 110 E CA -0.593 55.727 56.400 -0.133 0.000 0.890 110 E CB 0.485 30.113 29.700 -0.119 0.000 1.004 110 E HN 0.359 nan 8.360 nan 0.000 0.431 111 V N 1.661 121.501 119.914 -0.124 0.000 2.680 111 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 111 V C -0.725 175.314 176.094 -0.092 0.000 1.052 111 V CA -0.979 61.288 62.300 -0.055 0.000 0.908 111 V CB 1.659 33.481 31.823 -0.001 0.000 1.001 111 V HN 0.759 nan 8.190 nan 0.000 0.431 112 Q N 2.240 122.016 119.800 -0.040 0.000 2.292 112 Q HA 0.657 4.997 4.340 -0.000 0.000 0.270 112 Q C -1.869 174.116 176.000 -0.026 0.000 1.024 112 Q CA -0.646 55.134 55.803 -0.038 0.000 0.768 112 Q CB 2.474 31.196 28.738 -0.026 0.000 1.250 112 Q HN 0.832 nan 8.270 nan 0.000 0.447 113 V N 6.033 125.933 119.914 -0.022 0.000 2.304 113 V HA 0.340 4.460 4.120 -0.000 0.000 0.269 113 V C -0.397 175.691 176.094 -0.010 0.000 1.036 113 V CA -0.496 61.791 62.300 -0.023 0.000 0.840 113 V CB 0.621 32.436 31.823 -0.012 0.000 1.036 113 V HN 0.635 nan 8.190 nan 0.000 0.466 114 I N 4.523 125.078 120.570 -0.025 0.000 2.306 114 I HA 0.610 4.780 4.170 -0.000 0.000 0.288 114 I C 0.598 176.701 176.117 -0.023 0.000 1.036 114 I CA 0.081 61.375 61.300 -0.010 0.000 1.221 114 I CB 1.351 39.349 38.000 -0.004 0.000 1.385 114 I HN 0.592 nan 8.210 nan 0.000 0.472 115 A N 4.297 127.131 122.820 0.023 0.000 2.273 115 A HA 0.719 5.039 4.320 -0.000 0.000 0.315 115 A C -0.079 177.487 177.584 -0.031 0.000 1.256 115 A CA -0.490 51.572 52.037 0.041 0.000 0.851 115 A CB 0.896 20.001 19.000 0.175 0.000 1.172 115 A HN 0.546 nan 8.150 nan 0.000 0.508 116 T N 2.056 116.605 114.554 -0.009 0.000 2.807 116 T HA 0.491 4.841 4.350 -0.000 0.000 0.279 116 T C -0.587 174.082 174.700 -0.052 0.000 0.993 116 T CA -0.319 61.741 62.100 -0.066 0.000 0.970 116 T CB 0.658 69.548 68.868 0.037 0.000 0.950 116 T HN 0.490 nan 8.240 nan 0.000 0.441 117 V N 6.489 126.296 119.914 -0.178 0.000 2.427 117 V HA 0.235 4.355 4.120 -0.000 0.000 0.268 117 V C 1.115 177.108 176.094 -0.168 0.000 1.046 117 V CA -0.021 62.200 62.300 -0.132 0.000 0.970 117 V CB 1.045 32.769 31.823 -0.164 0.000 1.001 117 V HN 0.828 nan 8.190 nan 0.000 0.476 118 V N 3.988 123.854 119.914 -0.080 0.000 3.570 118 V HA 0.333 4.453 4.120 -0.000 0.000 0.257 118 V C 0.697 176.757 176.094 -0.056 0.000 1.272 118 V CA 1.056 63.314 62.300 -0.069 0.000 1.079 118 V CB 1.192 33.048 31.823 0.054 0.000 0.829 118 V HN 0.813 nan 8.190 nan 0.000 0.454 119 S N -1.110 114.564 115.700 -0.042 0.000 2.533 119 S HA 0.666 5.136 4.470 -0.000 0.000 0.271 119 S C -1.794 172.790 174.600 -0.026 0.000 1.143 119 S CA -0.255 57.931 58.200 -0.023 0.000 0.891 119 S CB 1.891 65.097 63.200 0.011 0.000 1.105 119 S HN 0.149 nan 8.310 nan 0.000 0.468 120 V N 4.217 124.115 119.914 -0.026 0.000 2.777 120 V HA 0.602 4.722 4.120 -0.000 0.000 0.306 120 V C -1.184 174.902 176.094 -0.013 0.000 1.112 120 V CA -0.709 61.579 62.300 -0.020 0.000 0.917 120 V CB 2.060 33.868 31.823 -0.026 0.000 1.018 120 V HN 0.950 nan 8.190 nan 0.000 0.426 121 N N 6.641 125.333 118.700 -0.014 0.000 2.455 121 N HA 0.553 5.293 4.740 -0.000 0.000 0.280 121 N C -1.918 173.588 175.510 -0.008 0.000 1.055 121 N CA -1.960 51.084 53.050 -0.010 0.000 0.961 121 N CB 2.259 40.736 38.487 -0.017 0.000 1.121 121 N HN 0.333 nan 8.380 nan 0.000 0.476 122 P HA -0.131 nan 4.420 nan 0.000 0.220 122 P C 0.554 177.857 177.300 0.005 0.000 1.144 122 P CA 1.211 64.314 63.100 0.004 0.000 0.800 122 P CB 0.392 32.096 31.700 0.007 0.000 0.772 123 Q N -1.425 118.376 119.800 0.003 0.000 2.349 123 Q HA 0.105 4.445 4.340 -0.000 0.000 0.209 123 Q C 0.444 176.439 176.000 -0.009 0.000 0.920 123 Q CA 0.614 56.422 55.803 0.008 0.000 0.901 123 Q CB 0.181 28.933 28.738 0.023 0.000 1.021 123 Q HN 0.152 nan 8.270 nan 0.000 0.519 124 V N 2.887 122.778 119.914 -0.039 0.000 2.370 124 V HA 0.217 4.337 4.120 -0.000 0.000 0.279 124 V C 0.152 176.220 176.094 -0.043 0.000 1.029 124 V CA -0.877 61.374 62.300 -0.083 0.000 0.870 124 V CB 1.394 33.108 31.823 -0.181 0.000 0.984 124 V HN 0.158 nan 8.190 nan 0.000 0.451 125 N N 7.294 125.978 118.700 -0.026 0.000 2.458 125 N HA 0.223 4.963 4.740 -0.000 0.000 0.270 125 N C -1.499 174.015 175.510 0.007 0.000 1.102 125 N CA -1.535 51.515 53.050 -0.000 0.000 0.967 125 N CB 2.175 40.667 38.487 0.008 0.000 1.078 125 N HN 0.354 nan 8.380 nan 0.000 0.471 126 P HA -0.061 nan 4.420 nan 0.000 0.237 126 P C 0.469 177.811 177.300 0.070 0.000 1.178 126 P CA 0.580 63.718 63.100 0.063 0.000 0.766 126 P CB 0.290 32.051 31.700 0.101 0.000 0.876 127 D N 1.462 121.875 120.400 0.022 0.000 2.144 127 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 127 D C 1.700 177.969 176.300 -0.051 0.000 0.984 127 D CA 1.165 55.124 54.000 -0.068 0.000 0.834 127 D CB -1.289 39.456 40.800 -0.092 0.000 0.955 127 D HN 0.280 nan 8.370 nan 0.000 0.465 128 I N -1.060 119.508 120.570 -0.004 0.000 2.584 128 I HA -0.038 4.132 4.170 -0.000 0.000 0.255 128 I C 2.288 178.423 176.117 0.031 0.000 1.145 128 I CA 0.202 61.514 61.300 0.020 0.000 1.462 128 I CB -0.722 37.312 38.000 0.057 0.000 1.102 128 I HN -0.144 nan 8.210 nan 0.000 0.433 129 V N 1.852 121.786 119.914 0.034 0.000 2.407 129 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 129 V C 2.946 179.064 176.094 0.040 0.000 1.055 129 V CA 1.863 64.185 62.300 0.038 0.000 1.049 129 V CB -1.387 30.457 31.823 0.034 0.000 0.662 129 V HN 0.593 nan 8.190 nan 0.000 0.455 130 A N -0.622 122.229 122.820 0.052 0.000 2.015 130 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 130 A C 2.219 179.810 177.584 0.012 0.000 1.163 130 A CA 1.747 53.822 52.037 0.063 0.000 0.646 130 A CB -0.433 18.647 19.000 0.132 0.000 0.806 130 A HN 0.510 nan 8.150 nan 0.000 0.448 131 M N -1.116 118.481 119.600 -0.005 0.000 2.200 131 M HA -0.025 4.454 4.480 -0.000 0.000 0.265 131 M C 1.867 178.158 176.300 -0.014 0.000 1.066 131 M CA 1.263 56.555 55.300 -0.013 0.000 1.127 131 M CB -0.385 32.209 32.600 -0.010 0.000 1.379 131 M HN 0.348 nan 8.290 nan 0.000 0.420 132 I N 0.123 120.688 120.570 -0.007 0.000 2.315 132 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 132 I C 2.595 178.698 176.117 -0.024 0.000 1.117 132 I CA 1.423 62.714 61.300 -0.014 0.000 1.404 132 I CB -0.902 37.100 38.000 0.003 0.000 1.071 132 I HN 0.303 nan 8.210 nan 0.000 0.419 133 G N 0.153 108.943 108.800 -0.017 0.000 2.422 133 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 133 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 133 G C 1.821 176.674 174.900 -0.079 0.000 1.146 133 G CA 0.813 45.889 45.100 -0.039 0.000 0.769 133 G HN 0.493 nan 8.290 nan 0.000 0.547 134 A N 0.213 122.990 122.820 -0.071 0.000 1.968 134 A HA 0.125 4.445 4.320 -0.000 0.000 0.217 134 A C 2.576 180.056 177.584 -0.172 0.000 1.169 134 A CA 2.032 54.005 52.037 -0.107 0.000 0.638 134 A CB -0.535 18.426 19.000 -0.066 0.000 0.812 134 A HN 0.385 nan 8.150 nan 0.000 0.446 135 S N -0.503 115.124 115.700 -0.123 0.000 2.387 135 S HA 0.065 4.535 4.470 -0.000 0.000 0.226 135 S C 2.114 176.624 174.600 -0.149 0.000 1.026 135 S CA 1.307 59.431 58.200 -0.127 0.000 0.972 135 S CB -0.334 62.841 63.200 -0.041 0.000 0.814 135 S HN 0.727 nan 8.310 nan 0.000 0.477 136 A N 0.925 123.677 122.820 -0.114 0.000 1.968 136 A HA 0.384 4.704 4.320 -0.000 0.000 0.217 136 A C 2.337 179.844 177.584 -0.128 0.000 1.169 136 A CA 1.456 53.434 52.037 -0.099 0.000 0.638 136 A CB -1.032 17.934 19.000 -0.057 0.000 0.812 136 A HN 0.649 nan 8.150 nan 0.000 0.446 137 A N -0.130 122.595 122.820 -0.159 0.000 1.872 137 A HA 0.038 4.358 4.320 -0.000 0.000 0.214 137 A C 2.067 179.520 177.584 -0.218 0.000 1.187 137 A CA 1.337 53.272 52.037 -0.170 0.000 0.614 137 A CB -0.568 18.326 19.000 -0.177 0.000 0.826 137 A HN 0.432 nan 8.150 nan 0.000 0.442 138 L N -0.177 120.838 121.223 -0.348 0.000 2.275 138 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 138 L C 2.616 179.233 176.870 -0.422 0.000 1.119 138 L CA 1.087 55.610 54.840 -0.527 0.000 0.790 138 L CB -0.165 41.223 42.059 -1.118 0.000 0.919 138 L HN 0.311 nan 8.230 nan 0.000 0.443 139 S N -0.238 115.295 115.700 -0.278 0.000 2.377 139 S HA 0.003 4.473 4.470 -0.000 0.000 0.223 139 S C 1.832 176.372 174.600 -0.100 0.000 1.030 139 S CA 0.802 58.922 58.200 -0.134 0.000 0.970 139 S CB -0.060 63.090 63.200 -0.082 0.000 0.830 139 S HN 0.296 nan 8.310 nan 0.000 0.473 140 L N 2.008 123.173 121.223 -0.097 0.000 2.395 140 L HA 0.012 4.352 4.340 -0.000 0.000 0.218 140 L C 2.483 179.331 176.870 -0.036 0.000 1.130 140 L CA 0.691 55.499 54.840 -0.053 0.000 0.826 140 L CB -0.485 41.548 42.059 -0.044 0.000 0.941 140 L HN 0.384 nan 8.230 nan 0.000 0.451 141 S N -0.597 115.059 115.700 -0.074 0.000 2.383 141 S HA -0.026 4.444 4.470 -0.000 0.000 0.227 141 S C 1.796 176.402 174.600 0.009 0.000 1.026 141 S CA 0.918 59.094 58.200 -0.040 0.000 0.981 141 S CB -0.107 63.026 63.200 -0.112 0.000 0.818 141 S HN 0.495 nan 8.310 nan 0.000 0.472 142 G N 1.101 109.860 108.800 -0.067 0.000 2.234 142 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.235 142 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.235 142 G C 0.088 174.797 174.900 -0.319 0.000 0.997 142 G CA -0.068 45.020 45.100 -0.020 0.000 0.623 142 G HN 0.599 nan 8.290 nan 0.000 0.514 143 I N 3.777 123.940 120.570 -0.678 0.000 2.668 143 I HA 0.194 4.364 4.170 -0.000 0.000 0.285 143 I C -1.412 174.346 176.117 -0.598 0.000 1.168 143 I CA -1.475 59.198 61.300 -1.045 0.000 1.424 143 I CB 0.389 37.874 38.000 -0.858 0.000 1.377 143 I HN -0.053 nan 8.210 nan 0.000 0.560 144 P HA -0.105 nan 4.420 nan 0.000 0.251 144 P C -0.801 176.192 177.300 -0.511 0.000 1.154 144 P CA 0.709 63.495 63.100 -0.523 0.000 0.805 144 P CB -0.198 31.060 31.700 -0.736 0.000 0.759 145 F N 4.177 123.789 119.950 -0.562 0.000 2.671 145 F HA 0.281 4.808 4.527 -0.000 0.000 0.332 145 F C 0.189 175.728 175.800 -0.435 0.000 1.189 145 F CA -0.819 56.786 58.000 -0.659 0.000 0.988 145 F CB 1.194 39.794 39.000 -0.667 0.000 1.258 145 F HN 0.016 nan 8.300 nan 0.000 0.471 146 N N 4.210 122.433 118.700 -0.795 0.000 2.652 146 N HA 0.144 4.884 4.740 -0.000 0.000 0.259 146 N C 0.575 175.736 175.510 -0.581 0.000 1.240 146 N CA 0.289 53.015 53.050 -0.540 0.000 0.951 146 N CB 0.517 38.757 38.487 -0.412 0.000 1.281 146 N HN 0.820 nan 8.380 nan 0.000 0.507 147 G N 0.845 109.284 108.800 -0.602 0.000 2.882 147 G HA2 0.424 4.384 3.960 -0.000 0.000 0.164 147 G HA3 0.424 4.384 3.960 -0.000 0.000 0.164 147 G C -2.291 172.541 174.900 -0.113 0.000 1.429 147 G CA -0.358 44.551 45.100 -0.318 0.000 1.059 147 G HN 0.127 nan 8.290 nan 0.000 0.581 148 P HA 0.479 nan 4.420 nan 0.000 0.281 148 P C -0.545 176.758 177.300 0.006 0.000 1.281 148 P CA -0.590 62.548 63.100 0.064 0.000 0.811 148 P CB 1.144 32.853 31.700 0.014 0.000 1.154 149 I N -3.318 117.278 120.570 0.045 0.000 2.648 149 I HA 0.855 5.025 4.170 -0.000 0.000 0.304 149 I C 0.114 176.215 176.117 -0.027 0.000 1.009 149 I CA -1.006 60.299 61.300 0.007 0.000 1.114 149 I CB 1.987 40.013 38.000 0.043 0.000 1.293 149 I HN 0.290 nan 8.210 nan 0.000 0.449 150 G N 2.215 110.989 108.800 -0.043 0.000 2.454 150 G HA2 0.762 4.722 3.960 -0.000 0.000 0.329 150 G HA3 0.762 4.722 3.960 -0.000 0.000 0.329 150 G C -1.362 173.527 174.900 -0.018 0.000 1.177 150 G CA -0.877 44.183 45.100 -0.068 0.000 0.951 150 G HN 1.001 nan 8.290 nan 0.000 0.485 151 A N -0.275 122.538 122.820 -0.011 0.000 2.343 151 A HA 0.898 5.218 4.320 -0.000 0.000 0.308 151 A C -0.188 177.476 177.584 0.133 0.000 1.092 151 A CA -0.167 51.898 52.037 0.048 0.000 0.751 151 A CB 1.491 20.514 19.000 0.038 0.000 1.203 151 A HN 2.007 nan 8.150 nan 0.000 0.452 152 A N 2.386 125.292 122.820 0.143 0.000 2.427 152 A HA 0.763 5.083 4.320 -0.000 0.000 0.298 152 A C -0.423 177.246 177.584 0.140 0.000 1.036 152 A CA -0.596 51.557 52.037 0.192 0.000 0.701 152 A CB 1.128 20.231 19.000 0.171 0.000 1.250 152 A HN 0.867 nan 8.150 nan 0.000 0.412 153 R N 1.835 122.417 120.500 0.137 0.000 2.265 153 R HA 0.599 4.939 4.340 -0.000 0.000 0.319 153 R C -1.400 174.992 176.300 0.153 0.000 1.006 153 R CA -0.269 55.901 56.100 0.118 0.000 0.880 153 R CB 1.154 31.509 30.300 0.093 0.000 1.077 153 R HN 0.496 nan 8.270 nan 0.000 0.454 154 V N 3.836 123.851 119.914 0.169 0.000 2.384 154 V HA 0.516 4.636 4.120 -0.000 0.000 0.287 154 V C 0.586 176.796 176.094 0.195 0.000 1.020 154 V CA -0.663 61.778 62.300 0.236 0.000 0.850 154 V CB 1.531 33.520 31.823 0.277 0.000 0.987 154 V HN 0.947 nan 8.190 nan 0.000 0.436 155 G N 2.598 111.511 108.800 0.189 0.000 2.441 155 G HA2 0.566 4.526 3.960 -0.000 0.000 0.334 155 G HA3 0.566 4.526 3.960 -0.000 0.000 0.334 155 G C -1.800 173.200 174.900 0.167 0.000 1.161 155 G CA -0.487 44.702 45.100 0.147 0.000 0.935 155 G HN 0.584 nan 8.290 nan 0.000 0.488 156 Y N 1.500 121.790 120.300 -0.017 0.000 2.488 156 Y HA 0.545 5.095 4.550 -0.000 0.000 0.330 156 Y C -0.545 175.293 175.900 -0.103 0.000 1.013 156 Y CA -0.887 57.154 58.100 -0.098 0.000 1.304 156 Y CB 0.921 39.328 38.460 -0.089 0.000 1.098 156 Y HN 0.331 nan 8.280 nan 0.000 0.498 157 I N 6.353 126.724 120.570 -0.332 0.000 2.390 157 I HA 0.207 4.377 4.170 -0.000 0.000 0.283 157 I C -0.740 175.167 176.117 -0.349 0.000 1.016 157 I CA -1.067 60.085 61.300 -0.247 0.000 1.151 157 I CB 0.960 38.875 38.000 -0.142 0.000 1.293 157 I HN 0.797 nan 8.210 nan 0.000 0.458 158 N N 4.532 123.058 118.700 -0.291 0.000 2.608 158 N HA -0.268 4.472 4.740 -0.000 0.000 0.273 158 N C -0.377 174.902 175.510 -0.385 0.000 1.133 158 N CA 0.861 53.759 53.050 -0.254 0.000 0.726 158 N CB -1.560 36.835 38.487 -0.154 0.000 0.890 158 N HN 0.771 nan 8.380 nan 0.000 0.548 159 D N -2.235 117.839 120.400 -0.542 0.000 2.751 159 D HA -0.248 4.392 4.640 -0.000 0.000 0.233 159 D C -0.350 175.538 176.300 -0.688 0.000 1.149 159 D CA 1.784 55.464 54.000 -0.534 0.000 0.682 159 D CB -0.699 39.983 40.800 -0.197 0.000 1.068 159 D HN 0.943 nan 8.370 nan 0.000 0.429 160 Q N -0.617 118.556 119.800 -1.044 0.000 2.320 160 Q HA 0.403 4.743 4.340 -0.000 0.000 0.272 160 Q C -1.751 173.729 176.000 -0.868 0.000 1.023 160 Q CA -0.652 54.693 55.803 -0.764 0.000 0.855 160 Q CB 1.192 29.680 28.738 -0.417 0.000 1.367 160 Q HN 0.104 nan 8.270 nan 0.000 0.406 161 Y N 1.527 121.518 120.300 -0.516 0.000 2.316 161 Y HA 0.582 5.132 4.550 -0.000 0.000 0.331 161 Y C -0.117 175.446 175.900 -0.563 0.000 1.083 161 Y CA -0.673 57.043 58.100 -0.639 0.000 1.206 161 Y CB 1.255 38.972 38.460 -1.238 0.000 1.195 161 Y HN 0.298 nan 8.280 nan 0.000 0.497 162 V N 5.235 125.098 119.914 -0.085 0.000 2.495 162 V HA 0.267 4.387 4.120 -0.000 0.000 0.298 162 V C -0.584 175.668 176.094 0.262 0.000 1.031 162 V CA -0.955 61.388 62.300 0.072 0.000 0.871 162 V CB 1.770 33.603 31.823 0.017 0.000 0.988 162 V HN 0.535 nan 8.190 nan 0.000 0.432 163 L N 5.513 126.927 121.223 0.318 0.000 2.290 163 L HA 0.521 4.861 4.340 -0.000 0.000 0.284 163 L C 0.502 177.420 176.870 0.080 0.000 1.078 163 L CA 0.429 55.406 54.840 0.228 0.000 0.815 163 L CB 0.171 42.285 42.059 0.091 0.000 1.162 163 L HN 0.769 nan 8.230 nan 0.000 0.435 164 N N 3.850 122.598 118.700 0.080 0.000 2.586 164 N HA -0.142 4.598 4.740 -0.000 0.000 0.282 164 N C -2.465 173.103 175.510 0.097 0.000 1.171 164 N CA 0.539 53.633 53.050 0.074 0.000 0.733 164 N CB -0.977 37.535 38.487 0.042 0.000 0.910 164 N HN 0.487 nan 8.380 nan 0.000 0.548 165 P HA 0.206 nan 4.420 nan 0.000 0.286 165 P C 0.318 177.658 177.300 0.067 0.000 1.261 165 P CA -0.262 62.882 63.100 0.073 0.000 0.821 165 P CB 0.818 32.555 31.700 0.062 0.000 1.013 166 T N -0.707 113.885 114.554 0.064 0.000 2.788 166 T HA 0.104 4.454 4.350 -0.000 0.000 0.280 166 T C 1.387 176.108 174.700 0.035 0.000 0.984 166 T CA -0.488 61.642 62.100 0.050 0.000 0.972 166 T CB 0.323 69.225 68.868 0.056 0.000 1.039 166 T HN 0.258 nan 8.240 nan 0.000 0.530 167 Q N 0.340 120.156 119.800 0.028 0.000 2.226 167 Q HA -0.102 4.238 4.340 -0.000 0.000 0.204 167 Q C 1.611 177.624 176.000 0.022 0.000 0.975 167 Q CA 1.435 57.252 55.803 0.024 0.000 0.866 167 Q CB -0.422 28.328 28.738 0.020 0.000 0.915 167 Q HN 0.690 nan 8.270 nan 0.000 0.440 168 D N 0.388 120.801 120.400 0.022 0.000 2.234 168 D HA -0.075 4.565 4.640 -0.000 0.000 0.205 168 D C 1.408 177.717 176.300 0.016 0.000 0.962 168 D CA 0.644 54.654 54.000 0.017 0.000 0.855 168 D CB 0.137 40.947 40.800 0.016 0.000 0.951 168 D HN 0.400 nan 8.370 nan 0.000 0.500 169 E N -0.155 120.057 120.200 0.020 0.000 2.318 169 E HA 0.071 4.421 4.350 -0.000 0.000 0.193 169 E C 1.937 178.549 176.600 0.020 0.000 0.998 169 E CA -0.004 56.406 56.400 0.017 0.000 0.859 169 E CB 0.234 29.947 29.700 0.021 0.000 0.812 169 E HN 0.213 nan 8.360 nan 0.000 0.492 170 L N 0.876 122.115 121.223 0.026 0.000 2.376 170 L HA -0.091 4.249 4.340 -0.000 0.000 0.219 170 L C 2.022 178.907 176.870 0.025 0.000 1.133 170 L CA 0.774 55.632 54.840 0.030 0.000 0.816 170 L CB -0.025 42.054 42.059 0.033 0.000 0.933 170 L HN 0.001 nan 8.230 nan 0.000 0.449 171 K N -0.315 120.097 120.400 0.020 0.000 2.211 171 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 171 K C 1.437 178.045 176.600 0.013 0.000 1.050 171 K CA 0.765 57.062 56.287 0.016 0.000 0.945 171 K CB 0.171 32.679 32.500 0.013 0.000 0.732 171 K HN 0.220 nan 8.250 nan 0.000 0.451 172 E N 0.157 120.363 120.200 0.010 0.000 2.460 172 E HA 0.039 4.389 4.350 -0.000 0.000 0.200 172 E C 0.265 176.871 176.600 0.010 0.000 1.011 172 E CA 0.090 56.493 56.400 0.004 0.000 0.912 172 E CB 0.619 30.315 29.700 -0.007 0.000 0.953 172 E HN -0.038 nan 8.360 nan 0.000 0.494 173 S N 0.824 116.537 115.700 0.021 0.000 2.565 173 S HA 0.056 4.526 4.470 -0.000 0.000 0.276 173 S C 1.096 175.733 174.600 0.062 0.000 1.326 173 S CA -0.196 58.030 58.200 0.043 0.000 1.045 173 S CB 1.001 64.233 63.200 0.052 0.000 0.918 173 S HN -0.120 nan 8.310 nan 0.000 0.505 174 K N 3.056 123.521 120.400 0.109 0.000 2.356 174 K HA 0.317 4.637 4.320 -0.000 0.000 0.195 174 K C 0.391 177.023 176.600 0.054 0.000 1.037 174 K CA 0.112 56.452 56.287 0.089 0.000 1.014 174 K CB -0.336 32.243 32.500 0.133 0.000 0.815 174 K HN 0.658 nan 8.250 nan 0.000 0.507 175 L N 0.510 121.788 121.223 0.090 0.000 2.431 175 L HA 0.576 4.916 4.340 -0.000 0.000 0.266 175 L C -2.171 174.747 176.870 0.079 0.000 0.978 175 L CA -0.612 54.260 54.840 0.054 0.000 0.822 175 L CB 2.488 44.557 42.059 0.016 0.000 1.310 175 L HN -0.018 nan 8.230 nan 0.000 0.409 176 D N 4.407 124.838 120.400 0.052 0.000 2.476 176 D HA 0.550 5.190 4.640 -0.000 0.000 0.251 176 D C -1.583 174.743 176.300 0.044 0.000 1.291 176 D CA -0.249 53.785 54.000 0.056 0.000 0.939 176 D CB 1.422 42.247 40.800 0.042 0.000 1.221 176 D HN 0.552 nan 8.370 nan 0.000 0.567 177 L N 1.352 122.613 121.223 0.063 0.000 2.409 177 L HA 0.831 5.171 4.340 -0.000 0.000 0.262 177 L C -1.555 175.351 176.870 0.060 0.000 0.992 177 L CA -1.093 53.776 54.840 0.050 0.000 0.817 177 L CB 1.953 44.042 42.059 0.050 0.000 1.350 177 L HN 0.074 nan 8.230 nan 0.000 0.411 178 V N 2.883 122.821 119.914 0.040 0.000 2.334 178 V HA 0.543 4.663 4.120 -0.000 0.000 0.281 178 V C -0.159 175.962 176.094 0.045 0.000 1.016 178 V CA -0.571 61.755 62.300 0.044 0.000 0.832 178 V CB 1.384 33.219 31.823 0.019 0.000 0.999 178 V HN 0.704 nan 8.190 nan 0.000 0.439 179 V N 5.309 125.263 119.914 0.067 0.000 2.427 179 V HA 0.930 5.050 4.120 -0.000 0.000 0.286 179 V C 0.194 176.332 176.094 0.073 0.000 1.034 179 V CA 0.002 62.345 62.300 0.072 0.000 0.893 179 V CB 1.539 33.418 31.823 0.094 0.000 0.982 179 V HN 1.043 nan 8.190 nan 0.000 0.452 180 A N 4.532 127.392 122.820 0.066 0.000 2.414 180 A HA 1.027 5.347 4.320 -0.000 0.000 0.306 180 A C -0.162 177.469 177.584 0.078 0.000 1.054 180 A CA 0.025 52.100 52.037 0.063 0.000 0.724 180 A CB 1.918 20.942 19.000 0.040 0.000 1.267 180 A HN 1.892 nan 8.150 nan 0.000 0.418 181 G N -0.397 108.458 108.800 0.091 0.000 2.411 181 G HA2 0.546 4.506 3.960 -0.000 0.000 0.295 181 G HA3 0.546 4.506 3.960 -0.000 0.000 0.295 181 G C -0.468 174.480 174.900 0.080 0.000 1.542 181 G CA 0.287 45.449 45.100 0.103 0.000 0.814 181 G HN 1.015 nan 8.290 nan 0.000 0.557 182 T N -1.152 113.427 114.554 0.043 0.000 2.732 182 T HA 0.221 4.571 4.350 -0.000 0.000 0.287 182 T C 1.558 176.270 174.700 0.020 0.000 0.993 182 T CA 0.757 62.850 62.100 -0.012 0.000 0.966 182 T CB 1.014 69.836 68.868 -0.078 0.000 1.047 182 T HN 0.653 nan 8.240 nan 0.000 0.527 183 E N -0.160 120.013 120.200 -0.045 0.000 2.118 183 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 183 E C 2.018 178.620 176.600 0.004 0.000 0.992 183 E CA 1.236 57.600 56.400 -0.060 0.000 0.804 183 E CB -0.356 29.297 29.700 -0.078 0.000 0.741 183 E HN 0.656 nan 8.360 nan 0.000 0.458 184 A N 0.669 123.494 122.820 0.008 0.000 1.874 184 A HA 0.341 4.661 4.320 -0.000 0.000 0.214 184 A C 1.100 178.710 177.584 0.045 0.000 1.189 184 A CA 1.186 53.230 52.037 0.010 0.000 0.615 184 A CB -0.066 18.914 19.000 -0.032 0.000 0.830 184 A HN 0.356 nan 8.150 nan 0.000 0.443 185 A N -2.114 120.732 122.820 0.043 0.000 2.602 185 A HA 0.582 4.902 4.320 -0.000 0.000 0.290 185 A C -0.630 176.905 177.584 -0.082 0.000 1.114 185 A CA -0.364 51.633 52.037 -0.067 0.000 0.683 185 A CB 0.404 19.344 19.000 -0.100 0.000 1.281 185 A HN 0.507 nan 8.150 nan 0.000 0.416 186 V N 0.587 120.323 119.914 -0.297 0.000 2.881 186 V HA 0.326 4.446 4.120 -0.000 0.000 0.303 186 V C 0.806 176.854 176.094 -0.075 0.000 1.070 186 V CA 0.210 62.393 62.300 -0.194 0.000 1.074 186 V CB 0.889 32.557 31.823 -0.258 0.000 1.012 186 V HN 0.811 nan 8.190 nan 0.000 0.482 187 L N 1.807 123.018 121.223 -0.020 0.000 2.713 187 L HA 0.421 4.761 4.340 -0.000 0.000 0.223 187 L C 0.479 177.355 176.870 0.011 0.000 1.040 187 L CA 0.376 55.210 54.840 -0.010 0.000 0.894 187 L CB 0.488 42.541 42.059 -0.010 0.000 1.361 187 L HN 0.599 nan 8.230 nan 0.000 0.490 188 M N -0.084 119.528 119.600 0.020 0.000 2.755 188 M HA 0.703 5.183 4.480 -0.000 0.000 0.298 188 M C -1.934 174.382 176.300 0.026 0.000 1.251 188 M CA -0.658 54.656 55.300 0.023 0.000 0.817 188 M CB 2.931 35.542 32.600 0.018 0.000 1.760 188 M HN -0.240 nan 8.290 nan 0.000 0.473 189 V N 1.621 121.545 119.914 0.017 0.000 2.851 189 V HA 0.354 4.474 4.120 -0.000 0.000 0.290 189 V C -1.787 174.297 176.094 -0.016 0.000 1.330 189 V CA -0.669 61.638 62.300 0.012 0.000 0.944 189 V CB 1.875 33.714 31.823 0.025 0.000 1.090 189 V HN 0.866 nan 8.190 nan 0.000 0.436 190 E N 3.006 123.196 120.200 -0.017 0.000 2.216 190 E HA 0.801 5.150 4.350 -0.000 0.000 0.260 190 E C -0.672 175.911 176.600 -0.028 0.000 0.880 190 E CA -0.137 56.242 56.400 -0.036 0.000 0.765 190 E CB 1.996 31.671 29.700 -0.041 0.000 1.174 190 E HN 0.947 nan 8.360 nan 0.000 0.417 191 S N 2.862 118.537 115.700 -0.042 0.000 2.588 191 S HA 0.779 5.249 4.470 -0.000 0.000 0.275 191 S C -1.130 173.445 174.600 -0.041 0.000 1.130 191 S CA -1.017 57.165 58.200 -0.030 0.000 0.855 191 S CB 1.434 64.618 63.200 -0.026 0.000 1.116 191 S HN 0.480 nan 8.310 nan 0.000 0.472 192 E N 0.563 120.747 120.200 -0.027 0.000 2.290 192 E HA 0.727 5.077 4.350 -0.000 0.000 0.274 192 E C -1.042 175.542 176.600 -0.026 0.000 0.889 192 E CA -1.366 55.015 56.400 -0.032 0.000 0.760 192 E CB 1.788 31.474 29.700 -0.023 0.000 1.206 192 E HN 0.916 nan 8.360 nan 0.000 0.419 193 A N 2.527 125.323 122.820 -0.041 0.000 2.469 193 A HA 0.462 4.782 4.320 -0.000 0.000 0.299 193 A C -0.719 176.837 177.584 -0.048 0.000 1.098 193 A CA -0.865 51.143 52.037 -0.048 0.000 0.737 193 A CB 2.024 20.977 19.000 -0.078 0.000 1.312 193 A HN 0.559 nan 8.150 nan 0.000 0.414 194 Q N 0.617 120.390 119.800 -0.045 0.000 3.150 194 Q HA 0.535 4.875 4.340 -0.000 0.000 0.297 194 Q C -1.132 174.840 176.000 -0.047 0.000 1.382 194 Q CA 0.020 55.801 55.803 -0.036 0.000 1.059 194 Q CB -1.059 27.669 28.738 -0.016 0.000 1.559 194 Q HN 0.667 nan 8.270 nan 0.000 0.548 195 L N 1.198 122.388 121.223 -0.055 0.000 3.639 195 L HA -0.269 4.071 4.340 -0.000 0.000 0.648 195 L C -1.203 175.627 176.870 -0.066 0.000 1.130 195 L CA 1.018 55.825 54.840 -0.054 0.000 1.057 195 L CB -1.304 40.730 42.059 -0.042 0.000 1.428 195 L HN 0.489 nan 8.230 nan 0.000 0.829 196 L N 0.086 121.257 121.223 -0.088 0.000 2.319 196 L HA 0.736 5.076 4.340 -0.000 0.000 0.267 196 L C 0.905 177.725 176.870 -0.084 0.000 1.011 196 L CA -0.565 54.205 54.840 -0.118 0.000 0.818 196 L CB 2.070 43.998 42.059 -0.217 0.000 1.316 196 L HN 0.499 nan 8.230 nan 0.000 0.432 197 S N -0.132 115.524 115.700 -0.073 0.000 2.617 197 S HA 0.133 4.603 4.470 -0.000 0.000 0.259 197 S C 0.687 175.273 174.600 -0.023 0.000 1.301 197 S CA -0.470 57.708 58.200 -0.035 0.000 0.984 197 S CB 0.998 64.187 63.200 -0.019 0.000 0.954 197 S HN 0.635 nan 8.310 nan 0.000 0.572 198 E N 0.695 120.897 120.200 0.003 0.000 2.072 198 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 198 E C 1.445 178.064 176.600 0.032 0.000 0.985 198 E CA 1.481 57.895 56.400 0.024 0.000 0.801 198 E CB -0.228 29.494 29.700 0.037 0.000 0.750 198 E HN 0.627 nan 8.360 nan 0.000 0.452 199 D N 0.367 120.786 120.400 0.033 0.000 2.178 199 D HA -0.130 4.510 4.640 -0.000 0.000 0.202 199 D C 1.762 178.112 176.300 0.083 0.000 0.974 199 D CA 0.864 54.896 54.000 0.053 0.000 0.841 199 D CB -0.062 40.770 40.800 0.054 0.000 0.953 199 D HN 0.300 nan 8.370 nan 0.000 0.478 200 Q N -0.580 119.249 119.800 0.048 0.000 2.172 200 Q HA 0.009 4.349 4.340 -0.000 0.000 0.200 200 Q C 2.130 178.158 176.000 0.047 0.000 0.964 200 Q CA 0.597 56.424 55.803 0.040 0.000 0.855 200 Q CB 0.135 28.762 28.738 -0.185 0.000 0.918 200 Q HN 0.182 nan 8.270 nan 0.000 0.444 201 M N 0.071 119.674 119.600 0.005 0.000 2.156 201 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 201 M C 2.127 178.456 176.300 0.047 0.000 1.067 201 M CA 0.983 56.292 55.300 0.014 0.000 1.131 201 M CB -0.556 32.044 32.600 0.000 0.000 1.368 201 M HN 0.265 nan 8.290 nan 0.000 0.416 202 L N 0.284 121.539 121.223 0.053 0.000 2.093 202 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 202 L C 2.212 179.089 176.870 0.013 0.000 1.085 202 L CA 1.919 56.786 54.840 0.044 0.000 0.755 202 L CB -1.206 40.877 42.059 0.040 0.000 0.904 202 L HN 0.286 nan 8.230 nan 0.000 0.435 203 G N -1.194 107.615 108.800 0.015 0.000 2.443 203 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 203 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 203 G C 1.543 176.229 174.900 -0.357 0.000 1.131 203 G CA 0.622 45.662 45.100 -0.100 0.000 0.775 203 G HN 0.599 nan 8.290 nan 0.000 0.547 204 A N 0.102 122.816 122.820 -0.177 0.000 1.968 204 A HA 0.209 4.528 4.320 -0.000 0.000 0.217 204 A C 2.513 180.115 177.584 0.029 0.000 1.169 204 A CA 1.442 53.422 52.037 -0.097 0.000 0.638 204 A CB -0.275 18.828 19.000 0.170 0.000 0.812 204 A HN 0.217 nan 8.150 nan 0.000 0.446 205 V N -0.440 119.490 119.914 0.027 0.000 2.379 205 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 205 V C 2.522 178.647 176.094 0.052 0.000 1.044 205 V CA 1.841 64.170 62.300 0.049 0.000 1.036 205 V CB -0.665 31.180 31.823 0.037 0.000 0.664 205 V HN 0.354 nan 8.190 nan 0.000 0.453 206 V N -0.431 119.494 119.914 0.019 0.000 2.358 206 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 206 V C 2.183 178.316 176.094 0.065 0.000 1.047 206 V CA 2.238 64.559 62.300 0.035 0.000 1.035 206 V CB -0.775 31.050 31.823 0.003 0.000 0.658 206 V HN 0.552 nan 8.190 nan 0.000 0.452 207 F N 2.241 122.107 119.950 -0.140 0.000 2.095 207 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 207 F C 2.183 177.968 175.800 -0.025 0.000 1.104 207 F CA 1.910 59.829 58.000 -0.135 0.000 1.232 207 F CB -0.812 37.993 39.000 -0.324 0.000 0.987 207 F HN 0.141 nan 8.300 nan 0.000 0.475 208 G N -1.248 107.581 108.800 0.048 0.000 2.408 208 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 208 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 208 G C 1.769 176.666 174.900 -0.004 0.000 1.150 208 G CA 0.893 45.998 45.100 0.008 0.000 0.776 208 G HN 0.562 nan 8.290 nan 0.000 0.542 209 H N 0.657 119.695 119.070 -0.054 0.000 2.423 209 H HA 0.060 4.616 4.556 -0.000 0.000 0.297 209 H C 2.240 177.523 175.328 -0.076 0.000 1.075 209 H CA 1.413 57.431 56.048 -0.049 0.000 1.342 209 H CB 0.245 29.985 29.762 -0.037 0.000 1.395 209 H HN 0.453 nan 8.280 nan 0.000 0.530 210 E N -0.139 119.995 120.200 -0.110 0.000 2.152 210 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 210 E C 2.219 178.698 176.600 -0.201 0.000 0.983 210 E CA 0.379 56.681 56.400 -0.162 0.000 0.818 210 E CB 0.276 29.907 29.700 -0.115 0.000 0.758 210 E HN 0.449 nan 8.360 nan 0.000 0.467 211 Q N 0.220 119.869 119.800 -0.253 0.000 2.331 211 Q HA -0.096 4.244 4.340 -0.000 0.000 0.203 211 Q C 1.836 177.859 176.000 0.038 0.000 0.944 211 Q CA 0.782 56.478 55.803 -0.179 0.000 0.892 211 Q CB 0.211 28.732 28.738 -0.362 0.000 0.983 211 Q HN 0.499 nan 8.270 nan 0.000 0.482 212 Q N -0.648 119.140 119.800 -0.020 0.000 2.444 212 Q HA 0.020 4.360 4.340 -0.000 0.000 0.206 212 Q C 1.340 177.254 176.000 -0.143 0.000 0.948 212 Q CA 0.186 55.977 55.803 -0.019 0.000 0.946 212 Q CB 0.188 28.909 28.738 -0.028 0.000 1.027 212 Q HN 0.090 nan 8.270 nan 0.000 0.513 213 Q N 0.641 120.341 119.800 -0.166 0.000 2.224 213 Q HA -0.072 4.268 4.340 -0.000 0.000 0.203 213 Q C 2.065 177.968 176.000 -0.162 0.000 0.970 213 Q CA 1.094 56.784 55.803 -0.189 0.000 0.865 213 Q CB -0.046 28.582 28.738 -0.183 0.000 0.922 213 Q HN 0.371 nan 8.270 nan 0.000 0.445 214 V N 0.186 120.031 119.914 -0.116 0.000 2.809 214 V HA -0.135 3.985 4.120 -0.000 0.000 0.256 214 V C 2.092 177.996 176.094 -0.318 0.000 1.080 214 V CA 0.776 62.995 62.300 -0.134 0.000 1.102 214 V CB -0.029 31.812 31.823 0.030 0.000 0.705 214 V HN 0.073 nan 8.190 nan 0.000 0.475 215 V N 0.418 120.139 119.914 -0.322 0.000 2.307 215 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 215 V C 2.197 178.079 176.094 -0.353 0.000 1.045 215 V CA 2.498 64.557 62.300 -0.403 0.000 1.024 215 V CB -0.456 31.137 31.823 -0.383 0.000 0.651 215 V HN 0.522 nan 8.190 nan 0.000 0.449 216 I N -0.326 120.092 120.570 -0.254 0.000 2.493 216 I HA -0.211 3.959 4.170 -0.000 0.000 0.254 216 I C 2.580 178.569 176.117 -0.213 0.000 1.160 216 I CA 0.977 62.159 61.300 -0.198 0.000 1.445 216 I CB -0.496 37.409 38.000 -0.158 0.000 1.086 216 I HN 0.300 nan 8.210 nan 0.000 0.433 217 Q N 0.744 120.393 119.800 -0.251 0.000 2.119 217 Q HA -0.122 4.218 4.340 -0.000 0.000 0.201 217 Q C 1.805 177.640 176.000 -0.275 0.000 0.972 217 Q CA 1.318 56.983 55.803 -0.230 0.000 0.847 217 Q CB -0.461 28.149 28.738 -0.212 0.000 0.903 217 Q HN 0.634 nan 8.270 nan 0.000 0.433 218 N N 0.053 118.489 118.700 -0.439 0.000 2.376 218 N HA 0.043 4.783 4.740 -0.000 0.000 0.177 218 N C 1.931 177.275 175.510 -0.277 0.000 1.024 218 N CA 0.358 53.132 53.050 -0.460 0.000 0.893 218 N CB 0.239 38.144 38.487 -0.970 0.000 0.980 218 N HN 0.229 nan 8.380 nan 0.000 0.439 219 I N 1.491 121.915 120.570 -0.244 0.000 2.315 219 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 219 I C 1.714 177.766 176.117 -0.109 0.000 1.117 219 I CA 0.810 62.026 61.300 -0.141 0.000 1.404 219 I CB -0.193 37.736 38.000 -0.119 0.000 1.071 219 I HN 0.042 nan 8.210 nan 0.000 0.419 220 N N 0.548 119.176 118.700 -0.121 0.000 2.381 220 N HA -0.127 4.613 4.740 -0.000 0.000 0.182 220 N C 1.654 177.116 175.510 -0.081 0.000 1.025 220 N CA 0.946 53.941 53.050 -0.092 0.000 0.888 220 N CB -0.030 38.400 38.487 -0.095 0.000 0.965 220 N HN 0.393 nan 8.380 nan 0.000 0.438 221 E N 0.678 120.820 120.200 -0.097 0.000 2.190 221 E HA 0.026 4.376 4.350 -0.000 0.000 0.191 221 E C 2.043 178.611 176.600 -0.053 0.000 0.978 221 E CA 0.024 56.379 56.400 -0.074 0.000 0.839 221 E CB -0.093 29.555 29.700 -0.088 0.000 0.787 221 E HN 0.298 nan 8.360 nan 0.000 0.473 222 L N 0.532 121.720 121.223 -0.057 0.000 2.156 222 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 222 L C 2.274 179.129 176.870 -0.026 0.000 1.095 222 L CA 0.518 55.339 54.840 -0.032 0.000 0.770 222 L CB 0.083 42.127 42.059 -0.026 0.000 0.914 222 L HN -0.054 nan 8.230 nan 0.000 0.439 223 V N -0.382 119.510 119.914 -0.036 0.000 2.970 223 V HA -0.217 3.902 4.120 -0.000 0.000 0.260 223 V C 2.164 178.247 176.094 -0.019 0.000 1.100 223 V CA 1.537 63.820 62.300 -0.028 0.000 1.122 223 V CB -0.398 31.403 31.823 -0.037 0.000 0.721 223 V HN 0.450 nan 8.190 nan 0.000 0.483 224 K N -0.663 119.723 120.400 -0.022 0.000 2.305 224 K HA -0.007 4.313 4.320 -0.000 0.000 0.199 224 K C 1.858 178.453 176.600 -0.008 0.000 1.047 224 K CA 1.022 57.299 56.287 -0.016 0.000 0.976 224 K CB 0.166 32.654 32.500 -0.021 0.000 0.765 224 K HN 0.580 nan 8.250 nan 0.000 0.474 225 E N -0.003 120.193 120.200 -0.007 0.000 2.079 225 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 225 E C 1.042 177.645 176.600 0.006 0.000 0.961 225 E CA 0.639 57.038 56.400 -0.000 0.000 0.823 225 E CB 0.345 30.046 29.700 0.001 0.000 0.789 225 E HN 0.164 nan 8.360 nan 0.000 0.459 226 A N 1.124 123.947 122.820 0.005 0.000 2.589 226 A HA 0.367 4.687 4.320 -0.000 0.000 0.283 226 A C 0.622 178.212 177.584 0.011 0.000 1.187 226 A CA -0.049 51.995 52.037 0.011 0.000 0.957 226 A CB 0.534 19.543 19.000 0.014 0.000 1.175 226 A HN 0.149 nan 8.150 nan 0.000 0.532 227 G N 0.469 109.273 108.800 0.007 0.000 2.380 227 G HA2 0.412 4.372 3.960 -0.000 0.000 0.262 227 G HA3 0.412 4.372 3.960 -0.000 0.000 0.262 227 G C -0.152 174.762 174.900 0.024 0.000 1.243 227 G CA -0.253 44.852 45.100 0.008 0.000 0.865 227 G HN 0.379 nan 8.290 nan 0.000 0.513 228 K N 3.042 123.464 120.400 0.036 0.000 2.218 228 K HA 0.246 4.566 4.320 -0.000 0.000 0.276 228 K C -1.719 174.929 176.600 0.081 0.000 1.022 228 K CA -1.172 55.152 56.287 0.062 0.000 0.946 228 K CB 0.973 33.523 32.500 0.083 0.000 1.000 228 K HN 0.368 nan 8.250 nan 0.000 0.468 229 P HA -0.040 nan 4.420 nan 0.000 0.267 229 P C -0.698 176.700 177.300 0.164 0.000 1.201 229 P CA 0.220 63.380 63.100 0.099 0.000 0.775 229 P CB 0.536 32.286 31.700 0.084 0.000 0.854 230 R N 0.749 121.338 120.500 0.148 0.000 2.643 230 R HA 0.101 4.441 4.340 -0.000 0.000 0.270 230 R C 0.036 176.542 176.300 0.344 0.000 1.061 230 R CA -0.072 56.146 56.100 0.197 0.000 1.107 230 R CB 0.151 30.525 30.300 0.124 0.000 0.999 230 R HN 0.475 nan 8.270 nan 0.000 0.460 231 W N 1.440 122.786 121.300 0.077 0.000 2.190 231 W HA -0.002 4.658 4.660 -0.000 0.000 0.330 231 W C 0.504 177.132 176.519 0.180 0.000 1.299 231 W CA -0.381 57.042 57.345 0.131 0.000 1.215 231 W CB 0.121 29.678 29.460 0.161 0.000 1.147 231 W HN 0.406 nan 8.180 nan 0.000 0.563 232 D N 2.510 123.109 120.400 0.332 0.000 2.344 232 D HA 0.063 4.703 4.640 -0.000 0.000 0.253 232 D C -1.237 175.312 176.300 0.414 0.000 1.255 232 D CA 0.101 54.259 54.000 0.264 0.000 0.894 232 D CB -0.128 40.748 40.800 0.127 0.000 1.067 232 D HN 0.387 nan 8.370 nan 0.000 0.492 233 W N 4.228 125.642 121.300 0.190 0.000 3.624 233 W HA 0.257 4.917 4.660 -0.000 0.000 0.312 233 W C -1.763 174.849 176.519 0.155 0.000 1.203 233 W CA -0.562 56.913 57.345 0.216 0.000 1.225 233 W CB 1.103 30.777 29.460 0.356 0.000 1.321 233 W HN 0.092 nan 8.180 nan 0.000 0.506 234 Q N 5.978 125.443 119.800 -0.558 0.000 2.331 234 Q HA 0.402 4.742 4.340 -0.000 0.000 0.272 234 Q C -2.298 173.089 176.000 -1.022 0.000 1.062 234 Q CA -1.772 53.718 55.803 -0.523 0.000 0.806 234 Q CB 2.631 31.241 28.738 -0.213 0.000 1.312 234 Q HN 0.327 nan 8.270 nan 0.000 0.431 235 P HA 0.080 nan 4.420 nan 0.000 0.269 235 P C -0.646 176.507 177.300 -0.245 0.000 1.215 235 P CA -0.200 62.657 63.100 -0.405 0.000 0.780 235 P CB 0.734 32.420 31.700 -0.024 0.000 0.898 236 E N 2.422 122.528 120.200 -0.156 0.000 2.465 236 E HA 0.106 4.456 4.350 -0.000 0.000 0.260 236 E C -1.867 174.698 176.600 -0.058 0.000 0.980 236 E CA -0.707 55.635 56.400 -0.097 0.000 0.927 236 E CB -1.185 28.486 29.700 -0.048 0.000 0.934 236 E HN 0.346 nan 8.360 nan 0.000 0.459 237 P HA -0.055 nan 4.420 nan 0.000 0.262 237 P C -0.762 176.529 177.300 -0.016 0.000 1.199 237 P CA -0.153 62.927 63.100 -0.033 0.000 0.763 237 P CB 0.464 32.144 31.700 -0.033 0.000 0.790 238 V N 4.264 124.174 119.914 -0.007 0.000 2.421 238 V HA 0.023 4.143 4.120 -0.000 0.000 0.271 238 V C 0.398 176.493 176.094 0.002 0.000 1.031 238 V CA -0.300 62.002 62.300 0.003 0.000 1.032 238 V CB -0.529 31.300 31.823 0.009 0.000 1.009 238 V HN 0.460 nan 8.190 nan 0.000 0.477 239 N N 5.145 123.848 118.700 0.004 0.000 2.402 239 N HA 0.070 4.810 4.740 -0.000 0.000 0.259 239 N C 0.989 176.503 175.510 0.006 0.000 1.167 239 N CA 0.517 53.569 53.050 0.004 0.000 0.949 239 N CB 0.829 39.318 38.487 0.005 0.000 1.212 239 N HN 0.850 nan 8.380 nan 0.000 0.493 240 E N 3.023 123.226 120.200 0.004 0.000 2.152 240 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 240 E C 1.280 177.883 176.600 0.005 0.000 0.983 240 E CA 0.885 57.288 56.400 0.005 0.000 0.818 240 E CB 0.108 29.810 29.700 0.003 0.000 0.758 240 E HN 0.706 nan 8.360 nan 0.000 0.467 241 A N 0.705 123.528 122.820 0.004 0.000 1.968 241 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 241 A C 2.028 179.616 177.584 0.006 0.000 1.169 241 A CA 0.754 52.793 52.037 0.004 0.000 0.638 241 A CB -0.351 18.651 19.000 0.003 0.000 0.812 241 A HN 0.351 nan 8.150 nan 0.000 0.446 242 L N 0.031 121.259 121.223 0.007 0.000 2.131 242 L HA -0.026 4.314 4.340 -0.000 0.000 0.206 242 L C 1.708 178.586 176.870 0.013 0.000 1.087 242 L CA 1.616 56.462 54.840 0.010 0.000 0.767 242 L CB -0.550 41.516 42.059 0.011 0.000 0.917 242 L HN 0.271 nan 8.230 nan 0.000 0.441 243 N N 0.082 118.790 118.700 0.013 0.000 2.223 243 N HA -0.106 4.634 4.740 -0.000 0.000 0.185 243 N C 1.757 177.275 175.510 0.012 0.000 1.016 243 N CA 1.336 54.394 53.050 0.015 0.000 0.863 243 N CB -0.283 38.212 38.487 0.014 0.000 0.983 243 N HN 0.496 nan 8.380 nan 0.000 0.429 244 A N 0.611 123.437 122.820 0.009 0.000 1.970 244 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 244 A C 2.262 179.851 177.584 0.008 0.000 1.170 244 A CA 0.802 52.843 52.037 0.007 0.000 0.645 244 A CB -0.242 18.761 19.000 0.005 0.000 0.816 244 A HN 0.158 nan 8.150 nan 0.000 0.447 245 R N -0.536 119.969 120.500 0.009 0.000 2.119 245 R HA -0.007 4.333 4.340 -0.000 0.000 0.222 245 R C 1.765 178.072 176.300 0.012 0.000 1.088 245 R CA 1.223 57.328 56.100 0.009 0.000 0.984 245 R CB -0.140 30.166 30.300 0.009 0.000 0.884 245 R HN 0.321 nan 8.270 nan 0.000 0.447 246 V N 0.548 120.470 119.914 0.014 0.000 2.379 246 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 246 V C 2.308 178.412 176.094 0.017 0.000 1.044 246 V CA 1.828 64.139 62.300 0.018 0.000 1.036 246 V CB -0.400 31.437 31.823 0.022 0.000 0.664 246 V HN 0.451 nan 8.190 nan 0.000 0.453 247 A N 0.031 122.860 122.820 0.014 0.000 2.015 247 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 247 A C 2.325 179.915 177.584 0.010 0.000 1.163 247 A CA 1.572 53.616 52.037 0.012 0.000 0.646 247 A CB -0.558 18.447 19.000 0.008 0.000 0.806 247 A HN 0.548 nan 8.150 nan 0.000 0.448 248 A N -0.867 121.959 122.820 0.009 0.000 2.121 248 A HA 0.176 4.496 4.320 -0.000 0.000 0.218 248 A C 1.805 179.394 177.584 0.009 0.000 1.154 248 A CA 1.243 53.285 52.037 0.008 0.000 0.679 248 A CB -0.316 18.689 19.000 0.007 0.000 0.795 248 A HN 0.470 nan 8.150 nan 0.000 0.458 249 L N -2.957 118.273 121.223 0.011 0.000 2.781 249 L HA 0.320 4.660 4.340 -0.000 0.000 0.245 249 L C 2.106 178.984 176.870 0.014 0.000 1.118 249 L CA 0.648 55.495 54.840 0.012 0.000 0.918 249 L CB 0.373 42.439 42.059 0.012 0.000 1.246 249 L HN 0.321 nan 8.230 nan 0.000 0.526 250 A N -0.680 122.149 122.820 0.016 0.000 1.975 250 A HA 0.036 4.355 4.320 -0.000 0.000 0.197 250 A C 1.927 179.524 177.584 0.022 0.000 1.537 250 A CA 0.130 52.180 52.037 0.021 0.000 0.972 250 A CB 0.015 19.031 19.000 0.026 0.000 1.019 250 A HN 0.181 nan 8.150 nan 0.000 0.488 251 E N 0.586 120.796 120.200 0.017 0.000 2.118 251 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 251 E C 1.949 178.557 176.600 0.015 0.000 0.992 251 E CA 1.226 57.634 56.400 0.013 0.000 0.804 251 E CB -0.150 29.554 29.700 0.006 0.000 0.741 251 E HN 0.547 nan 8.360 nan 0.000 0.458 252 A N 0.740 123.568 122.820 0.013 0.000 2.015 252 A HA -0.104 4.215 4.320 -0.000 0.000 0.219 252 A C 2.060 179.654 177.584 0.016 0.000 1.163 252 A CA 1.032 53.076 52.037 0.012 0.000 0.646 252 A CB -0.168 18.837 19.000 0.009 0.000 0.806 252 A HN 0.142 nan 8.150 nan 0.000 0.448 253 R N -1.118 119.393 120.500 0.019 0.000 2.175 253 R HA 0.264 4.604 4.340 -0.000 0.000 0.202 253 R C 1.755 178.074 176.300 0.032 0.000 1.018 253 R CA 0.397 56.509 56.100 0.019 0.000 1.029 253 R CB -0.235 30.073 30.300 0.013 0.000 0.959 253 R HN 0.440 nan 8.270 nan 0.000 0.480 254 L N 0.331 121.583 121.223 0.048 0.000 2.201 254 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 254 L C 2.479 179.430 176.870 0.136 0.000 1.105 254 L CA 0.868 55.767 54.840 0.098 0.000 0.775 254 L CB -0.259 41.858 42.059 0.096 0.000 0.913 254 L HN 0.154 nan 8.230 nan 0.000 0.440 255 S N -0.363 115.380 115.700 0.072 0.000 2.383 255 S HA -0.164 4.306 4.470 -0.000 0.000 0.227 255 S C 1.506 176.147 174.600 0.068 0.000 1.026 255 S CA 1.367 59.603 58.200 0.059 0.000 0.981 255 S CB -0.064 63.151 63.200 0.025 0.000 0.818 255 S HN 0.404 nan 8.310 nan 0.000 0.472 256 D N 0.824 121.253 120.400 0.049 0.000 2.333 256 D HA 0.262 4.902 4.640 -0.000 0.000 0.208 256 D C 1.912 178.225 176.300 0.022 0.000 0.984 256 D CA 0.791 54.810 54.000 0.032 0.000 0.873 256 D CB -0.212 40.598 40.800 0.016 0.000 0.935 256 D HN 0.447 nan 8.370 nan 0.000 0.521 257 A N -0.162 122.672 122.820 0.024 0.000 1.929 257 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 257 A C 1.468 178.967 177.584 -0.143 0.000 1.176 257 A CA 0.824 52.823 52.037 -0.063 0.000 0.628 257 A CB -0.680 18.267 19.000 -0.088 0.000 0.816 257 A HN 0.228 nan 8.150 nan 0.000 0.444 258 Y N -1.039 119.232 120.300 -0.049 0.000 2.490 258 Y HA 0.178 4.728 4.550 -0.000 0.000 0.281 258 Y C 2.196 178.079 175.900 -0.030 0.000 1.174 258 Y CA 0.331 58.400 58.100 -0.051 0.000 1.295 258 Y CB 0.032 38.458 38.460 -0.057 0.000 1.062 258 Y HN 0.234 nan 8.280 nan 0.000 0.522 259 R N 0.229 120.777 120.500 0.080 0.000 2.240 259 R HA 0.105 4.445 4.340 -0.000 0.000 0.203 259 R C 0.078 176.392 176.300 0.023 0.000 1.011 259 R CA 0.107 56.237 56.100 0.049 0.000 1.007 259 R CB 0.003 30.323 30.300 0.034 0.000 0.911 259 R HN 0.210 nan 8.270 nan 0.000 0.468 260 I N 1.248 121.816 120.570 -0.002 0.000 2.556 260 I HA -0.067 4.102 4.170 -0.000 0.000 0.284 260 I C 1.806 177.925 176.117 0.002 0.000 1.114 260 I CA -0.035 61.258 61.300 -0.011 0.000 1.418 260 I CB 1.706 39.684 38.000 -0.038 0.000 1.394 260 I HN 0.174 nan 8.210 nan 0.000 0.552 261 T N 0.463 115.025 114.554 0.012 0.000 2.851 261 T HA -0.089 4.261 4.350 -0.000 0.000 0.262 261 T C 0.655 175.373 174.700 0.030 0.000 1.043 261 T CA 0.271 62.385 62.100 0.024 0.000 1.140 261 T CB -0.215 68.666 68.868 0.021 0.000 0.872 261 T HN 0.580 nan 8.240 nan 0.000 0.446 262 D N 0.963 121.378 120.400 0.024 0.000 2.382 262 D HA 0.191 4.831 4.640 -0.000 0.000 0.245 262 D C 1.095 177.428 176.300 0.054 0.000 1.120 262 D CA -0.159 53.862 54.000 0.034 0.000 0.890 262 D CB 1.138 41.953 40.800 0.024 0.000 1.201 262 D HN 0.195 nan 8.370 nan 0.000 0.433 263 K N 1.886 122.337 120.400 0.085 0.000 2.007 263 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 263 K C 1.660 178.379 176.600 0.197 0.000 1.047 263 K CA 0.962 57.348 56.287 0.165 0.000 0.937 263 K CB 0.092 32.683 32.500 0.152 0.000 0.718 263 K HN 0.540 nan 8.250 nan 0.000 0.438 264 Q N 0.281 120.142 119.800 0.102 0.000 2.170 264 Q HA -0.161 4.179 4.340 -0.000 0.000 0.203 264 Q C 1.732 177.778 176.000 0.076 0.000 0.976 264 Q CA 1.524 57.374 55.803 0.079 0.000 0.858 264 Q CB 0.113 28.871 28.738 0.033 0.000 0.907 264 Q HN 0.421 nan 8.270 nan 0.000 0.433 265 E N 0.057 120.287 120.200 0.049 0.000 2.216 265 E HA -0.128 4.221 4.350 -0.000 0.000 0.192 265 E C 1.923 178.520 176.600 -0.005 0.000 0.988 265 E CA 0.327 56.739 56.400 0.020 0.000 0.834 265 E CB 0.071 29.776 29.700 0.007 0.000 0.772 265 E HN 0.175 nan 8.360 nan 0.000 0.479 266 R N -0.048 120.445 120.500 -0.012 0.000 2.062 266 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 266 R C 1.742 177.934 176.300 -0.181 0.000 1.125 266 R CA 1.016 57.033 56.100 -0.138 0.000 0.966 266 R CB -0.093 30.086 30.300 -0.202 0.000 0.861 266 R HN 0.158 nan 8.270 nan 0.000 0.433 267 Y N 0.142 120.381 120.300 -0.103 0.000 2.352 267 Y HA -0.077 4.473 4.550 -0.000 0.000 0.292 267 Y C 2.277 178.144 175.900 -0.055 0.000 1.136 267 Y CA 1.275 59.329 58.100 -0.077 0.000 1.227 267 Y CB -0.037 38.400 38.460 -0.038 0.000 0.991 267 Y HN 0.269 nan 8.280 nan 0.000 0.545 268 A N -0.679 122.196 122.820 0.092 0.000 1.968 268 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 268 A C 2.038 179.624 177.584 0.002 0.000 1.169 268 A CA 1.580 53.644 52.037 0.044 0.000 0.638 268 A CB -0.458 18.562 19.000 0.034 0.000 0.812 268 A HN 0.409 nan 8.150 nan 0.000 0.446 269 Q N -0.536 119.244 119.800 -0.033 0.000 2.062 269 Q HA -0.029 4.311 4.340 -0.000 0.000 0.196 269 Q C 1.873 177.829 176.000 -0.073 0.000 0.967 269 Q CA 1.815 57.586 55.803 -0.054 0.000 0.832 269 Q CB -0.568 28.127 28.738 -0.072 0.000 0.899 269 Q HN 0.272 nan 8.270 nan 0.000 0.442 270 V N 0.898 120.729 119.914 -0.138 0.000 2.594 270 V HA -0.214 3.905 4.120 -0.000 0.000 0.253 270 V C 1.464 177.525 176.094 -0.055 0.000 1.069 270 V CA 2.402 64.613 62.300 -0.148 0.000 1.082 270 V CB -0.349 31.280 31.823 -0.324 0.000 0.680 270 V HN 0.524 nan 8.190 nan 0.000 0.469 271 D N -1.142 119.242 120.400 -0.025 0.000 2.183 271 D HA -0.100 4.540 4.640 -0.000 0.000 0.203 271 D C 2.008 178.316 176.300 0.012 0.000 0.969 271 D CA 1.276 55.285 54.000 0.014 0.000 0.842 271 D CB 0.108 40.931 40.800 0.040 0.000 0.957 271 D HN 0.335 nan 8.370 nan 0.000 0.484 272 V N 0.233 120.148 119.914 0.002 0.000 2.307 272 V HA -0.191 3.928 4.120 -0.000 0.000 0.245 272 V C 2.349 178.447 176.094 0.006 0.000 1.045 272 V CA 1.151 63.453 62.300 0.004 0.000 1.024 272 V CB -0.344 31.478 31.823 -0.001 0.000 0.651 272 V HN 0.203 nan 8.190 nan 0.000 0.449 273 I N -0.195 120.375 120.570 0.001 0.000 2.208 273 I HA -0.248 3.921 4.170 -0.000 0.000 0.245 273 I C 2.447 178.575 176.117 0.018 0.000 1.097 273 I CA 1.757 63.062 61.300 0.008 0.000 1.363 273 I CB -0.475 37.529 38.000 0.007 0.000 1.051 273 I HN 0.201 nan 8.210 nan 0.000 0.413 274 K N -0.117 120.296 120.400 0.022 0.000 2.057 274 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 274 K C 2.258 178.876 176.600 0.030 0.000 1.049 274 K CA 1.728 58.035 56.287 0.033 0.000 0.931 274 K CB -0.195 32.331 32.500 0.043 0.000 0.714 274 K HN 0.233 nan 8.250 nan 0.000 0.440 275 S N 0.961 116.676 115.700 0.025 0.000 2.395 275 S HA -0.077 4.393 4.470 -0.000 0.000 0.225 275 S C 1.674 176.286 174.600 0.019 0.000 1.027 275 S CA 0.960 59.174 58.200 0.023 0.000 0.965 275 S CB -0.013 63.200 63.200 0.021 0.000 0.812 275 S HN 0.317 nan 8.310 nan 0.000 0.482 276 E N 0.769 120.979 120.200 0.017 0.000 2.107 276 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 276 E C 1.954 178.563 176.600 0.015 0.000 0.982 276 E CA 1.304 57.713 56.400 0.014 0.000 0.809 276 E CB -0.184 29.523 29.700 0.011 0.000 0.756 276 E HN 0.397 nan 8.360 nan 0.000 0.459 277 T N 1.381 115.946 114.554 0.018 0.000 2.777 277 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 277 T C 1.998 176.710 174.700 0.020 0.000 1.040 277 T CA 0.745 62.857 62.100 0.019 0.000 1.141 277 T CB -0.115 68.766 68.868 0.022 0.000 0.868 277 T HN 0.088 nan 8.240 nan 0.000 0.444 278 I N 1.425 122.009 120.570 0.022 0.000 2.252 278 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 278 I C 2.907 179.035 176.117 0.019 0.000 1.102 278 I CA 0.994 62.308 61.300 0.022 0.000 1.385 278 I CB -0.421 37.594 38.000 0.026 0.000 1.064 278 I HN 0.194 nan 8.210 nan 0.000 0.414 279 A N 0.290 123.120 122.820 0.017 0.000 1.972 279 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 279 A C 2.344 179.935 177.584 0.013 0.000 1.169 279 A CA 2.304 54.350 52.037 0.014 0.000 0.635 279 A CB -0.922 18.086 19.000 0.014 0.000 0.810 279 A HN 0.406 nan 8.150 nan 0.000 0.446 280 T N 0.050 114.612 114.554 0.013 0.000 2.896 280 T HA 0.034 4.384 4.350 -0.000 0.000 0.263 280 T C 1.776 176.483 174.700 0.011 0.000 1.050 280 T CA 1.206 63.313 62.100 0.011 0.000 1.140 280 T CB -0.261 68.614 68.868 0.011 0.000 0.877 280 T HN 0.334 nan 8.240 nan 0.000 0.457 281 L N 0.337 121.568 121.223 0.013 0.000 2.109 281 L HA 0.092 4.432 4.340 -0.000 0.000 0.207 281 L C 2.355 179.232 176.870 0.012 0.000 1.086 281 L CA 0.861 55.709 54.840 0.013 0.000 0.760 281 L CB -0.434 41.634 42.059 0.015 0.000 0.910 281 L HN 0.219 nan 8.230 nan 0.000 0.437 282 L N -0.741 120.490 121.223 0.013 0.000 2.156 282 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 282 L C 2.758 179.634 176.870 0.010 0.000 1.095 282 L CA 0.905 55.752 54.840 0.012 0.000 0.770 282 L CB -0.557 41.510 42.059 0.013 0.000 0.914 282 L HN 0.231 nan 8.230 nan 0.000 0.439 283 A N -0.201 122.624 122.820 0.010 0.000 1.968 283 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 283 A C 2.136 179.724 177.584 0.007 0.000 1.169 283 A CA 1.292 53.334 52.037 0.008 0.000 0.638 283 A CB -0.237 18.768 19.000 0.008 0.000 0.812 283 A HN 0.423 nan 8.150 nan 0.000 0.446 284 E N -0.931 119.274 120.200 0.008 0.000 2.076 284 E HA -0.055 4.295 4.350 -0.000 0.000 0.190 284 E C -0.298 176.306 176.600 0.007 0.000 0.979 284 E CA 0.898 57.302 56.400 0.007 0.000 0.807 284 E CB 0.133 29.837 29.700 0.007 0.000 0.761 284 E HN 0.492 nan 8.360 nan 0.000 0.454 285 D N -0.710 119.694 120.400 0.007 0.000 2.736 285 D HA 0.098 4.738 4.640 -0.000 0.000 0.243 285 D C -0.403 175.902 176.300 0.008 0.000 1.304 285 D CA -0.163 53.841 54.000 0.007 0.000 0.934 285 D CB 1.262 42.066 40.800 0.007 0.000 1.382 285 D HN -0.158 nan 8.370 nan 0.000 0.571 286 E N 0.821 121.025 120.200 0.007 0.000 2.435 286 E HA -0.025 4.325 4.350 -0.000 0.000 0.195 286 E C 1.284 177.888 176.600 0.007 0.000 1.029 286 E CA 0.633 57.037 56.400 0.007 0.000 0.865 286 E CB 0.362 30.066 29.700 0.007 0.000 0.833 286 E HN 0.577 nan 8.360 nan 0.000 0.510 287 T N -0.970 113.588 114.554 0.006 0.000 3.148 287 T HA 0.101 4.451 4.350 -0.000 0.000 0.253 287 T C 0.878 175.581 174.700 0.006 0.000 1.134 287 T CA -0.058 62.045 62.100 0.005 0.000 1.051 287 T CB -0.141 68.729 68.868 0.004 0.000 0.959 287 T HN -0.072 nan 8.240 nan 0.000 0.525 288 L N 1.800 123.028 121.223 0.008 0.000 2.452 288 L HA 0.391 4.731 4.340 -0.000 0.000 0.267 288 L C 0.486 177.364 176.870 0.012 0.000 1.188 288 L CA -0.623 54.224 54.840 0.010 0.000 0.821 288 L CB 0.322 42.388 42.059 0.012 0.000 1.102 288 L HN 0.124 nan 8.230 nan 0.000 0.470 289 D N 0.275 120.683 120.400 0.013 0.000 2.255 289 D HA 0.039 4.678 4.640 -0.000 0.000 0.249 289 D C 0.631 176.944 176.300 0.021 0.000 1.078 289 D CA -0.205 53.804 54.000 0.016 0.000 0.896 289 D CB 1.524 42.333 40.800 0.015 0.000 1.194 289 D HN 0.502 nan 8.370 nan 0.000 0.429 290 E N 1.927 122.141 120.200 0.023 0.000 2.072 290 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 290 E C 1.064 177.685 176.600 0.035 0.000 0.982 290 E CA 1.284 57.701 56.400 0.028 0.000 0.803 290 E CB 0.049 29.766 29.700 0.028 0.000 0.755 290 E HN 0.418 nan 8.360 nan 0.000 0.453 291 N N 0.492 119.214 118.700 0.036 0.000 2.270 291 N HA -0.124 4.616 4.740 -0.000 0.000 0.181 291 N C 1.568 177.104 175.510 0.044 0.000 1.016 291 N CA 0.879 53.955 53.050 0.043 0.000 0.870 291 N CB -0.130 38.385 38.487 0.046 0.000 0.979 291 N HN 0.364 nan 8.380 nan 0.000 0.431 292 E N 0.927 121.149 120.200 0.037 0.000 2.106 292 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 292 E C 1.858 178.482 176.600 0.041 0.000 0.984 292 E CA 0.529 56.951 56.400 0.037 0.000 0.806 292 E CB 0.071 29.788 29.700 0.027 0.000 0.750 292 E HN 0.254 nan 8.360 nan 0.000 0.458 293 L N -0.262 120.984 121.223 0.039 0.000 2.141 293 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 293 L C 2.538 179.440 176.870 0.054 0.000 1.094 293 L CA 1.018 55.883 54.840 0.041 0.000 0.763 293 L CB -0.401 41.679 42.059 0.035 0.000 0.908 293 L HN 0.250 nan 8.230 nan 0.000 0.437 294 G N -0.498 108.337 108.800 0.057 0.000 2.422 294 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 294 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 294 G C 1.433 176.390 174.900 0.094 0.000 1.140 294 G CA 0.293 45.436 45.100 0.072 0.000 0.775 294 G HN 0.400 nan 8.290 nan 0.000 0.545 295 E N -0.092 120.156 120.200 0.081 0.000 2.152 295 E HA 0.006 4.356 4.350 -0.000 0.000 0.192 295 E C 2.400 179.069 176.600 0.114 0.000 0.983 295 E CA 0.359 56.817 56.400 0.096 0.000 0.818 295 E CB -0.048 29.696 29.700 0.073 0.000 0.758 295 E HN 0.490 nan 8.360 nan 0.000 0.467 296 I N 0.819 121.440 120.570 0.084 0.000 2.286 296 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 296 I C 2.239 178.399 176.117 0.072 0.000 1.104 296 I CA 0.818 62.159 61.300 0.068 0.000 1.397 296 I CB -0.118 37.910 38.000 0.047 0.000 1.072 296 I HN 0.071 nan 8.210 nan 0.000 0.417 297 L N -0.054 121.219 121.223 0.083 0.000 2.083 297 L HA -0.261 4.079 4.340 -0.000 0.000 0.209 297 L C 2.674 179.603 176.870 0.099 0.000 1.083 297 L CA 1.533 56.422 54.840 0.081 0.000 0.752 297 L CB -0.695 41.415 42.059 0.084 0.000 0.899 297 L HN 0.317 nan 8.230 nan 0.000 0.433 298 H N -0.494 118.601 119.070 0.041 0.000 2.428 298 H HA -0.040 4.516 4.556 -0.000 0.000 0.296 298 H C 2.111 177.453 175.328 0.023 0.000 1.062 298 H CA 1.135 57.207 56.048 0.040 0.000 1.350 298 H CB 0.227 30.019 29.762 0.051 0.000 1.403 298 H HN 0.285 nan 8.280 nan 0.000 0.533 299 A N 0.298 123.171 122.820 0.088 0.000 1.969 299 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 299 A C 2.324 179.885 177.584 -0.038 0.000 1.169 299 A CA 1.408 53.463 52.037 0.030 0.000 0.635 299 A CB -0.562 18.473 19.000 0.059 0.000 0.810 299 A HN 0.492 nan 8.150 nan 0.000 0.445 300 I N -0.539 120.012 120.570 -0.031 0.000 2.286 300 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 300 I C 2.360 178.409 176.117 -0.114 0.000 1.104 300 I CA 1.306 62.577 61.300 -0.049 0.000 1.397 300 I CB -0.442 37.550 38.000 -0.013 0.000 1.072 300 I HN 0.359 nan 8.210 nan 0.000 0.417 301 E N 0.930 121.043 120.200 -0.146 0.000 2.153 301 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 301 E C 2.106 178.457 176.600 -0.415 0.000 0.988 301 E CA 1.103 57.337 56.400 -0.277 0.000 0.811 301 E CB -0.070 29.523 29.700 -0.178 0.000 0.746 301 E HN 0.378 nan 8.360 nan 0.000 0.466 302 K N 0.885 121.080 120.400 -0.341 0.000 2.062 302 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 302 K C 1.988 178.477 176.600 -0.185 0.000 1.051 302 K CA 1.285 57.413 56.287 -0.266 0.000 0.941 302 K CB 0.050 32.436 32.500 -0.189 0.000 0.719 302 K HN -0.070 nan 8.250 nan 0.000 0.440 303 N N 0.153 118.766 118.700 -0.145 0.000 2.216 303 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 303 N C 1.531 176.972 175.510 -0.116 0.000 1.017 303 N CA 0.933 53.923 53.050 -0.101 0.000 0.861 303 N CB 0.075 38.523 38.487 -0.066 0.000 0.986 303 N HN -0.012 nan 8.380 nan 0.000 0.428 304 V N -0.294 119.526 119.914 -0.157 0.000 2.358 304 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 304 V C 2.214 178.203 176.094 -0.175 0.000 1.047 304 V CA 1.256 63.465 62.300 -0.152 0.000 1.035 304 V CB -0.381 31.346 31.823 -0.159 0.000 0.658 304 V HN 0.151 nan 8.190 nan 0.000 0.452 305 V N 0.174 119.928 119.914 -0.267 0.000 2.323 305 V HA -0.215 3.905 4.120 -0.000 0.000 0.244 305 V C 3.048 179.069 176.094 -0.122 0.000 1.041 305 V CA 2.497 64.662 62.300 -0.224 0.000 1.025 305 V CB -1.090 30.548 31.823 -0.307 0.000 0.656 305 V HN 0.596 nan 8.190 nan 0.000 0.451 306 R N 0.840 121.273 120.500 -0.111 0.000 2.115 306 R HA -0.175 4.165 4.340 -0.000 0.000 0.230 306 R C 2.468 178.736 176.300 -0.053 0.000 1.111 306 R CA 1.971 58.031 56.100 -0.067 0.000 0.976 306 R CB -1.612 28.654 30.300 -0.057 0.000 0.870 306 R HN 0.789 nan 8.270 nan 0.000 0.445 307 S N 0.153 115.818 115.700 -0.059 0.000 2.406 307 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 307 S C 2.187 176.763 174.600 -0.040 0.000 1.020 307 S CA 1.070 59.243 58.200 -0.045 0.000 0.965 307 S CB -0.192 62.981 63.200 -0.044 0.000 0.798 307 S HN 0.676 nan 8.310 nan 0.000 0.488 308 R N 0.553 121.026 120.500 -0.044 0.000 2.090 308 R HA 0.107 4.447 4.340 -0.000 0.000 0.228 308 R C 2.263 178.545 176.300 -0.030 0.000 1.110 308 R CA 1.241 57.321 56.100 -0.033 0.000 0.973 308 R CB -0.584 29.698 30.300 -0.030 0.000 0.869 308 R HN 0.343 nan 8.270 nan 0.000 0.440 309 V N 1.260 121.155 119.914 -0.032 0.000 2.427 309 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 309 V C 2.216 178.290 176.094 -0.035 0.000 1.051 309 V CA 1.259 63.542 62.300 -0.028 0.000 1.048 309 V CB -0.325 31.484 31.823 -0.022 0.000 0.666 309 V HN 0.260 nan 8.190 nan 0.000 0.456 310 L N 0.109 121.310 121.223 -0.036 0.000 2.109 310 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 310 L C 2.636 179.478 176.870 -0.046 0.000 1.086 310 L CA 2.241 57.056 54.840 -0.042 0.000 0.760 310 L CB -1.604 40.435 42.059 -0.034 0.000 0.910 310 L HN 0.389 nan 8.230 nan 0.000 0.437 311 A N -1.089 121.708 122.820 -0.038 0.000 1.929 311 A HA 0.214 4.534 4.320 -0.000 0.000 0.216 311 A C 1.782 179.344 177.584 -0.037 0.000 1.176 311 A CA 1.515 53.531 52.037 -0.036 0.000 0.628 311 A CB -0.272 18.710 19.000 -0.029 0.000 0.816 311 A HN 0.515 nan 8.150 nan 0.000 0.444 312 G N -1.187 107.592 108.800 -0.035 0.000 2.198 312 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.156 312 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.156 312 G C -0.230 174.656 174.900 -0.024 0.000 1.012 312 G CA 0.060 45.140 45.100 -0.033 0.000 0.692 312 G HN 0.510 nan 8.290 nan 0.000 0.492 313 E N 1.818 122.006 120.200 -0.021 0.000 2.390 313 E HA 0.375 4.725 4.350 -0.000 0.000 0.261 313 E C -1.844 174.750 176.600 -0.010 0.000 1.076 313 E CA -1.363 55.028 56.400 -0.014 0.000 0.905 313 E CB 0.961 30.653 29.700 -0.013 0.000 0.984 313 E HN 0.204 nan 8.360 nan 0.000 0.427 314 P HA -0.017 nan 4.420 nan 0.000 0.268 314 P C -0.431 176.873 177.300 0.008 0.000 1.208 314 P CA 0.301 63.402 63.100 0.001 0.000 0.777 314 P CB 0.685 32.387 31.700 0.004 0.000 0.875 315 R N 0.899 121.406 120.500 0.013 0.000 2.747 315 R HA 0.142 4.482 4.340 -0.000 0.000 0.278 315 R C 1.882 178.205 176.300 0.038 0.000 1.153 315 R CA -0.581 55.533 56.100 0.023 0.000 1.206 315 R CB -0.238 30.078 30.300 0.026 0.000 1.161 315 R HN 0.304 nan 8.270 nan 0.000 0.589 316 I N 0.987 121.592 120.570 0.058 0.000 2.163 316 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 316 I C 1.795 177.949 176.117 0.060 0.000 1.085 316 I CA 1.757 63.106 61.300 0.083 0.000 1.347 316 I CB -0.398 37.681 38.000 0.131 0.000 1.044 316 I HN 0.682 nan 8.210 nan 0.000 0.408 317 D N 0.210 120.643 120.400 0.054 0.000 2.340 317 D HA 0.094 4.734 4.640 -0.000 0.000 0.220 317 D C 1.242 177.561 176.300 0.030 0.000 1.039 317 D CA 0.695 54.720 54.000 0.042 0.000 0.866 317 D CB -0.143 40.685 40.800 0.047 0.000 0.913 317 D HN 0.353 nan 8.370 nan 0.000 0.523 318 G N 0.806 109.623 108.800 0.027 0.000 2.452 318 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.275 318 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.275 318 G C -0.287 174.621 174.900 0.014 0.000 1.131 318 G CA -0.372 44.739 45.100 0.018 0.000 1.031 318 G HN 0.406 nan 8.290 nan 0.000 0.511 319 R N -0.570 119.938 120.500 0.014 0.000 2.854 319 R HA 0.574 4.914 4.340 -0.000 0.000 0.271 319 R C -0.133 176.168 176.300 0.002 0.000 0.994 319 R CA -1.053 55.051 56.100 0.007 0.000 0.945 319 R CB 1.358 31.665 30.300 0.011 0.000 1.194 319 R HN 0.250 nan 8.270 nan 0.000 0.476 320 E N 1.428 121.625 120.200 -0.005 0.000 2.359 320 E HA 0.037 4.387 4.350 -0.000 0.000 0.255 320 E C 0.678 177.273 176.600 -0.008 0.000 1.191 320 E CA -0.143 56.252 56.400 -0.010 0.000 0.952 320 E CB 0.695 30.386 29.700 -0.015 0.000 1.152 320 E HN 0.532 nan 8.360 nan 0.000 0.496 321 K N 0.279 120.671 120.400 -0.013 0.000 2.209 321 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 321 K C 0.587 177.184 176.600 -0.004 0.000 1.048 321 K CA 1.901 58.182 56.287 -0.011 0.000 0.940 321 K CB 0.058 32.545 32.500 -0.022 0.000 0.729 321 K HN 0.283 nan 8.250 nan 0.000 0.451 322 D N -0.070 120.324 120.400 -0.011 0.000 2.479 322 D HA 0.038 4.678 4.640 -0.000 0.000 0.221 322 D C 0.644 176.927 176.300 -0.028 0.000 1.104 322 D CA -0.168 53.825 54.000 -0.012 0.000 0.849 322 D CB -0.169 40.623 40.800 -0.013 0.000 1.072 322 D HN 0.110 nan 8.370 nan 0.000 0.502 323 M N 1.421 121.002 119.600 -0.033 0.000 2.238 323 M HA 0.219 4.699 4.480 -0.000 0.000 0.350 323 M C 0.406 176.683 176.300 -0.039 0.000 1.321 323 M CA 0.028 55.297 55.300 -0.053 0.000 1.097 323 M CB 0.962 33.540 32.600 -0.037 0.000 1.713 323 M HN 0.102 nan 8.290 nan 0.000 0.455 324 I N -0.987 119.543 120.570 -0.067 0.000 2.863 324 I HA 0.804 4.974 4.170 -0.000 0.000 0.311 324 I C 0.334 176.451 176.117 -0.000 0.000 1.026 324 I CA -1.161 60.128 61.300 -0.019 0.000 1.077 324 I CB 1.309 39.310 38.000 0.001 0.000 1.262 324 I HN 0.706 nan 8.210 nan 0.000 0.461 325 R N 2.546 123.066 120.500 0.033 0.000 2.726 325 R HA 0.566 4.906 4.340 -0.000 0.000 0.272 325 R C 0.523 176.849 176.300 0.044 0.000 1.097 325 R CA 0.043 56.163 56.100 0.034 0.000 1.198 325 R CB -0.784 29.537 30.300 0.035 0.000 1.114 325 R HN 1.125 nan 8.270 nan 0.000 0.550 326 G N -0.072 108.744 108.800 0.026 0.000 2.441 326 G HA2 0.464 4.424 3.960 -0.000 0.000 0.243 326 G HA3 0.464 4.424 3.960 -0.000 0.000 0.243 326 G C -0.250 174.639 174.900 -0.019 0.000 1.281 326 G CA -0.396 44.718 45.100 0.022 0.000 0.854 326 G HN 0.563 nan 8.290 nan 0.000 0.560 327 L N 1.558 122.770 121.223 -0.018 0.000 2.329 327 L HA 0.425 4.765 4.340 -0.000 0.000 0.279 327 L C -0.711 176.081 176.870 -0.131 0.000 1.014 327 L CA -0.895 53.881 54.840 -0.107 0.000 0.814 327 L CB 2.223 44.278 42.059 -0.007 0.000 1.257 327 L HN 0.403 nan 8.230 nan 0.000 0.424 328 D N 2.440 122.691 120.400 -0.248 0.000 2.505 328 D HA 0.396 5.036 4.640 -0.000 0.000 0.250 328 D C -1.285 174.922 176.300 -0.154 0.000 1.164 328 D CA -0.238 53.665 54.000 -0.162 0.000 0.870 328 D CB 2.026 42.744 40.800 -0.137 0.000 1.160 328 D HN 0.066 nan 8.370 nan 0.000 0.549 329 V N 5.424 125.323 119.914 -0.026 0.000 2.347 329 V HA 0.541 4.661 4.120 -0.000 0.000 0.280 329 V C 0.250 176.377 176.094 0.055 0.000 1.021 329 V CA -0.574 61.774 62.300 0.079 0.000 0.847 329 V CB 1.296 33.197 31.823 0.130 0.000 0.990 329 V HN 0.395 nan 8.190 nan 0.000 0.444 330 R N 2.685 123.227 120.500 0.071 0.000 2.575 330 R HA 0.708 5.048 4.340 -0.000 0.000 0.293 330 R C -1.011 175.323 176.300 0.056 0.000 0.983 330 R CA -0.603 55.525 56.100 0.047 0.000 0.887 330 R CB 2.467 32.785 30.300 0.029 0.000 1.184 330 R HN 0.655 nan 8.270 nan 0.000 0.445 331 T N 0.536 115.114 114.554 0.040 0.000 2.812 331 T HA 0.483 4.833 4.350 -0.000 0.000 0.282 331 T C 0.440 175.154 174.700 0.024 0.000 0.990 331 T CA -0.327 61.794 62.100 0.035 0.000 0.960 331 T CB 1.731 70.617 68.868 0.030 0.000 0.948 331 T HN 0.848 nan 8.240 nan 0.000 0.438 332 G N 1.543 110.356 108.800 0.022 0.000 2.303 332 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 332 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 332 G C 0.732 175.638 174.900 0.010 0.000 1.106 332 G CA 0.064 45.173 45.100 0.014 0.000 0.900 332 G HN 0.752 nan 8.290 nan 0.000 0.495 333 V N -0.532 119.390 119.914 0.013 0.000 3.041 333 V HA 0.345 4.465 4.120 -0.000 0.000 0.260 333 V C 1.252 177.346 176.094 0.001 0.000 1.105 333 V CA 1.747 64.052 62.300 0.009 0.000 1.125 333 V CB -0.172 31.660 31.823 0.015 0.000 0.730 333 V HN 0.461 nan 8.190 nan 0.000 0.479 334 L N 0.678 121.900 121.223 -0.002 0.000 2.346 334 L HA 0.464 4.804 4.340 -0.000 0.000 0.274 334 L C -1.367 175.493 176.870 -0.017 0.000 1.007 334 L CA -1.448 53.385 54.840 -0.012 0.000 0.818 334 L CB 1.565 43.615 42.059 -0.015 0.000 1.284 334 L HN -0.040 nan 8.230 nan 0.000 0.424 335 P HA 0.034 nan 4.420 nan 0.000 0.224 335 P C 0.525 177.803 177.300 -0.036 0.000 1.159 335 P CA 0.404 63.490 63.100 -0.024 0.000 0.824 335 P CB 0.418 32.106 31.700 -0.021 0.000 0.833 336 R N 0.091 120.562 120.500 -0.048 0.000 3.301 336 R HA 0.513 4.853 4.340 -0.000 0.000 0.286 336 R C -0.772 175.461 176.300 -0.111 0.000 1.386 336 R CA -0.031 56.026 56.100 -0.071 0.000 1.607 336 R CB -0.689 29.576 30.300 -0.058 0.000 1.305 336 R HN -0.015 nan 8.270 nan 0.000 0.637 337 T N -1.860 112.615 114.554 -0.132 0.000 2.769 337 T HA 0.207 4.557 4.350 -0.000 0.000 0.306 337 T C 0.378 174.965 174.700 -0.188 0.000 1.400 337 T CA -0.565 61.414 62.100 -0.201 0.000 1.007 337 T CB 0.765 69.575 68.868 -0.098 0.000 1.392 337 T HN 0.536 nan 8.240 nan 0.000 0.500 338 H N 1.081 120.152 119.070 0.002 0.000 2.268 338 H HA 0.321 4.877 4.556 -0.000 0.000 0.304 338 H C 1.372 176.701 175.328 0.002 0.000 1.064 338 H CA 1.103 57.153 56.048 0.002 0.000 1.316 338 H CB -0.041 29.726 29.762 0.008 0.000 1.386 338 H HN 0.591 nan 8.280 nan 0.000 0.496 339 G N -0.578 108.306 108.800 0.139 0.000 2.415 339 G HA2 0.450 4.410 3.960 -0.000 0.000 0.327 339 G HA3 0.450 4.410 3.960 -0.000 0.000 0.327 339 G C -1.095 173.831 174.900 0.042 0.000 1.182 339 G CA -0.452 44.693 45.100 0.074 0.000 0.924 339 G HN 0.269 nan 8.290 nan 0.000 0.470 340 S N -0.017 115.702 115.700 0.032 0.000 2.619 340 S HA 0.804 5.274 4.470 -0.000 0.000 0.280 340 S C -0.491 174.129 174.600 0.034 0.000 1.150 340 S CA -0.113 58.102 58.200 0.025 0.000 0.978 340 S CB 1.200 64.409 63.200 0.014 0.000 1.041 340 S HN 1.681 nan 8.310 nan 0.000 0.485 341 A N 3.313 126.159 122.820 0.042 0.000 2.520 341 A HA 0.816 5.136 4.320 -0.000 0.000 0.298 341 A C -1.870 175.762 177.584 0.080 0.000 1.051 341 A CA -0.589 51.486 52.037 0.064 0.000 0.690 341 A CB 1.696 20.740 19.000 0.073 0.000 1.281 341 A HN 1.057 nan 8.150 nan 0.000 0.402 342 L N 2.045 123.328 121.223 0.099 0.000 2.471 342 L HA 0.722 5.061 4.340 -0.000 0.000 0.263 342 L C -1.749 175.214 176.870 0.154 0.000 0.985 342 L CA -0.308 54.593 54.840 0.103 0.000 0.868 342 L CB 0.836 42.926 42.059 0.053 0.000 1.203 342 L HN 0.638 nan 8.230 nan 0.000 0.429 343 F N 3.625 123.593 119.950 0.030 0.000 2.436 343 F HA 0.796 5.323 4.527 0.000 0.000 0.340 343 F C -0.273 175.547 175.800 0.035 0.000 1.113 343 F CA 0.003 58.024 58.000 0.035 0.000 1.022 343 F CB 1.677 40.705 39.000 0.047 0.000 1.128 343 F HN 0.499 nan 8.300 nan 0.000 0.466 344 T N 6.424 120.560 114.554 -0.696 0.000 2.881 344 T HA 0.485 4.835 4.350 -0.000 0.000 0.290 344 T C -0.424 173.845 174.700 -0.718 0.000 1.000 344 T CA -0.735 61.080 62.100 -0.476 0.000 0.978 344 T CB 2.235 70.968 68.868 -0.225 0.000 0.997 344 T HN 0.793 nan 8.240 nan 0.000 0.443 345 R N 1.000 121.274 120.500 -0.377 0.000 3.412 345 R HA 0.691 5.031 4.340 -0.000 0.000 0.216 345 R C 1.994 178.244 176.300 -0.084 0.000 1.677 345 R CA -0.000 55.974 56.100 -0.209 0.000 0.931 345 R CB -0.369 29.935 30.300 0.007 0.000 2.019 345 R HN 0.658 nan 8.270 nan 0.000 0.537 346 G N 0.187 108.983 108.800 -0.008 0.000 2.721 346 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 346 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 346 G C -0.090 174.811 174.900 0.002 0.000 1.265 346 G CA 1.365 46.470 45.100 0.008 0.000 0.796 346 G HN 0.630 nan 8.290 nan 0.000 0.620 347 E N -0.264 119.946 120.200 0.017 0.000 4.230 347 E HA 0.292 4.642 4.350 -0.000 0.000 0.218 347 E C -1.087 175.528 176.600 0.025 0.000 1.140 347 E CA -0.214 56.194 56.400 0.014 0.000 1.405 347 E CB 0.982 30.698 29.700 0.028 0.000 1.193 347 E HN 0.337 nan 8.360 nan 0.000 0.423 348 T N -1.466 113.101 114.554 0.022 0.000 2.879 348 T HA 0.525 4.875 4.350 -0.000 0.000 0.290 348 T C -0.523 174.197 174.700 0.033 0.000 0.993 348 T CA -0.819 61.310 62.100 0.049 0.000 0.975 348 T CB 2.271 71.199 68.868 0.100 0.000 0.981 348 T HN 0.121 nan 8.240 nan 0.000 0.439 349 Q N 1.495 121.319 119.800 0.039 0.000 2.347 349 Q HA 0.682 5.022 4.340 -0.000 0.000 0.271 349 Q C -1.911 174.131 176.000 0.070 0.000 1.064 349 Q CA -0.999 54.829 55.803 0.041 0.000 0.800 349 Q CB 1.966 30.710 28.738 0.010 0.000 1.304 349 Q HN 1.030 nan 8.270 nan 0.000 0.438 350 A N 3.915 126.809 122.820 0.124 0.000 2.357 350 A HA 0.482 4.802 4.320 -0.000 0.000 0.295 350 A C -1.601 176.045 177.584 0.103 0.000 1.121 350 A CA -0.586 51.520 52.037 0.115 0.000 0.742 350 A CB 1.050 20.157 19.000 0.178 0.000 1.181 350 A HN 0.690 nan 8.150 nan 0.000 0.454 351 L N 4.333 125.590 121.223 0.055 0.000 2.356 351 L HA 0.455 4.795 4.340 -0.000 0.000 0.282 351 L C -0.723 176.167 176.870 0.033 0.000 1.132 351 L CA 0.150 55.017 54.840 0.045 0.000 0.923 351 L CB 0.504 42.581 42.059 0.030 0.000 1.278 351 L HN 0.420 nan 8.230 nan 0.000 0.436 352 V N 3.332 123.276 119.914 0.049 0.000 2.439 352 V HA 0.584 4.704 4.120 -0.000 0.000 0.282 352 V C 0.424 176.525 176.094 0.012 0.000 1.039 352 V CA -0.350 61.966 62.300 0.027 0.000 0.913 352 V CB 1.506 33.365 31.823 0.060 0.000 0.983 352 V HN 0.800 nan 8.190 nan 0.000 0.460 353 T N 1.716 116.259 114.554 -0.018 0.000 2.863 353 T HA 0.855 5.205 4.350 -0.000 0.000 0.285 353 T C -0.460 174.236 174.700 -0.006 0.000 1.009 353 T CA -0.644 61.453 62.100 -0.005 0.000 0.989 353 T CB 1.981 70.845 68.868 -0.006 0.000 1.004 353 T HN 0.987 nan 8.240 nan 0.000 0.455 354 A N 2.341 125.183 122.820 0.037 0.000 2.331 354 A HA 0.764 5.083 4.320 -0.000 0.000 0.320 354 A C 0.018 177.681 177.584 0.133 0.000 1.138 354 A CA -0.816 51.261 52.037 0.067 0.000 0.790 354 A CB 0.987 20.030 19.000 0.071 0.000 1.206 354 A HN 0.911 nan 8.150 nan 0.000 0.470 355 T N 2.750 117.385 114.554 0.135 0.000 2.841 355 T HA 0.599 4.949 4.350 -0.000 0.000 0.283 355 T C -0.412 174.333 174.700 0.075 0.000 1.000 355 T CA -0.286 61.943 62.100 0.215 0.000 0.977 355 T CB 1.003 69.975 68.868 0.174 0.000 0.979 355 T HN 0.471 nan 8.240 nan 0.000 0.446 356 L N 1.999 123.123 121.223 -0.166 0.000 2.325 356 L HA 0.877 5.216 4.340 -0.000 0.000 0.278 356 L C 0.654 177.451 176.870 -0.121 0.000 1.023 356 L CA -0.529 54.180 54.840 -0.218 0.000 0.811 356 L CB 1.750 43.535 42.059 -0.458 0.000 1.249 356 L HN 0.893 nan 8.230 nan 0.000 0.431 357 G N -0.118 108.693 108.800 0.019 0.000 2.660 357 G HA2 0.541 4.501 3.960 -0.000 0.000 0.290 357 G HA3 0.541 4.501 3.960 -0.000 0.000 0.290 357 G C -0.842 174.146 174.900 0.148 0.000 1.432 357 G CA -0.359 44.785 45.100 0.074 0.000 0.807 357 G HN 0.533 nan 8.290 nan 0.000 0.485 358 T N -1.874 112.742 114.554 0.102 0.000 2.788 358 T HA 0.527 4.877 4.350 -0.000 0.000 0.280 358 T C 1.776 176.481 174.700 0.008 0.000 0.984 358 T CA 0.602 62.729 62.100 0.046 0.000 0.972 358 T CB 1.396 70.276 68.868 0.021 0.000 1.039 358 T HN 1.457 nan 8.240 nan 0.000 0.530 359 A N -0.124 122.670 122.820 -0.043 0.000 2.225 359 A HA -0.007 4.313 4.320 -0.000 0.000 0.215 359 A C 2.408 179.989 177.584 -0.004 0.000 1.164 359 A CA 0.653 52.673 52.037 -0.028 0.000 0.710 359 A CB -0.803 18.163 19.000 -0.056 0.000 0.780 359 A HN 0.835 nan 8.150 nan 0.000 0.473 360 R N -0.131 120.371 120.500 0.002 0.000 2.148 360 R HA -0.063 4.277 4.340 -0.000 0.000 0.227 360 R C 0.072 176.385 176.300 0.023 0.000 1.103 360 R CA 1.236 57.343 56.100 0.011 0.000 0.983 360 R CB -0.067 30.241 30.300 0.013 0.000 0.874 360 R HN 0.414 nan 8.270 nan 0.000 0.451 361 D N 0.283 120.702 120.400 0.032 0.000 2.427 361 D HA 0.140 4.780 4.640 -0.000 0.000 0.224 361 D C -0.385 175.943 176.300 0.047 0.000 1.157 361 D CA 0.036 54.060 54.000 0.041 0.000 0.828 361 D CB 0.597 41.427 40.800 0.049 0.000 0.974 361 D HN 0.124 nan 8.370 nan 0.000 0.498 362 A N 0.806 123.650 122.820 0.040 0.000 2.401 362 A HA 0.170 4.490 4.320 -0.000 0.000 0.259 362 A C 0.502 178.113 177.584 0.045 0.000 1.103 362 A CA -0.302 51.761 52.037 0.044 0.000 0.789 362 A CB 0.579 19.600 19.000 0.035 0.000 1.035 362 A HN 0.136 nan 8.150 nan 0.000 0.491 363 Q N 1.812 121.642 119.800 0.051 0.000 2.304 363 Q HA 0.416 4.756 4.340 -0.000 0.000 0.260 363 Q C -1.043 174.984 176.000 0.044 0.000 0.965 363 Q CA -0.246 55.588 55.803 0.051 0.000 0.898 363 Q CB 0.614 29.387 28.738 0.058 0.000 1.196 363 Q HN 0.533 nan 8.270 nan 0.000 0.402 364 V N 6.302 126.241 119.914 0.042 0.000 2.383 364 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 364 V C -0.108 176.010 176.094 0.040 0.000 1.036 364 V CA -0.531 61.792 62.300 0.038 0.000 0.889 364 V CB 1.001 32.844 31.823 0.034 0.000 0.985 364 V HN 0.706 nan 8.190 nan 0.000 0.459 365 L N 4.367 125.613 121.223 0.037 0.000 2.313 365 L HA 0.539 4.879 4.340 -0.000 0.000 0.283 365 L C -0.078 176.812 176.870 0.034 0.000 1.013 365 L CA -0.385 54.477 54.840 0.037 0.000 0.816 365 L CB 1.701 43.782 42.059 0.037 0.000 1.236 365 L HN 0.540 nan 8.230 nan 0.000 0.419 366 D N 3.296 123.717 120.400 0.034 0.000 3.139 366 D HA 0.143 4.783 4.640 -0.000 0.000 0.268 366 D C 0.096 176.412 176.300 0.027 0.000 1.322 366 D CA -0.021 53.997 54.000 0.030 0.000 0.940 366 D CB 0.415 41.235 40.800 0.033 0.000 1.050 366 D HN 0.546 nan 8.370 nan 0.000 0.503 367 E N 0.069 120.285 120.200 0.027 0.000 2.374 367 E HA 0.180 4.530 4.350 -0.000 0.000 0.260 367 E C 1.387 177.997 176.600 0.017 0.000 1.101 367 E CA -0.472 55.943 56.400 0.026 0.000 0.907 367 E CB 1.655 31.373 29.700 0.031 0.000 1.014 367 E HN 0.140 nan 8.360 nan 0.000 0.427 368 L N 1.116 122.346 121.223 0.013 0.000 2.291 368 L HA -0.129 4.211 4.340 -0.000 0.000 0.214 368 L C 2.209 179.082 176.870 0.006 0.000 1.120 368 L CA 0.582 55.422 54.840 -0.000 0.000 0.799 368 L CB -0.189 41.861 42.059 -0.015 0.000 0.925 368 L HN 0.614 nan 8.230 nan 0.000 0.446 369 M N -0.536 119.073 119.600 0.015 0.000 2.254 369 M HA 0.103 4.583 4.480 -0.000 0.000 0.265 369 M C 0.925 177.234 176.300 0.014 0.000 1.066 369 M CA 0.918 56.227 55.300 0.015 0.000 1.123 369 M CB -0.525 32.087 32.600 0.020 0.000 1.388 369 M HN 0.298 nan 8.290 nan 0.000 0.425 370 G N 0.243 109.052 108.800 0.016 0.000 2.352 370 G HA2 0.019 3.979 3.960 -0.000 0.000 0.303 370 G HA3 0.019 3.979 3.960 -0.000 0.000 0.303 370 G C -1.384 173.527 174.900 0.019 0.000 1.593 370 G CA -0.882 44.227 45.100 0.016 0.000 0.963 370 G HN 0.198 nan 8.290 nan 0.000 0.685 371 E N 0.540 120.751 120.200 0.018 0.000 2.265 371 E HA 0.436 4.786 4.350 -0.000 0.000 0.272 371 E C 0.656 177.268 176.600 0.021 0.000 1.067 371 E CA -0.254 56.158 56.400 0.020 0.000 0.900 371 E CB 0.311 30.022 29.700 0.019 0.000 1.017 371 E HN 0.613 nan 8.360 nan 0.000 0.431 372 R N 1.488 122.003 120.500 0.025 0.000 2.771 372 R HA 0.474 4.814 4.340 -0.000 0.000 0.274 372 R C -1.077 175.241 176.300 0.030 0.000 0.987 372 R CA -0.934 55.182 56.100 0.026 0.000 0.908 372 R CB 1.317 31.634 30.300 0.028 0.000 1.213 372 R HN 0.349 nan 8.270 nan 0.000 0.468 373 T N -1.174 113.398 114.554 0.030 0.000 2.829 373 T HA 0.247 4.597 4.350 -0.000 0.000 0.282 373 T C -0.555 174.171 174.700 0.044 0.000 0.990 373 T CA -0.797 61.323 62.100 0.034 0.000 1.028 373 T CB 1.510 70.395 68.868 0.028 0.000 0.951 373 T HN 0.569 nan 8.240 nan 0.000 0.460 374 D N 1.195 121.625 120.400 0.049 0.000 2.193 374 D HA 0.408 5.048 4.640 -0.000 0.000 0.244 374 D C 0.760 177.107 176.300 0.078 0.000 1.064 374 D CA -0.524 53.514 54.000 0.063 0.000 0.845 374 D CB 1.890 42.721 40.800 0.051 0.000 1.148 374 D HN 0.575 nan 8.370 nan 0.000 0.464 375 T N 2.612 117.234 114.554 0.113 0.000 2.988 375 T HA 0.072 4.422 4.350 -0.000 0.000 0.240 375 T C 0.473 175.303 174.700 0.216 0.000 1.014 375 T CA 0.065 62.251 62.100 0.143 0.000 1.155 375 T CB -0.111 68.842 68.868 0.141 0.000 0.872 375 T HN 0.378 nan 8.240 nan 0.000 0.440 376 F N 3.108 123.102 119.950 0.073 0.000 2.421 376 F HA 0.563 5.090 4.527 -0.000 0.000 0.358 376 F C -0.966 174.877 175.800 0.071 0.000 1.115 376 F CA -1.961 56.090 58.000 0.085 0.000 1.160 376 F CB 0.052 39.108 39.000 0.093 0.000 1.123 376 F HN -0.012 nan 8.300 nan 0.000 0.508 377 L N 7.523 128.486 121.223 -0.432 0.000 2.341 377 L HA 0.454 4.794 4.340 -0.000 0.000 0.278 377 L C -1.177 175.276 176.870 -0.695 0.000 1.005 377 L CA -0.721 53.837 54.840 -0.470 0.000 0.818 377 L CB 1.822 43.767 42.059 -0.191 0.000 1.259 377 L HN 0.565 nan 8.230 nan 0.000 0.418 378 F N 1.551 121.028 119.950 -0.788 0.000 2.529 378 F HA 0.482 5.009 4.527 -0.000 0.000 0.320 378 F C -0.449 175.033 175.800 -0.531 0.000 1.118 378 F CA -0.357 57.307 58.000 -0.560 0.000 0.915 378 F CB 1.378 40.126 39.000 -0.420 0.000 1.161 378 F HN 0.438 nan 8.300 nan 0.000 0.445 379 H N 4.346 123.424 119.070 0.014 0.000 2.658 379 H HA 0.254 4.810 4.556 -0.000 0.000 0.337 379 H C -1.670 173.794 175.328 0.226 0.000 1.009 379 H CA -0.677 55.446 56.048 0.126 0.000 1.231 379 H CB 1.598 31.368 29.762 0.013 0.000 1.508 379 H HN 0.589 nan 8.280 nan 0.000 0.517 380 Y N 3.136 123.619 120.300 0.305 0.000 2.330 380 Y HA 0.367 4.917 4.550 -0.000 0.000 0.336 380 Y C -0.890 175.135 175.900 0.208 0.000 1.036 380 Y CA -0.707 57.557 58.100 0.274 0.000 1.125 380 Y CB 0.806 39.432 38.460 0.276 0.000 1.194 380 Y HN 0.635 nan 8.280 nan 0.000 0.469 381 N N 6.323 124.872 118.700 -0.251 0.000 2.346 381 N HA 0.219 4.959 4.740 -0.000 0.000 0.289 381 N C -1.954 173.397 175.510 -0.265 0.000 1.027 381 N CA -0.436 52.530 53.050 -0.140 0.000 0.864 381 N CB 1.526 39.964 38.487 -0.082 0.000 1.370 381 N HN 0.643 nan 8.380 nan 0.000 0.481 382 F N 3.760 123.599 119.950 -0.186 0.000 2.451 382 F HA 0.449 4.976 4.527 -0.000 0.000 0.367 382 F C -2.186 173.532 175.800 -0.137 0.000 1.100 382 F CA -1.800 56.113 58.000 -0.144 0.000 1.171 382 F CB 0.900 39.957 39.000 0.095 0.000 1.405 382 F HN 0.270 nan 8.300 nan 0.000 0.482 383 P HA 0.309 nan 4.420 nan 0.000 0.277 383 P C -2.324 174.661 177.300 -0.526 0.000 1.240 383 P CA -1.552 61.289 63.100 -0.432 0.000 0.798 383 P CB 0.609 31.919 31.700 -0.651 0.000 0.979 384 P HA -0.116 nan 4.420 nan 0.000 0.223 384 P C 1.061 178.271 177.300 -0.151 0.000 1.151 384 P CA 1.041 64.059 63.100 -0.136 0.000 0.787 384 P CB -0.476 31.218 31.700 -0.009 0.000 0.788 385 Y N -0.841 119.385 120.300 -0.124 0.000 2.571 385 Y HA 0.013 4.563 4.550 -0.000 0.000 0.294 385 Y C 2.017 177.830 175.900 -0.145 0.000 1.141 385 Y CA 0.698 58.731 58.100 -0.112 0.000 1.308 385 Y CB -1.537 36.869 38.460 -0.090 0.000 1.002 385 Y HN -0.054 nan 8.280 nan 0.000 0.551 386 S N 0.475 115.875 115.700 -0.500 0.000 2.406 386 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 386 S C 1.664 176.122 174.600 -0.236 0.000 1.020 386 S CA 1.010 58.960 58.200 -0.417 0.000 0.965 386 S CB -0.954 61.814 63.200 -0.721 0.000 0.798 386 S HN 0.482 nan 8.310 nan 0.000 0.488 387 V N -2.542 117.247 119.914 -0.208 0.000 3.307 387 V HA 0.649 4.768 4.120 -0.000 0.000 0.253 387 V C 1.470 177.503 176.094 -0.102 0.000 1.149 387 V CA 0.215 62.444 62.300 -0.118 0.000 1.112 387 V CB -0.844 30.949 31.823 -0.051 0.000 0.777 387 V HN 0.870 nan 8.190 nan 0.000 0.464 388 G N 1.100 109.861 108.800 -0.066 0.000 2.237 388 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.153 388 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.153 388 G C -0.247 174.640 174.900 -0.023 0.000 1.039 388 G CA 0.182 45.261 45.100 -0.035 0.000 0.719 388 G HN 1.026 nan 8.290 nan 0.000 0.491 389 E N -1.293 118.899 120.200 -0.012 0.000 2.442 389 E HA 0.771 5.121 4.350 -0.000 0.000 0.271 389 E C -0.241 176.368 176.600 0.014 0.000 1.002 389 E CA -0.496 55.904 56.400 -0.000 0.000 0.864 389 E CB 0.901 30.598 29.700 -0.005 0.000 1.573 389 E HN 0.543 nan 8.360 nan 0.000 0.456 390 T N -1.725 112.839 114.554 0.017 0.000 2.895 390 T HA 0.797 5.147 4.350 -0.000 0.000 0.283 390 T C 0.239 174.953 174.700 0.023 0.000 1.014 390 T CA -0.157 61.957 62.100 0.023 0.000 1.037 390 T CB 1.433 70.313 68.868 0.020 0.000 1.006 390 T HN 0.829 nan 8.240 nan 0.000 0.468 391 G N 1.840 110.658 108.800 0.029 0.000 2.623 391 G HA2 0.506 4.466 3.960 -0.000 0.000 0.290 391 G HA3 0.506 4.466 3.960 -0.000 0.000 0.290 391 G C -1.084 173.836 174.900 0.033 0.000 1.437 391 G CA -1.141 43.977 45.100 0.030 0.000 0.798 391 G HN 0.675 nan 8.290 nan 0.000 0.488 392 M N 1.202 120.821 119.600 0.032 0.000 2.184 392 M HA 0.255 4.735 4.480 -0.000 0.000 0.351 392 M C 0.096 176.418 176.300 0.037 0.000 1.395 392 M CA -0.397 54.922 55.300 0.031 0.000 1.117 392 M CB 0.891 33.507 32.600 0.027 0.000 1.708 392 M HN 0.121 nan 8.290 nan 0.000 0.468 393 V N 4.688 124.623 119.914 0.036 0.000 2.180 393 V HA 0.379 4.499 4.120 -0.000 0.000 0.265 393 V C 0.927 177.040 176.094 0.032 0.000 1.214 393 V CA -0.151 62.171 62.300 0.038 0.000 1.130 393 V CB -0.100 31.748 31.823 0.043 0.000 1.266 393 V HN 1.098 nan 8.190 nan 0.000 0.473 394 G N 2.194 111.014 108.800 0.032 0.000 2.727 394 G HA2 0.282 4.242 3.960 -0.000 0.000 0.212 394 G HA3 0.282 4.242 3.960 -0.000 0.000 0.212 394 G C 0.429 175.346 174.900 0.029 0.000 2.076 394 G CA 0.494 45.610 45.100 0.026 0.000 0.744 394 G HN 0.612 nan 8.290 nan 0.000 0.775 395 S N 1.044 116.763 115.700 0.031 0.000 2.652 395 S HA 0.634 5.104 4.470 -0.000 0.000 0.270 395 S C -2.737 171.894 174.600 0.052 0.000 1.243 395 S CA -1.031 57.191 58.200 0.036 0.000 0.999 395 S CB 1.390 64.609 63.200 0.031 0.000 0.973 395 S HN 0.194 nan 8.310 nan 0.000 0.544 396 P HA 0.314 nan 4.420 nan 0.000 0.269 396 P C -0.652 176.690 177.300 0.071 0.000 1.215 396 P CA -0.339 62.813 63.100 0.087 0.000 0.780 396 P CB 0.377 32.138 31.700 0.102 0.000 0.898 397 K N 1.459 121.906 120.400 0.078 0.000 2.156 397 K HA 0.335 4.655 4.320 -0.000 0.000 0.250 397 K C 1.442 178.054 176.600 0.020 0.000 0.955 397 K CA -0.690 55.625 56.287 0.046 0.000 0.855 397 K CB 1.252 33.780 32.500 0.047 0.000 1.101 397 K HN 0.239 nan 8.250 nan 0.000 0.434 398 R N 0.909 121.407 120.500 -0.003 0.000 2.189 398 R HA -0.320 4.020 4.340 -0.000 0.000 0.252 398 R C 2.202 178.451 176.300 -0.085 0.000 1.134 398 R CA 2.113 58.193 56.100 -0.034 0.000 0.954 398 R CB -0.312 29.965 30.300 -0.038 0.000 0.890 398 R HN 0.508 nan 8.270 nan 0.000 0.443 399 R N 0.727 121.165 120.500 -0.102 0.000 2.061 399 R HA -0.150 4.190 4.340 -0.000 0.000 0.230 399 R C 2.224 178.428 176.300 -0.161 0.000 1.140 399 R CA 1.693 57.663 56.100 -0.216 0.000 0.940 399 R CB -0.237 29.968 30.300 -0.158 0.000 0.839 399 R HN 0.262 nan 8.270 nan 0.000 0.429 400 E N 0.059 120.286 120.200 0.045 0.000 2.301 400 E HA -0.245 4.105 4.350 -0.000 0.000 0.202 400 E C 1.567 178.273 176.600 0.177 0.000 1.017 400 E CA 1.650 58.202 56.400 0.253 0.000 0.831 400 E CB -0.059 29.805 29.700 0.273 0.000 0.742 400 E HN 0.471 nan 8.360 nan 0.000 0.491 401 I N -1.039 119.551 120.570 0.034 0.000 2.628 401 I HA 0.035 4.205 4.170 -0.000 0.000 0.255 401 I C 2.500 178.567 176.117 -0.083 0.000 1.119 401 I CA 0.602 61.914 61.300 0.020 0.000 1.448 401 I CB -0.346 37.666 38.000 0.019 0.000 1.133 401 I HN 0.114 nan 8.210 nan 0.000 0.438 402 G N 0.712 109.389 108.800 -0.205 0.000 2.446 402 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 402 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 402 G C 0.478 175.163 174.900 -0.358 0.000 1.168 402 G CA 0.576 45.492 45.100 -0.307 0.000 0.771 402 G HN 0.398 nan 8.290 nan 0.000 0.551 403 H N -1.060 117.805 119.070 -0.341 0.000 2.629 403 H HA 0.434 4.990 4.556 -0.000 0.000 0.357 403 H C 1.393 176.452 175.328 -0.448 0.000 1.121 403 H CA 0.265 55.968 56.048 -0.575 0.000 1.406 403 H CB 1.242 30.317 29.762 -1.144 0.000 1.456 403 H HN 0.366 nan 8.280 nan 0.000 0.579 404 G N 1.575 110.268 108.800 -0.179 0.000 2.490 404 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.214 404 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.214 404 G C 1.439 176.209 174.900 -0.217 0.000 1.151 404 G CA 0.453 45.563 45.100 0.016 0.000 0.684 404 G HN 0.566 nan 8.290 nan 0.000 0.518 405 R N 1.226 121.645 120.500 -0.136 0.000 2.115 405 R HA 0.333 4.673 4.340 -0.000 0.000 0.226 405 R C 2.514 178.711 176.300 -0.172 0.000 1.100 405 R CA 2.039 58.056 56.100 -0.138 0.000 0.980 405 R CB -0.746 29.500 30.300 -0.090 0.000 0.875 405 R HN 0.559 nan 8.270 nan 0.000 0.445 406 L N -0.400 120.715 121.223 -0.181 0.000 2.017 406 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 406 L C 1.978 178.713 176.870 -0.225 0.000 1.073 406 L CA 1.724 56.466 54.840 -0.164 0.000 0.745 406 L CB -0.426 41.564 42.059 -0.116 0.000 0.894 406 L HN 0.373 nan 8.230 nan 0.000 0.432 407 A N -0.816 121.782 122.820 -0.370 0.000 2.067 407 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 407 A C 2.291 179.479 177.584 -0.659 0.000 1.156 407 A CA 1.344 53.056 52.037 -0.541 0.000 0.683 407 A CB -0.322 18.239 19.000 -0.732 0.000 0.808 407 A HN 0.405 nan 8.150 nan 0.000 0.455 408 K N -0.021 120.018 120.400 -0.602 0.000 2.057 408 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 408 K C 2.115 178.757 176.600 0.070 0.000 1.050 408 K CA 1.283 57.496 56.287 -0.122 0.000 0.935 408 K CB -0.159 32.297 32.500 -0.075 0.000 0.715 408 K HN 0.419 nan 8.250 nan 0.000 0.439 409 R N -0.563 119.910 120.500 -0.046 0.000 2.148 409 R HA -0.042 4.298 4.340 -0.000 0.000 0.227 409 R C 2.288 178.559 176.300 -0.048 0.000 1.103 409 R CA 1.082 57.165 56.100 -0.029 0.000 0.983 409 R CB -0.206 30.062 30.300 -0.053 0.000 0.874 409 R HN 0.326 nan 8.270 nan 0.000 0.451 410 G N -0.223 108.529 108.800 -0.080 0.000 2.534 410 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 410 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 410 G C 1.200 176.063 174.900 -0.061 0.000 1.128 410 G CA 0.349 45.402 45.100 -0.079 0.000 0.784 410 G HN 0.141 nan 8.290 nan 0.000 0.542 411 V N -0.238 119.653 119.914 -0.037 0.000 3.379 411 V HA 0.160 4.280 4.120 -0.000 0.000 0.249 411 V C 2.269 178.242 176.094 -0.202 0.000 1.184 411 V CA 0.173 62.427 62.300 -0.077 0.000 1.106 411 V CB 0.402 32.245 31.823 0.034 0.000 0.826 411 V HN 0.267 nan 8.190 nan 0.000 0.465 412 L N 1.647 122.789 121.223 -0.135 0.000 2.127 412 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 412 L C 2.388 179.188 176.870 -0.116 0.000 1.089 412 L CA 2.346 57.098 54.840 -0.147 0.000 0.757 412 L CB -0.565 41.513 42.059 0.032 0.000 0.899 412 L HN 0.271 nan 8.230 nan 0.000 0.434 413 A N -1.846 120.923 122.820 -0.084 0.000 2.066 413 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 413 A C 2.053 179.590 177.584 -0.079 0.000 1.157 413 A CA 1.549 53.546 52.037 -0.067 0.000 0.670 413 A CB -0.531 18.436 19.000 -0.055 0.000 0.804 413 A HN 0.306 nan 8.150 nan 0.000 0.453 414 V N -0.667 119.183 119.914 -0.108 0.000 2.825 414 V HA 0.060 4.179 4.120 -0.000 0.000 0.246 414 V C 1.177 177.194 176.094 -0.129 0.000 1.068 414 V CA 0.183 62.419 62.300 -0.106 0.000 1.088 414 V CB -0.609 31.152 31.823 -0.104 0.000 0.733 414 V HN 0.455 nan 8.190 nan 0.000 0.468 415 M N 2.789 122.275 119.600 -0.190 0.000 2.260 415 M HA 0.154 4.634 4.480 -0.000 0.000 0.348 415 M C -2.052 174.187 176.300 -0.102 0.000 1.342 415 M CA -1.091 54.085 55.300 -0.206 0.000 1.040 415 M CB 0.225 32.609 32.600 -0.361 0.000 1.810 415 M HN 0.127 nan 8.290 nan 0.000 0.453 416 P HA 0.169 nan 4.420 nan 0.000 0.274 416 P C -0.911 176.426 177.300 0.062 0.000 1.237 416 P CA -0.345 62.760 63.100 0.007 0.000 0.793 416 P CB 0.552 32.267 31.700 0.025 0.000 0.977 417 D N 0.468 120.908 120.400 0.067 0.000 2.539 417 D HA 0.159 4.799 4.640 -0.000 0.000 0.280 417 D C 1.440 177.791 176.300 0.085 0.000 1.208 417 D CA -0.581 53.460 54.000 0.068 0.000 1.088 417 D CB 0.041 40.864 40.800 0.038 0.000 1.149 417 D HN 0.201 nan 8.370 nan 0.000 0.596 418 M N -0.508 119.118 119.600 0.043 0.000 2.279 418 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 418 M C 0.670 176.970 176.300 -0.001 0.000 1.062 418 M CA 1.211 56.512 55.300 0.001 0.000 1.099 418 M CB -0.209 32.377 32.600 -0.024 0.000 1.394 418 M HN 0.289 nan 8.290 nan 0.000 0.426 419 D N 0.169 120.580 120.400 0.017 0.000 2.348 419 D HA -0.082 4.558 4.640 -0.000 0.000 0.216 419 D C 1.763 178.085 176.300 0.037 0.000 0.970 419 D CA 1.038 55.048 54.000 0.016 0.000 0.889 419 D CB 0.093 40.902 40.800 0.015 0.000 0.912 419 D HN 0.397 nan 8.370 nan 0.000 0.524 420 K N -1.432 119.012 120.400 0.074 0.000 2.485 420 K HA 0.073 4.393 4.320 -0.000 0.000 0.200 420 K C -0.486 176.253 176.600 0.231 0.000 1.352 420 K CA -0.128 56.231 56.287 0.121 0.000 0.953 420 K CB 0.982 33.547 32.500 0.108 0.000 1.387 420 K HN -0.073 nan 8.250 nan 0.000 0.512 421 F N 3.505 123.484 119.950 0.049 0.000 2.824 421 F HA 0.383 4.910 4.527 -0.000 0.000 0.375 421 F C -2.632 173.219 175.800 0.085 0.000 1.190 421 F CA -2.353 55.720 58.000 0.121 0.000 1.180 421 F CB 1.782 40.857 39.000 0.126 0.000 1.477 421 F HN -0.121 nan 8.300 nan 0.000 0.542 422 P HA 0.212 nan 4.420 nan 0.000 0.219 422 P C -1.635 175.221 177.300 -0.740 0.000 1.832 422 P CA 0.145 63.005 63.100 -0.400 0.000 1.014 422 P CB -0.464 31.007 31.700 -0.381 0.000 1.939 423 Y N -0.609 119.490 120.300 -0.335 0.000 2.457 423 Y HA 0.322 4.872 4.550 -0.000 0.000 0.343 423 Y C 0.893 176.780 175.900 -0.021 0.000 0.994 423 Y CA -0.888 57.056 58.100 -0.260 0.000 1.031 423 Y CB 1.688 39.843 38.460 -0.508 0.000 1.246 423 Y HN -0.083 nan 8.280 nan 0.000 0.449 424 T N 0.387 115.033 114.554 0.153 0.000 2.743 424 T HA 0.459 4.809 4.350 -0.000 0.000 0.290 424 T C -0.372 174.444 174.700 0.194 0.000 0.908 424 T CA -0.558 61.637 62.100 0.158 0.000 1.092 424 T CB -0.489 68.441 68.868 0.103 0.000 0.882 424 T HN 0.315 nan 8.240 nan 0.000 0.531 425 V N 4.685 124.756 119.914 0.262 0.000 2.394 425 V HA 0.513 4.633 4.120 -0.000 0.000 0.282 425 V C 0.474 176.697 176.094 0.215 0.000 1.031 425 V CA -0.994 61.466 62.300 0.267 0.000 0.881 425 V CB 1.184 33.218 31.823 0.351 0.000 0.982 425 V HN 0.907 nan 8.190 nan 0.000 0.451 426 R N 3.569 124.141 120.500 0.120 0.000 2.387 426 R HA 0.716 5.056 4.340 -0.000 0.000 0.314 426 R C -1.702 174.582 176.300 -0.028 0.000 0.958 426 R CA -0.419 55.695 56.100 0.022 0.000 0.846 426 R CB 1.794 32.130 30.300 0.061 0.000 1.147 426 R HN 0.560 nan 8.270 nan 0.000 0.447 427 V N 5.612 125.399 119.914 -0.212 0.000 2.378 427 V HA 0.342 4.462 4.120 -0.000 0.000 0.288 427 V C -0.508 175.230 176.094 -0.593 0.000 1.016 427 V CA -0.756 61.325 62.300 -0.364 0.000 0.840 427 V CB 1.677 33.262 31.823 -0.397 0.000 0.994 427 V HN 0.501 nan 8.190 nan 0.000 0.431 428 V N 3.643 123.372 119.914 -0.308 0.000 2.417 428 V HA 0.502 4.622 4.120 -0.000 0.000 0.291 428 V C 0.233 176.230 176.094 -0.161 0.000 1.024 428 V CA -0.296 61.885 62.300 -0.198 0.000 0.861 428 V CB 1.891 33.681 31.823 -0.056 0.000 0.985 428 V HN 0.818 nan 8.190 nan 0.000 0.436 429 S N 3.714 119.350 115.700 -0.107 0.000 2.437 429 S HA 0.481 4.951 4.470 -0.000 0.000 0.305 429 S C -0.511 174.049 174.600 -0.068 0.000 1.109 429 S CA -0.632 57.555 58.200 -0.021 0.000 1.099 429 S CB 0.693 63.977 63.200 0.139 0.000 1.004 429 S HN 0.713 nan 8.310 nan 0.000 0.475 430 E N 4.278 124.446 120.200 -0.053 0.000 2.101 430 E HA 0.306 4.656 4.350 -0.000 0.000 0.260 430 E C -0.836 175.710 176.600 -0.090 0.000 0.897 430 E CA -0.507 55.848 56.400 -0.076 0.000 0.744 430 E CB 0.989 30.677 29.700 -0.020 0.000 1.140 430 E HN 0.546 nan 8.360 nan 0.000 0.419 431 I N 2.272 122.725 120.570 -0.196 0.000 2.452 431 I HA -0.015 4.155 4.170 -0.000 0.000 0.287 431 I C 1.649 177.606 176.117 -0.266 0.000 1.079 431 I CA 0.481 61.657 61.300 -0.206 0.000 1.387 431 I CB 0.885 38.728 38.000 -0.261 0.000 1.404 431 I HN 0.392 nan 8.210 nan 0.000 0.522 432 T N 1.196 115.676 114.554 -0.124 0.000 2.971 432 T HA 0.347 4.697 4.350 -0.000 0.000 0.252 432 T C 0.472 175.133 174.700 -0.064 0.000 1.022 432 T CA -0.131 61.952 62.100 -0.028 0.000 0.980 432 T CB 0.075 69.014 68.868 0.118 0.000 1.044 432 T HN 0.498 nan 8.240 nan 0.000 0.501 433 E N 0.698 120.848 120.200 -0.083 0.000 2.292 433 E HA 0.594 4.944 4.350 -0.000 0.000 0.272 433 E C -1.620 174.950 176.600 -0.049 0.000 0.881 433 E CA -0.647 55.716 56.400 -0.062 0.000 0.754 433 E CB 2.319 32.011 29.700 -0.014 0.000 1.201 433 E HN 0.080 nan 8.360 nan 0.000 0.425 434 S N 2.030 117.709 115.700 -0.036 0.000 2.775 434 S HA 0.355 4.825 4.470 -0.000 0.000 0.277 434 S C -0.679 173.980 174.600 0.098 0.000 1.156 434 S CA -0.336 57.903 58.200 0.066 0.000 1.081 434 S CB 0.547 63.827 63.200 0.133 0.000 1.054 434 S HN 0.635 nan 8.310 nan 0.000 0.482 435 N N 3.720 122.485 118.700 0.109 0.000 2.765 435 N HA 0.285 5.025 4.740 -0.000 0.000 0.256 435 N C 1.589 177.176 175.510 0.128 0.000 0.985 435 N CA 1.060 54.182 53.050 0.120 0.000 0.980 435 N CB -0.447 38.099 38.487 0.098 0.000 1.701 435 N HN 0.556 nan 8.380 nan 0.000 0.683 436 G N -0.552 108.313 108.800 0.109 0.000 2.547 436 G HA2 0.116 4.076 3.960 -0.000 0.000 0.214 436 G HA3 0.116 4.076 3.960 -0.000 0.000 0.214 436 G C -0.056 174.892 174.900 0.081 0.000 1.254 436 G CA 0.933 46.092 45.100 0.097 0.000 0.817 436 G HN 0.379 nan 8.290 nan 0.000 0.551 437 S N -1.137 114.617 115.700 0.090 0.000 2.357 437 S HA 0.341 4.811 4.470 -0.000 0.000 0.209 437 S C 0.851 175.509 174.600 0.098 0.000 0.981 437 S CA 0.331 58.566 58.200 0.059 0.000 1.106 437 S CB 0.621 63.842 63.200 0.034 0.000 1.266 437 S HN 0.535 nan 8.310 nan 0.000 0.410 438 S N 2.339 118.112 115.700 0.121 0.000 2.453 438 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 438 S C 1.682 176.425 174.600 0.238 0.000 1.005 438 S CA 1.116 59.443 58.200 0.212 0.000 0.949 438 S CB -0.205 63.193 63.200 0.330 0.000 0.774 438 S HN 0.542 nan 8.310 nan 0.000 0.510 439 S N 1.891 117.635 115.700 0.074 0.000 2.387 439 S HA 0.172 4.641 4.470 -0.000 0.000 0.226 439 S C 1.894 176.506 174.600 0.019 0.000 1.026 439 S CA 1.001 59.202 58.200 0.002 0.000 0.972 439 S CB -0.296 62.745 63.200 -0.264 0.000 0.814 439 S HN 0.387 nan 8.310 nan 0.000 0.477 440 M N 1.089 120.695 119.600 0.010 0.000 2.349 440 M HA 0.179 4.659 4.480 -0.000 0.000 0.266 440 M C 2.346 178.655 176.300 0.015 0.000 1.076 440 M CA 0.728 56.028 55.300 -0.000 0.000 1.126 440 M CB -1.299 31.304 32.600 0.005 0.000 1.392 440 M HN 0.371 nan 8.290 nan 0.000 0.440 441 A N -0.387 122.494 122.820 0.102 0.000 2.014 441 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 441 A C 2.392 180.016 177.584 0.068 0.000 1.163 441 A CA 1.535 53.668 52.037 0.160 0.000 0.652 441 A CB -0.506 18.709 19.000 0.358 0.000 0.808 441 A HN 0.434 nan 8.150 nan 0.000 0.449 442 S N -0.319 115.465 115.700 0.140 0.000 2.406 442 S HA -0.090 4.380 4.470 -0.000 0.000 0.228 442 S C 1.824 176.522 174.600 0.163 0.000 1.020 442 S CA 1.280 59.609 58.200 0.215 0.000 0.965 442 S CB -0.269 63.157 63.200 0.377 0.000 0.798 442 S HN 0.372 nan 8.310 nan 0.000 0.488 443 V N 1.066 120.998 119.914 0.031 0.000 2.358 443 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 443 V C 2.389 178.423 176.094 -0.101 0.000 1.047 443 V CA 1.405 63.692 62.300 -0.021 0.000 1.035 443 V CB -0.996 30.783 31.823 -0.074 0.000 0.658 443 V HN 0.575 nan 8.190 nan 0.000 0.452 444 C N 0.999 120.125 119.300 -0.290 0.000 2.440 444 C HA 0.005 4.465 4.460 -0.000 0.000 0.278 444 C C 2.887 177.634 174.990 -0.406 0.000 1.295 444 C CA 0.699 59.391 59.018 -0.543 0.000 1.738 444 C CB -1.654 25.268 27.740 -1.365 0.000 1.987 444 C HN 0.659 nan 8.230 nan 0.000 0.492 445 G N 0.134 108.777 108.800 -0.262 0.000 2.464 445 G HA2 0.127 4.087 3.960 -0.000 0.000 0.217 445 G HA3 0.127 4.087 3.960 -0.000 0.000 0.217 445 G C 1.805 176.733 174.900 0.047 0.000 1.138 445 G CA 0.865 45.955 45.100 -0.018 0.000 0.793 445 G HN 0.591 nan 8.290 nan 0.000 0.539 446 A N 0.685 123.562 122.820 0.094 0.000 1.898 446 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 446 A C 2.591 180.231 177.584 0.093 0.000 1.181 446 A CA 2.137 54.275 52.037 0.168 0.000 0.620 446 A CB -0.723 18.510 19.000 0.388 0.000 0.819 446 A HN 0.376 nan 8.150 nan 0.000 0.442 447 S N -0.516 115.204 115.700 0.034 0.000 2.383 447 S HA -0.069 4.401 4.470 -0.000 0.000 0.227 447 S C 1.876 176.473 174.600 -0.004 0.000 1.026 447 S CA 1.379 59.577 58.200 -0.003 0.000 0.981 447 S CB -0.460 62.719 63.200 -0.036 0.000 0.818 447 S HN 0.479 nan 8.310 nan 0.000 0.472 448 L N 0.855 122.080 121.223 0.004 0.000 2.156 448 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 448 L C 2.847 179.732 176.870 0.026 0.000 1.095 448 L CA 1.025 55.877 54.840 0.019 0.000 0.770 448 L CB -0.545 41.541 42.059 0.045 0.000 0.914 448 L HN 0.367 nan 8.230 nan 0.000 0.439 449 A N 0.057 122.897 122.820 0.034 0.000 1.929 449 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 449 A C 2.232 179.833 177.584 0.027 0.000 1.176 449 A CA 1.103 53.162 52.037 0.036 0.000 0.628 449 A CB -0.489 18.536 19.000 0.041 0.000 0.816 449 A HN 0.342 nan 8.150 nan 0.000 0.444 450 L N -1.255 119.979 121.223 0.019 0.000 2.156 450 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 450 L C 2.702 179.544 176.870 -0.047 0.000 1.095 450 L CA 0.975 55.808 54.840 -0.012 0.000 0.770 450 L CB -0.383 41.661 42.059 -0.025 0.000 0.914 450 L HN 0.387 nan 8.230 nan 0.000 0.439 451 M N -0.700 118.879 119.600 -0.034 0.000 2.319 451 M HA -0.174 4.306 4.480 -0.000 0.000 0.265 451 M C 1.592 177.878 176.300 -0.023 0.000 1.068 451 M CA 1.364 56.641 55.300 -0.039 0.000 1.118 451 M CB -0.301 32.282 32.600 -0.028 0.000 1.395 451 M HN 0.161 nan 8.290 nan 0.000 0.435 452 D N 0.379 120.777 120.400 -0.004 0.000 2.194 452 D HA -0.013 4.627 4.640 -0.000 0.000 0.204 452 D C 1.855 178.164 176.300 0.015 0.000 0.964 452 D CA 1.265 55.270 54.000 0.009 0.000 0.846 452 D CB 0.255 41.068 40.800 0.020 0.000 0.962 452 D HN 0.238 nan 8.370 nan 0.000 0.490 453 A N -0.589 122.241 122.820 0.015 0.000 1.968 453 A HA 0.330 4.650 4.320 -0.000 0.000 0.217 453 A C 1.966 179.547 177.584 -0.005 0.000 1.169 453 A CA 1.553 53.609 52.037 0.033 0.000 0.638 453 A CB -0.427 18.597 19.000 0.040 0.000 0.812 453 A HN 0.497 nan 8.150 nan 0.000 0.446 454 G N -2.339 106.430 108.800 -0.051 0.000 2.159 454 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.170 454 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.170 454 G C 0.024 174.801 174.900 -0.206 0.000 1.007 454 G CA -0.095 44.957 45.100 -0.081 0.000 0.672 454 G HN 0.779 nan 8.290 nan 0.000 0.507 455 V N 2.642 122.385 119.914 -0.285 0.000 2.439 455 V HA 0.347 4.467 4.120 -0.000 0.000 0.271 455 V C -1.241 174.597 176.094 -0.426 0.000 1.040 455 V CA -0.744 61.210 62.300 -0.577 0.000 1.002 455 V CB 1.057 32.631 31.823 -0.415 0.000 1.000 455 V HN 0.249 nan 8.190 nan 0.000 0.477 456 P HA 0.223 nan 4.420 nan 0.000 0.244 456 P C -0.002 177.177 177.300 -0.201 0.000 1.769 456 P CA -0.153 62.795 63.100 -0.253 0.000 1.102 456 P CB -0.198 31.392 31.700 -0.183 0.000 1.937 457 I N -1.350 119.117 120.570 -0.172 0.000 2.779 457 I HA 0.194 4.364 4.170 -0.000 0.000 0.285 457 I C 1.372 177.434 176.117 -0.092 0.000 1.134 457 I CA -0.583 60.638 61.300 -0.132 0.000 1.398 457 I CB 0.756 38.683 38.000 -0.121 0.000 1.404 457 I HN -0.053 nan 8.210 nan 0.000 0.587 458 K N 3.175 123.529 120.400 -0.078 0.000 2.026 458 K HA 0.098 4.418 4.320 -0.000 0.000 0.208 458 K C 0.616 177.187 176.600 -0.049 0.000 1.048 458 K CA 1.667 57.920 56.287 -0.056 0.000 0.929 458 K CB -0.175 32.295 32.500 -0.050 0.000 0.713 458 K HN 0.861 nan 8.250 nan 0.000 0.439 459 A N -0.207 122.582 122.820 -0.052 0.000 2.602 459 A HA 0.660 4.980 4.320 -0.000 0.000 0.290 459 A C -1.598 175.958 177.584 -0.047 0.000 1.114 459 A CA -0.649 51.361 52.037 -0.044 0.000 0.683 459 A CB 1.094 20.073 19.000 -0.036 0.000 1.281 459 A HN 0.139 nan 8.150 nan 0.000 0.416 460 A N -0.209 122.588 122.820 -0.039 0.000 2.477 460 A HA 0.542 4.862 4.320 -0.000 0.000 0.246 460 A C -0.099 177.460 177.584 -0.043 0.000 1.078 460 A CA 0.011 52.025 52.037 -0.039 0.000 0.770 460 A CB 0.190 19.172 19.000 -0.029 0.000 1.011 460 A HN 1.907 nan 8.150 nan 0.000 0.494 461 V N 1.611 121.494 119.914 -0.051 0.000 2.680 461 V HA 0.827 4.947 4.120 -0.000 0.000 0.309 461 V C 0.192 176.240 176.094 -0.076 0.000 1.052 461 V CA 0.458 62.724 62.300 -0.057 0.000 0.908 461 V CB 1.654 33.443 31.823 -0.056 0.000 1.001 461 V HN 1.620 nan 8.190 nan 0.000 0.431 462 A N 3.801 126.577 122.820 -0.073 0.000 2.552 462 A HA 1.071 5.391 4.320 -0.000 0.000 0.288 462 A C -0.263 177.278 177.584 -0.071 0.000 1.193 462 A CA -0.240 51.740 52.037 -0.095 0.000 0.713 462 A CB 1.915 20.875 19.000 -0.067 0.000 1.305 462 A HN 1.930 nan 8.150 nan 0.000 0.424 463 G N -1.033 107.729 108.800 -0.062 0.000 2.556 463 G HA2 0.675 4.635 3.960 -0.000 0.000 0.294 463 G HA3 0.675 4.635 3.960 -0.000 0.000 0.294 463 G C -1.601 173.298 174.900 -0.001 0.000 1.516 463 G CA 0.142 45.219 45.100 -0.038 0.000 0.824 463 G HN 1.683 nan 8.290 nan 0.000 0.535 464 I N -1.157 119.419 120.570 0.010 0.000 3.006 464 I HA 0.905 5.075 4.170 -0.000 0.000 0.306 464 I C 0.122 176.252 176.117 0.022 0.000 1.250 464 I CA -1.675 59.649 61.300 0.039 0.000 0.996 464 I CB 1.720 39.764 38.000 0.073 0.000 1.261 464 I HN 0.935 nan 8.210 nan 0.000 0.442 465 A N 4.892 127.734 122.820 0.037 0.000 2.303 465 A HA 0.942 5.262 4.320 -0.000 0.000 0.317 465 A C -0.366 177.271 177.584 0.088 0.000 1.149 465 A CA -0.566 51.495 52.037 0.039 0.000 0.822 465 A CB 0.789 19.804 19.000 0.025 0.000 1.131 465 A HN 0.670 nan 8.150 nan 0.000 0.493 466 M N 1.271 120.959 119.600 0.147 0.000 2.535 466 M HA 0.570 5.050 4.480 -0.000 0.000 0.314 466 M C 0.282 176.670 176.300 0.146 0.000 1.153 466 M CA -0.346 55.060 55.300 0.176 0.000 0.924 466 M CB 1.466 34.242 32.600 0.293 0.000 1.710 466 M HN 0.856 nan 8.290 nan 0.000 0.451 467 G N 1.068 109.923 108.800 0.091 0.000 2.630 467 G HA2 0.846 4.806 3.960 -0.000 0.000 0.296 467 G HA3 0.846 4.806 3.960 -0.000 0.000 0.296 467 G C -2.191 172.731 174.900 0.037 0.000 1.285 467 G CA -0.471 44.666 45.100 0.062 0.000 0.958 467 G HN 0.577 nan 8.290 nan 0.000 0.479 468 L N -0.211 121.029 121.223 0.027 0.000 2.472 468 L HA 0.683 5.023 4.340 -0.000 0.000 0.260 468 L C -1.198 175.686 176.870 0.024 0.000 0.963 468 L CA -0.610 54.244 54.840 0.023 0.000 0.829 468 L CB 2.543 44.601 42.059 -0.002 0.000 1.348 468 L HN 0.375 nan 8.230 nan 0.000 0.408 469 V N 4.237 124.169 119.914 0.031 0.000 2.349 469 V HA 0.531 4.651 4.120 -0.000 0.000 0.284 469 V C -0.425 175.691 176.094 0.037 0.000 1.014 469 V CA -0.636 61.676 62.300 0.020 0.000 0.826 469 V CB 1.363 33.188 31.823 0.003 0.000 1.009 469 V HN 0.694 nan 8.190 nan 0.000 0.431 470 K N 3.491 123.910 120.400 0.032 0.000 2.376 470 K HA 0.604 4.924 4.320 -0.000 0.000 0.257 470 K C -1.066 175.547 176.600 0.022 0.000 0.939 470 K CA -0.564 55.750 56.287 0.045 0.000 0.809 470 K CB 1.562 34.084 32.500 0.037 0.000 1.121 470 K HN 0.526 nan 8.250 nan 0.000 0.425 471 E N 2.963 123.177 120.200 0.024 0.000 2.460 471 E HA 0.244 4.594 4.350 -0.000 0.000 0.249 471 E C 0.267 176.875 176.600 0.013 0.000 0.962 471 E CA -0.026 56.380 56.400 0.010 0.000 0.787 471 E CB 1.415 31.116 29.700 0.001 0.000 1.341 471 E HN 0.978 nan 8.360 nan 0.000 0.407 472 G N 4.840 113.645 108.800 0.008 0.000 3.031 472 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.289 472 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.289 472 G C 0.586 175.497 174.900 0.018 0.000 1.393 472 G CA 0.664 45.768 45.100 0.007 0.000 1.010 472 G HN 0.536 nan 8.290 nan 0.000 0.579 473 D N 1.137 121.556 120.400 0.032 0.000 2.455 473 D HA 0.135 4.775 4.640 -0.000 0.000 0.228 473 D C 0.764 177.138 176.300 0.123 0.000 1.070 473 D CA 0.441 54.477 54.000 0.059 0.000 0.881 473 D CB -0.600 40.225 40.800 0.041 0.000 1.087 473 D HN 0.579 nan 8.370 nan 0.000 0.498 474 N N 0.091 118.838 118.700 0.077 0.000 2.497 474 N HA 0.328 5.068 4.740 -0.000 0.000 0.271 474 N C -1.022 174.557 175.510 0.115 0.000 1.142 474 N CA -0.306 52.774 53.050 0.051 0.000 0.965 474 N CB 0.465 38.945 38.487 -0.012 0.000 1.077 474 N HN 0.252 nan 8.380 nan 0.000 0.462 475 Y N -1.316 118.963 120.300 -0.035 0.000 2.534 475 Y HA 0.718 5.268 4.550 -0.000 0.000 0.345 475 Y C -1.530 174.346 175.900 -0.039 0.000 1.031 475 Y CA -1.288 56.787 58.100 -0.041 0.000 1.022 475 Y CB 0.901 39.330 38.460 -0.052 0.000 1.292 475 Y HN 0.104 nan 8.280 nan 0.000 0.459 476 V N 4.122 124.045 119.914 0.014 0.000 2.409 476 V HA 0.372 4.492 4.120 -0.000 0.000 0.290 476 V C -0.564 175.555 176.094 0.041 0.000 1.017 476 V CA -0.947 61.324 62.300 -0.048 0.000 0.841 476 V CB 1.397 33.186 31.823 -0.056 0.000 1.003 476 V HN 0.779 nan 8.190 nan 0.000 0.426 477 V N 6.750 126.697 119.914 0.055 0.000 2.488 477 V HA 0.356 4.476 4.120 -0.000 0.000 0.277 477 V C 0.026 176.136 176.094 0.027 0.000 1.046 477 V CA -0.079 62.253 62.300 0.054 0.000 0.986 477 V CB 1.066 32.927 31.823 0.063 0.000 0.989 477 V HN 0.610 nan 8.190 nan 0.000 0.475 478 L N 4.286 125.528 121.223 0.032 0.000 2.341 478 L HA 0.515 4.855 4.340 -0.000 0.000 0.278 478 L C 0.110 177.008 176.870 0.046 0.000 1.005 478 L CA -0.190 54.669 54.840 0.031 0.000 0.818 478 L CB 2.097 44.174 42.059 0.030 0.000 1.259 478 L HN 0.564 nan 8.230 nan 0.000 0.418 479 S N 1.090 116.814 115.700 0.040 0.000 2.480 479 S HA 0.186 4.656 4.470 -0.000 0.000 0.286 479 S C -0.378 174.252 174.600 0.050 0.000 1.180 479 S CA -0.360 57.869 58.200 0.048 0.000 1.075 479 S CB 1.048 64.267 63.200 0.033 0.000 0.996 479 S HN 0.746 nan 8.310 nan 0.000 0.487 480 D N 1.815 122.253 120.400 0.063 0.000 3.038 480 D HA -0.176 4.464 4.640 -0.000 0.000 0.229 480 D C 0.020 176.359 176.300 0.065 0.000 1.182 480 D CA 0.456 54.496 54.000 0.068 0.000 0.852 480 D CB -1.161 39.680 40.800 0.070 0.000 0.932 480 D HN 0.596 nan 8.370 nan 0.000 0.406 481 I N -1.768 118.842 120.570 0.066 0.000 2.779 481 I HA 0.335 4.505 4.170 -0.000 0.000 0.285 481 I C 0.608 176.773 176.117 0.080 0.000 1.134 481 I CA -1.052 60.289 61.300 0.067 0.000 1.398 481 I CB 0.450 38.487 38.000 0.062 0.000 1.404 481 I HN -0.031 nan 8.210 nan 0.000 0.587 482 L N 3.965 125.244 121.223 0.095 0.000 2.600 482 L HA 0.379 4.719 4.340 -0.000 0.000 0.221 482 L C 1.834 178.797 176.870 0.154 0.000 1.197 482 L CA 0.747 55.661 54.840 0.123 0.000 0.838 482 L CB 0.152 42.292 42.059 0.136 0.000 1.474 482 L HN 0.851 nan 8.230 nan 0.000 0.514 483 G N -1.217 107.710 108.800 0.211 0.000 2.402 483 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 483 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 483 G C 0.971 176.118 174.900 0.412 0.000 1.162 483 G CA 0.500 45.779 45.100 0.299 0.000 0.777 483 G HN 0.659 nan 8.290 nan 0.000 0.539 484 D N 0.500 121.110 120.400 0.349 0.000 2.224 484 D HA -0.007 4.633 4.640 -0.000 0.000 0.205 484 D C 2.378 178.809 176.300 0.217 0.000 0.965 484 D CA 0.571 54.761 54.000 0.316 0.000 0.852 484 D CB -0.093 40.888 40.800 0.300 0.000 0.947 484 D HN 0.447 nan 8.370 nan 0.000 0.494 485 E N 0.172 120.470 120.200 0.163 0.000 2.274 485 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 485 E C 1.200 177.846 176.600 0.078 0.000 0.996 485 E CA 0.594 57.051 56.400 0.096 0.000 0.840 485 E CB 0.189 29.937 29.700 0.079 0.000 0.772 485 E HN 0.161 nan 8.360 nan 0.000 0.491 486 D N -0.259 120.186 120.400 0.075 0.000 2.183 486 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 486 D C 1.540 177.809 176.300 -0.052 0.000 0.962 486 D CA 1.085 55.075 54.000 -0.018 0.000 0.849 486 D CB 0.180 40.923 40.800 -0.096 0.000 0.978 486 D HN 0.191 nan 8.370 nan 0.000 0.488 487 H N -0.850 118.283 119.070 0.104 0.000 2.372 487 H HA 0.197 4.753 4.556 -0.000 0.000 0.301 487 H C 1.450 176.844 175.328 0.110 0.000 1.065 487 H CA 0.922 57.044 56.048 0.122 0.000 1.364 487 H CB 0.199 30.061 29.762 0.167 0.000 1.406 487 H HN 0.111 nan 8.280 nan 0.000 0.521 488 L N 0.132 121.467 121.223 0.185 0.000 2.607 488 L HA 0.224 4.564 4.340 -0.000 0.000 0.228 488 L C 1.624 178.518 176.870 0.040 0.000 1.123 488 L CA -0.156 54.730 54.840 0.077 0.000 0.890 488 L CB 0.182 42.225 42.059 -0.027 0.000 1.103 488 L HN 0.236 nan 8.230 nan 0.000 0.468 489 G N -0.391 108.440 108.800 0.051 0.000 2.873 489 G HA2 0.053 4.013 3.960 -0.000 0.000 0.170 489 G HA3 0.053 4.013 3.960 -0.000 0.000 0.170 489 G C 0.199 175.118 174.900 0.031 0.000 1.608 489 G CA 0.154 45.273 45.100 0.031 0.000 1.084 489 G HN 0.064 nan 8.290 nan 0.000 0.563 490 D N -1.397 119.018 120.400 0.025 0.000 2.212 490 D HA 0.135 4.774 4.640 -0.000 0.000 0.311 490 D C 0.859 177.170 176.300 0.019 0.000 1.091 490 D CA 0.454 54.465 54.000 0.019 0.000 0.910 490 D CB 0.716 41.521 40.800 0.007 0.000 1.707 490 D HN 0.456 nan 8.370 nan 0.000 0.522 491 M N -0.352 119.263 119.600 0.025 0.000 2.575 491 M HA 0.568 5.048 4.480 -0.000 0.000 0.284 491 M C -1.980 174.356 176.300 0.060 0.000 1.253 491 M CA -0.745 54.579 55.300 0.040 0.000 0.861 491 M CB 3.377 36.000 32.600 0.037 0.000 1.733 491 M HN -0.382 nan 8.290 nan 0.000 0.462 492 D N 1.989 122.434 120.400 0.075 0.000 2.464 492 D HA 0.383 5.023 4.640 -0.000 0.000 0.243 492 D C -2.084 174.294 176.300 0.129 0.000 1.104 492 D CA -0.112 53.933 54.000 0.075 0.000 0.883 492 D CB 0.663 41.476 40.800 0.022 0.000 1.050 492 D HN 0.550 nan 8.370 nan 0.000 0.524 493 F N 3.816 123.759 119.950 -0.012 0.000 2.309 493 F HA 0.367 4.894 4.527 -0.000 0.000 0.366 493 F C -0.026 175.768 175.800 -0.010 0.000 1.104 493 F CA -0.740 57.253 58.000 -0.013 0.000 1.179 493 F CB 0.281 39.274 39.000 -0.012 0.000 1.437 493 F HN -0.027 nan 8.300 nan 0.000 0.528 494 K N 4.761 124.982 120.400 -0.299 0.000 2.227 494 K HA 0.562 4.882 4.320 -0.000 0.000 0.280 494 K C -1.080 175.293 176.600 -0.379 0.000 1.041 494 K CA -0.626 55.513 56.287 -0.248 0.000 0.905 494 K CB 1.867 34.276 32.500 -0.152 0.000 1.068 494 K HN 0.276 nan 8.250 nan 0.000 0.470 495 V N 2.054 121.815 119.914 -0.254 0.000 2.531 495 V HA 0.605 4.725 4.120 -0.000 0.000 0.301 495 V C -0.698 175.326 176.094 -0.116 0.000 1.034 495 V CA -0.934 61.238 62.300 -0.214 0.000 0.865 495 V CB 1.577 33.309 31.823 -0.152 0.000 0.995 495 V HN 0.876 nan 8.190 nan 0.000 0.424 496 A N 3.313 126.066 122.820 -0.111 0.000 2.359 496 A HA 1.030 5.350 4.320 -0.000 0.000 0.303 496 A C -0.008 177.533 177.584 -0.073 0.000 1.066 496 A CA 0.102 52.089 52.037 -0.084 0.000 0.730 496 A CB 1.795 20.739 19.000 -0.092 0.000 1.211 496 A HN 1.440 nan 8.150 nan 0.000 0.439 497 G N 0.081 108.847 108.800 -0.057 0.000 2.488 497 G HA2 0.649 4.609 3.960 -0.000 0.000 0.301 497 G HA3 0.649 4.609 3.960 -0.000 0.000 0.301 497 G C -0.243 174.632 174.900 -0.041 0.000 1.339 497 G CA 0.287 45.357 45.100 -0.050 0.000 0.803 497 G HN 1.581 nan 8.290 nan 0.000 0.482 498 S N -0.946 114.732 115.700 -0.037 0.000 2.677 498 S HA 0.474 4.944 4.470 -0.000 0.000 0.290 498 S C 1.437 176.025 174.600 -0.020 0.000 1.124 498 S CA -0.076 58.105 58.200 -0.031 0.000 1.017 498 S CB 1.621 64.799 63.200 -0.035 0.000 1.215 498 S HN 0.779 nan 8.310 nan 0.000 0.524 499 R N 0.189 120.679 120.500 -0.016 0.000 2.115 499 R HA -0.059 4.281 4.340 -0.000 0.000 0.226 499 R C 1.022 177.317 176.300 -0.009 0.000 1.100 499 R CA 1.636 57.731 56.100 -0.008 0.000 0.980 499 R CB -0.439 29.857 30.300 -0.007 0.000 0.875 499 R HN 0.670 nan 8.270 nan 0.000 0.445 500 D N -0.914 119.477 120.400 -0.015 0.000 2.120 500 D HA 0.052 4.692 4.640 -0.000 0.000 0.202 500 D C 0.876 177.165 176.300 -0.018 0.000 0.972 500 D CA 1.462 55.453 54.000 -0.015 0.000 0.837 500 D CB 0.248 41.037 40.800 -0.018 0.000 0.989 500 D HN 0.393 nan 8.370 nan 0.000 0.469 501 G N -0.587 108.198 108.800 -0.025 0.000 2.782 501 G HA2 0.564 4.524 3.960 -0.000 0.000 0.304 501 G HA3 0.564 4.524 3.960 -0.000 0.000 0.304 501 G C -1.392 173.486 174.900 -0.037 0.000 1.315 501 G CA -0.750 44.331 45.100 -0.031 0.000 0.791 501 G HN -0.004 nan 8.290 nan 0.000 0.519 502 I N 1.423 121.966 120.570 -0.046 0.000 2.359 502 I HA 0.260 4.430 4.170 -0.000 0.000 0.294 502 I C 1.379 177.458 176.117 -0.062 0.000 0.987 502 I CA -0.469 60.799 61.300 -0.052 0.000 1.225 502 I CB 2.112 40.080 38.000 -0.053 0.000 1.366 502 I HN 0.586 nan 8.210 nan 0.000 0.466 503 S N 4.140 119.802 115.700 -0.064 0.000 2.427 503 S HA 0.408 4.878 4.470 -0.000 0.000 0.224 503 S C 0.675 175.234 174.600 -0.068 0.000 1.047 503 S CA 0.137 58.299 58.200 -0.064 0.000 0.953 503 S CB 0.355 63.517 63.200 -0.063 0.000 0.824 503 S HN 0.713 nan 8.310 nan 0.000 0.502 504 A N 0.636 123.407 122.820 -0.081 0.000 2.486 504 A HA 0.780 5.100 4.320 -0.000 0.000 0.300 504 A C -1.662 175.849 177.584 -0.122 0.000 1.048 504 A CA -0.664 51.318 52.037 -0.092 0.000 0.696 504 A CB 1.704 20.648 19.000 -0.094 0.000 1.278 504 A HN 0.646 nan 8.150 nan 0.000 0.405 505 L N 0.985 122.128 121.223 -0.134 0.000 2.476 505 L HA 0.637 4.977 4.340 -0.000 0.000 0.269 505 L C -0.700 176.055 176.870 -0.192 0.000 0.965 505 L CA 0.071 54.789 54.840 -0.204 0.000 0.845 505 L CB 1.954 43.898 42.059 -0.191 0.000 1.259 505 L HN 0.835 nan 8.230 nan 0.000 0.403 506 Q N 4.941 124.596 119.800 -0.242 0.000 2.337 506 Q HA 0.642 4.982 4.340 -0.000 0.000 0.266 506 Q C -1.605 174.278 176.000 -0.195 0.000 1.023 506 Q CA -0.651 55.050 55.803 -0.170 0.000 0.829 506 Q CB 2.010 30.676 28.738 -0.121 0.000 1.306 506 Q HN 0.826 nan 8.270 nan 0.000 0.449 507 M N 3.738 123.293 119.600 -0.075 0.000 2.197 507 M HA 0.380 4.860 4.480 -0.000 0.000 0.301 507 M C -1.932 174.396 176.300 0.046 0.000 0.987 507 M CA -0.480 54.844 55.300 0.039 0.000 0.921 507 M CB 1.455 34.133 32.600 0.130 0.000 1.569 507 M HN 0.568 nan 8.290 nan 0.000 0.431 508 D N 6.576 127.014 120.400 0.063 0.000 2.421 508 D HA 0.447 5.087 4.640 -0.000 0.000 0.254 508 D C -0.891 175.438 176.300 0.049 0.000 1.238 508 D CA 0.008 54.033 54.000 0.042 0.000 0.919 508 D CB 1.304 42.118 40.800 0.024 0.000 1.152 508 D HN 0.538 nan 8.370 nan 0.000 0.552 509 I N 0.988 121.580 120.570 0.036 0.000 2.377 509 I HA 0.322 4.492 4.170 -0.000 0.000 0.293 509 I C 1.520 177.644 176.117 0.012 0.000 0.987 509 I CA -0.657 60.655 61.300 0.020 0.000 1.185 509 I CB 1.552 39.551 38.000 -0.001 0.000 1.341 509 I HN 0.220 nan 8.210 nan 0.000 0.455 510 K N 6.434 126.843 120.400 0.015 0.000 2.400 510 K HA 0.287 4.607 4.320 -0.000 0.000 0.194 510 K C 0.394 176.994 176.600 -0.000 0.000 1.033 510 K CA 0.604 56.903 56.287 0.019 0.000 1.021 510 K CB -0.449 32.073 32.500 0.038 0.000 0.808 510 K HN 0.748 nan 8.250 nan 0.000 0.505 511 I N -1.887 118.674 120.570 -0.015 0.000 2.846 511 I HA 0.517 4.686 4.170 -0.000 0.000 0.307 511 I C -0.530 175.556 176.117 -0.051 0.000 1.053 511 I CA -1.332 59.949 61.300 -0.032 0.000 1.050 511 I CB 2.385 40.371 38.000 -0.024 0.000 1.239 511 I HN 0.235 nan 8.210 nan 0.000 0.439 512 E N 2.268 122.429 120.200 -0.065 0.000 2.166 512 E HA 0.675 5.025 4.350 -0.000 0.000 0.275 512 E C 0.166 176.725 176.600 -0.069 0.000 0.941 512 E CA -0.917 55.438 56.400 -0.075 0.000 0.784 512 E CB 1.642 31.284 29.700 -0.096 0.000 1.115 512 E HN 1.171 nan 8.360 nan 0.000 0.399 513 G N 2.834 111.590 108.800 -0.074 0.000 2.165 513 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.144 513 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.144 513 G C -0.361 174.483 174.900 -0.094 0.000 1.049 513 G CA -0.520 44.535 45.100 -0.074 0.000 0.741 513 G HN 0.554 nan 8.290 nan 0.000 0.493 514 I N 2.482 122.985 120.570 -0.112 0.000 2.634 514 I HA 0.504 4.674 4.170 -0.000 0.000 0.284 514 I C 0.842 176.860 176.117 -0.164 0.000 1.124 514 I CA 0.634 61.848 61.300 -0.144 0.000 1.417 514 I CB 0.944 38.857 38.000 -0.145 0.000 1.396 514 I HN 0.178 nan 8.210 nan 0.000 0.571 515 T N 6.455 120.892 114.554 -0.196 0.000 2.943 515 T HA 0.229 4.579 4.350 -0.000 0.000 0.284 515 T C 0.949 175.533 174.700 -0.193 0.000 1.015 515 T CA -0.803 61.184 62.100 -0.189 0.000 1.042 515 T CB 1.673 70.414 68.868 -0.213 0.000 1.055 515 T HN 0.600 nan 8.240 nan 0.000 0.500 516 K N 0.967 121.277 120.400 -0.151 0.000 2.097 516 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 516 K C 2.084 178.605 176.600 -0.132 0.000 1.050 516 K CA 1.591 57.803 56.287 -0.126 0.000 0.938 516 K CB 0.050 32.500 32.500 -0.083 0.000 0.718 516 K HN 0.808 nan 8.250 nan 0.000 0.442 517 E N 0.808 120.920 120.200 -0.147 0.000 2.216 517 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 517 E C 1.928 178.402 176.600 -0.211 0.000 0.988 517 E CA 1.065 57.380 56.400 -0.140 0.000 0.834 517 E CB -0.481 29.153 29.700 -0.110 0.000 0.772 517 E HN 0.582 nan 8.360 nan 0.000 0.479 518 I N -2.656 117.711 120.570 -0.338 0.000 3.419 518 I HA 0.101 4.271 4.170 -0.000 0.000 0.286 518 I C 2.112 178.020 176.117 -0.348 0.000 1.268 518 I CA 0.294 61.318 61.300 -0.460 0.000 1.414 518 I CB -0.057 37.489 38.000 -0.758 0.000 1.074 518 I HN -0.019 nan 8.210 nan 0.000 0.457 519 M N 1.252 120.671 119.600 -0.302 0.000 2.334 519 M HA -0.056 4.424 4.480 -0.000 0.000 0.266 519 M C 2.408 178.555 176.300 -0.254 0.000 1.082 519 M CA 1.335 56.425 55.300 -0.350 0.000 1.141 519 M CB -0.126 32.336 32.600 -0.230 0.000 1.380 519 M HN 0.419 nan 8.290 nan 0.000 0.440 520 Q N -0.250 119.468 119.800 -0.136 0.000 2.245 520 Q HA -0.045 4.295 4.340 -0.000 0.000 0.201 520 Q C 1.663 177.640 176.000 -0.039 0.000 0.955 520 Q CA 1.228 57.000 55.803 -0.052 0.000 0.870 520 Q CB -0.424 28.298 28.738 -0.028 0.000 0.945 520 Q HN 0.283 nan 8.270 nan 0.000 0.461 521 V N 1.659 121.534 119.914 -0.066 0.000 2.379 521 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 521 V C 2.506 178.582 176.094 -0.031 0.000 1.044 521 V CA 1.698 63.986 62.300 -0.019 0.000 1.036 521 V CB -0.777 31.065 31.823 0.032 0.000 0.664 521 V HN 0.546 nan 8.190 nan 0.000 0.453 522 A N -0.566 122.170 122.820 -0.140 0.000 2.015 522 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 522 A C 2.092 179.705 177.584 0.048 0.000 1.163 522 A CA 1.628 53.554 52.037 -0.185 0.000 0.646 522 A CB -0.371 18.259 19.000 -0.616 0.000 0.806 522 A HN 0.447 nan 8.150 nan 0.000 0.448 523 L N -0.394 120.887 121.223 0.097 0.000 2.209 523 L HA 0.082 4.422 4.340 -0.000 0.000 0.207 523 L C 1.833 178.790 176.870 0.146 0.000 1.094 523 L CA 1.804 56.819 54.840 0.291 0.000 0.790 523 L CB -0.463 41.756 42.059 0.266 0.000 0.932 523 L HN 0.433 nan 8.230 nan 0.000 0.447 524 N N -0.962 117.787 118.700 0.081 0.000 2.250 524 N HA -0.188 4.552 4.740 -0.000 0.000 0.181 524 N C 1.859 177.404 175.510 0.058 0.000 1.017 524 N CA 1.132 54.217 53.050 0.058 0.000 0.866 524 N CB 0.004 38.514 38.487 0.038 0.000 0.985 524 N HN 0.433 nan 8.380 nan 0.000 0.429 525 Q N -0.758 119.077 119.800 0.060 0.000 2.230 525 Q HA 0.069 4.408 4.340 -0.000 0.000 0.202 525 Q C 1.620 177.662 176.000 0.070 0.000 0.963 525 Q CA 1.094 56.929 55.803 0.055 0.000 0.866 525 Q CB -0.073 28.693 28.738 0.046 0.000 0.931 525 Q HN 0.477 nan 8.270 nan 0.000 0.452 526 A N 0.778 123.659 122.820 0.102 0.000 2.014 526 A HA -0.146 4.173 4.320 -0.000 0.000 0.218 526 A C 1.930 179.558 177.584 0.074 0.000 1.163 526 A CA 1.176 53.276 52.037 0.105 0.000 0.652 526 A CB -0.317 18.774 19.000 0.152 0.000 0.808 526 A HN 0.262 nan 8.150 nan 0.000 0.449 527 K N -0.391 120.049 120.400 0.067 0.000 2.057 527 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 527 K C 2.022 178.653 176.600 0.051 0.000 1.050 527 K CA 1.317 57.634 56.287 0.050 0.000 0.935 527 K CB -0.457 32.069 32.500 0.043 0.000 0.715 527 K HN 0.391 nan 8.250 nan 0.000 0.439 528 G N 0.310 109.141 108.800 0.053 0.000 2.402 528 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 528 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 528 G C 1.517 176.462 174.900 0.074 0.000 1.162 528 G CA 0.841 45.974 45.100 0.055 0.000 0.777 528 G HN 0.420 nan 8.290 nan 0.000 0.539 529 A N 0.257 123.117 122.820 0.068 0.000 2.014 529 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 529 A C 2.276 179.932 177.584 0.120 0.000 1.163 529 A CA 1.518 53.606 52.037 0.084 0.000 0.652 529 A CB -0.326 18.711 19.000 0.062 0.000 0.808 529 A HN 0.346 nan 8.150 nan 0.000 0.449 530 R N -0.429 120.122 120.500 0.086 0.000 2.090 530 R HA 0.043 4.383 4.340 -0.000 0.000 0.228 530 R C 1.703 178.045 176.300 0.071 0.000 1.110 530 R CA 1.087 57.227 56.100 0.067 0.000 0.973 530 R CB -0.291 30.030 30.300 0.036 0.000 0.869 530 R HN 0.515 nan 8.270 nan 0.000 0.440 531 L N -0.967 120.303 121.223 0.078 0.000 2.217 531 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 531 L C 2.268 179.192 176.870 0.090 0.000 1.107 531 L CA 1.104 55.985 54.840 0.068 0.000 0.783 531 L CB -0.397 41.698 42.059 0.060 0.000 0.919 531 L HN 0.317 nan 8.230 nan 0.000 0.442 532 H N 0.389 119.482 119.070 0.038 0.000 2.389 532 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 532 H C 2.142 177.506 175.328 0.060 0.000 1.081 532 H CA 1.682 57.756 56.048 0.044 0.000 1.345 532 H CB 0.128 29.917 29.762 0.046 0.000 1.393 532 H HN 0.200 nan 8.280 nan 0.000 0.520 533 I N -0.198 120.442 120.570 0.118 0.000 2.286 533 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 533 I C 2.104 178.246 176.117 0.041 0.000 1.104 533 I CA 0.812 62.175 61.300 0.104 0.000 1.397 533 I CB -0.205 37.897 38.000 0.170 0.000 1.072 533 I HN 0.233 nan 8.210 nan 0.000 0.417 534 L N 0.665 121.901 121.223 0.022 0.000 2.131 534 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 534 L C 2.643 179.505 176.870 -0.013 0.000 1.092 534 L CA 1.398 56.239 54.840 0.002 0.000 0.759 534 L CB -1.008 41.051 42.059 0.001 0.000 0.903 534 L HN 0.344 nan 8.230 nan 0.000 0.435 535 G N -0.557 108.220 108.800 -0.038 0.000 2.408 535 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 535 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 535 G C 1.523 176.384 174.900 -0.065 0.000 1.150 535 G CA 0.869 45.934 45.100 -0.058 0.000 0.776 535 G HN 0.229 nan 8.290 nan 0.000 0.542 536 V N 0.697 120.561 119.914 -0.084 0.000 2.591 536 V HA -0.037 4.083 4.120 -0.000 0.000 0.249 536 V C 2.770 178.871 176.094 0.012 0.000 1.053 536 V CA 1.432 63.704 62.300 -0.047 0.000 1.068 536 V CB -0.299 31.492 31.823 -0.053 0.000 0.689 536 V HN 0.330 nan 8.190 nan 0.000 0.462 537 M N -0.328 119.290 119.600 0.030 0.000 2.175 537 M HA -0.149 4.331 4.480 -0.000 0.000 0.264 537 M C 2.130 178.440 176.300 0.017 0.000 1.063 537 M CA 1.700 57.025 55.300 0.043 0.000 1.119 537 M CB -0.333 32.285 32.600 0.031 0.000 1.377 537 M HN 0.359 nan 8.290 nan 0.000 0.415 538 E N -0.226 119.975 120.200 0.002 0.000 2.274 538 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 538 E C 1.912 178.511 176.600 -0.003 0.000 0.996 538 E CA 0.587 56.985 56.400 -0.004 0.000 0.840 538 E CB -0.064 29.631 29.700 -0.009 0.000 0.772 538 E HN 0.532 nan 8.360 nan 0.000 0.491 539 Q N 0.555 120.353 119.800 -0.003 0.000 2.119 539 Q HA -0.152 4.188 4.340 -0.000 0.000 0.201 539 Q C 1.904 177.906 176.000 0.003 0.000 0.972 539 Q CA 1.298 57.099 55.803 -0.003 0.000 0.847 539 Q CB 0.040 28.772 28.738 -0.009 0.000 0.903 539 Q HN 0.236 nan 8.270 nan 0.000 0.433 540 A N 0.515 123.341 122.820 0.010 0.000 1.838 540 A HA 0.171 4.491 4.320 -0.000 0.000 0.215 540 A C 0.716 178.306 177.584 0.010 0.000 1.273 540 A CA 1.078 53.123 52.037 0.014 0.000 0.602 540 A CB -0.054 18.962 19.000 0.027 0.000 0.934 540 A HN 0.447 nan 8.150 nan 0.000 0.461 541 I N -3.513 117.064 120.570 0.010 0.000 2.656 541 I HA 0.480 4.650 4.170 -0.000 0.000 0.292 541 I C -0.596 175.520 176.117 -0.002 0.000 1.144 541 I CA -0.775 60.527 61.300 0.003 0.000 1.038 541 I CB 2.140 40.142 38.000 0.004 0.000 1.244 541 I HN 0.234 nan 8.210 nan 0.000 0.420 542 N N 3.086 121.782 118.700 -0.007 0.000 2.143 542 N HA 0.474 5.214 4.740 -0.000 0.000 0.222 542 N C -0.353 175.146 175.510 -0.020 0.000 1.264 542 N CA 0.103 53.145 53.050 -0.013 0.000 0.897 542 N CB 1.268 39.748 38.487 -0.012 0.000 1.092 542 N HN 0.834 nan 8.380 nan 0.000 0.516 543 A N 1.428 124.237 122.820 -0.019 0.000 2.374 543 A HA 0.718 5.038 4.320 -0.000 0.000 0.305 543 A C -2.507 175.060 177.584 -0.027 0.000 1.053 543 A CA -0.998 51.024 52.037 -0.025 0.000 0.726 543 A CB 1.567 20.555 19.000 -0.019 0.000 1.229 543 A HN 0.109 nan 8.150 nan 0.000 0.431 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.072 63.100 -0.047 0.000 0.800 544 P CB 0.000 31.651 31.700 -0.082 0.000 0.726