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 1g9d_1_A DATA FIRST_RESID 1 DATA SEQUENCE PVTINNFNYN DPIDNNNIIM MEPPFARGTG RYYKAFKITD RIWIIPERYT DATA SEQUENCE FGYKPEDFNK SSGIFNRDVC EYYDPDYLNT NDKKNIFLQT MIKLFNRIKS DATA SEQUENCE KPLGEKLLEM IINGIPYLGD RRVPLEEFNT NIASVTVNKL ISNPGEVERK DATA SEQUENCE KGIFANLIIF GPGPVLNENE TIDIGIQNHF ASREGFGGIM QMKFCPEYVS DATA SEQUENCE VFNNVQENKG ASIFNRRGYF SDPALILMHE LIHVLHGLYG IKVDDLPIVP DATA SEQUENCE NEKKFFMQST DAIQAEELYT FGGQDPSIIT PSTDKSIYDK VLQNFRGIVD DATA SEQUENCE RLNKVLVCIS DPNININIYK NKFKDKYKFV EDSEGKYSID VESFDKLYKS DATA SEQUENCE LMFGFTETNI AENYKIKTRA SYFSDSLPPV KIKNLLDNEI YTIEEGFNIS DATA SEQUENCE DKDMEKEYRG QNKAINKQAY EEISKEHLAV YKIQMCKSVX XXGICIDVDN DATA SEQUENCE EDLFFIADKN SFSDDLSKNE RIEYNTQSNY IENDFPINEL ILDTDLISKI DATA SEQUENCE ELPSENTESL TDFNVDVPVY EKQPAIKKIF TDENTIFQYL YSQTFPLDIR DATA SEQUENCE DISLTSSFDD ALLFSNKVYS FFSMDYIKTA NKVVEAGLFA GWVKQIVNDF DATA SEQUENCE VIEANKSNTM DKIADISLIV PYIGLALNVG NETAKGNFEN AFEIAGASIL DATA SEQUENCE LEFIPELLIP VVGAFLLESY IDNKNKIIKT IDNALTKRNE KWSDMYGLIV DATA SEQUENCE AQWLSTVNTQ FYTIKEGMYK ALNYQAQALE EIIKYRYNIY SEKEKSNINI DATA SEQUENCE DFNDINSKLN EGINQAIDNI NNFINGCSVS YLMKKMIPLA VEKLLDFDNT DATA SEQUENCE LKKNLLNYID ENKLYLIGSA EYEKSKVNKY LKTIMPFDLS IYTNDTILIE DATA SEQUENCE MFNKYNSEIL NNIILNLRYK DNNLIDLSGY GAKVEVYDGV ELNDKNQFKL DATA SEQUENCE TSSANSKIRV TQNQNIIFNS VFLDFSVSFW IRIPKYKNDG IQNYIHNEYT DATA SEQUENCE IINCMKNNSG WKISIRGNRI IWTLIDINGK TKSVFFEYNI REDISEYINR DATA SEQUENCE WFFVTITNNL NNAKIYINGK LESNTDIKDI REVIANGEII FKLDGDIDRT DATA SEQUENCE QFIWMKYFSI FNTELSQSNI EERYKIQSYS EYLKDFWGNP LMYNKEYYMF DATA SEQUENCE NAGNKNSYIK LKKDSPVGEI LTRSKYNQNS KYINYRDLYI GEKFIIRRKS DATA SEQUENCE NSQSINDDIV RKEDYIYLDF FNLNQEWRVY TYKYFKKEEE KLFLAPISDS DATA SEQUENCE DEFYNTIQIK EYDEQPTYSC QLLFKKDEES TDEIGLIGIH RFYESGIVFE DATA SEQUENCE EYKDYFCISK WYLKEVKRKP YNLKLGCNWQ FIPKDEGWTE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.298 177.300 -0.004 0.000 1.155 1 P CA 0.000 63.099 63.100 -0.003 0.000 0.800 1 P CB 0.000 31.698 31.700 -0.003 0.000 0.726 2 V N 0.588 120.504 119.914 0.002 0.000 2.333 2 V HA 0.418 4.539 4.120 0.002 0.000 0.274 2 V C 0.128 176.223 176.094 0.002 0.000 1.028 2 V CA 0.001 62.304 62.300 0.006 0.000 0.851 2 V CB 1.143 32.978 31.823 0.021 0.000 1.000 2 V HN 0.625 nan 8.190 nan 0.000 0.456 3 T N 6.717 121.263 114.554 -0.013 0.000 2.771 3 T HA 0.493 4.844 4.350 0.002 0.000 0.291 3 T C -0.069 174.604 174.700 -0.044 0.000 0.954 3 T CA -0.232 61.851 62.100 -0.029 0.000 1.045 3 T CB 0.625 69.469 68.868 -0.038 0.000 0.917 3 T HN 0.275 nan 8.240 nan 0.000 0.484 4 I N 4.393 124.930 120.570 -0.055 0.000 2.312 4 I HA 0.270 4.441 4.170 0.002 0.000 0.290 4 I C 0.583 176.597 176.117 -0.172 0.000 1.008 4 I CA -0.861 60.379 61.300 -0.099 0.000 1.226 4 I CB 0.592 38.554 38.000 -0.063 0.000 1.371 4 I HN 0.528 nan 8.210 nan 0.000 0.468 5 N N 5.811 124.374 118.700 -0.229 0.000 2.354 5 N HA 0.240 4.981 4.740 0.002 0.000 0.246 5 N C -0.167 174.957 175.510 -0.643 0.000 1.285 5 N CA -0.032 52.829 53.050 -0.316 0.000 0.925 5 N CB 0.821 39.201 38.487 -0.177 0.000 1.174 5 N HN 0.498 nan 8.380 nan 0.000 0.478 6 N N 0.104 118.407 118.700 -0.661 0.000 2.240 6 N HA 0.580 5.321 4.740 0.002 0.000 0.302 6 N C -1.083 174.026 175.510 -0.668 0.000 1.106 6 N CA -0.237 52.378 53.050 -0.724 0.000 0.778 6 N CB 1.819 40.126 38.487 -0.299 0.000 1.431 6 N HN 0.385 nan 8.380 nan 0.000 0.479 7 F N -1.517 118.452 119.950 0.032 0.000 2.878 7 F HA 0.424 4.952 4.527 0.002 0.000 0.322 7 F C -1.393 174.441 175.800 0.057 0.000 1.154 7 F CA -1.246 56.802 58.000 0.080 0.000 0.896 7 F CB 0.584 39.694 39.000 0.184 0.000 1.313 7 F HN 0.152 nan 8.300 nan 0.000 0.451 8 N N 0.004 118.944 118.700 0.400 0.000 2.328 8 N HA 0.208 4.949 4.740 0.002 0.000 0.299 8 N C -0.124 175.548 175.510 0.270 0.000 1.179 8 N CA -0.623 52.581 53.050 0.256 0.000 0.793 8 N CB 1.989 40.584 38.487 0.180 0.000 1.366 8 N HN 0.813 nan 8.380 nan 0.000 0.493 9 Y N 1.901 122.239 120.300 0.063 0.000 2.165 9 Y HA -0.118 4.433 4.550 0.002 0.000 0.286 9 Y C 1.510 177.567 175.900 0.261 0.000 1.155 9 Y CA 1.853 60.024 58.100 0.118 0.000 1.164 9 Y CB -0.078 38.405 38.460 0.038 0.000 0.978 9 Y HN 0.502 nan 8.280 nan 0.000 0.513 10 N N 0.760 119.553 118.700 0.154 0.000 2.571 10 N HA -0.078 4.663 4.740 0.002 0.000 0.189 10 N C -0.413 175.115 175.510 0.031 0.000 1.154 10 N CA 0.642 53.725 53.050 0.055 0.000 0.907 10 N CB -0.497 38.051 38.487 0.101 0.000 0.977 10 N HN 0.370 nan 8.380 nan 0.000 0.449 11 D N 1.684 122.136 120.400 0.086 0.000 2.423 11 D HA 0.122 4.763 4.640 0.002 0.000 0.238 11 D C -2.085 174.207 176.300 -0.013 0.000 1.142 11 D CA -0.942 53.102 54.000 0.073 0.000 0.884 11 D CB 0.301 41.195 40.800 0.157 0.000 1.199 11 D HN 0.053 nan 8.370 nan 0.000 0.438 12 P HA 0.115 nan 4.420 nan 0.000 0.268 12 P C -0.109 177.137 177.300 -0.090 0.000 1.205 12 P CA -0.121 62.946 63.100 -0.055 0.000 0.771 12 P CB 0.511 32.194 31.700 -0.028 0.000 0.858 13 I N 3.156 123.655 120.570 -0.119 0.000 2.505 13 I HA -0.022 4.149 4.170 0.002 0.000 0.287 13 I C 0.905 176.969 176.117 -0.088 0.000 1.104 13 I CA 0.548 61.764 61.300 -0.140 0.000 1.387 13 I CB 0.370 38.282 38.000 -0.146 0.000 1.404 13 I HN 0.458 nan 8.210 nan 0.000 0.528 14 D N 4.183 124.541 120.400 -0.070 0.000 2.398 14 D HA -0.016 4.625 4.640 0.002 0.000 0.210 14 D C 0.564 176.848 176.300 -0.027 0.000 1.094 14 D CA -0.191 53.788 54.000 -0.036 0.000 0.839 14 D CB 0.035 40.828 40.800 -0.012 0.000 0.963 14 D HN 0.477 nan 8.370 nan 0.000 0.506 15 N N -0.261 118.416 118.700 -0.038 0.000 2.863 15 N HA -0.225 4.516 4.740 0.002 0.000 0.245 15 N C 0.184 175.708 175.510 0.024 0.000 1.001 15 N CA 1.092 54.127 53.050 -0.025 0.000 0.901 15 N CB -1.517 36.949 38.487 -0.035 0.000 1.124 15 N HN 0.542 nan 8.380 nan 0.000 0.582 16 N N -0.371 118.360 118.700 0.053 0.000 3.170 16 N HA 0.146 4.888 4.740 0.002 0.000 0.235 16 N C 0.265 175.877 175.510 0.170 0.000 1.037 16 N CA 0.019 53.127 53.050 0.097 0.000 1.160 16 N CB 0.204 38.723 38.487 0.053 0.000 1.606 16 N HN 0.022 nan 8.380 nan 0.000 0.580 17 N N 0.385 119.142 118.700 0.095 0.000 2.254 17 N HA 0.326 5.067 4.740 0.002 0.000 0.190 17 N C -0.629 174.902 175.510 0.036 0.000 1.107 17 N CA 0.279 53.358 53.050 0.049 0.000 0.869 17 N CB 1.483 39.999 38.487 0.049 0.000 0.983 17 N HN 0.296 nan 8.380 nan 0.000 0.487 18 I N 2.105 122.678 120.570 0.005 0.000 2.560 18 I HA 0.301 4.472 4.170 0.002 0.000 0.278 18 I C -0.428 175.593 176.117 -0.162 0.000 1.089 18 I CA -0.571 60.596 61.300 -0.220 0.000 1.086 18 I CB 1.138 38.949 38.000 -0.316 0.000 1.202 18 I HN -0.118 nan 8.210 nan 0.000 0.471 19 I N 1.614 122.114 120.570 -0.117 0.000 3.449 19 I HA 0.646 4.817 4.170 0.002 0.000 0.294 19 I C -0.629 175.377 176.117 -0.186 0.000 1.163 19 I CA -1.011 60.201 61.300 -0.146 0.000 1.010 19 I CB 1.777 39.670 38.000 -0.179 0.000 1.307 19 I HN 0.224 nan 8.210 nan 0.000 0.518 20 M N 3.192 122.714 119.600 -0.129 0.000 2.027 20 M HA 0.423 4.904 4.480 0.002 0.000 0.329 20 M C -0.654 175.703 176.300 0.095 0.000 0.971 20 M CA -0.449 54.829 55.300 -0.036 0.000 0.933 20 M CB 0.866 33.403 32.600 -0.105 0.000 1.392 20 M HN 0.713 nan 8.290 nan 0.000 0.394 21 M N 2.059 121.702 119.600 0.071 0.000 2.288 21 M HA 0.246 4.727 4.480 0.002 0.000 0.334 21 M C -0.131 176.247 176.300 0.131 0.000 1.150 21 M CA 0.081 55.396 55.300 0.026 0.000 1.118 21 M CB 1.047 33.522 32.600 -0.208 0.000 1.501 21 M HN 0.607 nan 8.290 nan 0.000 0.462 22 E N 5.238 125.416 120.200 -0.038 0.000 2.121 22 E HA 0.414 4.765 4.350 0.002 0.000 0.255 22 E C -2.462 174.046 176.600 -0.153 0.000 0.906 22 E CA -2.200 54.018 56.400 -0.302 0.000 0.745 22 E CB 0.914 30.391 29.700 -0.372 0.000 1.155 22 E HN 0.362 nan 8.360 nan 0.000 0.424 23 P HA -0.023 nan 4.420 nan 0.000 0.265 23 P C -2.223 174.950 177.300 -0.212 0.000 1.187 23 P CA -0.849 62.153 63.100 -0.164 0.000 0.766 23 P CB 0.454 32.056 31.700 -0.164 0.000 0.820 24 P HA -0.155 nan 4.420 nan 0.000 0.216 24 P C 0.756 177.971 177.300 -0.142 0.000 1.150 24 P CA 1.574 64.531 63.100 -0.237 0.000 0.843 24 P CB -0.227 31.238 31.700 -0.391 0.000 0.787 25 F N -1.862 117.820 119.950 -0.446 0.000 2.773 25 F HA 0.198 4.726 4.527 0.002 0.000 0.304 25 F C 1.998 177.653 175.800 -0.242 0.000 1.129 25 F CA -0.343 57.388 58.000 -0.448 0.000 1.378 25 F CB -0.037 38.485 39.000 -0.798 0.000 1.095 25 F HN -0.069 nan 8.300 nan 0.000 0.565 26 A N 0.434 123.251 122.820 -0.004 0.000 2.169 26 A HA 0.021 4.342 4.320 0.002 0.000 0.212 26 A C 1.346 178.913 177.584 -0.029 0.000 1.153 26 A CA 0.081 52.163 52.037 0.075 0.000 0.756 26 A CB -0.315 18.696 19.000 0.019 0.000 0.813 26 A HN 0.440 nan 8.150 nan 0.000 0.471 27 R N -2.372 118.114 120.500 -0.024 0.000 3.531 27 R HA -0.203 4.138 4.340 0.002 0.000 0.280 27 R C 0.957 177.031 176.300 -0.376 0.000 1.130 27 R CA 0.409 56.481 56.100 -0.047 0.000 0.757 27 R CB -2.503 27.787 30.300 -0.016 0.000 1.218 27 R HN 1.529 nan 8.270 nan 0.000 0.454 28 G N -0.970 107.371 108.800 -0.766 0.000 2.166 28 G HA2 -0.421 3.540 3.960 0.002 0.000 0.260 28 G HA3 -0.421 3.540 3.960 0.002 0.000 0.260 28 G C 0.310 174.722 174.900 -0.813 0.000 0.986 28 G CA 1.407 45.453 45.100 -1.757 0.000 0.683 28 G HN 0.853 nan 8.290 nan 0.000 0.527 29 T N -3.573 110.723 114.554 -0.431 0.000 2.633 29 T HA 0.912 5.263 4.350 0.002 0.000 0.262 29 T C 1.261 175.868 174.700 -0.155 0.000 0.920 29 T CA 0.577 62.536 62.100 -0.235 0.000 1.062 29 T CB 1.678 70.456 68.868 -0.150 0.000 1.390 29 T HN 2.202 nan 8.240 nan 0.000 0.549 30 G N 0.964 109.721 108.800 -0.073 0.000 2.806 30 G HA2 0.012 3.974 3.960 0.002 0.000 0.236 30 G HA3 0.012 3.974 3.960 0.002 0.000 0.236 30 G C -0.382 174.500 174.900 -0.031 0.000 1.387 30 G CA 0.226 45.308 45.100 -0.030 0.000 0.884 30 G HN 0.935 nan 8.290 nan 0.000 0.560 31 R N -1.014 119.481 120.500 -0.007 0.000 2.583 31 R HA 0.658 5.000 4.340 0.002 0.000 0.268 31 R C -0.045 176.269 176.300 0.024 0.000 1.101 31 R CA -0.582 55.542 56.100 0.040 0.000 1.180 31 R CB -0.138 30.140 30.300 -0.036 0.000 1.128 31 R HN 0.522 nan 8.270 nan 0.000 0.568 32 Y N 0.424 120.725 120.300 0.002 0.000 2.392 32 Y HA 0.345 4.896 4.550 0.002 0.000 0.323 32 Y C -0.504 175.435 175.900 0.066 0.000 1.291 32 Y CA 0.087 58.256 58.100 0.116 0.000 1.345 32 Y CB 0.791 39.273 38.460 0.038 0.000 1.320 32 Y HN 0.378 nan 8.280 nan 0.000 0.518 33 Y N -0.089 120.307 120.300 0.160 0.000 2.391 33 Y HA 0.311 4.862 4.550 0.002 0.000 0.341 33 Y C -0.122 175.812 175.900 0.058 0.000 0.965 33 Y CA -1.843 56.330 58.100 0.122 0.000 1.067 33 Y CB 1.538 40.090 38.460 0.152 0.000 1.199 33 Y HN 0.360 nan 8.280 nan 0.000 0.450 34 K N 2.570 123.082 120.400 0.185 0.000 2.382 34 K HA 0.532 4.853 4.320 0.002 0.000 0.286 34 K C -0.591 176.033 176.600 0.041 0.000 1.062 34 K CA 0.096 56.378 56.287 -0.007 0.000 1.000 34 K CB -0.013 32.451 32.500 -0.060 0.000 0.954 34 K HN 0.797 nan 8.250 nan 0.000 0.470 35 A N 4.565 127.297 122.820 -0.147 0.000 2.355 35 A HA 0.697 5.018 4.320 0.002 0.000 0.324 35 A C -1.362 176.145 177.584 -0.128 0.000 1.117 35 A CA -0.760 51.295 52.037 0.031 0.000 0.785 35 A CB 0.559 19.548 19.000 -0.017 0.000 1.254 35 A HN 0.590 nan 8.150 nan 0.000 0.453 36 F N 0.659 120.681 119.950 0.120 0.000 2.520 36 F HA 0.457 4.985 4.527 0.002 0.000 0.322 36 F C 0.585 176.291 175.800 -0.156 0.000 1.103 36 F CA -0.797 57.065 58.000 -0.230 0.000 0.926 36 F CB 2.212 40.668 39.000 -0.906 0.000 1.154 36 F HN 0.534 nan 8.300 nan 0.000 0.453 37 K N 4.324 124.546 120.400 -0.298 0.000 2.150 37 K HA 0.232 4.553 4.320 0.002 0.000 0.261 37 K C 1.225 177.734 176.600 -0.150 0.000 1.127 37 K CA -0.006 55.832 56.287 -0.748 0.000 0.989 37 K CB 0.072 31.882 32.500 -1.151 0.000 1.475 37 K HN 0.901 nan 8.250 nan 0.000 0.391 38 I N 2.182 122.705 120.570 -0.077 0.000 2.361 38 I HA -0.205 3.966 4.170 0.002 0.000 0.251 38 I C 0.554 176.539 176.117 -0.219 0.000 1.133 38 I CA 1.376 62.628 61.300 -0.079 0.000 1.413 38 I CB 0.294 38.061 38.000 -0.388 0.000 1.073 38 I HN 0.654 nan 8.210 nan 0.000 0.424 39 T N -3.267 111.132 114.554 -0.258 0.000 2.769 39 T HA 0.210 4.561 4.350 0.002 0.000 0.306 39 T C -0.905 173.664 174.700 -0.217 0.000 1.400 39 T CA -1.006 60.986 62.100 -0.179 0.000 1.007 39 T CB 1.257 70.077 68.868 -0.080 0.000 1.392 39 T HN -0.100 nan 8.240 nan 0.000 0.500 40 D N 1.594 121.911 120.400 -0.139 0.000 2.525 40 D HA 0.162 4.803 4.640 0.002 0.000 0.235 40 D C 0.971 177.214 176.300 -0.095 0.000 1.137 40 D CA 0.527 54.456 54.000 -0.119 0.000 0.868 40 D CB 0.302 41.066 40.800 -0.060 0.000 1.180 40 D HN 0.625 nan 8.370 nan 0.000 0.465 41 R N 0.350 120.815 120.500 -0.059 0.000 4.024 41 R HA -0.211 4.130 4.340 0.002 0.000 0.391 41 R C -0.265 176.069 176.300 0.058 0.000 1.157 41 R CA 0.767 56.903 56.100 0.060 0.000 1.215 41 R CB -2.031 28.308 30.300 0.064 0.000 1.738 41 R HN 0.566 nan 8.270 nan 0.000 0.566 42 I N 0.118 120.603 120.570 -0.141 0.000 2.447 42 I HA 0.315 4.487 4.170 0.002 0.000 0.287 42 I C -0.306 175.642 176.117 -0.282 0.000 1.023 42 I CA -0.673 60.585 61.300 -0.070 0.000 1.083 42 I CB 1.287 39.287 38.000 -0.000 0.000 1.245 42 I HN -0.124 nan 8.210 nan 0.000 0.434 43 W N 6.683 127.987 121.300 0.007 0.000 2.689 43 W HA 0.602 5.263 4.660 0.002 0.000 0.340 43 W C -0.588 175.926 176.519 -0.008 0.000 1.060 43 W CA -0.614 56.727 57.345 -0.008 0.000 1.218 43 W CB 1.283 30.721 29.460 -0.037 0.000 1.410 43 W HN 0.049 nan 8.180 nan 0.000 0.528 44 I N 4.149 124.885 120.570 0.276 0.000 2.389 44 I HA 0.363 4.534 4.170 0.002 0.000 0.288 44 I C -0.463 175.821 176.117 0.278 0.000 0.999 44 I CA -1.226 60.217 61.300 0.239 0.000 1.129 44 I CB 1.074 39.207 38.000 0.222 0.000 1.288 44 I HN 0.376 nan 8.210 nan 0.000 0.444 45 I N 8.333 128.975 120.570 0.120 0.000 2.428 45 I HA 0.214 4.386 4.170 0.002 0.000 0.279 45 I C -1.954 174.239 176.117 0.127 0.000 1.040 45 I CA -1.566 59.797 61.300 0.105 0.000 1.171 45 I CB 1.963 39.808 38.000 -0.258 0.000 1.312 45 I HN 0.256 nan 8.210 nan 0.000 0.470 46 P HA 0.129 nan 4.420 nan 0.000 0.235 46 P C -0.485 176.661 177.300 -0.258 0.000 1.720 46 P CA 0.487 63.428 63.100 -0.265 0.000 1.003 46 P CB 0.003 31.639 31.700 -0.106 0.000 1.968 47 E N 0.721 120.874 120.200 -0.078 0.000 2.408 47 E HA 0.355 4.706 4.350 0.002 0.000 0.275 47 E C -0.211 176.479 176.600 0.150 0.000 0.935 47 E CA -1.136 55.293 56.400 0.050 0.000 0.775 47 E CB 1.729 31.599 29.700 0.283 0.000 1.277 47 E HN 0.072 nan 8.360 nan 0.000 0.455 48 R N 1.021 121.579 120.500 0.096 0.000 2.623 48 R HA 0.059 4.400 4.340 0.002 0.000 0.271 48 R C -0.494 175.952 176.300 0.243 0.000 1.043 48 R CA 0.081 56.281 56.100 0.167 0.000 1.083 48 R CB -0.151 30.161 30.300 0.019 0.000 0.974 48 R HN 0.507 nan 8.270 nan 0.000 0.436 49 Y N 1.421 121.828 120.300 0.179 0.000 2.393 49 Y HA -0.003 4.548 4.550 0.002 0.000 0.338 49 Y C 1.250 177.244 175.900 0.157 0.000 1.029 49 Y CA 0.597 58.750 58.100 0.088 0.000 1.239 49 Y CB 0.809 39.344 38.460 0.124 0.000 1.170 49 Y HN 0.699 nan 8.280 nan 0.000 0.515 50 T N 1.366 115.728 114.554 -0.320 0.000 2.975 50 T HA 0.226 4.577 4.350 0.002 0.000 0.261 50 T C 0.011 174.652 174.700 -0.099 0.000 0.984 50 T CA -0.276 61.801 62.100 -0.037 0.000 0.911 50 T CB -0.557 68.186 68.868 -0.208 0.000 1.127 50 T HN 0.303 nan 8.240 nan 0.000 0.514 51 F N 2.926 122.781 119.950 -0.158 0.000 2.571 51 F HA 0.451 4.978 4.527 0.001 0.000 0.390 51 F C 1.829 177.646 175.800 0.029 0.000 1.043 51 F CA 1.013 58.943 58.000 -0.117 0.000 1.164 51 F CB -0.209 38.636 39.000 -0.259 0.000 1.049 51 F HN 0.377 nan 8.300 nan 0.000 0.552 52 G N 2.062 110.901 108.800 0.065 0.000 2.195 52 G HA2 -0.297 3.664 3.960 0.002 0.000 0.246 52 G HA3 -0.297 3.664 3.960 0.002 0.000 0.246 52 G C -0.329 174.491 174.900 -0.134 0.000 0.984 52 G CA -0.515 44.498 45.100 -0.145 0.000 0.633 52 G HN 0.578 nan 8.290 nan 0.000 0.525 53 Y N 0.778 121.218 120.300 0.234 0.000 2.420 53 Y HA 0.650 5.201 4.550 0.001 0.000 0.334 53 Y C 0.790 176.822 175.900 0.221 0.000 1.094 53 Y CA -0.900 57.339 58.100 0.232 0.000 1.126 53 Y CB 1.288 39.828 38.460 0.133 0.000 1.217 53 Y HN -0.042 nan 8.280 nan 0.000 0.462 54 K N 3.189 123.827 120.400 0.397 0.000 2.143 54 K HA 0.232 4.553 4.320 0.002 0.000 0.272 54 K C -2.051 174.769 176.600 0.367 0.000 1.001 54 K CA -1.665 54.793 56.287 0.285 0.000 0.915 54 K CB 1.087 33.708 32.500 0.202 0.000 1.047 54 K HN 0.300 nan 8.250 nan 0.000 0.458 55 P HA -0.305 nan 4.420 nan 0.000 0.218 55 P C 0.967 178.455 177.300 0.314 0.000 1.154 55 P CA 1.467 64.718 63.100 0.252 0.000 0.872 55 P CB 0.186 31.941 31.700 0.091 0.000 0.790 56 E N -0.857 119.474 120.200 0.219 0.000 2.274 56 E HA -0.182 4.169 4.350 0.002 0.000 0.194 56 E C 1.094 177.811 176.600 0.193 0.000 0.996 56 E CA 1.084 57.585 56.400 0.168 0.000 0.840 56 E CB -1.058 28.698 29.700 0.094 0.000 0.772 56 E HN 0.234 nan 8.360 nan 0.000 0.491 57 D N 0.677 121.226 120.400 0.248 0.000 2.265 57 D HA -0.122 4.519 4.640 0.002 0.000 0.208 57 D C 1.248 177.662 176.300 0.189 0.000 0.977 57 D CA 0.716 54.853 54.000 0.229 0.000 0.871 57 D CB -0.394 40.650 40.800 0.406 0.000 0.925 57 D HN 0.250 nan 8.370 nan 0.000 0.485 58 F N 0.688 120.742 119.950 0.173 0.000 2.699 58 F HA 0.002 4.530 4.527 0.002 0.000 0.298 58 F C 1.121 177.013 175.800 0.152 0.000 1.154 58 F CA 0.340 58.426 58.000 0.144 0.000 1.457 58 F CB -0.060 38.963 39.000 0.038 0.000 1.106 58 F HN -0.196 nan 8.300 nan 0.000 0.585 59 N N 0.861 119.678 118.700 0.196 0.000 2.487 59 N HA 0.067 4.808 4.740 0.002 0.000 0.292 59 N C -0.117 175.271 175.510 -0.203 0.000 1.108 59 N CA -0.562 52.517 53.050 0.049 0.000 0.956 59 N CB 1.013 39.517 38.487 0.029 0.000 1.176 59 N HN -0.162 nan 8.380 nan 0.000 0.484 60 K N 1.271 121.522 120.400 -0.248 0.000 2.448 60 K HA 0.069 4.390 4.320 0.002 0.000 0.278 60 K C -0.010 176.381 176.600 -0.350 0.000 1.009 60 K CA 0.339 56.322 56.287 -0.508 0.000 0.995 60 K CB 0.199 32.602 32.500 -0.160 0.000 0.917 60 K HN 0.829 nan 8.250 nan 0.000 0.481 61 S N 0.876 116.327 115.700 -0.415 0.000 2.911 61 S HA 0.271 4.742 4.470 0.002 0.000 0.319 61 S C 0.436 174.930 174.600 -0.178 0.000 1.154 61 S CA -0.129 57.931 58.200 -0.233 0.000 0.857 61 S CB 0.788 63.861 63.200 -0.212 0.000 1.279 61 S HN 0.486 nan 8.310 nan 0.000 0.593 62 S N -0.700 114.927 115.700 -0.120 0.000 2.634 62 S HA 0.462 4.933 4.470 0.002 0.000 0.221 62 S C 0.741 175.299 174.600 -0.071 0.000 0.952 62 S CA -0.092 58.062 58.200 -0.077 0.000 0.930 62 S CB -0.788 62.380 63.200 -0.052 0.000 0.780 62 S HN 1.152 nan 8.310 nan 0.000 0.498 63 G N 1.105 109.832 108.800 -0.120 0.000 2.735 63 G HA2 0.747 4.708 3.960 0.002 0.000 0.301 63 G HA3 0.747 4.708 3.960 0.002 0.000 0.301 63 G C -0.984 173.843 174.900 -0.120 0.000 1.279 63 G CA -0.962 44.064 45.100 -0.123 0.000 1.019 63 G HN 0.593 nan 8.290 nan 0.000 0.497 64 I N -4.514 115.981 120.570 -0.124 0.000 3.004 64 I HA 0.589 4.760 4.170 0.002 0.000 0.305 64 I C -0.501 175.547 176.117 -0.115 0.000 1.312 64 I CA -1.052 60.236 61.300 -0.020 0.000 0.992 64 I CB 1.425 39.475 38.000 0.083 0.000 1.282 64 I HN 0.401 nan 8.210 nan 0.000 0.449 65 F N 0.401 120.399 119.950 0.080 0.000 2.243 65 F HA 0.261 4.789 4.527 0.001 0.000 0.287 65 F C 1.206 177.000 175.800 -0.010 0.000 1.067 65 F CA 0.872 58.896 58.000 0.041 0.000 1.304 65 F CB 0.226 39.250 39.000 0.039 0.000 1.087 65 F HN 0.598 nan 8.300 nan 0.000 0.513 66 N N 0.411 119.218 118.700 0.179 0.000 2.417 66 N HA 0.170 4.911 4.740 0.002 0.000 0.274 66 N C 0.537 176.059 175.510 0.020 0.000 0.987 66 N CA -0.147 52.944 53.050 0.068 0.000 0.912 66 N CB 1.313 39.833 38.487 0.055 0.000 1.177 66 N HN 0.082 nan 8.380 nan 0.000 0.490 67 R N 1.314 121.770 120.500 -0.072 0.000 2.193 67 R HA -0.022 4.319 4.340 0.002 0.000 0.229 67 R C -0.026 176.346 176.300 0.119 0.000 1.110 67 R CA 0.903 56.934 56.100 -0.115 0.000 0.988 67 R CB 0.277 30.359 30.300 -0.364 0.000 0.871 67 R HN 0.525 nan 8.270 nan 0.000 0.458 68 D N 0.204 120.653 120.400 0.081 0.000 2.615 68 D HA 0.136 4.777 4.640 0.002 0.000 0.236 68 D C -1.043 175.286 176.300 0.048 0.000 1.233 68 D CA 0.209 54.260 54.000 0.085 0.000 0.829 68 D CB 0.710 41.544 40.800 0.056 0.000 1.024 68 D HN -0.135 nan 8.370 nan 0.000 0.490 69 V N 0.519 120.474 119.914 0.068 0.000 2.888 69 V HA 0.174 4.296 4.120 0.002 0.000 0.309 69 V C -0.108 176.035 176.094 0.081 0.000 1.114 69 V CA -1.117 61.212 62.300 0.049 0.000 0.940 69 V CB 2.320 34.158 31.823 0.025 0.000 1.021 69 V HN 0.122 nan 8.190 nan 0.000 0.426 70 C N 4.234 123.577 119.300 0.073 0.000 2.252 70 C HA 0.382 4.843 4.460 0.002 0.000 0.342 70 C C 0.611 175.665 174.990 0.105 0.000 1.110 70 C CA -0.419 58.657 59.018 0.097 0.000 1.581 70 C CB -1.568 26.222 27.740 0.084 0.000 2.087 70 C HN 0.914 nan 8.230 nan 0.000 0.500 71 E N 4.211 124.494 120.200 0.138 0.000 2.259 71 E HA 0.152 4.503 4.350 0.002 0.000 0.281 71 E C -1.027 175.683 176.600 0.183 0.000 1.037 71 E CA -0.028 56.435 56.400 0.104 0.000 0.854 71 E CB 0.985 30.770 29.700 0.143 0.000 1.051 71 E HN 0.725 nan 8.360 nan 0.000 0.409 72 Y N 3.565 123.797 120.300 -0.113 0.000 2.342 72 Y HA 0.292 4.843 4.550 0.001 0.000 0.334 72 Y C -1.475 174.272 175.900 -0.256 0.000 1.067 72 Y CA -1.038 57.023 58.100 -0.064 0.000 1.128 72 Y CB 0.605 39.001 38.460 -0.107 0.000 1.200 72 Y HN 0.378 nan 8.280 nan 0.000 0.464 73 Y N 3.739 123.579 120.300 -0.766 0.000 2.409 73 Y HA 0.439 4.990 4.550 0.001 0.000 0.343 73 Y C -0.799 174.568 175.900 -0.887 0.000 0.973 73 Y CA -1.204 56.518 58.100 -0.629 0.000 1.064 73 Y CB 1.979 40.285 38.460 -0.257 0.000 1.207 73 Y HN 0.597 nan 8.280 nan 0.000 0.452 74 D N 3.846 123.955 120.400 -0.485 0.000 2.362 74 D HA 0.190 4.831 4.640 0.002 0.000 0.232 74 D C -2.372 173.865 176.300 -0.104 0.000 1.329 74 D CA -1.501 52.275 54.000 -0.374 0.000 0.944 74 D CB 1.438 41.939 40.800 -0.498 0.000 1.471 74 D HN 0.177 nan 8.370 nan 0.000 0.533 75 P HA -0.033 nan 4.420 nan 0.000 0.228 75 P C 0.179 177.483 177.300 0.006 0.000 1.151 75 P CA 0.606 63.739 63.100 0.054 0.000 0.770 75 P CB 0.510 32.251 31.700 0.068 0.000 0.786 76 D N -1.718 118.689 120.400 0.011 0.000 2.349 76 D HA -0.043 4.598 4.640 0.002 0.000 0.215 76 D C 0.610 176.942 176.300 0.053 0.000 1.016 76 D CA -0.039 53.970 54.000 0.015 0.000 0.870 76 D CB -0.557 40.254 40.800 0.017 0.000 0.917 76 D HN 0.212 nan 8.370 nan 0.000 0.524 77 Y N 1.808 122.082 120.300 -0.043 0.000 2.620 77 Y HA -0.015 4.536 4.550 0.002 0.000 0.330 77 Y C 1.245 177.124 175.900 -0.035 0.000 1.186 77 Y CA 0.015 58.110 58.100 -0.008 0.000 1.467 77 Y CB 0.173 38.621 38.460 -0.020 0.000 1.262 77 Y HN -0.044 nan 8.280 nan 0.000 0.550 78 L N 3.730 124.651 121.223 -0.503 0.000 4.040 78 L HA -0.384 3.957 4.340 0.002 0.000 0.410 78 L C 0.739 177.465 176.870 -0.240 0.000 1.187 78 L CA 0.879 55.461 54.840 -0.429 0.000 0.956 78 L CB -1.400 40.378 42.059 -0.467 0.000 2.022 78 L HN 0.812 nan 8.230 nan 0.000 0.897 79 N N -0.338 118.265 118.700 -0.160 0.000 2.314 79 N HA 0.039 4.780 4.740 0.002 0.000 0.200 79 N C 0.344 175.793 175.510 -0.102 0.000 1.135 79 N CA 0.686 53.665 53.050 -0.118 0.000 0.835 79 N CB 0.259 38.698 38.487 -0.080 0.000 0.989 79 N HN 0.554 nan 8.380 nan 0.000 0.478 80 T N -4.118 110.361 114.554 -0.124 0.000 2.883 80 T HA 0.376 4.727 4.350 0.002 0.000 0.301 80 T C 0.401 175.018 174.700 -0.139 0.000 1.158 80 T CA -0.728 61.316 62.100 -0.093 0.000 1.007 80 T CB 1.379 70.212 68.868 -0.058 0.000 1.186 80 T HN -0.233 nan 8.240 nan 0.000 0.499 81 N N 0.746 119.395 118.700 -0.084 0.000 2.104 81 N HA -0.084 4.657 4.740 0.002 0.000 0.190 81 N C 1.379 176.823 175.510 -0.110 0.000 1.024 81 N CA 1.699 54.693 53.050 -0.093 0.000 0.853 81 N CB -0.424 38.126 38.487 0.106 0.000 1.008 81 N HN 0.866 nan 8.380 nan 0.000 0.424 82 D N 0.162 120.535 120.400 -0.044 0.000 2.144 82 D HA -0.076 4.565 4.640 0.002 0.000 0.199 82 D C 1.508 177.770 176.300 -0.065 0.000 0.984 82 D CA 1.133 55.118 54.000 -0.025 0.000 0.834 82 D CB 0.154 40.953 40.800 -0.002 0.000 0.955 82 D HN 0.186 nan 8.370 nan 0.000 0.465 83 K N -0.137 120.197 120.400 -0.110 0.000 2.097 83 K HA -0.081 4.240 4.320 0.002 0.000 0.205 83 K C 2.134 178.623 176.600 -0.185 0.000 1.050 83 K CA 0.883 57.085 56.287 -0.141 0.000 0.938 83 K CB 0.088 32.474 32.500 -0.190 0.000 0.718 83 K HN 0.116 nan 8.250 nan 0.000 0.442 84 K N 0.681 120.899 120.400 -0.303 0.000 2.057 84 K HA -0.119 4.202 4.320 0.002 0.000 0.206 84 K C 1.962 178.433 176.600 -0.214 0.000 1.050 84 K CA 1.094 57.128 56.287 -0.421 0.000 0.935 84 K CB -0.153 31.749 32.500 -0.996 0.000 0.715 84 K HN 0.211 nan 8.250 nan 0.000 0.439 85 N N 1.240 119.850 118.700 -0.151 0.000 2.188 85 N HA -0.130 4.611 4.740 0.002 0.000 0.184 85 N C 1.827 177.361 175.510 0.039 0.000 1.018 85 N CA 0.838 53.893 53.050 0.009 0.000 0.858 85 N CB 0.055 38.587 38.487 0.074 0.000 0.989 85 N HN 0.114 nan 8.380 nan 0.000 0.426 86 I N 0.266 120.855 120.570 0.031 0.000 2.361 86 I HA -0.252 3.919 4.170 0.002 0.000 0.251 86 I C 2.093 178.262 176.117 0.087 0.000 1.133 86 I CA 0.836 62.167 61.300 0.051 0.000 1.413 86 I CB -0.360 37.665 38.000 0.041 0.000 1.073 86 I HN 0.135 nan 8.210 nan 0.000 0.424 87 F N 1.568 121.490 119.950 -0.045 0.000 2.075 87 F HA -0.210 4.318 4.527 0.002 0.000 0.297 87 F C 2.280 178.099 175.800 0.032 0.000 1.113 87 F CA 1.669 59.673 58.000 0.008 0.000 1.218 87 F CB -0.241 38.735 39.000 -0.040 0.000 0.984 87 F HN -0.143 nan 8.300 nan 0.000 0.472 88 L N -0.055 121.270 121.223 0.169 0.000 2.013 88 L HA -0.289 4.052 4.340 0.002 0.000 0.212 88 L C 2.622 179.507 176.870 0.025 0.000 1.073 88 L CA 1.273 56.157 54.840 0.073 0.000 0.753 88 L CB -0.801 41.255 42.059 -0.006 0.000 0.890 88 L HN 0.197 nan 8.230 nan 0.000 0.432 89 Q N -0.756 119.059 119.800 0.024 0.000 2.170 89 Q HA -0.146 4.195 4.340 0.002 0.000 0.203 89 Q C 2.184 178.180 176.000 -0.007 0.000 0.976 89 Q CA 1.918 57.726 55.803 0.008 0.000 0.858 89 Q CB -0.825 27.926 28.738 0.021 0.000 0.907 89 Q HN 0.513 nan 8.270 nan 0.000 0.433 90 T N 1.047 115.582 114.554 -0.032 0.000 2.809 90 T HA -0.030 4.321 4.350 0.002 0.000 0.260 90 T C 1.854 176.534 174.700 -0.033 0.000 1.039 90 T CA 0.859 62.935 62.100 -0.039 0.000 1.141 90 T CB -0.018 68.807 68.868 -0.071 0.000 0.869 90 T HN 0.096 nan 8.240 nan 0.000 0.437 91 M N 0.984 120.517 119.600 -0.113 0.000 2.108 91 M HA 0.023 4.504 4.480 0.002 0.000 0.261 91 M C 2.333 178.673 176.300 0.066 0.000 1.066 91 M CA 1.337 56.619 55.300 -0.031 0.000 1.107 91 M CB -1.317 31.212 32.600 -0.118 0.000 1.356 91 M HN 0.259 nan 8.290 nan 0.000 0.406 92 I N -0.295 120.264 120.570 -0.019 0.000 2.208 92 I HA -0.332 3.839 4.170 0.002 0.000 0.245 92 I C 2.579 178.724 176.117 0.047 0.000 1.097 92 I CA 1.332 62.605 61.300 -0.044 0.000 1.363 92 I CB -0.452 37.482 38.000 -0.109 0.000 1.051 92 I HN 0.353 nan 8.210 nan 0.000 0.413 93 K N 1.149 121.581 120.400 0.054 0.000 2.097 93 K HA -0.120 4.201 4.320 0.002 0.000 0.205 93 K C 2.150 178.830 176.600 0.133 0.000 1.050 93 K CA 1.039 57.376 56.287 0.083 0.000 0.938 93 K CB 0.057 32.610 32.500 0.088 0.000 0.718 93 K HN 0.267 nan 8.250 nan 0.000 0.442 94 L N -0.121 121.197 121.223 0.157 0.000 2.093 94 L HA -0.128 4.213 4.340 0.002 0.000 0.208 94 L C 2.115 179.048 176.870 0.105 0.000 1.085 94 L CA 0.903 55.831 54.840 0.146 0.000 0.755 94 L CB -0.335 41.796 42.059 0.120 0.000 0.904 94 L HN 0.135 nan 8.230 nan 0.000 0.435 95 F N 0.454 120.379 119.950 -0.041 0.000 2.146 95 F HA -0.167 4.361 4.527 0.002 0.000 0.298 95 F C 2.530 178.314 175.800 -0.027 0.000 1.096 95 F CA 1.167 59.136 58.000 -0.051 0.000 1.275 95 F CB -0.531 38.433 39.000 -0.061 0.000 1.008 95 F HN 0.131 nan 8.300 nan 0.000 0.480 96 N N 0.121 118.920 118.700 0.164 0.000 2.120 96 N HA -0.204 4.537 4.740 0.002 0.000 0.188 96 N C 2.090 177.640 175.510 0.065 0.000 1.024 96 N CA 1.129 54.230 53.050 0.085 0.000 0.852 96 N CB -0.410 38.107 38.487 0.050 0.000 1.003 96 N HN 0.268 nan 8.380 nan 0.000 0.424 97 R N 1.100 121.639 120.500 0.066 0.000 2.096 97 R HA 0.001 4.342 4.340 0.002 0.000 0.235 97 R C 2.268 178.635 176.300 0.113 0.000 1.127 97 R CA 0.849 56.988 56.100 0.064 0.000 0.968 97 R CB -0.210 30.119 30.300 0.049 0.000 0.861 97 R HN 0.150 nan 8.270 nan 0.000 0.440 98 I N 1.721 122.306 120.570 0.025 0.000 2.127 98 I HA -0.314 3.857 4.170 0.002 0.000 0.241 98 I C 2.115 178.294 176.117 0.104 0.000 1.075 98 I CA 1.899 63.180 61.300 -0.031 0.000 1.334 98 I CB -0.323 37.536 38.000 -0.236 0.000 1.040 98 I HN 0.291 nan 8.210 nan 0.000 0.405 99 K N 0.973 121.410 120.400 0.062 0.000 2.525 99 K HA -0.003 4.318 4.320 0.002 0.000 0.192 99 K C 1.720 178.361 176.600 0.070 0.000 1.029 99 K CA 1.067 57.394 56.287 0.068 0.000 1.029 99 K CB -0.206 32.322 32.500 0.048 0.000 0.814 99 K HN 0.285 nan 8.250 nan 0.000 0.503 100 S N 0.263 116.018 115.700 0.091 0.000 2.507 100 S HA -0.035 4.436 4.470 0.002 0.000 0.235 100 S C 0.301 174.883 174.600 -0.030 0.000 0.988 100 S CA 0.131 58.351 58.200 0.035 0.000 0.944 100 S CB -0.149 63.074 63.200 0.040 0.000 0.762 100 S HN 0.325 nan 8.310 nan 0.000 0.526 101 K N 0.599 120.983 120.400 -0.026 0.000 2.426 101 K HA 0.404 4.725 4.320 0.002 0.000 0.251 101 K C -2.448 174.141 176.600 -0.020 0.000 0.941 101 K CA -2.537 53.657 56.287 -0.155 0.000 0.808 101 K CB 1.953 34.093 32.500 -0.601 0.000 1.265 101 K HN -0.241 nan 8.250 nan 0.000 0.432 102 P HA -0.254 nan 4.420 nan 0.000 0.215 102 P C 1.263 178.612 177.300 0.080 0.000 1.163 102 P CA 0.960 64.072 63.100 0.019 0.000 0.894 102 P CB 0.201 31.899 31.700 -0.003 0.000 0.791 103 L N -0.215 121.066 121.223 0.097 0.000 1.971 103 L HA -0.148 4.193 4.340 0.002 0.000 0.215 103 L C 2.352 179.391 176.870 0.283 0.000 1.072 103 L CA 2.700 57.661 54.840 0.201 0.000 0.758 103 L CB -1.768 40.419 42.059 0.213 0.000 0.889 103 L HN 0.007 nan 8.230 nan 0.000 0.433 104 G N -1.531 107.465 108.800 0.327 0.000 2.442 104 G HA2 -0.341 3.620 3.960 0.002 0.000 0.219 104 G HA3 -0.341 3.620 3.960 0.002 0.000 0.219 104 G C 1.513 176.457 174.900 0.074 0.000 1.141 104 G CA 0.864 46.086 45.100 0.202 0.000 0.763 104 G HN 0.591 nan 8.290 nan 0.000 0.554 105 E N 0.354 120.609 120.200 0.092 0.000 2.072 105 E HA -0.113 4.238 4.350 0.002 0.000 0.191 105 E C 2.387 179.002 176.600 0.025 0.000 0.985 105 E CA 0.996 57.420 56.400 0.041 0.000 0.801 105 E CB -0.110 29.615 29.700 0.043 0.000 0.750 105 E HN 0.370 nan 8.360 nan 0.000 0.452 106 K N 0.228 120.673 120.400 0.075 0.000 2.103 106 K HA -0.175 4.146 4.320 0.002 0.000 0.207 106 K C 2.248 178.827 176.600 -0.034 0.000 1.048 106 K CA 1.041 57.380 56.287 0.087 0.000 0.930 106 K CB -0.203 32.422 32.500 0.208 0.000 0.716 106 K HN 0.165 nan 8.250 nan 0.000 0.444 107 L N 1.399 122.541 121.223 -0.134 0.000 2.017 107 L HA -0.150 4.191 4.340 0.002 0.000 0.208 107 L C 1.857 178.529 176.870 -0.330 0.000 1.073 107 L CA 1.542 56.050 54.840 -0.554 0.000 0.745 107 L CB -0.369 41.391 42.059 -0.499 0.000 0.894 107 L HN 0.110 nan 8.230 nan 0.000 0.432 108 L N -0.668 120.445 121.223 -0.183 0.000 2.046 108 L HA -0.194 4.147 4.340 0.002 0.000 0.208 108 L C 2.553 179.382 176.870 -0.069 0.000 1.077 108 L CA 1.458 56.228 54.840 -0.116 0.000 0.747 108 L CB -0.510 41.513 42.059 -0.060 0.000 0.896 108 L HN 0.362 nan 8.230 nan 0.000 0.432 109 E N -0.566 119.602 120.200 -0.054 0.000 2.110 109 E HA -0.216 4.135 4.350 0.002 0.000 0.193 109 E C 2.287 178.868 176.600 -0.031 0.000 0.988 109 E CA 1.040 57.423 56.400 -0.028 0.000 0.804 109 E CB -0.015 29.680 29.700 -0.007 0.000 0.745 109 E HN 0.376 nan 8.360 nan 0.000 0.458 110 M N 0.173 119.733 119.600 -0.066 0.000 2.175 110 M HA -0.107 4.375 4.480 0.002 0.000 0.264 110 M C 2.287 178.611 176.300 0.040 0.000 1.063 110 M CA 1.281 56.566 55.300 -0.025 0.000 1.119 110 M CB -0.592 31.903 32.600 -0.175 0.000 1.377 110 M HN 0.167 nan 8.290 nan 0.000 0.415 111 I N -0.200 120.345 120.570 -0.042 0.000 2.286 111 I HA -0.266 3.905 4.170 0.002 0.000 0.245 111 I C 2.302 178.417 176.117 -0.003 0.000 1.104 111 I CA 1.054 62.347 61.300 -0.012 0.000 1.397 111 I CB -0.322 37.644 38.000 -0.057 0.000 1.072 111 I HN 0.170 nan 8.210 nan 0.000 0.417 112 I N 0.908 121.472 120.570 -0.011 0.000 2.226 112 I HA -0.267 3.904 4.170 0.002 0.000 0.245 112 I C 1.981 178.077 176.117 -0.034 0.000 1.100 112 I CA 1.311 62.603 61.300 -0.012 0.000 1.374 112 I CB -0.479 37.513 38.000 -0.014 0.000 1.057 112 I HN 0.315 nan 8.210 nan 0.000 0.413 113 N N 0.914 119.591 118.700 -0.039 0.000 2.446 113 N HA -0.013 4.728 4.740 0.002 0.000 0.179 113 N C 1.376 176.813 175.510 -0.123 0.000 1.054 113 N CA 0.633 53.640 53.050 -0.071 0.000 0.905 113 N CB -0.011 38.446 38.487 -0.050 0.000 0.973 113 N HN 0.274 nan 8.380 nan 0.000 0.448 114 G N 2.275 111.000 108.800 -0.125 0.000 3.284 114 G HA2 0.224 4.185 3.960 0.002 0.000 0.251 114 G HA3 0.224 4.185 3.960 0.002 0.000 0.251 114 G C 0.580 175.320 174.900 -0.267 0.000 0.913 114 G CA -0.424 44.455 45.100 -0.369 0.000 1.947 114 G HN 0.290 nan 8.290 nan 0.000 0.635 115 I N -1.512 118.957 120.570 -0.168 0.000 2.710 115 I HA 0.297 4.468 4.170 0.002 0.000 0.286 115 I C -2.307 173.821 176.117 0.017 0.000 1.181 115 I CA -1.994 59.265 61.300 -0.069 0.000 1.430 115 I CB 0.455 38.397 38.000 -0.096 0.000 1.367 115 I HN -0.074 nan 8.210 nan 0.000 0.577 116 P HA -0.029 nan 4.420 nan 0.000 0.267 116 P C -0.929 176.481 177.300 0.183 0.000 1.200 116 P CA 0.206 63.368 63.100 0.103 0.000 0.772 116 P CB 0.232 31.985 31.700 0.088 0.000 0.855 117 Y N 2.637 122.956 120.300 0.032 0.000 2.457 117 Y HA 0.090 4.641 4.550 0.002 0.000 0.341 117 Y C 0.287 176.148 175.900 -0.065 0.000 1.240 117 Y CA 0.073 58.052 58.100 -0.202 0.000 1.437 117 Y CB 0.193 38.567 38.460 -0.144 0.000 1.328 117 Y HN 0.152 nan 8.280 nan 0.000 0.588 118 L N 6.539 127.329 121.223 -0.722 0.000 2.404 118 L HA 0.383 4.724 4.340 0.002 0.000 0.277 118 L C 0.608 177.350 176.870 -0.213 0.000 1.184 118 L CA 0.390 54.909 54.840 -0.535 0.000 1.013 118 L CB -1.207 40.285 42.059 -0.945 0.000 1.318 118 L HN 0.960 nan 8.230 nan 0.000 0.435 119 G N 2.307 111.089 108.800 -0.031 0.000 2.371 119 G HA2 0.039 4.000 3.960 0.002 0.000 0.663 119 G HA3 0.039 4.000 3.960 0.002 0.000 0.663 119 G C -1.494 173.247 174.900 -0.264 0.000 1.311 119 G CA -0.296 44.783 45.100 -0.034 0.000 0.985 119 G HN 0.597 nan 8.290 nan 0.000 0.566 120 D N -2.138 117.939 120.400 -0.538 0.000 2.898 120 D HA 0.498 5.139 4.640 0.002 0.000 0.266 120 D C 1.789 177.447 176.300 -1.071 0.000 1.173 120 D CA 0.032 53.273 54.000 -1.266 0.000 1.078 120 D CB -0.049 40.381 40.800 -0.617 0.000 1.326 120 D HN 0.762 nan 8.370 nan 0.000 0.622 121 R N 0.106 120.200 120.500 -0.677 0.000 2.105 121 R HA -0.078 4.263 4.340 0.002 0.000 0.239 121 R C 1.817 178.043 176.300 -0.123 0.000 1.135 121 R CA 1.109 57.126 56.100 -0.139 0.000 0.967 121 R CB -0.479 29.788 30.300 -0.055 0.000 0.861 121 R HN 0.243 nan 8.270 nan 0.000 0.442 122 R N 1.129 121.533 120.500 -0.160 0.000 2.081 122 R HA 0.032 4.373 4.340 0.002 0.000 0.235 122 R C 0.605 176.863 176.300 -0.070 0.000 1.131 122 R CA 1.025 57.064 56.100 -0.102 0.000 0.960 122 R CB -0.333 29.909 30.300 -0.096 0.000 0.856 122 R HN 0.010 nan 8.270 nan 0.000 0.436 123 V N 3.672 123.536 119.914 -0.082 0.000 2.644 123 V HA -0.017 4.104 4.120 0.002 0.000 0.305 123 V C -1.985 174.118 176.094 0.015 0.000 1.053 123 V CA -0.833 61.454 62.300 -0.022 0.000 1.186 123 V CB 0.350 32.178 31.823 0.007 0.000 0.895 123 V HN 0.101 nan 8.190 nan 0.000 0.490 124 P HA 0.081 nan 4.420 nan 0.000 0.266 124 P C 1.172 178.497 177.300 0.041 0.000 1.195 124 P CA -0.072 63.040 63.100 0.019 0.000 0.768 124 P CB 0.448 32.153 31.700 0.008 0.000 0.838 125 L N 1.955 123.197 121.223 0.033 0.000 2.051 125 L HA -0.259 4.082 4.340 0.002 0.000 0.214 125 L C 1.658 178.544 176.870 0.026 0.000 1.076 125 L CA 1.962 56.826 54.840 0.039 0.000 0.758 125 L CB -0.829 41.237 42.059 0.013 0.000 0.890 125 L HN 0.454 nan 8.230 nan 0.000 0.433 126 E N -0.390 119.809 120.200 -0.001 0.000 2.347 126 E HA -0.037 4.314 4.350 0.002 0.000 0.196 126 E C 0.470 177.026 176.600 -0.074 0.000 1.008 126 E CA 0.444 56.823 56.400 -0.035 0.000 0.852 126 E CB 0.025 29.709 29.700 -0.027 0.000 0.783 126 E HN 0.549 nan 8.360 nan 0.000 0.505 127 E N -0.477 119.706 120.200 -0.029 0.000 2.254 127 E HA 0.429 4.780 4.350 0.002 0.000 0.258 127 E C -0.648 175.982 176.600 0.050 0.000 1.033 127 E CA -0.600 55.787 56.400 -0.020 0.000 0.893 127 E CB 1.196 30.915 29.700 0.031 0.000 1.204 127 E HN -0.015 nan 8.360 nan 0.000 0.425 128 F N 1.350 121.293 119.950 -0.012 0.000 2.539 128 F HA 0.272 4.800 4.527 0.002 0.000 0.328 128 F C -0.071 175.683 175.800 -0.077 0.000 1.148 128 F CA -0.963 56.983 58.000 -0.090 0.000 0.940 128 F CB 1.665 40.577 39.000 -0.146 0.000 1.194 128 F HN 0.263 nan 8.300 nan 0.000 0.438 129 N N 2.073 120.838 118.700 0.109 0.000 2.483 129 N HA 0.112 4.853 4.740 0.002 0.000 0.267 129 N C 0.372 175.876 175.510 -0.009 0.000 0.998 129 N CA -0.153 52.917 53.050 0.033 0.000 0.918 129 N CB 1.826 40.321 38.487 0.014 0.000 1.215 129 N HN 0.680 nan 8.380 nan 0.000 0.500 130 T N 0.196 114.751 114.554 0.002 0.000 3.081 130 T HA 0.051 4.402 4.350 0.002 0.000 0.250 130 T C 0.731 175.435 174.700 0.006 0.000 1.100 130 T CA 0.232 62.362 62.100 0.050 0.000 1.038 130 T CB -0.215 68.750 68.868 0.161 0.000 0.962 130 T HN 0.330 nan 8.240 nan 0.000 0.516 131 N N 2.330 121.007 118.700 -0.038 0.000 3.111 131 N HA 0.249 4.990 4.740 0.002 0.000 0.302 131 N C -0.265 175.185 175.510 -0.099 0.000 1.317 131 N CA -0.648 52.349 53.050 -0.089 0.000 1.151 131 N CB -0.775 37.652 38.487 -0.099 0.000 1.456 131 N HN 0.792 nan 8.380 nan 0.000 0.547 132 I N -3.694 116.832 120.570 -0.074 0.000 2.730 132 I HA 0.613 4.784 4.170 0.002 0.000 0.298 132 I C 0.736 176.822 176.117 -0.052 0.000 1.089 132 I CA -1.195 60.063 61.300 -0.069 0.000 1.041 132 I CB 1.741 39.706 38.000 -0.058 0.000 1.235 132 I HN -0.135 nan 8.210 nan 0.000 0.423 133 A N 3.226 126.022 122.820 -0.040 0.000 2.131 133 A HA -0.112 4.209 4.320 0.002 0.000 0.220 133 A C 1.891 179.477 177.584 0.003 0.000 1.158 133 A CA 1.934 53.965 52.037 -0.009 0.000 0.665 133 A CB -0.880 18.139 19.000 0.032 0.000 0.795 133 A HN 0.955 nan 8.150 nan 0.000 0.460 134 S N -1.958 113.749 115.700 0.012 0.000 2.556 134 S HA 0.258 4.729 4.470 0.002 0.000 0.216 134 S C 1.038 175.671 174.600 0.055 0.000 0.970 134 S CA 0.611 58.833 58.200 0.036 0.000 0.912 134 S CB 0.361 63.590 63.200 0.049 0.000 0.790 134 S HN 0.199 nan 8.310 nan 0.000 0.504 135 V N 0.309 120.258 119.914 0.059 0.000 3.090 135 V HA 0.256 4.377 4.120 0.002 0.000 0.237 135 V C 0.638 176.860 176.094 0.214 0.000 1.209 135 V CA 0.678 63.048 62.300 0.118 0.000 1.209 135 V CB 0.326 32.203 31.823 0.089 0.000 0.971 135 V HN 0.407 nan 8.190 nan 0.000 0.477 136 T N 0.723 115.341 114.554 0.106 0.000 2.885 136 T HA 0.702 5.053 4.350 0.002 0.000 0.285 136 T C -1.241 173.444 174.700 -0.024 0.000 1.019 136 T CA -0.196 61.922 62.100 0.031 0.000 1.010 136 T CB 2.590 71.420 68.868 -0.064 0.000 1.022 136 T HN 0.020 nan 8.240 nan 0.000 0.466 137 V N 3.281 123.161 119.914 -0.055 0.000 2.760 137 V HA 0.522 4.643 4.120 0.002 0.000 0.309 137 V C -1.312 174.737 176.094 -0.076 0.000 1.077 137 V CA -0.935 61.328 62.300 -0.062 0.000 0.910 137 V CB 2.255 34.016 31.823 -0.103 0.000 1.008 137 V HN 0.827 nan 8.190 nan 0.000 0.424 138 N N 4.411 123.109 118.700 -0.004 0.000 2.524 138 N HA 0.507 5.248 4.740 0.002 0.000 0.283 138 N C -0.876 174.656 175.510 0.036 0.000 1.142 138 N CA -0.388 52.684 53.050 0.036 0.000 0.984 138 N CB 1.397 39.988 38.487 0.173 0.000 1.155 138 N HN 0.768 nan 8.380 nan 0.000 0.467 139 K N -0.252 120.161 120.400 0.022 0.000 2.378 139 K HA 0.487 4.808 4.320 0.002 0.000 0.252 139 K C -1.109 175.492 176.600 0.002 0.000 0.931 139 K CA -0.936 55.353 56.287 0.003 0.000 0.794 139 K CB 1.629 34.060 32.500 -0.114 0.000 1.181 139 K HN 0.193 nan 8.250 nan 0.000 0.425 140 L N 4.327 125.492 121.223 -0.096 0.000 2.283 140 L HA 0.186 4.527 4.340 0.002 0.000 0.287 140 L C 0.104 176.854 176.870 -0.200 0.000 1.073 140 L CA -0.220 54.442 54.840 -0.296 0.000 0.822 140 L CB 0.323 41.896 42.059 -0.811 0.000 1.186 140 L HN 0.851 nan 8.230 nan 0.000 0.436 141 I N 2.246 122.734 120.570 -0.136 0.000 2.494 141 I HA 0.013 4.184 4.170 0.002 0.000 0.250 141 I C 1.487 177.540 176.117 -0.106 0.000 1.112 141 I CA 0.927 62.165 61.300 -0.103 0.000 1.438 141 I CB -0.659 37.299 38.000 -0.070 0.000 1.111 141 I HN 0.780 nan 8.210 nan 0.000 0.431 142 S N 1.964 117.598 115.700 -0.110 0.000 2.563 142 S HA -0.014 4.457 4.470 0.002 0.000 0.269 142 S C 0.406 174.941 174.600 -0.108 0.000 1.364 142 S CA -0.557 57.584 58.200 -0.097 0.000 1.010 142 S CB -0.255 62.890 63.200 -0.091 0.000 0.877 142 S HN 0.329 nan 8.310 nan 0.000 0.549 143 N N 1.743 120.393 118.700 -0.084 0.000 2.329 143 N HA 0.130 4.871 4.740 0.002 0.000 0.237 143 N C -2.652 172.803 175.510 -0.092 0.000 1.258 143 N CA -0.676 52.328 53.050 -0.077 0.000 0.866 143 N CB -0.897 37.555 38.487 -0.057 0.000 1.102 143 N HN 0.460 nan 8.380 nan 0.000 0.440 144 P HA 0.050 nan 4.420 nan 0.000 0.264 144 P C 0.940 178.197 177.300 -0.071 0.000 1.193 144 P CA 0.783 63.832 63.100 -0.085 0.000 0.763 144 P CB 0.331 31.990 31.700 -0.069 0.000 0.810 145 G N 2.030 110.785 108.800 -0.075 0.000 2.234 145 G HA2 -0.182 3.779 3.960 0.002 0.000 0.235 145 G HA3 -0.182 3.779 3.960 0.002 0.000 0.235 145 G C -0.214 174.653 174.900 -0.055 0.000 0.997 145 G CA 0.046 45.113 45.100 -0.055 0.000 0.623 145 G HN 0.662 nan 8.290 nan 0.000 0.514 146 E N -0.062 120.093 120.200 -0.074 0.000 2.218 146 E HA 0.565 4.916 4.350 0.002 0.000 0.263 146 E C 0.570 177.110 176.600 -0.100 0.000 0.879 146 E CA -0.548 55.812 56.400 -0.067 0.000 0.762 146 E CB 2.081 31.750 29.700 -0.052 0.000 1.166 146 E HN 0.816 nan 8.360 nan 0.000 0.415 147 V N 0.882 120.748 119.914 -0.081 0.000 3.416 147 V HA -0.004 4.117 4.120 0.002 0.000 0.334 147 V C 1.328 177.391 176.094 -0.050 0.000 1.271 147 V CA 0.743 62.984 62.300 -0.098 0.000 1.274 147 V CB -1.294 30.529 31.823 0.001 0.000 1.153 147 V HN 0.792 nan 8.190 nan 0.000 0.433 148 E N 1.237 121.406 120.200 -0.051 0.000 2.209 148 E HA -0.149 4.202 4.350 0.002 0.000 0.196 148 E C 0.843 177.425 176.600 -0.030 0.000 0.993 148 E CA 0.949 57.330 56.400 -0.032 0.000 0.819 148 E CB -0.121 29.559 29.700 -0.034 0.000 0.745 148 E HN 0.728 nan 8.360 nan 0.000 0.477 149 R N 0.422 120.892 120.500 -0.049 0.000 2.538 149 R HA 0.439 4.780 4.340 0.002 0.000 0.292 149 R C -1.046 175.225 176.300 -0.048 0.000 1.008 149 R CA -0.646 55.429 56.100 -0.041 0.000 0.896 149 R CB 2.037 32.310 30.300 -0.046 0.000 1.187 149 R HN -0.071 nan 8.270 nan 0.000 0.440 150 K N 1.910 122.300 120.400 -0.018 0.000 2.375 150 K HA 0.494 4.815 4.320 0.002 0.000 0.249 150 K C -0.952 175.639 176.600 -0.015 0.000 0.942 150 K CA -1.117 55.169 56.287 -0.002 0.000 0.806 150 K CB 2.383 34.921 32.500 0.064 0.000 1.227 150 K HN 0.115 nan 8.250 nan 0.000 0.430 151 K N 0.402 120.787 120.400 -0.025 0.000 2.427 151 K HA 0.435 4.756 4.320 0.002 0.000 0.252 151 K C -0.797 175.763 176.600 -0.067 0.000 0.931 151 K CA -0.434 55.824 56.287 -0.048 0.000 0.793 151 K CB 1.929 34.398 32.500 -0.052 0.000 1.211 151 K HN 0.755 nan 8.250 nan 0.000 0.426 152 G N 3.395 112.131 108.800 -0.106 0.000 2.451 152 G HA2 0.666 4.627 3.960 0.002 0.000 0.303 152 G HA3 0.666 4.627 3.960 0.002 0.000 0.303 152 G C -0.594 174.175 174.900 -0.218 0.000 1.166 152 G CA -0.649 44.355 45.100 -0.159 0.000 0.884 152 G HN 0.750 nan 8.290 nan 0.000 0.514 153 I N -2.221 118.205 120.570 -0.240 0.000 3.006 153 I HA 0.662 4.833 4.170 0.002 0.000 0.306 153 I C -1.436 174.563 176.117 -0.196 0.000 1.250 153 I CA -1.428 59.740 61.300 -0.221 0.000 0.996 153 I CB 2.331 40.294 38.000 -0.061 0.000 1.261 153 I HN 0.366 nan 8.210 nan 0.000 0.442 154 F N 2.613 122.598 119.950 0.059 0.000 2.379 154 F HA 0.823 5.351 4.527 0.002 0.000 0.332 154 F C 0.648 176.520 175.800 0.121 0.000 1.096 154 F CA -0.523 57.516 58.000 0.065 0.000 1.105 154 F CB 1.926 40.970 39.000 0.074 0.000 1.189 154 F HN 0.761 nan 8.300 nan 0.000 0.515 155 A N 2.315 125.329 122.820 0.323 0.000 2.594 155 A HA 0.515 4.836 4.320 0.002 0.000 0.295 155 A C -0.705 176.998 177.584 0.198 0.000 1.071 155 A CA -0.763 51.444 52.037 0.283 0.000 0.685 155 A CB 1.428 20.571 19.000 0.239 0.000 1.285 155 A HN 0.686 nan 8.150 nan 0.000 0.405 156 N N -0.745 118.066 118.700 0.185 0.000 2.460 156 N HA 0.311 5.052 4.740 0.002 0.000 0.193 156 N C -0.612 174.977 175.510 0.130 0.000 1.080 156 N CA 0.608 53.731 53.050 0.122 0.000 0.869 156 N CB 0.696 39.230 38.487 0.079 0.000 1.201 156 N HN 0.598 nan 8.380 nan 0.000 0.457 157 L N 0.517 121.845 121.223 0.175 0.000 2.526 157 L HA 0.543 4.884 4.340 0.002 0.000 0.263 157 L C -1.947 175.055 176.870 0.220 0.000 0.943 157 L CA -0.448 54.494 54.840 0.171 0.000 0.859 157 L CB 1.681 43.826 42.059 0.143 0.000 1.313 157 L HN -0.085 nan 8.230 nan 0.000 0.406 158 I N 6.059 126.738 120.570 0.182 0.000 2.418 158 I HA 0.458 4.629 4.170 0.002 0.000 0.287 158 I C -0.658 175.547 176.117 0.147 0.000 1.008 158 I CA -0.443 60.934 61.300 0.128 0.000 1.104 158 I CB 1.772 39.781 38.000 0.016 0.000 1.264 158 I HN 0.477 nan 8.210 nan 0.000 0.438 159 I N 6.345 126.990 120.570 0.125 0.000 2.328 159 I HA 0.349 4.520 4.170 0.002 0.000 0.287 159 I C -0.401 175.864 176.117 0.247 0.000 1.012 159 I CA -0.275 61.175 61.300 0.251 0.000 1.195 159 I CB 0.666 38.828 38.000 0.269 0.000 1.350 159 I HN 0.358 nan 8.210 nan 0.000 0.464 160 F N 3.362 123.534 119.950 0.369 0.000 2.377 160 F HA 0.637 5.165 4.527 0.002 0.000 0.335 160 F C 1.315 177.351 175.800 0.393 0.000 1.099 160 F CA -0.245 57.979 58.000 0.375 0.000 1.072 160 F CB 0.409 39.708 39.000 0.498 0.000 1.417 160 F HN 0.347 nan 8.300 nan 0.000 0.495 161 G N -0.422 108.646 108.800 0.446 0.000 2.525 161 G HA2 0.484 4.445 3.960 0.002 0.000 0.287 161 G HA3 0.484 4.445 3.960 0.002 0.000 0.287 161 G C -2.725 172.397 174.900 0.369 0.000 1.350 161 G CA -1.430 43.847 45.100 0.294 0.000 1.039 161 G HN 0.336 nan 8.290 nan 0.000 0.513 162 P HA 0.180 nan 4.420 nan 0.000 0.272 162 P C 0.476 177.853 177.300 0.128 0.000 1.223 162 P CA 0.080 63.259 63.100 0.131 0.000 0.784 162 P CB 1.196 32.887 31.700 -0.015 0.000 0.923 163 G N 1.779 110.533 108.800 -0.077 0.000 2.582 163 G HA2 0.236 4.197 3.960 0.002 0.000 0.232 163 G HA3 0.236 4.197 3.960 0.002 0.000 0.232 163 G C -1.664 172.882 174.900 -0.589 0.000 1.458 163 G CA -0.922 44.003 45.100 -0.291 0.000 1.062 163 G HN 0.235 nan 8.290 nan 0.000 0.566 164 P HA -0.067 nan 4.420 nan 0.000 0.213 164 P C 0.565 177.383 177.300 -0.804 0.000 1.170 164 P CA 0.800 63.212 63.100 -1.147 0.000 0.902 164 P CB -0.045 31.047 31.700 -1.014 0.000 0.789 165 V N 1.266 120.664 119.914 -0.860 0.000 2.427 165 V HA 0.021 4.142 4.120 0.002 0.000 0.268 165 V C 1.822 177.620 176.094 -0.493 0.000 1.046 165 V CA 0.186 62.013 62.300 -0.789 0.000 0.970 165 V CB 0.212 31.676 31.823 -0.599 0.000 1.001 165 V HN 0.035 nan 8.190 nan 0.000 0.476 166 L N 4.036 124.993 121.223 -0.443 0.000 2.046 166 L HA -0.123 4.218 4.340 0.002 0.000 0.208 166 L C 2.150 178.888 176.870 -0.220 0.000 1.077 166 L CA 1.430 56.062 54.840 -0.347 0.000 0.747 166 L CB -0.426 41.337 42.059 -0.493 0.000 0.896 166 L HN 0.894 nan 8.230 nan 0.000 0.432 167 N N 0.198 118.810 118.700 -0.147 0.000 2.434 167 N HA -0.120 4.621 4.740 0.002 0.000 0.196 167 N C 0.295 175.748 175.510 -0.095 0.000 1.183 167 N CA 0.296 53.295 53.050 -0.084 0.000 0.849 167 N CB -0.072 38.405 38.487 -0.016 0.000 0.992 167 N HN 0.406 nan 8.380 nan 0.000 0.460 168 E N 1.141 121.254 120.200 -0.144 0.000 2.597 168 E HA 0.159 4.510 4.350 0.002 0.000 0.235 168 E C -0.720 175.821 176.600 -0.099 0.000 1.155 168 E CA -0.548 55.776 56.400 -0.128 0.000 1.199 168 E CB 0.024 29.607 29.700 -0.195 0.000 1.409 168 E HN 0.216 nan 8.360 nan 0.000 0.453 169 N N 2.389 121.074 118.700 -0.026 0.000 2.492 169 N HA 0.047 4.788 4.740 0.002 0.000 0.260 169 N C -0.283 175.268 175.510 0.069 0.000 1.215 169 N CA 0.597 53.684 53.050 0.062 0.000 0.923 169 N CB 1.095 39.687 38.487 0.176 0.000 1.092 169 N HN 0.456 nan 8.380 nan 0.000 0.448 170 E N 0.138 120.375 120.200 0.062 0.000 2.335 170 E HA 0.214 4.565 4.350 0.002 0.000 0.280 170 E C -1.457 175.164 176.600 0.035 0.000 0.918 170 E CA -0.503 55.910 56.400 0.021 0.000 0.765 170 E CB 1.514 31.172 29.700 -0.069 0.000 1.218 170 E HN 0.313 nan 8.360 nan 0.000 0.425 171 T N 4.119 118.691 114.554 0.030 0.000 2.767 171 T HA 0.489 4.841 4.350 0.002 0.000 0.288 171 T C -0.125 174.588 174.700 0.022 0.000 0.963 171 T CA -0.225 61.904 62.100 0.049 0.000 1.019 171 T CB 0.180 69.094 68.868 0.076 0.000 0.923 171 T HN 0.278 nan 8.240 nan 0.000 0.468 172 I N 3.974 124.589 120.570 0.075 0.000 2.474 172 I HA 0.411 4.582 4.170 0.002 0.000 0.294 172 I C -0.339 175.881 176.117 0.172 0.000 1.005 172 I CA -1.027 60.356 61.300 0.138 0.000 1.113 172 I CB 1.875 40.007 38.000 0.219 0.000 1.289 172 I HN 0.612 nan 8.210 nan 0.000 0.436 173 D N 5.977 126.505 120.400 0.213 0.000 2.340 173 D HA 0.470 5.111 4.640 0.002 0.000 0.243 173 D C -0.477 176.072 176.300 0.415 0.000 0.988 173 D CA -0.551 53.603 54.000 0.256 0.000 0.959 173 D CB 1.872 42.802 40.800 0.217 0.000 1.226 173 D HN 0.270 nan 8.370 nan 0.000 0.509 174 I N 0.581 121.360 120.570 0.347 0.000 2.301 174 I HA 0.388 4.559 4.170 0.002 0.000 0.292 174 I C 0.766 177.028 176.117 0.243 0.000 1.046 174 I CA -0.494 60.999 61.300 0.321 0.000 1.282 174 I CB 1.164 39.250 38.000 0.143 0.000 1.409 174 I HN 0.407 nan 8.210 nan 0.000 0.484 175 G N 7.450 116.284 108.800 0.057 0.000 2.356 175 G HA2 0.749 4.710 3.960 0.002 0.000 0.322 175 G HA3 0.749 4.710 3.960 0.002 0.000 0.322 175 G C -0.713 173.992 174.900 -0.324 0.000 1.125 175 G CA -0.408 44.279 45.100 -0.688 0.000 0.885 175 G HN 0.526 nan 8.290 nan 0.000 0.467 176 I N 1.262 121.654 120.570 -0.297 0.000 2.500 176 I HA 0.248 4.419 4.170 0.002 0.000 0.286 176 I C -0.050 176.000 176.117 -0.112 0.000 1.063 176 I CA -0.381 60.835 61.300 -0.140 0.000 1.062 176 I CB 1.944 39.901 38.000 -0.073 0.000 1.223 176 I HN 0.664 nan 8.210 nan 0.000 0.435 177 Q N 4.891 124.637 119.800 -0.089 0.000 2.464 177 Q HA -0.228 4.113 4.340 0.002 0.000 0.304 177 Q C 0.109 176.099 176.000 -0.017 0.000 1.401 177 Q CA 0.716 56.499 55.803 -0.032 0.000 0.806 177 Q CB -1.202 27.541 28.738 0.008 0.000 1.134 177 Q HN 0.957 nan 8.270 nan 0.000 0.411 178 N N -1.281 117.325 118.700 -0.158 0.000 2.753 178 N HA -0.231 4.511 4.740 0.002 0.000 0.251 178 N C -0.584 174.617 175.510 -0.514 0.000 1.097 178 N CA 0.986 53.876 53.050 -0.265 0.000 0.786 178 N CB -0.573 37.809 38.487 -0.175 0.000 1.137 178 N HN 0.527 nan 8.380 nan 0.000 0.566 179 H N -0.784 118.095 119.070 -0.318 0.000 2.821 179 H HA 0.416 4.973 4.556 0.002 0.000 0.373 179 H C -0.998 174.070 175.328 -0.434 0.000 1.165 179 H CA -0.377 55.546 56.048 -0.209 0.000 1.154 179 H CB 0.999 30.735 29.762 -0.045 0.000 1.765 179 H HN -0.085 nan 8.280 nan 0.000 0.549 180 F N 0.348 120.417 119.950 0.198 0.000 2.427 180 F HA 0.331 4.859 4.527 0.002 0.000 0.348 180 F C 1.207 177.136 175.800 0.215 0.000 1.125 180 F CA -0.622 57.479 58.000 0.168 0.000 0.989 180 F CB 1.597 40.677 39.000 0.133 0.000 1.165 180 F HN 0.689 nan 8.300 nan 0.000 0.442 181 A N 1.605 124.610 122.820 0.308 0.000 1.978 181 A HA -0.167 4.154 4.320 0.002 0.000 0.220 181 A C 2.181 180.013 177.584 0.414 0.000 1.170 181 A CA 1.979 54.236 52.037 0.366 0.000 0.636 181 A CB -0.821 18.295 19.000 0.194 0.000 0.810 181 A HN 0.727 nan 8.150 nan 0.000 0.448 182 S N -0.759 115.151 115.700 0.349 0.000 2.547 182 S HA -0.037 4.434 4.470 0.002 0.000 0.235 182 S C 1.365 176.128 174.600 0.271 0.000 0.980 182 S CA 0.898 59.273 58.200 0.292 0.000 0.941 182 S CB -0.234 63.120 63.200 0.256 0.000 0.763 182 S HN 0.653 nan 8.310 nan 0.000 0.532 183 R N 0.365 121.046 120.500 0.303 0.000 2.508 183 R HA 0.291 4.632 4.340 0.002 0.000 0.300 183 R C 0.059 176.498 176.300 0.231 0.000 0.970 183 R CA 0.092 56.334 56.100 0.236 0.000 1.102 183 R CB 0.375 30.803 30.300 0.213 0.000 1.246 183 R HN 0.511 nan 8.270 nan 0.000 0.539 184 E N -0.239 120.114 120.200 0.256 0.000 2.968 184 E HA 0.205 4.556 4.350 0.002 0.000 0.202 184 E C 0.491 177.025 176.600 -0.111 0.000 0.979 184 E CA 0.147 56.638 56.400 0.153 0.000 1.192 184 E CB 1.569 31.445 29.700 0.294 0.000 1.059 184 E HN 0.336 nan 8.360 nan 0.000 0.470 185 G N 0.777 109.591 108.800 0.023 0.000 2.241 185 G HA2 -0.370 3.591 3.960 0.002 0.000 0.244 185 G HA3 -0.370 3.591 3.960 0.002 0.000 0.244 185 G C 0.702 175.481 174.900 -0.202 0.000 0.998 185 G CA 0.380 45.440 45.100 -0.067 0.000 0.621 185 G HN 0.312 nan 8.290 nan 0.000 0.519 186 F N 1.163 121.140 119.950 0.045 0.000 2.094 186 F HA 0.401 4.929 4.527 0.002 0.000 0.291 186 F C 2.123 178.000 175.800 0.127 0.000 1.109 186 F CA 2.087 60.112 58.000 0.042 0.000 1.221 186 F CB -0.480 38.553 39.000 0.054 0.000 1.014 186 F HN 1.119 nan 8.300 nan 0.000 0.473 187 G N -0.774 108.235 108.800 0.349 0.000 2.592 187 G HA2 0.373 4.335 3.960 0.002 0.000 0.684 187 G HA3 0.373 4.335 3.960 0.002 0.000 0.684 187 G C -0.537 174.492 174.900 0.217 0.000 1.291 187 G CA -0.690 44.548 45.100 0.230 0.000 0.891 187 G HN 0.978 nan 8.290 nan 0.000 0.544 188 G N -1.623 107.273 108.800 0.159 0.000 2.368 188 G HA2 0.611 4.572 3.960 0.002 0.000 0.293 188 G HA3 0.611 4.572 3.960 0.002 0.000 0.293 188 G C -0.469 174.498 174.900 0.112 0.000 1.467 188 G CA -0.324 44.857 45.100 0.135 0.000 0.804 188 G HN 1.226 nan 8.290 nan 0.000 0.535 189 I N 1.623 122.247 120.570 0.090 0.000 2.821 189 I HA 0.025 4.196 4.170 0.002 0.000 0.294 189 I C 0.407 176.569 176.117 0.076 0.000 1.210 189 I CA 0.462 61.809 61.300 0.077 0.000 1.430 189 I CB 0.432 38.458 38.000 0.043 0.000 1.356 189 I HN 0.178 nan 8.210 nan 0.000 0.563 190 M N 6.723 126.378 119.600 0.092 0.000 2.404 190 M HA 0.431 4.912 4.480 0.002 0.000 0.338 190 M C -0.422 175.947 176.300 0.115 0.000 1.150 190 M CA -0.447 54.914 55.300 0.102 0.000 1.016 190 M CB 1.678 34.342 32.600 0.107 0.000 1.672 190 M HN 0.522 nan 8.290 nan 0.000 0.448 191 Q N 1.879 121.756 119.800 0.128 0.000 2.416 191 Q HA 0.839 5.180 4.340 0.002 0.000 0.279 191 Q C -1.049 175.074 176.000 0.205 0.000 1.101 191 Q CA -0.754 55.178 55.803 0.216 0.000 0.830 191 Q CB 3.795 32.672 28.738 0.232 0.000 1.402 191 Q HN 0.712 nan 8.270 nan 0.000 0.445 192 M N 0.938 120.712 119.600 0.290 0.000 2.520 192 M HA 0.445 4.926 4.480 0.002 0.000 0.283 192 M C -2.119 174.342 176.300 0.268 0.000 1.237 192 M CA -0.710 54.719 55.300 0.214 0.000 0.885 192 M CB 2.534 35.264 32.600 0.217 0.000 1.727 192 M HN 0.539 nan 8.290 nan 0.000 0.468 193 K N 2.917 123.402 120.400 0.140 0.000 2.358 193 K HA 0.682 5.004 4.320 0.002 0.000 0.260 193 K C -1.564 175.234 176.600 0.330 0.000 0.956 193 K CA -0.458 55.933 56.287 0.173 0.000 0.834 193 K CB 2.149 34.578 32.500 -0.117 0.000 1.102 193 K HN 0.502 nan 8.250 nan 0.000 0.431 194 F N 1.855 121.966 119.950 0.267 0.000 2.601 194 F HA 0.545 5.073 4.527 0.002 0.000 0.309 194 F C -1.602 174.411 175.800 0.355 0.000 1.089 194 F CA -1.002 57.154 58.000 0.259 0.000 0.940 194 F CB 1.784 40.939 39.000 0.259 0.000 1.273 194 F HN 0.721 nan 8.300 nan 0.000 0.450 195 C N 8.850 127.770 119.300 -0.634 0.000 2.478 195 C HA 0.489 4.950 4.460 0.002 0.000 0.334 195 C C -1.637 172.975 174.990 -0.631 0.000 1.106 195 C CA -1.457 57.379 59.018 -0.304 0.000 1.363 195 C CB 1.003 28.630 27.740 -0.187 0.000 1.941 195 C HN 0.752 nan 8.230 nan 0.000 0.436 196 P HA -0.050 nan 4.420 nan 0.000 0.220 196 P C 0.970 178.210 177.300 -0.100 0.000 1.152 196 P CA 1.447 64.447 63.100 -0.167 0.000 0.812 196 P CB 0.662 32.395 31.700 0.055 0.000 0.792 197 E N -0.366 119.821 120.200 -0.022 0.000 2.028 197 E HA -0.093 4.258 4.350 0.002 0.000 0.191 197 E C 0.206 176.597 176.600 -0.349 0.000 0.988 197 E CA 1.071 57.381 56.400 -0.150 0.000 0.799 197 E CB -0.676 28.972 29.700 -0.087 0.000 0.755 197 E HN 0.336 nan 8.360 nan 0.000 0.447 198 Y N 0.555 120.760 120.300 -0.158 0.000 2.535 198 Y HA 0.265 4.816 4.550 0.001 0.000 0.349 198 Y C 0.073 175.884 175.900 -0.149 0.000 0.992 198 Y CA -1.127 56.875 58.100 -0.164 0.000 1.248 198 Y CB 0.400 38.760 38.460 -0.167 0.000 1.124 198 Y HN -0.193 nan 8.280 nan 0.000 0.520 199 V N 0.194 120.078 119.914 -0.050 0.000 2.850 199 V HA 0.772 4.893 4.120 0.002 0.000 0.315 199 V C 0.213 176.316 176.094 0.015 0.000 1.064 199 V CA -1.080 61.214 62.300 -0.009 0.000 0.979 199 V CB 1.627 33.470 31.823 0.034 0.000 1.039 199 V HN 0.669 nan 8.190 nan 0.000 0.452 200 S N 2.060 117.792 115.700 0.054 0.000 2.603 200 S HA 0.707 5.179 4.470 0.002 0.000 0.268 200 S C -0.256 174.414 174.600 0.116 0.000 1.317 200 S CA -0.517 57.726 58.200 0.072 0.000 1.012 200 S CB 1.316 64.562 63.200 0.077 0.000 0.926 200 S HN 1.117 nan 8.310 nan 0.000 0.539 201 V N 2.664 122.631 119.914 0.090 0.000 2.769 201 V HA 0.841 4.962 4.120 0.002 0.000 0.312 201 V C -0.555 175.612 176.094 0.121 0.000 1.061 201 V CA -0.760 61.559 62.300 0.033 0.000 0.931 201 V CB 1.158 32.949 31.823 -0.054 0.000 1.010 201 V HN 0.995 nan 8.190 nan 0.000 0.433 202 F N 1.374 121.342 119.950 0.030 0.000 2.711 202 F HA 0.860 5.387 4.527 0.001 0.000 0.313 202 F C -1.244 174.601 175.800 0.073 0.000 1.141 202 F CA -1.341 56.676 58.000 0.030 0.000 0.941 202 F CB 1.910 40.913 39.000 0.005 0.000 1.349 202 F HN 0.533 nan 8.300 nan 0.000 0.464 203 N N -1.143 117.720 118.700 0.271 0.000 2.406 203 N HA 0.420 5.162 4.740 0.002 0.000 0.283 203 N C -1.387 174.262 175.510 0.232 0.000 1.074 203 N CA -0.522 52.644 53.050 0.193 0.000 0.916 203 N CB 0.905 39.424 38.487 0.053 0.000 1.639 203 N HN 1.067 nan 8.380 nan 0.000 0.485 204 N N 0.751 119.584 118.700 0.221 0.000 2.418 204 N HA 0.338 5.079 4.740 0.002 0.000 0.277 204 N C 1.728 177.290 175.510 0.087 0.000 1.317 204 N CA 0.131 53.272 53.050 0.151 0.000 0.922 204 N CB -0.407 38.150 38.487 0.115 0.000 1.194 204 N HN 0.850 nan 8.380 nan 0.000 0.485 205 V N 1.334 121.312 119.914 0.108 0.000 2.231 205 V HA -0.174 3.948 4.120 0.002 0.000 0.250 205 V C 2.504 178.607 176.094 0.015 0.000 1.058 205 V CA 3.192 65.526 62.300 0.056 0.000 1.022 205 V CB -1.453 30.507 31.823 0.229 0.000 0.640 205 V HN 1.076 nan 8.190 nan 0.000 0.445 206 Q N 0.141 119.985 119.800 0.073 0.000 2.380 206 Q HA 0.551 4.892 4.340 0.002 0.000 0.254 206 Q C 0.429 176.470 176.000 0.068 0.000 0.927 206 Q CA 1.651 57.496 55.803 0.071 0.000 0.950 206 Q CB -1.363 27.430 28.738 0.093 0.000 1.206 206 Q HN 1.763 nan 8.270 nan 0.000 0.414 207 E N -2.003 118.227 120.200 0.049 0.000 2.422 207 E HA 0.659 5.010 4.350 0.002 0.000 0.280 207 E C -1.136 175.497 176.600 0.055 0.000 1.091 207 E CA -0.270 56.170 56.400 0.068 0.000 0.849 207 E CB -0.042 29.710 29.700 0.087 0.000 1.353 207 E HN 1.192 nan 8.360 nan 0.000 0.449 208 N N -0.151 118.605 118.700 0.092 0.000 2.417 208 N HA 0.649 5.390 4.740 0.002 0.000 0.274 208 N C 0.014 175.602 175.510 0.130 0.000 0.987 208 N CA -0.038 53.074 53.050 0.103 0.000 0.912 208 N CB 1.349 39.914 38.487 0.130 0.000 1.177 208 N HN 1.260 nan 8.380 nan 0.000 0.490 209 K N 0.586 121.057 120.400 0.119 0.000 2.166 209 K HA 0.562 4.883 4.320 0.002 0.000 0.273 209 K C 1.405 178.009 176.600 0.007 0.000 1.095 209 K CA 0.058 56.405 56.287 0.100 0.000 0.985 209 K CB -0.894 31.602 32.500 -0.008 0.000 1.172 209 K HN 2.343 nan 8.250 nan 0.000 0.401 210 G N 0.728 109.551 108.800 0.038 0.000 2.176 210 G HA2 0.146 4.107 3.960 0.002 0.000 0.252 210 G HA3 0.146 4.107 3.960 0.002 0.000 0.252 210 G C 0.827 175.762 174.900 0.059 0.000 1.024 210 G CA 0.725 45.840 45.100 0.025 0.000 0.755 210 G HN 2.421 nan 8.290 nan 0.000 0.507 211 A N -2.818 120.054 122.820 0.086 0.000 2.511 211 A HA 0.379 4.700 4.320 0.002 0.000 0.297 211 A C 1.106 178.761 177.584 0.119 0.000 1.476 211 A CA 2.414 54.515 52.037 0.106 0.000 0.757 211 A CB -1.544 17.508 19.000 0.088 0.000 1.072 211 A HN 2.707 nan 8.150 nan 0.000 0.413 212 S N -1.909 113.871 115.700 0.134 0.000 2.548 212 S HA 0.955 5.426 4.470 0.002 0.000 0.276 212 S C 0.701 175.415 174.600 0.190 0.000 1.129 212 S CA -0.046 58.248 58.200 0.155 0.000 0.931 212 S CB 1.124 64.391 63.200 0.111 0.000 1.068 212 S HN 1.958 nan 8.310 nan 0.000 0.480 213 I N 0.117 120.823 120.570 0.226 0.000 3.812 213 I HA 0.465 4.637 4.170 0.002 0.000 0.292 213 I C 1.378 177.515 176.117 0.034 0.000 1.206 213 I CA 0.558 61.931 61.300 0.123 0.000 1.370 213 I CB -1.305 36.711 38.000 0.027 0.000 1.328 213 I HN 0.643 nan 8.210 nan 0.000 0.453 214 F N 1.708 121.681 119.950 0.038 0.000 2.802 214 F HA 0.230 4.759 4.527 0.002 0.000 0.300 214 F C 1.256 177.079 175.800 0.037 0.000 1.168 214 F CA 0.340 58.361 58.000 0.034 0.000 1.433 214 F CB -0.254 38.763 39.000 0.029 0.000 1.115 214 F HN 0.363 nan 8.300 nan 0.000 0.582 215 N N 0.337 119.157 118.700 0.201 0.000 2.471 215 N HA 0.272 5.013 4.740 0.002 0.000 0.288 215 N C -0.333 175.229 175.510 0.087 0.000 1.220 215 N CA -0.590 52.536 53.050 0.127 0.000 0.893 215 N CB 1.153 39.706 38.487 0.109 0.000 1.256 215 N HN -0.027 nan 8.380 nan 0.000 0.534 216 R N 0.505 121.047 120.500 0.069 0.000 2.537 216 R HA 0.095 4.436 4.340 0.002 0.000 0.280 216 R C -0.075 176.235 176.300 0.016 0.000 1.058 216 R CA 0.193 56.326 56.100 0.055 0.000 1.057 216 R CB 0.455 30.809 30.300 0.090 0.000 0.973 216 R HN 0.595 nan 8.270 nan 0.000 0.438 217 R N 0.689 121.187 120.500 -0.004 0.000 2.771 217 R HA 0.766 5.107 4.340 0.002 0.000 0.274 217 R C -0.640 175.598 176.300 -0.104 0.000 0.987 217 R CA -0.151 55.923 56.100 -0.044 0.000 0.908 217 R CB 1.742 32.065 30.300 0.038 0.000 1.213 217 R HN 0.730 nan 8.270 nan 0.000 0.468 218 G N -0.008 108.688 108.800 -0.173 0.000 2.525 218 G HA2 0.019 3.980 3.960 0.002 0.000 0.685 218 G HA3 0.019 3.980 3.960 0.002 0.000 0.685 218 G C -1.810 172.834 174.900 -0.427 0.000 1.290 218 G CA -0.662 44.331 45.100 -0.177 0.000 0.915 218 G HN 0.484 nan 8.290 nan 0.000 0.548 219 Y N -0.829 119.066 120.300 -0.676 0.000 2.536 219 Y HA 0.738 5.289 4.550 0.001 0.000 0.347 219 Y C 0.574 175.955 175.900 -0.865 0.000 1.000 219 Y CA -0.908 56.693 58.100 -0.832 0.000 1.051 219 Y CB 1.803 39.719 38.460 -0.906 0.000 1.259 219 Y HN 0.771 nan 8.280 nan 0.000 0.468 220 F N -1.461 118.249 119.950 -0.399 0.000 2.470 220 F HA 0.821 5.349 4.527 0.002 0.000 0.329 220 F C 0.029 175.792 175.800 -0.061 0.000 1.072 220 F CA -1.391 56.425 58.000 -0.308 0.000 0.989 220 F CB 0.666 39.405 39.000 -0.435 0.000 1.193 220 F HN 0.259 nan 8.300 nan 0.000 0.481 221 S N 0.652 116.547 115.700 0.326 0.000 2.576 221 S HA 0.069 4.540 4.470 0.002 0.000 0.276 221 S C -0.585 174.271 174.600 0.427 0.000 1.339 221 S CA -0.522 57.889 58.200 0.352 0.000 1.039 221 S CB 0.412 63.772 63.200 0.267 0.000 0.902 221 S HN 0.712 nan 8.310 nan 0.000 0.516 222 D N 2.563 123.193 120.400 0.382 0.000 2.347 222 D HA 0.182 4.823 4.640 0.002 0.000 0.235 222 D C -1.359 175.106 176.300 0.275 0.000 1.149 222 D CA -2.200 52.072 54.000 0.453 0.000 0.850 222 D CB 1.255 42.278 40.800 0.371 0.000 1.061 222 D HN 0.135 nan 8.370 nan 0.000 0.487 223 P HA -0.181 nan 4.420 nan 0.000 0.220 223 P C 0.945 178.388 177.300 0.237 0.000 1.144 223 P CA 0.812 64.028 63.100 0.193 0.000 0.800 223 P CB 0.265 32.011 31.700 0.077 0.000 0.772 224 A N -0.576 122.349 122.820 0.176 0.000 1.968 224 A HA -0.079 4.242 4.320 0.002 0.000 0.217 224 A C 2.142 179.699 177.584 -0.046 0.000 1.169 224 A CA 0.922 52.996 52.037 0.062 0.000 0.638 224 A CB -1.279 17.766 19.000 0.075 0.000 0.812 224 A HN 0.193 nan 8.150 nan 0.000 0.446 225 L N -0.380 120.842 121.223 -0.003 0.000 2.209 225 L HA 0.122 4.463 4.340 0.002 0.000 0.207 225 L C 2.058 178.937 176.870 0.016 0.000 1.094 225 L CA 1.200 56.002 54.840 -0.063 0.000 0.790 225 L CB -0.280 41.747 42.059 -0.054 0.000 0.932 225 L HN 0.392 nan 8.230 nan 0.000 0.447 226 I N -1.229 119.410 120.570 0.115 0.000 2.252 226 I HA -0.266 3.906 4.170 0.002 0.000 0.245 226 I C 2.280 178.563 176.117 0.278 0.000 1.102 226 I CA 0.929 62.357 61.300 0.214 0.000 1.385 226 I CB -0.310 37.852 38.000 0.269 0.000 1.064 226 I HN 0.292 nan 8.210 nan 0.000 0.414 227 L N 0.591 121.929 121.223 0.192 0.000 2.017 227 L HA -0.189 4.152 4.340 0.002 0.000 0.208 227 L C 2.417 179.168 176.870 -0.198 0.000 1.073 227 L CA 1.929 56.662 54.840 -0.179 0.000 0.745 227 L CB -0.490 41.310 42.059 -0.431 0.000 0.894 227 L HN 0.155 nan 8.230 nan 0.000 0.432 228 M N -1.827 117.662 119.600 -0.185 0.000 2.296 228 M HA -0.207 4.274 4.480 0.002 0.000 0.265 228 M C 2.221 178.425 176.300 -0.160 0.000 1.064 228 M CA 1.505 56.670 55.300 -0.225 0.000 1.109 228 M CB -0.561 31.885 32.600 -0.257 0.000 1.396 228 M HN 0.418 nan 8.290 nan 0.000 0.430 229 H N 0.842 119.820 119.070 -0.152 0.000 2.353 229 H HA -0.115 4.442 4.556 0.002 0.000 0.300 229 H C 1.880 177.115 175.328 -0.155 0.000 1.090 229 H CA 1.761 57.721 56.048 -0.147 0.000 1.327 229 H CB 0.218 29.948 29.762 -0.054 0.000 1.383 229 H HN 0.199 nan 8.280 nan 0.000 0.508 230 E N 0.479 120.643 120.200 -0.060 0.000 2.107 230 E HA -0.090 4.261 4.350 0.002 0.000 0.191 230 E C 2.559 179.085 176.600 -0.124 0.000 0.982 230 E CA 0.608 56.998 56.400 -0.017 0.000 0.809 230 E CB -0.263 29.500 29.700 0.105 0.000 0.756 230 E HN 0.532 nan 8.360 nan 0.000 0.459 231 L N 0.557 121.662 121.223 -0.198 0.000 2.191 231 L HA -0.125 4.216 4.340 0.002 0.000 0.212 231 L C 2.379 179.064 176.870 -0.309 0.000 1.103 231 L CA 0.717 55.416 54.840 -0.235 0.000 0.769 231 L CB -0.370 41.509 42.059 -0.299 0.000 0.908 231 L HN 0.104 nan 8.230 nan 0.000 0.438 232 I N -1.312 119.009 120.570 -0.415 0.000 2.353 232 I HA -0.263 3.908 4.170 0.002 0.000 0.248 232 I C 2.570 178.269 176.117 -0.696 0.000 1.119 232 I CA 0.811 61.760 61.300 -0.585 0.000 1.417 232 I CB -0.478 37.169 38.000 -0.588 0.000 1.078 232 I HN 0.301 nan 8.210 nan 0.000 0.421 233 H N 0.349 119.181 119.070 -0.397 0.000 2.353 233 H HA -0.096 4.461 4.556 0.001 0.000 0.300 233 H C 2.493 177.745 175.328 -0.127 0.000 1.090 233 H CA 1.437 57.352 56.048 -0.223 0.000 1.327 233 H CB -0.358 29.328 29.762 -0.126 0.000 1.383 233 H HN 0.159 nan 8.280 nan 0.000 0.508 234 V N 1.298 121.209 119.914 -0.006 0.000 2.255 234 V HA -0.242 3.879 4.120 0.002 0.000 0.247 234 V C 2.759 178.858 176.094 0.009 0.000 1.051 234 V CA 1.593 63.903 62.300 0.017 0.000 1.018 234 V CB -0.847 30.969 31.823 -0.011 0.000 0.641 234 V HN 0.196 nan 8.190 nan 0.000 0.445 235 L N 0.044 121.201 121.223 -0.111 0.000 2.013 235 L HA -0.268 4.073 4.340 0.002 0.000 0.212 235 L C 2.403 179.345 176.870 0.119 0.000 1.073 235 L CA 2.304 57.100 54.840 -0.072 0.000 0.753 235 L CB -0.880 40.980 42.059 -0.330 0.000 0.890 235 L HN 0.465 nan 8.230 nan 0.000 0.432 236 H N -1.448 117.645 119.070 0.038 0.000 2.319 236 H HA -0.105 4.452 4.556 0.002 0.000 0.299 236 H C 2.080 177.501 175.328 0.156 0.000 1.092 236 H CA 0.710 56.806 56.048 0.080 0.000 1.302 236 H CB -0.410 29.385 29.762 0.056 0.000 1.373 236 H HN 0.551 nan 8.280 nan 0.000 0.497 237 G N 0.652 109.607 108.800 0.259 0.000 2.422 237 G HA2 -0.200 3.761 3.960 0.002 0.000 0.218 237 G HA3 -0.200 3.761 3.960 0.002 0.000 0.218 237 G C 1.652 176.671 174.900 0.199 0.000 1.146 237 G CA 0.517 45.743 45.100 0.211 0.000 0.769 237 G HN 0.226 nan 8.290 nan 0.000 0.547 238 L N -1.109 120.220 121.223 0.175 0.000 2.141 238 L HA -0.022 4.319 4.340 0.002 0.000 0.209 238 L C 2.225 179.087 176.870 -0.014 0.000 1.094 238 L CA 0.791 55.679 54.840 0.080 0.000 0.763 238 L CB -0.219 41.861 42.059 0.036 0.000 0.908 238 L HN 0.217 nan 8.230 nan 0.000 0.437 239 Y N -0.099 120.257 120.300 0.093 0.000 2.490 239 Y HA 0.178 4.729 4.550 0.002 0.000 0.281 239 Y C 1.690 177.756 175.900 0.277 0.000 1.174 239 Y CA 0.293 58.464 58.100 0.119 0.000 1.295 239 Y CB -0.163 38.370 38.460 0.122 0.000 1.062 239 Y HN 0.240 nan 8.280 nan 0.000 0.522 240 G N 1.854 110.851 108.800 0.328 0.000 2.273 240 G HA2 -0.307 3.655 3.960 0.002 0.000 0.280 240 G HA3 -0.307 3.655 3.960 0.002 0.000 0.280 240 G C 0.669 175.767 174.900 0.329 0.000 1.047 240 G CA 0.804 46.091 45.100 0.312 0.000 0.869 240 G HN 0.686 nan 8.290 nan 0.000 0.502 241 I N -3.320 117.432 120.570 0.303 0.000 3.936 241 I HA 0.509 4.680 4.170 0.002 0.000 0.330 241 I C 1.076 177.254 176.117 0.101 0.000 1.509 241 I CA -0.294 61.129 61.300 0.205 0.000 1.126 241 I CB 0.471 38.569 38.000 0.164 0.000 1.115 241 I HN 0.038 nan 8.210 nan 0.000 0.424 242 K N 2.903 123.385 120.400 0.136 0.000 3.025 242 K HA 0.153 4.474 4.320 0.002 0.000 0.260 242 K C 0.611 177.239 176.600 0.047 0.000 1.023 242 K CA -0.173 56.168 56.287 0.090 0.000 1.194 242 K CB -0.242 32.334 32.500 0.127 0.000 1.094 242 K HN 0.507 nan 8.250 nan 0.000 0.460 243 V N -1.161 118.787 119.914 0.057 0.000 3.032 243 V HA 0.067 4.188 4.120 0.002 0.000 0.307 243 V C -0.098 176.001 176.094 0.008 0.000 1.097 243 V CA -0.288 62.043 62.300 0.052 0.000 1.191 243 V CB 0.911 32.779 31.823 0.075 0.000 0.964 243 V HN 0.136 nan 8.190 nan 0.000 0.494 244 D N 2.077 122.481 120.400 0.006 0.000 2.217 244 D HA 0.666 5.307 4.640 0.002 0.000 0.248 244 D C -0.309 175.991 176.300 0.000 0.000 1.008 244 D CA -0.127 53.861 54.000 -0.020 0.000 0.914 244 D CB 1.598 42.379 40.800 -0.031 0.000 1.182 244 D HN 0.898 nan 8.370 nan 0.000 0.451 245 D N -0.063 120.327 120.400 -0.015 0.000 3.057 245 D HA 0.168 4.809 4.640 0.002 0.000 0.328 245 D C -1.117 175.171 176.300 -0.020 0.000 1.317 245 D CA -0.572 53.427 54.000 -0.002 0.000 0.973 245 D CB 1.149 41.958 40.800 0.014 0.000 1.424 245 D HN 0.161 nan 8.370 nan 0.000 0.569 246 L N 3.234 124.447 121.223 -0.016 0.000 2.562 246 L HA 0.251 4.592 4.340 0.002 0.000 0.271 246 L C -2.039 174.793 176.870 -0.064 0.000 1.167 246 L CA -0.183 54.636 54.840 -0.035 0.000 0.917 246 L CB 0.239 42.282 42.059 -0.028 0.000 1.187 246 L HN 0.137 nan 8.230 nan 0.000 0.482 247 P HA 0.227 nan 4.420 nan 0.000 0.283 247 P C -0.921 176.314 177.300 -0.108 0.000 1.271 247 P CA -0.697 62.355 63.100 -0.080 0.000 0.841 247 P CB 1.383 33.050 31.700 -0.055 0.000 1.122 248 I N 2.440 122.965 120.570 -0.075 0.000 2.308 248 I HA 0.090 4.261 4.170 0.002 0.000 0.293 248 I C 0.577 176.718 176.117 0.040 0.000 1.078 248 I CA -0.437 60.830 61.300 -0.055 0.000 1.292 248 I CB 0.296 38.338 38.000 0.069 0.000 1.423 248 I HN 0.119 nan 8.210 nan 0.000 0.493 249 V N 7.298 127.188 119.914 -0.040 0.000 2.472 249 V HA 0.670 4.791 4.120 0.002 0.000 0.290 249 V C -2.451 173.595 176.094 -0.080 0.000 1.037 249 V CA -1.999 60.290 62.300 -0.020 0.000 0.908 249 V CB 1.450 33.239 31.823 -0.056 0.000 0.985 249 V HN 0.482 nan 8.190 nan 0.000 0.454 250 P HA 0.224 nan 4.420 nan 0.000 0.282 250 P C -0.667 176.465 177.300 -0.280 0.000 1.249 250 P CA -0.396 62.470 63.100 -0.390 0.000 0.806 250 P CB 1.168 32.582 31.700 -0.478 0.000 0.984 251 N N 1.972 120.473 118.700 -0.331 0.000 2.513 251 N HA 0.015 4.756 4.740 0.002 0.000 0.268 251 N C 0.082 175.415 175.510 -0.296 0.000 1.180 251 N CA 0.427 53.311 53.050 -0.276 0.000 0.948 251 N CB 0.221 38.511 38.487 -0.330 0.000 1.083 251 N HN 0.366 nan 8.380 nan 0.000 0.455 252 E N 1.528 121.586 120.200 -0.237 0.000 2.846 252 E HA 0.124 4.475 4.350 0.002 0.000 0.211 252 E C 0.381 176.852 176.600 -0.214 0.000 0.975 252 E CA -0.109 56.164 56.400 -0.213 0.000 1.211 252 E CB 0.561 30.188 29.700 -0.121 0.000 1.052 252 E HN 0.553 nan 8.360 nan 0.000 0.487 253 K N 0.646 120.892 120.400 -0.256 0.000 2.365 253 K HA 0.026 4.347 4.320 0.002 0.000 0.199 253 K C 0.516 176.964 176.600 -0.252 0.000 1.045 253 K CA 0.750 56.914 56.287 -0.205 0.000 0.962 253 K CB 0.265 32.666 32.500 -0.166 0.000 0.759 253 K HN -0.141 nan 8.250 nan 0.000 0.469 254 K N 0.549 120.664 120.400 -0.475 0.000 2.259 254 K HA 0.119 4.440 4.320 0.002 0.000 0.249 254 K C 0.704 176.928 176.600 -0.626 0.000 0.942 254 K CA -0.596 55.314 56.287 -0.629 0.000 0.816 254 K CB 1.107 32.830 32.500 -1.295 0.000 1.155 254 K HN -0.058 nan 8.250 nan 0.000 0.428 255 F N 0.822 120.582 119.950 -0.317 0.000 2.373 255 F HA -0.154 4.371 4.527 -0.003 0.000 0.300 255 F C 1.135 176.882 175.800 -0.088 0.000 1.080 255 F CA 0.828 58.739 58.000 -0.148 0.000 1.417 255 F CB -0.600 38.392 39.000 -0.013 0.000 1.070 255 F HN 0.432 nan 8.300 nan 0.000 0.546 256 F N -0.429 119.035 119.950 -0.810 0.000 2.727 256 F HA 0.451 4.986 4.527 0.013 0.000 0.302 256 F C 0.467 176.285 175.800 0.031 0.000 1.097 256 F CA -1.343 56.481 58.000 -0.292 0.000 1.330 256 F CB -1.103 37.748 39.000 -0.247 0.000 1.084 256 F HN -0.134 nan 8.300 nan 0.000 0.578 257 M N 1.910 121.271 119.600 -0.399 0.000 2.249 257 M HA 0.202 4.683 4.480 0.002 0.000 0.351 257 M C 0.062 176.326 176.300 -0.060 0.000 1.180 257 M CA -0.331 54.852 55.300 -0.195 0.000 1.127 257 M CB 1.339 33.665 32.600 -0.457 0.000 1.546 257 M HN 0.195 nan 8.290 nan 0.000 0.461 258 Q N 1.867 121.688 119.800 0.035 0.000 2.296 258 Q HA 0.205 4.546 4.340 0.002 0.000 0.262 258 Q C -1.044 174.995 176.000 0.065 0.000 0.981 258 Q CA -0.171 55.692 55.803 0.101 0.000 0.905 258 Q CB 0.871 29.750 28.738 0.234 0.000 1.186 258 Q HN 0.696 nan 8.270 nan 0.000 0.399 259 S N 3.167 118.937 115.700 0.117 0.000 2.513 259 S HA 0.505 4.976 4.470 0.002 0.000 0.276 259 S C -0.397 174.285 174.600 0.137 0.000 1.254 259 S CA -0.385 57.878 58.200 0.104 0.000 1.053 259 S CB 1.561 64.851 63.200 0.150 0.000 0.958 259 S HN 0.749 nan 8.310 nan 0.000 0.491 260 T N 1.560 116.182 114.554 0.114 0.000 2.749 260 T HA 0.241 4.592 4.350 0.002 0.000 0.310 260 T C -1.884 172.884 174.700 0.112 0.000 1.496 260 T CA -0.849 61.337 62.100 0.143 0.000 1.006 260 T CB 0.916 69.948 68.868 0.274 0.000 1.457 260 T HN 0.445 nan 8.240 nan 0.000 0.497 261 D N 1.610 122.071 120.400 0.102 0.000 2.357 261 D HA 0.474 5.115 4.640 0.002 0.000 0.242 261 D C 0.532 176.893 176.300 0.102 0.000 1.153 261 D CA 0.031 54.078 54.000 0.077 0.000 0.918 261 D CB 0.977 41.814 40.800 0.063 0.000 1.181 261 D HN 0.823 nan 8.370 nan 0.000 0.435 262 A N 1.463 124.320 122.820 0.061 0.000 2.483 262 A HA 0.258 4.579 4.320 0.002 0.000 0.238 262 A C 0.261 177.875 177.584 0.050 0.000 1.070 262 A CA 0.036 52.104 52.037 0.053 0.000 0.770 262 A CB -0.026 18.980 19.000 0.010 0.000 1.008 262 A HN 0.502 nan 8.150 nan 0.000 0.497 263 I N 2.468 123.067 120.570 0.047 0.000 2.362 263 I HA 0.190 4.361 4.170 0.002 0.000 0.289 263 I C 0.025 176.090 176.117 -0.086 0.000 0.994 263 I CA -0.457 60.826 61.300 -0.028 0.000 1.158 263 I CB 1.485 39.445 38.000 -0.067 0.000 1.315 263 I HN 0.617 nan 8.210 nan 0.000 0.451 264 Q N 3.620 123.355 119.800 -0.109 0.000 2.306 264 Q HA 0.335 4.676 4.340 0.002 0.000 0.241 264 Q C 1.005 176.886 176.000 -0.198 0.000 0.948 264 Q CA -0.180 55.547 55.803 -0.128 0.000 0.886 264 Q CB 1.575 30.248 28.738 -0.108 0.000 1.227 264 Q HN 0.838 nan 8.270 nan 0.000 0.457 265 A N 1.606 124.278 122.820 -0.247 0.000 1.933 265 A HA -0.209 4.112 4.320 0.002 0.000 0.218 265 A C 1.765 178.972 177.584 -0.628 0.000 1.175 265 A CA 1.625 53.391 52.037 -0.452 0.000 0.628 265 A CB -0.266 18.429 19.000 -0.508 0.000 0.814 265 A HN 0.814 nan 8.150 nan 0.000 0.444 266 E N 0.435 120.403 120.200 -0.387 0.000 2.130 266 E HA -0.248 4.103 4.350 0.002 0.000 0.196 266 E C 1.773 178.379 176.600 0.010 0.000 0.998 266 E CA 1.771 58.053 56.400 -0.197 0.000 0.806 266 E CB -0.174 29.490 29.700 -0.060 0.000 0.738 266 E HN 0.791 nan 8.360 nan 0.000 0.459 267 E N 0.268 120.465 120.200 -0.005 0.000 2.028 267 E HA -0.137 4.214 4.350 0.002 0.000 0.191 267 E C 2.425 179.064 176.600 0.065 0.000 0.988 267 E CA 1.126 57.593 56.400 0.111 0.000 0.799 267 E CB -0.145 29.537 29.700 -0.029 0.000 0.755 267 E HN 0.274 nan 8.360 nan 0.000 0.447 268 L N 0.216 121.368 121.223 -0.118 0.000 2.131 268 L HA -0.184 4.157 4.340 0.002 0.000 0.210 268 L C 2.396 179.420 176.870 0.257 0.000 1.092 268 L CA 0.826 55.649 54.840 -0.029 0.000 0.759 268 L CB -0.492 41.501 42.059 -0.111 0.000 0.903 268 L HN 0.185 nan 8.230 nan 0.000 0.435 269 Y N 0.478 120.858 120.300 0.132 0.000 2.181 269 Y HA -0.193 4.358 4.550 0.002 0.000 0.288 269 Y C 2.936 178.928 175.900 0.152 0.000 1.146 269 Y CA 1.136 59.335 58.100 0.164 0.000 1.164 269 Y CB -1.551 36.941 38.460 0.052 0.000 0.982 269 Y HN 0.162 nan 8.280 nan 0.000 0.515 270 T N 0.504 115.244 114.554 0.310 0.000 2.684 270 T HA -0.244 4.107 4.350 0.002 0.000 0.267 270 T C 1.776 176.588 174.700 0.186 0.000 1.036 270 T CA 1.639 63.824 62.100 0.140 0.000 1.148 270 T CB -0.835 67.955 68.868 -0.129 0.000 0.863 270 T HN 0.302 nan 8.240 nan 0.000 0.436 271 F N 1.652 121.723 119.950 0.203 0.000 2.146 271 F HA 0.207 4.736 4.527 0.003 0.000 0.298 271 F C 1.617 177.487 175.800 0.117 0.000 1.096 271 F CA 1.253 59.360 58.000 0.177 0.000 1.275 271 F CB -0.627 38.470 39.000 0.160 0.000 1.008 271 F HN 0.428 nan 8.300 nan 0.000 0.480 272 G N -0.372 108.613 108.800 0.309 0.000 2.542 272 G HA2 0.201 4.163 3.960 0.002 0.000 0.235 272 G HA3 0.201 4.163 3.960 0.002 0.000 0.235 272 G C 0.740 175.824 174.900 0.307 0.000 1.286 272 G CA 0.038 45.269 45.100 0.218 0.000 0.904 272 G HN 1.564 nan 8.290 nan 0.000 0.577 273 G N -1.139 107.764 108.800 0.172 0.000 2.556 273 G HA2 -0.059 3.902 3.960 0.002 0.000 0.283 273 G HA3 -0.059 3.902 3.960 0.002 0.000 0.283 273 G C 1.262 176.280 174.900 0.195 0.000 1.177 273 G CA 2.350 47.565 45.100 0.191 0.000 0.978 273 G HN 2.350 nan 8.290 nan 0.000 0.554 274 Q N -0.380 119.542 119.800 0.204 0.000 2.354 274 Q HA 0.155 4.496 4.340 0.002 0.000 0.203 274 Q C 1.719 177.830 176.000 0.185 0.000 0.933 274 Q CA 1.338 57.241 55.803 0.167 0.000 0.901 274 Q CB -0.003 28.812 28.738 0.128 0.000 1.007 274 Q HN 0.560 nan 8.270 nan 0.000 0.495 275 D N 2.133 122.660 120.400 0.212 0.000 2.172 275 D HA -0.145 4.496 4.640 0.002 0.000 0.196 275 D C -0.720 175.708 176.300 0.214 0.000 0.999 275 D CA 1.429 55.545 54.000 0.194 0.000 0.856 275 D CB -1.327 39.558 40.800 0.141 0.000 0.934 275 D HN 0.348 nan 8.370 nan 0.000 0.453 276 P HA -0.056 nan 4.420 nan 0.000 0.216 276 P C 1.344 178.805 177.300 0.267 0.000 1.150 276 P CA 1.230 64.535 63.100 0.341 0.000 0.837 276 P CB 0.010 31.895 31.700 0.310 0.000 0.786 277 S N -0.966 114.863 115.700 0.215 0.000 2.469 277 S HA -0.068 4.403 4.470 0.002 0.000 0.238 277 S C 1.672 176.399 174.600 0.212 0.000 0.998 277 S CA 0.774 59.101 58.200 0.212 0.000 0.957 277 S CB -0.932 62.392 63.200 0.206 0.000 0.764 277 S HN 0.199 nan 8.310 nan 0.000 0.514 278 I N 1.064 121.755 120.570 0.203 0.000 3.111 278 I HA 0.018 4.189 4.170 0.002 0.000 0.272 278 I C -0.180 176.071 176.117 0.223 0.000 1.268 278 I CA 0.544 61.969 61.300 0.208 0.000 1.467 278 I CB -0.021 38.093 38.000 0.190 0.000 1.087 278 I HN 0.185 nan 8.210 nan 0.000 0.467 279 I N 2.318 123.013 120.570 0.209 0.000 2.291 279 I HA 0.067 4.239 4.170 0.002 0.000 0.290 279 I C 1.080 177.331 176.117 0.223 0.000 1.050 279 I CA -0.223 61.193 61.300 0.193 0.000 1.245 279 I CB 0.536 38.655 38.000 0.198 0.000 1.405 279 I HN 0.085 nan 8.210 nan 0.000 0.478 280 T N 4.963 119.649 114.554 0.220 0.000 2.856 280 T HA 0.092 4.443 4.350 0.002 0.000 0.329 280 T C -1.734 173.066 174.700 0.166 0.000 1.094 280 T CA -0.690 61.524 62.100 0.190 0.000 1.112 280 T CB 0.454 69.432 68.868 0.184 0.000 1.009 280 T HN 0.333 nan 8.240 nan 0.000 0.550 281 P HA -0.007 nan 4.420 nan 0.000 0.222 281 P C 1.704 179.048 177.300 0.073 0.000 1.147 281 P CA 0.726 63.891 63.100 0.109 0.000 0.790 281 P CB -0.014 31.739 31.700 0.089 0.000 0.780 282 S N -1.073 114.668 115.700 0.068 0.000 2.343 282 S HA -0.125 4.346 4.470 0.002 0.000 0.219 282 S C 1.901 176.549 174.600 0.080 0.000 1.033 282 S CA 1.836 60.066 58.200 0.051 0.000 1.014 282 S CB -1.359 61.868 63.200 0.046 0.000 0.915 282 S HN 0.229 nan 8.310 nan 0.000 0.435 283 T N 2.259 116.876 114.554 0.105 0.000 2.915 283 T HA -0.079 4.272 4.350 0.002 0.000 0.269 283 T C 1.300 176.104 174.700 0.175 0.000 1.071 283 T CA 1.025 63.194 62.100 0.116 0.000 1.132 283 T CB -0.421 68.505 68.868 0.096 0.000 0.878 283 T HN 0.295 nan 8.240 nan 0.000 0.479 284 D N 1.370 121.899 120.400 0.215 0.000 2.104 284 D HA -0.061 4.580 4.640 0.002 0.000 0.194 284 D C 2.157 178.613 176.300 0.261 0.000 0.994 284 D CA 1.147 55.337 54.000 0.316 0.000 0.830 284 D CB -0.106 40.859 40.800 0.275 0.000 0.959 284 D HN 0.349 nan 8.370 nan 0.000 0.452 285 K N 0.479 120.964 120.400 0.141 0.000 2.148 285 K HA -0.068 4.253 4.320 0.002 0.000 0.204 285 K C 2.233 178.924 176.600 0.151 0.000 1.050 285 K CA 0.659 57.002 56.287 0.092 0.000 0.942 285 K CB -0.050 32.454 32.500 0.006 0.000 0.724 285 K HN -0.076 nan 8.250 nan 0.000 0.446 286 S N 1.299 117.078 115.700 0.130 0.000 2.354 286 S HA -0.153 4.318 4.470 0.002 0.000 0.219 286 S C 1.927 176.613 174.600 0.143 0.000 1.035 286 S CA 1.233 59.501 58.200 0.113 0.000 1.037 286 S CB -0.261 62.992 63.200 0.088 0.000 0.956 286 S HN 0.211 nan 8.310 nan 0.000 0.428 287 I N 0.276 120.955 120.570 0.183 0.000 2.194 287 I HA -0.221 3.950 4.170 0.002 0.000 0.246 287 I C 2.307 178.562 176.117 0.230 0.000 1.093 287 I CA 2.061 63.489 61.300 0.212 0.000 1.355 287 I CB -0.567 37.611 38.000 0.297 0.000 1.046 287 I HN 0.473 nan 8.210 nan 0.000 0.413 288 Y N 2.067 122.415 120.300 0.079 0.000 2.097 288 Y HA -0.340 4.211 4.550 0.002 0.000 0.282 288 Y C 2.193 178.024 175.900 -0.115 0.000 1.152 288 Y CA 2.081 60.076 58.100 -0.175 0.000 1.136 288 Y CB -0.308 38.022 38.460 -0.218 0.000 0.975 288 Y HN 0.174 nan 8.280 nan 0.000 0.498 289 D N 0.142 120.651 120.400 0.183 0.000 2.133 289 D HA -0.184 4.457 4.640 0.002 0.000 0.195 289 D C 2.016 178.292 176.300 -0.039 0.000 0.997 289 D CA 1.729 55.763 54.000 0.056 0.000 0.840 289 D CB -0.206 40.651 40.800 0.095 0.000 0.947 289 D HN 0.410 nan 8.370 nan 0.000 0.452 290 K N 0.120 120.523 120.400 0.006 0.000 2.026 290 K HA -0.070 4.251 4.320 0.002 0.000 0.208 290 K C 2.174 178.757 176.600 -0.029 0.000 1.048 290 K CA 0.708 56.998 56.287 0.005 0.000 0.929 290 K CB -0.180 32.348 32.500 0.047 0.000 0.713 290 K HN 0.012 nan 8.250 nan 0.000 0.439 291 V N 1.865 121.752 119.914 -0.045 0.000 2.295 291 V HA -0.249 3.872 4.120 0.002 0.000 0.246 291 V C 2.233 178.191 176.094 -0.227 0.000 1.049 291 V CA 1.535 63.784 62.300 -0.086 0.000 1.024 291 V CB -0.487 31.312 31.823 -0.040 0.000 0.648 291 V HN 0.280 nan 8.190 nan 0.000 0.447 292 L N 0.462 121.474 121.223 -0.352 0.000 2.042 292 L HA -0.222 4.119 4.340 0.002 0.000 0.210 292 L C 2.437 179.115 176.870 -0.320 0.000 1.076 292 L CA 2.467 56.942 54.840 -0.608 0.000 0.749 292 L CB -1.081 40.482 42.059 -0.826 0.000 0.893 292 L HN 0.429 nan 8.230 nan 0.000 0.432 293 Q N -0.221 119.461 119.800 -0.197 0.000 2.135 293 Q HA -0.219 4.122 4.340 0.002 0.000 0.204 293 Q C 2.035 177.994 176.000 -0.069 0.000 0.981 293 Q CA 1.975 57.709 55.803 -0.116 0.000 0.856 293 Q CB -0.437 28.256 28.738 -0.074 0.000 0.902 293 Q HN 0.579 nan 8.270 nan 0.000 0.425 294 N N -0.726 117.961 118.700 -0.020 0.000 2.166 294 N HA -0.115 4.626 4.740 0.002 0.000 0.186 294 N C 1.085 176.648 175.510 0.089 0.000 1.019 294 N CA 1.030 54.092 53.050 0.020 0.000 0.856 294 N CB -0.288 38.265 38.487 0.111 0.000 0.993 294 N HN 0.259 nan 8.380 nan 0.000 0.426 295 F N 1.348 121.222 119.950 -0.127 0.000 2.367 295 F HA 0.123 4.652 4.527 0.002 0.000 0.298 295 F C 2.187 177.905 175.800 -0.136 0.000 1.094 295 F CA 0.358 58.321 58.000 -0.062 0.000 1.409 295 F CB -0.267 38.840 39.000 0.178 0.000 1.064 295 F HN -0.022 nan 8.300 nan 0.000 0.528 296 R N -0.261 120.227 120.500 -0.019 0.000 2.075 296 R HA -0.090 4.251 4.340 0.002 0.000 0.232 296 R C 2.580 178.771 176.300 -0.183 0.000 1.126 296 R CA 1.235 57.248 56.100 -0.144 0.000 0.963 296 R CB -1.173 29.045 30.300 -0.138 0.000 0.858 296 R HN 0.348 nan 8.270 nan 0.000 0.435 297 G N 1.819 110.515 108.800 -0.175 0.000 2.446 297 G HA2 -0.225 3.736 3.960 0.002 0.000 0.217 297 G HA3 -0.225 3.736 3.960 0.002 0.000 0.217 297 G C 1.376 176.101 174.900 -0.291 0.000 1.168 297 G CA 0.583 45.558 45.100 -0.209 0.000 0.771 297 G HN 0.065 nan 8.290 nan 0.000 0.551 298 I N 0.729 121.051 120.570 -0.414 0.000 2.179 298 I HA -0.097 4.074 4.170 0.002 0.000 0.242 298 I C 2.888 178.830 176.117 -0.292 0.000 1.088 298 I CA 0.683 61.665 61.300 -0.529 0.000 1.357 298 I CB -1.314 36.169 38.000 -0.861 0.000 1.051 298 I HN 0.105 nan 8.210 nan 0.000 0.409 299 V N 1.266 120.948 119.914 -0.386 0.000 2.594 299 V HA -0.285 3.836 4.120 0.002 0.000 0.253 299 V C 2.191 178.113 176.094 -0.287 0.000 1.069 299 V CA 2.370 64.259 62.300 -0.686 0.000 1.082 299 V CB -0.398 30.663 31.823 -1.270 0.000 0.680 299 V HN 0.391 nan 8.190 nan 0.000 0.469 300 D N -0.311 119.961 120.400 -0.213 0.000 2.103 300 D HA -0.156 4.485 4.640 0.002 0.000 0.199 300 D C 2.341 178.610 176.300 -0.052 0.000 0.978 300 D CA 1.411 55.342 54.000 -0.116 0.000 0.829 300 D CB -0.147 40.588 40.800 -0.108 0.000 0.981 300 D HN 0.386 nan 8.370 nan 0.000 0.464 301 R N -0.175 120.289 120.500 -0.061 0.000 2.091 301 R HA -0.063 4.278 4.340 0.002 0.000 0.238 301 R C 2.503 178.859 176.300 0.095 0.000 1.136 301 R CA 0.939 57.047 56.100 0.012 0.000 0.959 301 R CB -0.435 29.863 30.300 -0.003 0.000 0.856 301 R HN 0.295 nan 8.270 nan 0.000 0.437 302 L N 0.998 122.306 121.223 0.142 0.000 2.187 302 L HA -0.198 4.143 4.340 0.002 0.000 0.213 302 L C 1.546 178.606 176.870 0.318 0.000 1.100 302 L CA 0.982 55.987 54.840 0.275 0.000 0.765 302 L CB -0.425 41.780 42.059 0.244 0.000 0.904 302 L HN 0.295 nan 8.230 nan 0.000 0.437 303 N N -0.115 118.704 118.700 0.198 0.000 2.446 303 N HA -0.058 4.683 4.740 0.002 0.000 0.179 303 N C 1.400 176.938 175.510 0.047 0.000 1.054 303 N CA 0.781 53.901 53.050 0.116 0.000 0.905 303 N CB 0.310 38.821 38.487 0.040 0.000 0.973 303 N HN 0.421 nan 8.380 nan 0.000 0.448 304 K N -0.021 120.399 120.400 0.034 0.000 2.391 304 K HA 0.156 4.477 4.320 0.002 0.000 0.197 304 K C 0.325 176.903 176.600 -0.036 0.000 1.087 304 K CA -0.122 56.164 56.287 -0.003 0.000 1.012 304 K CB 1.143 33.638 32.500 -0.007 0.000 0.925 304 K HN -0.147 nan 8.250 nan 0.000 0.547 305 V N 2.404 122.280 119.914 -0.063 0.000 2.617 305 V HA -0.073 4.048 4.120 0.002 0.000 0.304 305 V C 0.585 176.574 176.094 -0.175 0.000 1.040 305 V CA 0.855 63.017 62.300 -0.231 0.000 1.149 305 V CB 0.311 31.834 31.823 -0.499 0.000 0.914 305 V HN 0.237 nan 8.190 nan 0.000 0.487 306 L N 6.444 127.561 121.223 -0.176 0.000 2.885 306 L HA 0.365 4.706 4.340 0.002 0.000 0.251 306 L C 0.167 176.990 176.870 -0.078 0.000 1.071 306 L CA 0.597 55.382 54.840 -0.092 0.000 0.956 306 L CB 0.865 42.893 42.059 -0.051 0.000 1.483 306 L HN 0.649 nan 8.230 nan 0.000 0.525 307 V N -4.239 115.614 119.914 -0.100 0.000 3.181 307 V HA 0.569 4.690 4.120 0.002 0.000 0.307 307 V C -1.575 174.521 176.094 0.003 0.000 1.310 307 V CA -1.237 61.044 62.300 -0.031 0.000 1.067 307 V CB 2.253 34.071 31.823 -0.007 0.000 1.081 307 V HN 0.031 nan 8.190 nan 0.000 0.453 308 C N 3.585 122.926 119.300 0.067 0.000 2.801 308 C HA 0.573 5.034 4.460 0.002 0.000 0.296 308 C C 1.549 176.575 174.990 0.060 0.000 1.054 308 C CA -0.215 58.872 59.018 0.114 0.000 1.442 308 C CB -0.648 27.189 27.740 0.163 0.000 1.860 308 C HN 1.010 nan 8.230 nan 0.000 0.459 309 I N 3.851 124.445 120.570 0.041 0.000 2.163 309 I HA -0.073 4.098 4.170 0.002 0.000 0.243 309 I C 2.194 178.318 176.117 0.013 0.000 1.085 309 I CA 2.566 63.879 61.300 0.021 0.000 1.347 309 I CB -1.895 36.111 38.000 0.011 0.000 1.044 309 I HN 0.710 nan 8.210 nan 0.000 0.408 310 S N 0.758 116.464 115.700 0.011 0.000 2.400 310 S HA -0.220 4.251 4.470 0.002 0.000 0.232 310 S C 0.739 175.334 174.600 -0.008 0.000 1.025 310 S CA 1.326 59.521 58.200 -0.007 0.000 0.993 310 S CB -0.623 62.570 63.200 -0.013 0.000 0.808 310 S HN 0.709 nan 8.310 nan 0.000 0.478 311 D N 0.505 120.911 120.400 0.010 0.000 2.375 311 D HA 0.446 5.087 4.640 0.002 0.000 0.241 311 D C -2.632 173.686 176.300 0.030 0.000 1.361 311 D CA -1.962 52.044 54.000 0.010 0.000 0.995 311 D CB 1.760 42.563 40.800 0.006 0.000 1.312 311 D HN -0.146 nan 8.370 nan 0.000 0.576 312 P HA -0.028 nan 4.420 nan 0.000 0.225 312 P C 0.821 178.147 177.300 0.043 0.000 1.148 312 P CA 0.615 63.734 63.100 0.033 0.000 0.779 312 P CB 0.172 31.885 31.700 0.021 0.000 0.780 313 N N -0.715 118.011 118.700 0.043 0.000 2.412 313 N HA -0.005 4.736 4.740 0.002 0.000 0.184 313 N C 0.130 175.693 175.510 0.088 0.000 1.101 313 N CA -0.117 52.966 53.050 0.055 0.000 0.881 313 N CB 0.117 38.629 38.487 0.041 0.000 0.969 313 N HN -0.030 nan 8.380 nan 0.000 0.459 314 I N 2.131 122.759 120.570 0.098 0.000 2.618 314 I HA -0.060 4.111 4.170 0.002 0.000 0.284 314 I C 0.510 176.728 176.117 0.169 0.000 1.146 314 I CA 0.191 61.573 61.300 0.137 0.000 1.425 314 I CB 0.355 38.386 38.000 0.051 0.000 1.383 314 I HN 0.070 nan 8.210 nan 0.000 0.562 315 N N 7.564 126.406 118.700 0.236 0.000 2.521 315 N HA 0.106 4.847 4.740 0.002 0.000 0.236 315 N C 1.037 176.723 175.510 0.292 0.000 1.067 315 N CA -0.422 52.753 53.050 0.209 0.000 0.939 315 N CB 0.570 39.149 38.487 0.152 0.000 1.201 315 N HN 0.325 nan 8.380 nan 0.000 0.511 316 I N 2.232 122.962 120.570 0.267 0.000 2.143 316 I HA -0.352 3.819 4.170 0.002 0.000 0.245 316 I C 1.684 177.992 176.117 0.319 0.000 1.068 316 I CA 1.140 62.641 61.300 0.336 0.000 1.326 316 I CB -0.916 37.197 38.000 0.187 0.000 1.028 316 I HN 0.527 nan 8.210 nan 0.000 0.412 317 N N 1.048 119.873 118.700 0.208 0.000 2.058 317 N HA -0.148 4.593 4.740 0.002 0.000 0.191 317 N C 1.928 177.522 175.510 0.140 0.000 1.037 317 N CA 1.216 54.370 53.050 0.175 0.000 0.848 317 N CB -0.345 38.214 38.487 0.120 0.000 1.021 317 N HN 0.248 nan 8.380 nan 0.000 0.422 318 I N 0.566 121.187 120.570 0.084 0.000 2.236 318 I HA -0.288 3.883 4.170 0.002 0.000 0.249 318 I C 1.930 177.938 176.117 -0.182 0.000 1.102 318 I CA 1.336 62.605 61.300 -0.053 0.000 1.365 318 I CB -1.164 36.777 38.000 -0.100 0.000 1.051 318 I HN 0.147 nan 8.210 nan 0.000 0.420 319 Y N 1.018 121.257 120.300 -0.100 0.000 2.337 319 Y HA -0.111 4.440 4.550 0.002 0.000 0.293 319 Y C 2.572 178.372 175.900 -0.167 0.000 1.123 319 Y CA 1.180 59.090 58.100 -0.316 0.000 1.201 319 Y CB -0.189 38.083 38.460 -0.313 0.000 1.011 319 Y HN 0.098 nan 8.280 nan 0.000 0.545 320 K N -0.101 120.474 120.400 0.292 0.000 2.148 320 K HA -0.138 4.183 4.320 0.002 0.000 0.204 320 K C 1.572 178.244 176.600 0.119 0.000 1.050 320 K CA 1.252 57.733 56.287 0.322 0.000 0.942 320 K CB -0.094 32.632 32.500 0.375 0.000 0.724 320 K HN 0.289 nan 8.250 nan 0.000 0.446 321 N N 1.228 119.968 118.700 0.066 0.000 2.106 321 N HA -0.155 4.586 4.740 0.002 0.000 0.188 321 N C 1.649 177.117 175.510 -0.070 0.000 1.029 321 N CA 1.111 54.174 53.050 0.021 0.000 0.848 321 N CB -0.179 38.315 38.487 0.011 0.000 1.007 321 N HN 0.012 nan 8.380 nan 0.000 0.423 322 K N 1.073 121.343 120.400 -0.217 0.000 2.009 322 K HA 0.015 4.336 4.320 0.002 0.000 0.210 322 K C 1.946 178.429 176.600 -0.196 0.000 1.049 322 K CA 1.265 57.360 56.287 -0.320 0.000 0.929 322 K CB -0.767 31.359 32.500 -0.624 0.000 0.714 322 K HN 0.172 nan 8.250 nan 0.000 0.440 323 F N 1.008 120.944 119.950 -0.023 0.000 2.126 323 F HA -0.193 4.335 4.527 0.002 0.000 0.299 323 F C 2.408 178.197 175.800 -0.019 0.000 1.096 323 F CA 1.137 59.162 58.000 0.043 0.000 1.255 323 F CB -0.175 38.981 39.000 0.260 0.000 0.997 323 F HN 0.113 nan 8.300 nan 0.000 0.479 324 K N 0.381 120.852 120.400 0.119 0.000 2.103 324 K HA -0.251 4.070 4.320 0.002 0.000 0.207 324 K C 1.860 178.470 176.600 0.017 0.000 1.048 324 K CA 1.801 58.107 56.287 0.032 0.000 0.930 324 K CB -0.279 32.189 32.500 -0.053 0.000 0.716 324 K HN 0.186 nan 8.250 nan 0.000 0.444 325 D N 0.839 121.236 120.400 -0.005 0.000 2.137 325 D HA -0.145 4.496 4.640 0.002 0.000 0.202 325 D C 1.814 178.077 176.300 -0.062 0.000 0.970 325 D CA 0.913 54.904 54.000 -0.015 0.000 0.837 325 D CB 0.150 40.933 40.800 -0.028 0.000 0.981 325 D HN 0.186 nan 8.370 nan 0.000 0.475 326 K N -0.250 120.068 120.400 -0.136 0.000 1.977 326 K HA -0.214 4.107 4.320 0.002 0.000 0.218 326 K C 1.800 178.207 176.600 -0.321 0.000 1.051 326 K CA 1.445 57.566 56.287 -0.276 0.000 0.953 326 K CB -0.413 31.771 32.500 -0.526 0.000 0.727 326 K HN 0.188 nan 8.250 nan 0.000 0.445 327 Y N 1.281 121.358 120.300 -0.371 0.000 2.553 327 Y HA 0.089 4.640 4.550 0.002 0.000 0.303 327 Y C 0.086 175.748 175.900 -0.397 0.000 1.194 327 Y CA 0.005 57.721 58.100 -0.641 0.000 1.305 327 Y CB 0.238 37.688 38.460 -1.685 0.000 1.045 327 Y HN 0.072 nan 8.280 nan 0.000 0.514 328 K N -0.193 120.169 120.400 -0.063 0.000 3.012 328 K HA -0.236 4.085 4.320 0.002 0.000 0.259 328 K C -0.478 176.283 176.600 0.268 0.000 0.989 328 K CA 0.618 56.972 56.287 0.111 0.000 0.728 328 K CB -2.376 30.225 32.500 0.169 0.000 1.260 328 K HN 0.456 nan 8.250 nan 0.000 0.480 329 F N -0.167 119.910 119.950 0.211 0.000 2.444 329 F HA 0.180 4.708 4.527 0.002 0.000 0.331 329 F C 1.688 177.601 175.800 0.188 0.000 1.167 329 F CA -1.038 57.075 58.000 0.189 0.000 1.262 329 F CB 0.674 39.750 39.000 0.126 0.000 1.196 329 F HN -0.089 nan 8.300 nan 0.000 0.583 330 V N -0.298 119.853 119.914 0.396 0.000 2.850 330 V HA 0.588 4.709 4.120 0.002 0.000 0.315 330 V C -0.786 175.494 176.094 0.310 0.000 1.064 330 V CA -0.744 61.730 62.300 0.290 0.000 0.979 330 V CB 1.768 33.714 31.823 0.205 0.000 1.039 330 V HN 0.859 nan 8.190 nan 0.000 0.452 331 E N 1.752 122.104 120.200 0.254 0.000 2.263 331 E HA 0.400 4.751 4.350 0.002 0.000 0.268 331 E C -1.333 175.319 176.600 0.087 0.000 0.884 331 E CA -0.675 55.841 56.400 0.193 0.000 0.766 331 E CB 2.094 31.970 29.700 0.292 0.000 1.196 331 E HN 0.978 nan 8.360 nan 0.000 0.416 332 D N 2.058 122.472 120.400 0.024 0.000 2.414 332 D HA -0.007 4.634 4.640 0.002 0.000 0.251 332 D C 1.067 177.367 176.300 0.001 0.000 1.252 332 D CA -0.030 53.978 54.000 0.013 0.000 0.999 332 D CB 0.592 41.390 40.800 -0.004 0.000 1.093 332 D HN 0.356 nan 8.370 nan 0.000 0.515 333 S N -1.591 114.112 115.700 0.004 0.000 2.537 333 S HA -0.163 4.308 4.470 0.002 0.000 0.240 333 S C 1.042 175.634 174.600 -0.013 0.000 0.981 333 S CA 0.725 58.927 58.200 0.003 0.000 0.948 333 S CB -0.611 62.593 63.200 0.007 0.000 0.759 333 S HN 0.579 nan 8.310 nan 0.000 0.531 334 E N 0.441 120.620 120.200 -0.035 0.000 2.290 334 E HA 0.308 4.659 4.350 0.002 0.000 0.197 334 E C 1.227 177.771 176.600 -0.094 0.000 0.948 334 E CA 0.316 56.685 56.400 -0.053 0.000 0.895 334 E CB 0.229 29.896 29.700 -0.055 0.000 0.865 334 E HN 0.649 nan 8.360 nan 0.000 0.486 335 G N 2.180 110.891 108.800 -0.148 0.000 2.148 335 G HA2 -0.189 3.772 3.960 0.002 0.000 0.157 335 G HA3 -0.189 3.772 3.960 0.002 0.000 0.157 335 G C -0.041 174.526 174.900 -0.554 0.000 1.012 335 G CA -0.292 44.627 45.100 -0.302 0.000 0.677 335 G HN -0.013 nan 8.290 nan 0.000 0.506 336 K N 1.218 121.420 120.400 -0.331 0.000 2.316 336 K HA 0.576 4.898 4.320 0.002 0.000 0.289 336 K C -0.129 176.328 176.600 -0.237 0.000 1.070 336 K CA -0.554 55.565 56.287 -0.279 0.000 0.928 336 K CB -0.188 32.238 32.500 -0.124 0.000 1.039 336 K HN 0.283 nan 8.250 nan 0.000 0.480 337 Y N 2.350 122.651 120.300 0.001 0.000 2.316 337 Y HA 0.293 4.844 4.550 0.002 0.000 0.331 337 Y C 0.728 176.558 175.900 -0.117 0.000 1.083 337 Y CA -0.333 57.758 58.100 -0.015 0.000 1.206 337 Y CB 1.382 39.844 38.460 0.004 0.000 1.195 337 Y HN 0.688 nan 8.280 nan 0.000 0.497 338 S N 2.343 118.077 115.700 0.057 0.000 2.579 338 S HA 0.628 5.099 4.470 0.002 0.000 0.272 338 S C -1.154 173.425 174.600 -0.034 0.000 1.141 338 S CA -1.045 57.120 58.200 -0.059 0.000 0.843 338 S CB 1.230 64.424 63.200 -0.009 0.000 1.122 338 S HN 0.548 nan 8.310 nan 0.000 0.468 339 I N 2.216 122.744 120.570 -0.070 0.000 2.416 339 I HA 0.247 4.418 4.170 0.002 0.000 0.288 339 I C -0.179 176.008 176.117 0.116 0.000 1.051 339 I CA -0.143 61.200 61.300 0.072 0.000 1.375 339 I CB 0.681 38.672 38.000 -0.014 0.000 1.407 339 I HN 0.688 nan 8.210 nan 0.000 0.516 340 D N 6.457 126.986 120.400 0.215 0.000 2.317 340 D HA 0.129 4.770 4.640 0.002 0.000 0.234 340 D C 0.858 177.293 176.300 0.226 0.000 1.112 340 D CA -0.413 53.700 54.000 0.188 0.000 0.840 340 D CB 1.922 42.844 40.800 0.204 0.000 1.078 340 D HN 0.261 nan 8.370 nan 0.000 0.486 341 V N 4.355 124.371 119.914 0.170 0.000 2.332 341 V HA -0.265 3.856 4.120 0.002 0.000 0.248 341 V C 2.043 178.301 176.094 0.275 0.000 1.055 341 V CA 1.709 64.137 62.300 0.213 0.000 1.038 341 V CB -0.511 31.399 31.823 0.146 0.000 0.651 341 V HN 0.529 nan 8.190 nan 0.000 0.450 342 E N 1.101 121.424 120.200 0.206 0.000 2.007 342 E HA -0.223 4.128 4.350 0.002 0.000 0.203 342 E C 2.510 179.244 176.600 0.224 0.000 1.020 342 E CA 2.012 58.526 56.400 0.190 0.000 0.845 342 E CB -0.833 28.952 29.700 0.142 0.000 0.779 342 E HN 0.691 nan 8.360 nan 0.000 0.466 343 S N 0.268 116.100 115.700 0.220 0.000 2.389 343 S HA -0.302 4.169 4.470 0.002 0.000 0.231 343 S C 2.076 176.835 174.600 0.264 0.000 1.052 343 S CA 1.576 59.910 58.200 0.223 0.000 1.053 343 S CB -0.814 62.522 63.200 0.227 0.000 0.886 343 S HN 0.356 nan 8.310 nan 0.000 0.456 344 F N 2.660 122.729 119.950 0.199 0.000 2.102 344 F HA -0.024 4.504 4.527 0.002 0.000 0.298 344 F C 1.931 177.839 175.800 0.181 0.000 1.105 344 F CA 1.922 60.043 58.000 0.203 0.000 1.239 344 F CB -0.882 38.218 39.000 0.167 0.000 0.991 344 F HN 0.171 nan 8.300 nan 0.000 0.474 345 D N 0.309 120.856 120.400 0.244 0.000 2.106 345 D HA -0.255 4.386 4.640 0.002 0.000 0.191 345 D C 2.248 178.629 176.300 0.134 0.000 0.997 345 D CA 1.970 56.093 54.000 0.206 0.000 0.834 345 D CB -0.265 40.718 40.800 0.304 0.000 0.956 345 D HN 0.281 nan 8.370 nan 0.000 0.448 346 K N -0.190 120.304 120.400 0.156 0.000 2.103 346 K HA -0.168 4.153 4.320 0.002 0.000 0.207 346 K C 2.056 178.679 176.600 0.039 0.000 1.048 346 K CA 0.817 57.213 56.287 0.181 0.000 0.930 346 K CB -0.202 32.410 32.500 0.186 0.000 0.716 346 K HN 0.105 nan 8.250 nan 0.000 0.444 347 L N 0.394 121.597 121.223 -0.033 0.000 2.056 347 L HA -0.148 4.193 4.340 0.002 0.000 0.207 347 L C 2.146 178.861 176.870 -0.259 0.000 1.078 347 L CA 1.606 56.373 54.840 -0.122 0.000 0.749 347 L CB -0.742 41.292 42.059 -0.042 0.000 0.901 347 L HN 0.257 nan 8.230 nan 0.000 0.433 348 Y N 0.612 120.620 120.300 -0.487 0.000 2.097 348 Y HA -0.279 4.271 4.550 0.001 0.000 0.282 348 Y C 2.409 178.042 175.900 -0.445 0.000 1.152 348 Y CA 2.235 60.007 58.100 -0.547 0.000 1.136 348 Y CB -0.171 37.871 38.460 -0.697 0.000 0.975 348 Y HN 0.170 nan 8.280 nan 0.000 0.498 349 K N -0.420 119.869 120.400 -0.185 0.000 2.097 349 K HA -0.145 4.177 4.320 0.002 0.000 0.206 349 K C 2.295 178.418 176.600 -0.795 0.000 1.049 349 K CA 1.437 57.594 56.287 -0.217 0.000 0.933 349 K CB -0.287 32.399 32.500 0.310 0.000 0.717 349 K HN 0.215 nan 8.250 nan 0.000 0.442 350 S N 1.676 116.805 115.700 -0.951 0.000 2.351 350 S HA -0.119 4.352 4.470 0.002 0.000 0.220 350 S C 1.968 176.190 174.600 -0.630 0.000 1.035 350 S CA 1.274 58.813 58.200 -1.102 0.000 1.031 350 S CB -0.310 62.539 63.200 -0.585 0.000 0.928 350 S HN 0.204 nan 8.310 nan 0.000 0.433 351 L N 0.407 121.353 121.223 -0.461 0.000 2.141 351 L HA -0.043 4.298 4.340 0.002 0.000 0.209 351 L C 2.310 178.999 176.870 -0.302 0.000 1.094 351 L CA 0.842 55.518 54.840 -0.273 0.000 0.763 351 L CB -0.447 41.417 42.059 -0.326 0.000 0.908 351 L HN 0.335 nan 8.230 nan 0.000 0.437 352 M N -1.860 117.250 119.600 -0.816 0.000 2.534 352 M HA 0.102 4.583 4.480 0.002 0.000 0.263 352 M C 1.418 177.110 176.300 -1.013 0.000 1.152 352 M CA 1.263 55.910 55.300 -1.090 0.000 1.145 352 M CB -0.079 31.351 32.600 -1.950 0.000 1.333 352 M HN 0.173 nan 8.290 nan 0.000 0.477 353 F N -1.743 117.989 119.950 -0.363 0.000 2.831 353 F HA 0.351 4.879 4.527 0.002 0.000 0.334 353 F C 2.055 177.734 175.800 -0.201 0.000 1.071 353 F CA -0.146 57.711 58.000 -0.238 0.000 1.172 353 F CB -0.157 38.741 39.000 -0.170 0.000 1.054 353 F HN 0.095 nan 8.300 nan 0.000 0.572 354 G N 0.491 109.096 108.800 -0.325 0.000 2.524 354 G HA2 0.013 3.974 3.960 0.002 0.000 0.210 354 G HA3 0.013 3.974 3.960 0.002 0.000 0.210 354 G C 0.178 174.856 174.900 -0.369 0.000 1.187 354 G CA 0.008 44.877 45.100 -0.386 0.000 0.825 354 G HN 0.132 nan 8.290 nan 0.000 0.558 355 F N 2.809 122.653 119.950 -0.178 0.000 2.509 355 F HA 0.414 4.941 4.527 0.002 0.000 0.350 355 F C 0.805 176.522 175.800 -0.137 0.000 1.220 355 F CA -0.286 57.621 58.000 -0.156 0.000 1.151 355 F CB 0.600 39.471 39.000 -0.215 0.000 1.379 355 F HN 0.035 nan 8.300 nan 0.000 0.610 356 T N -1.923 112.649 114.554 0.030 0.000 2.901 356 T HA 0.274 4.625 4.350 0.002 0.000 0.293 356 T C 0.769 175.430 174.700 -0.065 0.000 1.084 356 T CA -0.847 61.249 62.100 -0.007 0.000 1.008 356 T CB 1.967 70.844 68.868 0.016 0.000 1.170 356 T HN 0.482 nan 8.240 nan 0.000 0.509 357 E N 0.564 120.689 120.200 -0.125 0.000 2.058 357 E HA -0.158 4.193 4.350 0.002 0.000 0.194 357 E C 1.763 178.189 176.600 -0.290 0.000 0.997 357 E CA 1.955 58.225 56.400 -0.217 0.000 0.801 357 E CB -0.351 29.138 29.700 -0.351 0.000 0.746 357 E HN 0.802 nan 8.360 nan 0.000 0.450 358 T N 1.342 115.680 114.554 -0.360 0.000 2.684 358 T HA -0.141 4.210 4.350 0.002 0.000 0.267 358 T C 1.589 176.217 174.700 -0.120 0.000 1.036 358 T CA 1.367 63.308 62.100 -0.266 0.000 1.148 358 T CB -0.302 68.447 68.868 -0.199 0.000 0.863 358 T HN 0.135 nan 8.240 nan 0.000 0.436 359 N N 1.067 119.725 118.700 -0.070 0.000 2.120 359 N HA 0.048 4.789 4.740 0.002 0.000 0.188 359 N C 1.881 177.396 175.510 0.007 0.000 1.024 359 N CA 0.853 53.892 53.050 -0.020 0.000 0.852 359 N CB -0.408 38.072 38.487 -0.012 0.000 1.003 359 N HN 0.391 nan 8.380 nan 0.000 0.424 360 I N 0.769 121.335 120.570 -0.007 0.000 2.315 360 I HA -0.192 3.979 4.170 0.002 0.000 0.248 360 I C 2.234 178.376 176.117 0.043 0.000 1.117 360 I CA 0.722 62.044 61.300 0.036 0.000 1.404 360 I CB -0.319 37.647 38.000 -0.057 0.000 1.071 360 I HN 0.056 nan 8.210 nan 0.000 0.419 361 A N 0.429 123.219 122.820 -0.051 0.000 1.858 361 A HA -0.236 4.085 4.320 0.002 0.000 0.216 361 A C 2.311 179.903 177.584 0.014 0.000 1.190 361 A CA 1.558 53.559 52.037 -0.061 0.000 0.617 361 A CB -0.612 18.289 19.000 -0.166 0.000 0.827 361 A HN 0.316 nan 8.150 nan 0.000 0.443 362 E N 0.025 120.229 120.200 0.008 0.000 2.097 362 E HA -0.247 4.104 4.350 0.002 0.000 0.196 362 E C 1.867 178.514 176.600 0.078 0.000 1.000 362 E CA 1.715 58.143 56.400 0.047 0.000 0.804 362 E CB -0.357 29.360 29.700 0.028 0.000 0.740 362 E HN 0.652 nan 8.360 nan 0.000 0.454 363 N N -0.892 117.868 118.700 0.100 0.000 2.188 363 N HA -0.148 4.593 4.740 0.002 0.000 0.184 363 N C 0.977 176.529 175.510 0.069 0.000 1.018 363 N CA 0.920 54.023 53.050 0.088 0.000 0.858 363 N CB -0.107 38.458 38.487 0.130 0.000 0.989 363 N HN 0.094 nan 8.380 nan 0.000 0.426 364 Y N 0.908 121.207 120.300 -0.001 0.000 2.495 364 Y HA 0.294 4.845 4.550 0.002 0.000 0.293 364 Y C 0.103 176.022 175.900 0.030 0.000 1.186 364 Y CA -0.115 57.987 58.100 0.004 0.000 1.266 364 Y CB -0.087 38.367 38.460 -0.009 0.000 1.101 364 Y HN -0.066 nan 8.280 nan 0.000 0.517 365 K N 0.031 120.535 120.400 0.174 0.000 3.016 365 K HA -0.236 4.085 4.320 0.002 0.000 0.262 365 K C -0.395 176.332 176.600 0.212 0.000 1.043 365 K CA 0.617 57.043 56.287 0.231 0.000 0.761 365 K CB -2.129 30.495 32.500 0.206 0.000 1.230 365 K HN 0.376 nan 8.250 nan 0.000 0.485 366 I N 0.868 121.463 120.570 0.041 0.000 2.428 366 I HA 0.173 4.344 4.170 0.002 0.000 0.296 366 I C 0.575 176.423 176.117 -0.449 0.000 0.985 366 I CA -0.732 60.504 61.300 -0.105 0.000 1.260 366 I CB 1.438 39.434 38.000 -0.007 0.000 1.389 366 I HN 0.049 nan 8.210 nan 0.000 0.484 367 K N 3.592 123.591 120.400 -0.669 0.000 2.118 367 K HA 0.546 4.867 4.320 0.002 0.000 0.267 367 K C -0.607 175.836 176.600 -0.261 0.000 0.991 367 K CA -0.174 55.658 56.287 -0.757 0.000 0.916 367 K CB 1.604 33.562 32.500 -0.903 0.000 1.041 367 K HN 0.697 nan 8.250 nan 0.000 0.455 368 T N 0.828 115.134 114.554 -0.412 0.000 2.754 368 T HA 0.336 4.687 4.350 0.002 0.000 0.296 368 T C -1.300 172.630 174.700 -1.284 0.000 1.205 368 T CA -0.957 60.652 62.100 -0.819 0.000 1.009 368 T CB 0.772 69.348 68.868 -0.487 0.000 1.368 368 T HN 0.769 nan 8.240 nan 0.000 0.509 369 R N 1.135 120.828 120.500 -1.345 0.000 2.694 369 R HA 0.550 4.891 4.340 0.002 0.000 0.268 369 R C 0.757 176.947 176.300 -0.184 0.000 1.061 369 R CA 0.199 55.846 56.100 -0.754 0.000 1.133 369 R CB 0.098 30.146 30.300 -0.420 0.000 1.020 369 R HN 0.570 nan 8.270 nan 0.000 0.475 370 A N 0.959 123.727 122.820 -0.087 0.000 2.251 370 A HA 0.091 4.412 4.320 0.002 0.000 0.209 370 A C 0.430 178.026 177.584 0.020 0.000 1.187 370 A CA 0.495 52.539 52.037 0.013 0.000 0.823 370 A CB 0.012 19.027 19.000 0.025 0.000 0.846 370 A HN 0.781 nan 8.150 nan 0.000 0.486 371 S N -3.665 111.957 115.700 -0.131 0.000 2.614 371 S HA 0.269 4.740 4.470 0.002 0.000 0.280 371 S C 0.018 174.143 174.600 -0.793 0.000 1.111 371 S CA -0.392 57.600 58.200 -0.346 0.000 0.847 371 S CB -0.109 62.972 63.200 -0.197 0.000 1.079 371 S HN 0.423 nan 8.310 nan 0.000 0.452 372 Y N 3.283 122.900 120.300 -1.138 0.000 2.165 372 Y HA 0.161 4.712 4.550 0.001 0.000 0.286 372 Y C 0.233 175.549 175.900 -0.973 0.000 1.155 372 Y CA 1.769 59.135 58.100 -1.224 0.000 1.164 372 Y CB 0.025 37.801 38.460 -1.140 0.000 0.978 372 Y HN 0.572 nan 8.280 nan 0.000 0.513 373 F N 1.654 121.327 119.950 -0.462 0.000 2.451 373 F HA 0.342 4.871 4.527 0.004 0.000 0.356 373 F C -0.140 175.326 175.800 -0.557 0.000 1.178 373 F CA -0.336 57.359 58.000 -0.508 0.000 1.210 373 F CB 0.211 38.916 39.000 -0.491 0.000 1.504 373 F HN -0.102 nan 8.300 nan 0.000 0.598 374 S N 0.834 116.314 115.700 -0.367 0.000 2.649 374 S HA 0.278 4.749 4.470 0.002 0.000 0.274 374 S C -1.197 173.353 174.600 -0.083 0.000 1.176 374 S CA -1.278 56.744 58.200 -0.298 0.000 0.988 374 S CB 1.115 64.160 63.200 -0.258 0.000 1.071 374 S HN 0.323 nan 8.310 nan 0.000 0.478 375 D N 3.311 123.776 120.400 0.108 0.000 2.877 375 D HA 0.015 4.656 4.640 0.002 0.000 0.220 375 D C 0.599 176.933 176.300 0.057 0.000 1.089 375 D CA 1.118 55.185 54.000 0.112 0.000 0.811 375 D CB 0.383 41.286 40.800 0.173 0.000 1.162 375 D HN 0.767 nan 8.370 nan 0.000 0.513 376 S N 2.056 117.771 115.700 0.026 0.000 2.562 376 S HA 0.617 5.088 4.470 0.002 0.000 0.275 376 S C 0.250 174.879 174.600 0.048 0.000 1.281 376 S CA -0.926 57.286 58.200 0.020 0.000 1.045 376 S CB 1.496 64.689 63.200 -0.013 0.000 0.962 376 S HN 0.361 nan 8.310 nan 0.000 0.503 377 L N 0.912 122.166 121.223 0.052 0.000 2.271 377 L HA 0.607 4.948 4.340 0.002 0.000 0.265 377 L C -2.548 174.346 176.870 0.040 0.000 1.013 377 L CA -3.067 51.802 54.840 0.048 0.000 0.820 377 L CB 1.120 43.204 42.059 0.042 0.000 1.352 377 L HN 0.392 nan 8.230 nan 0.000 0.443 378 P HA 0.133 nan 4.420 nan 0.000 0.271 378 P C -2.457 174.845 177.300 0.004 0.000 1.220 378 P CA -0.794 62.324 63.100 0.030 0.000 0.768 378 P CB -0.019 31.699 31.700 0.030 0.000 0.848 379 P HA 0.069 nan 4.420 nan 0.000 0.274 379 P C -0.745 176.513 177.300 -0.069 0.000 1.256 379 P CA -0.050 63.037 63.100 -0.022 0.000 0.795 379 P CB 0.672 32.375 31.700 0.005 0.000 1.038 380 V N -2.646 117.204 119.914 -0.107 0.000 2.960 380 V HA 0.588 4.709 4.120 0.002 0.000 0.315 380 V C -0.258 175.702 176.094 -0.223 0.000 1.087 380 V CA -1.165 61.048 62.300 -0.144 0.000 0.982 380 V CB 1.953 33.647 31.823 -0.215 0.000 1.039 380 V HN 0.470 nan 8.190 nan 0.000 0.437 381 K N 2.456 122.696 120.400 -0.266 0.000 2.183 381 K HA 0.496 4.817 4.320 0.002 0.000 0.274 381 K C -1.025 175.357 176.600 -0.364 0.000 1.009 381 K CA -0.797 55.188 56.287 -0.503 0.000 0.888 381 K CB 1.255 33.425 32.500 -0.549 0.000 1.078 381 K HN 0.692 nan 8.250 nan 0.000 0.459 382 I N 5.545 125.890 120.570 -0.375 0.000 2.337 382 I HA 0.041 4.212 4.170 0.002 0.000 0.291 382 I C 1.335 177.353 176.117 -0.166 0.000 1.046 382 I CA 0.067 61.225 61.300 -0.236 0.000 1.324 382 I CB 1.022 38.946 38.000 -0.127 0.000 1.409 382 I HN 0.737 nan 8.210 nan 0.000 0.494 383 K N 4.256 124.587 120.400 -0.115 0.000 1.988 383 K HA -0.209 4.112 4.320 0.002 0.000 0.221 383 K C 0.583 177.168 176.600 -0.026 0.000 1.053 383 K CA 1.781 58.026 56.287 -0.070 0.000 0.959 383 K CB -0.045 32.423 32.500 -0.054 0.000 0.728 383 K HN 0.501 nan 8.250 nan 0.000 0.447 384 N N -0.526 118.185 118.700 0.018 0.000 2.664 384 N HA 0.131 4.872 4.740 0.002 0.000 0.268 384 N C -0.229 175.313 175.510 0.053 0.000 1.222 384 N CA -0.074 52.994 53.050 0.030 0.000 0.805 384 N CB 0.806 39.315 38.487 0.037 0.000 1.399 384 N HN -0.028 nan 8.380 nan 0.000 0.547 385 L N 2.186 123.409 121.223 -0.000 0.000 2.362 385 L HA 0.056 4.397 4.340 0.002 0.000 0.219 385 L C 1.420 178.327 176.870 0.063 0.000 1.134 385 L CA 0.813 55.622 54.840 -0.053 0.000 0.807 385 L CB -0.070 41.843 42.059 -0.243 0.000 0.927 385 L HN 0.581 nan 8.230 nan 0.000 0.447 386 L N -0.755 120.499 121.223 0.052 0.000 2.554 386 L HA 0.013 4.354 4.340 0.002 0.000 0.226 386 L C 0.369 177.279 176.870 0.067 0.000 1.137 386 L CA 0.032 54.908 54.840 0.060 0.000 0.863 386 L CB -0.310 41.774 42.059 0.041 0.000 0.985 386 L HN 0.156 nan 8.230 nan 0.000 0.451 387 D N 0.027 120.474 120.400 0.079 0.000 2.396 387 D HA 0.034 4.675 4.640 0.002 0.000 0.225 387 D C 0.915 177.268 176.300 0.088 0.000 1.121 387 D CA -0.225 53.819 54.000 0.074 0.000 0.853 387 D CB 0.517 41.361 40.800 0.072 0.000 1.043 387 D HN -0.106 nan 8.370 nan 0.000 0.500 388 N N 2.868 121.606 118.700 0.064 0.000 2.651 388 N HA -0.176 4.565 4.740 0.002 0.000 0.193 388 N C 0.907 176.451 175.510 0.056 0.000 1.149 388 N CA 0.423 53.503 53.050 0.050 0.000 0.933 388 N CB 0.270 38.773 38.487 0.027 0.000 0.974 388 N HN 0.579 nan 8.380 nan 0.000 0.448 389 E N 0.163 120.408 120.200 0.075 0.000 2.400 389 E HA 0.088 4.439 4.350 0.002 0.000 0.195 389 E C 1.362 178.037 176.600 0.125 0.000 1.012 389 E CA 0.411 56.859 56.400 0.081 0.000 0.875 389 E CB 0.228 29.969 29.700 0.069 0.000 0.859 389 E HN 0.126 nan 8.360 nan 0.000 0.498 390 I N -0.707 119.963 120.570 0.166 0.000 4.124 390 I HA 0.171 4.342 4.170 0.002 0.000 0.311 390 I C -0.419 175.908 176.117 0.351 0.000 1.259 390 I CA 0.264 61.731 61.300 0.279 0.000 1.315 390 I CB 0.179 38.352 38.000 0.289 0.000 1.223 390 I HN -0.019 nan 8.210 nan 0.000 0.441 391 Y N 1.785 122.093 120.300 0.013 0.000 2.362 391 Y HA 0.421 4.972 4.550 0.002 0.000 0.326 391 Y C -0.045 175.791 175.900 -0.106 0.000 1.083 391 Y CA -1.073 56.910 58.100 -0.195 0.000 1.073 391 Y CB 1.342 39.581 38.460 -0.369 0.000 1.211 391 Y HN 0.020 nan 8.280 nan 0.000 0.433 392 T N 2.617 116.904 114.554 -0.445 0.000 2.932 392 T HA 0.445 4.796 4.350 0.002 0.000 0.289 392 T C 1.012 175.473 174.700 -0.399 0.000 1.039 392 T CA -0.733 61.198 62.100 -0.282 0.000 1.024 392 T CB 1.368 70.146 68.868 -0.149 0.000 1.090 392 T HN 0.656 nan 8.240 nan 0.000 0.496 393 I N 0.599 121.054 120.570 -0.191 0.000 2.361 393 I HA -0.121 4.050 4.170 0.002 0.000 0.251 393 I C 2.177 178.228 176.117 -0.109 0.000 1.133 393 I CA 1.313 62.538 61.300 -0.125 0.000 1.413 393 I CB -0.174 37.802 38.000 -0.040 0.000 1.073 393 I HN 0.701 nan 8.210 nan 0.000 0.424 394 E N 0.581 120.717 120.200 -0.106 0.000 2.122 394 E HA -0.111 4.241 4.350 0.002 0.000 0.190 394 E C 1.445 177.998 176.600 -0.078 0.000 0.977 394 E CA 0.927 57.282 56.400 -0.074 0.000 0.820 394 E CB 0.065 29.730 29.700 -0.058 0.000 0.770 394 E HN 0.486 nan 8.360 nan 0.000 0.462 395 E N -1.112 119.014 120.200 -0.124 0.000 2.606 395 E HA 0.297 4.648 4.350 0.002 0.000 0.224 395 E C 0.820 177.326 176.600 -0.157 0.000 0.930 395 E CA 0.134 56.482 56.400 -0.086 0.000 1.125 395 E CB 1.265 30.942 29.700 -0.038 0.000 1.123 395 E HN 0.187 nan 8.360 nan 0.000 0.522 396 G N 1.698 110.229 108.800 -0.448 0.000 2.531 396 G HA2 -0.381 3.580 3.960 0.002 0.000 0.274 396 G HA3 -0.381 3.580 3.960 0.002 0.000 0.274 396 G C 0.478 175.074 174.900 -0.507 0.000 1.159 396 G CA 0.377 44.958 45.100 -0.867 0.000 0.969 396 G HN 0.215 nan 8.290 nan 0.000 0.554 397 F N 1.803 121.830 119.950 0.129 0.000 2.416 397 F HA 0.187 4.715 4.527 0.002 0.000 0.296 397 F C 1.838 177.725 175.800 0.145 0.000 1.099 397 F CA 0.703 58.849 58.000 0.244 0.000 1.427 397 F CB 0.053 39.273 39.000 0.367 0.000 1.079 397 F HN 0.141 nan 8.300 nan 0.000 0.536 398 N N 2.270 121.134 118.700 0.273 0.000 3.193 398 N HA 0.121 4.862 4.740 0.002 0.000 0.312 398 N C -0.420 175.158 175.510 0.114 0.000 1.261 398 N CA 0.317 53.485 53.050 0.197 0.000 1.208 398 N CB -0.398 38.218 38.487 0.216 0.000 1.471 398 N HN 0.244 nan 8.380 nan 0.000 0.548 399 I N 0.908 121.542 120.570 0.107 0.000 2.379 399 I HA -0.049 4.122 4.170 0.002 0.000 0.290 399 I C 1.705 177.857 176.117 0.059 0.000 1.063 399 I CA -0.259 61.078 61.300 0.061 0.000 1.351 399 I CB 0.655 38.693 38.000 0.063 0.000 1.410 399 I HN 0.219 nan 8.210 nan 0.000 0.505 400 S N 3.035 118.758 115.700 0.039 0.000 2.400 400 S HA -0.188 4.283 4.470 0.002 0.000 0.232 400 S C 1.089 175.707 174.600 0.030 0.000 1.025 400 S CA 0.937 59.156 58.200 0.032 0.000 0.993 400 S CB -0.220 62.991 63.200 0.019 0.000 0.808 400 S HN 0.641 nan 8.310 nan 0.000 0.478 401 D N 1.761 122.178 120.400 0.028 0.000 2.348 401 D HA 0.091 4.732 4.640 0.002 0.000 0.248 401 D C 0.586 176.907 176.300 0.036 0.000 1.142 401 D CA 0.563 54.579 54.000 0.027 0.000 0.904 401 D CB 0.067 40.880 40.800 0.022 0.000 0.901 401 D HN 0.620 nan 8.370 nan 0.000 0.523 402 K N 0.044 120.471 120.400 0.045 0.000 2.625 402 K HA 0.011 4.332 4.320 0.002 0.000 0.190 402 K C -0.382 176.250 176.600 0.053 0.000 1.174 402 K CA -0.287 56.031 56.287 0.053 0.000 1.103 402 K CB 1.213 33.756 32.500 0.072 0.000 0.900 402 K HN -0.199 nan 8.250 nan 0.000 0.540 403 D N 1.370 121.796 120.400 0.044 0.000 2.689 403 D HA -0.185 4.456 4.640 0.002 0.000 0.237 403 D C 0.244 176.576 176.300 0.053 0.000 1.148 403 D CA 0.882 54.906 54.000 0.039 0.000 0.656 403 D CB -0.294 40.526 40.800 0.032 0.000 1.050 403 D HN 0.241 nan 8.370 nan 0.000 0.426 404 M N -0.674 118.966 119.600 0.068 0.000 2.414 404 M HA 0.092 4.574 4.480 0.002 0.000 0.357 404 M C 1.518 177.879 176.300 0.102 0.000 1.059 404 M CA -0.258 55.099 55.300 0.095 0.000 0.959 404 M CB 0.786 33.463 32.600 0.128 0.000 1.522 404 M HN 0.128 nan 8.290 nan 0.000 0.551 405 E N 2.022 122.263 120.200 0.069 0.000 2.057 405 E HA 0.056 4.407 4.350 0.002 0.000 0.190 405 E C 0.196 176.809 176.600 0.021 0.000 0.969 405 E CA 0.717 57.154 56.400 0.063 0.000 0.812 405 E CB 0.456 30.178 29.700 0.038 0.000 0.777 405 E HN 0.360 nan 8.360 nan 0.000 0.455 406 K N 1.290 121.684 120.400 -0.009 0.000 2.448 406 K HA -0.017 4.304 4.320 0.002 0.000 0.278 406 K C 0.011 176.555 176.600 -0.094 0.000 1.009 406 K CA 0.434 56.681 56.287 -0.066 0.000 0.995 406 K CB 0.367 32.844 32.500 -0.039 0.000 0.917 406 K HN 0.108 nan 8.250 nan 0.000 0.481 407 E N 1.371 121.426 120.200 -0.243 0.000 3.170 407 E HA -0.293 4.058 4.350 0.002 0.000 0.284 407 E C -0.982 175.547 176.600 -0.119 0.000 0.967 407 E CA 0.836 57.081 56.400 -0.259 0.000 0.919 407 E CB -1.773 27.898 29.700 -0.048 0.000 1.469 407 E HN 0.777 nan 8.360 nan 0.000 0.444 408 Y N -2.618 117.739 120.300 0.095 0.000 3.929 408 Y HA -0.348 4.203 4.550 0.001 0.000 0.225 408 Y C 1.692 177.695 175.900 0.171 0.000 1.200 408 Y CA 0.647 58.819 58.100 0.120 0.000 1.791 408 Y CB -1.816 36.683 38.460 0.064 0.000 1.561 408 Y HN 0.200 nan 8.280 nan 0.000 0.657 409 R N 0.312 120.936 120.500 0.206 0.000 2.117 409 R HA -0.175 4.166 4.340 0.002 0.000 0.243 409 R C 2.458 178.813 176.300 0.091 0.000 1.143 409 R CA 1.463 57.638 56.100 0.125 0.000 0.968 409 R CB -0.543 29.807 30.300 0.084 0.000 0.863 409 R HN 0.603 nan 8.270 nan 0.000 0.444 410 G N 0.351 109.239 108.800 0.147 0.000 2.479 410 G HA2 -0.266 3.695 3.960 0.002 0.000 0.220 410 G HA3 -0.266 3.695 3.960 0.002 0.000 0.220 410 G C 1.133 176.012 174.900 -0.035 0.000 1.115 410 G CA 0.469 45.675 45.100 0.177 0.000 0.757 410 G HN 0.389 nan 8.290 nan 0.000 0.560 411 Q N -0.472 119.192 119.800 -0.226 0.000 2.282 411 Q HA 0.102 4.443 4.340 0.002 0.000 0.206 411 Q C 0.459 175.866 176.000 -0.987 0.000 0.878 411 Q CA -0.508 54.697 55.803 -0.996 0.000 0.944 411 Q CB 0.365 28.841 28.738 -0.437 0.000 1.100 411 Q HN 0.295 nan 8.270 nan 0.000 0.509 412 N N 1.805 120.204 118.700 -0.502 0.000 2.452 412 N HA -0.019 4.722 4.740 0.002 0.000 0.266 412 N C 0.424 175.691 175.510 -0.406 0.000 1.175 412 N CA 0.390 52.992 53.050 -0.747 0.000 0.945 412 N CB 0.834 39.014 38.487 -0.511 0.000 1.063 412 N HN 0.101 nan 8.380 nan 0.000 0.472 413 K N 2.816 122.973 120.400 -0.405 0.000 2.057 413 K HA -0.105 4.216 4.320 0.002 0.000 0.207 413 K C 1.506 178.172 176.600 0.110 0.000 1.049 413 K CA 1.519 57.759 56.287 -0.077 0.000 0.931 413 K CB -0.053 32.324 32.500 -0.206 0.000 0.714 413 K HN 0.619 nan 8.250 nan 0.000 0.440 414 A N 0.707 123.502 122.820 -0.042 0.000 2.216 414 A HA -0.030 4.291 4.320 0.002 0.000 0.214 414 A C 1.773 179.370 177.584 0.023 0.000 1.160 414 A CA 0.989 53.032 52.037 0.010 0.000 0.725 414 A CB -0.386 18.597 19.000 -0.028 0.000 0.784 414 A HN 0.194 nan 8.150 nan 0.000 0.472 415 I N -2.169 118.412 120.570 0.018 0.000 3.366 415 I HA 0.078 4.249 4.170 0.002 0.000 0.267 415 I C 0.563 176.735 176.117 0.092 0.000 1.149 415 I CA 0.036 61.358 61.300 0.036 0.000 1.436 415 I CB 0.053 38.055 38.000 0.003 0.000 1.379 415 I HN 0.085 nan 8.210 nan 0.000 0.460 416 N N 2.238 121.031 118.700 0.156 0.000 3.331 416 N HA 0.094 4.835 4.740 0.002 0.000 0.303 416 N C 0.754 176.437 175.510 0.287 0.000 1.326 416 N CA 0.201 53.386 53.050 0.225 0.000 1.207 416 N CB 0.188 38.844 38.487 0.282 0.000 1.477 416 N HN 0.180 nan 8.380 nan 0.000 0.541 417 K N -0.196 120.270 120.400 0.110 0.000 2.217 417 K HA -0.092 4.229 4.320 0.002 0.000 0.202 417 K C 1.514 177.941 176.600 -0.288 0.000 1.051 417 K CA 0.759 56.939 56.287 -0.179 0.000 0.952 417 K CB 0.217 32.624 32.500 -0.155 0.000 0.736 417 K HN 0.443 nan 8.250 nan 0.000 0.453 418 Q N 0.263 120.005 119.800 -0.097 0.000 2.515 418 Q HA 0.022 4.363 4.340 0.002 0.000 0.212 418 Q C 1.155 177.123 176.000 -0.052 0.000 0.970 418 Q CA 0.967 56.722 55.803 -0.080 0.000 0.941 418 Q CB 0.170 28.902 28.738 -0.011 0.000 0.998 418 Q HN 0.207 nan 8.270 nan 0.000 0.518 419 A N -0.124 122.673 122.820 -0.037 0.000 2.303 419 A HA 0.334 4.656 4.320 0.002 0.000 0.217 419 A C 0.238 177.737 177.584 -0.141 0.000 1.205 419 A CA 0.091 52.132 52.037 0.006 0.000 0.875 419 A CB 0.108 19.179 19.000 0.119 0.000 0.910 419 A HN 0.528 nan 8.150 nan 0.000 0.501 420 Y N -2.989 117.116 120.300 -0.325 0.000 2.705 420 Y HA 0.774 5.325 4.550 0.002 0.000 0.332 420 Y C -1.202 174.547 175.900 -0.251 0.000 1.221 420 Y CA -1.506 56.350 58.100 -0.407 0.000 1.059 420 Y CB 0.647 38.672 38.460 -0.725 0.000 1.298 420 Y HN 0.026 nan 8.280 nan 0.000 0.459 421 E N 0.861 120.973 120.200 -0.147 0.000 2.340 421 E HA 0.276 4.627 4.350 0.002 0.000 0.273 421 E C -1.213 175.402 176.600 0.025 0.000 0.891 421 E CA -1.214 55.097 56.400 -0.147 0.000 0.757 421 E CB 2.462 32.087 29.700 -0.126 0.000 1.231 421 E HN 0.523 nan 8.360 nan 0.000 0.439 422 E N 1.213 121.429 120.200 0.026 0.000 2.376 422 E HA 0.340 4.691 4.350 0.002 0.000 0.254 422 E C -0.068 176.529 176.600 -0.005 0.000 1.213 422 E CA -0.070 56.357 56.400 0.045 0.000 0.945 422 E CB 0.938 30.668 29.700 0.050 0.000 1.057 422 E HN 0.374 nan 8.360 nan 0.000 0.479 423 I N 0.255 120.814 120.570 -0.019 0.000 2.603 423 I HA 0.069 4.240 4.170 0.002 0.000 0.300 423 I C 0.459 176.610 176.117 0.056 0.000 1.017 423 I CA -0.786 60.493 61.300 -0.034 0.000 1.098 423 I CB 1.947 39.812 38.000 -0.226 0.000 1.279 423 I HN 0.236 nan 8.210 nan 0.000 0.437 424 S N 4.164 119.956 115.700 0.154 0.000 2.506 424 S HA 0.017 4.488 4.470 0.002 0.000 0.291 424 S C 1.169 175.841 174.600 0.120 0.000 1.230 424 S CA -0.325 57.960 58.200 0.141 0.000 1.107 424 S CB 0.154 63.476 63.200 0.203 0.000 0.942 424 S HN 0.424 nan 8.310 nan 0.000 0.502 425 K N 4.186 124.621 120.400 0.058 0.000 2.442 425 K HA -0.078 4.243 4.320 0.002 0.000 0.198 425 K C 1.329 177.947 176.600 0.030 0.000 1.044 425 K CA 1.005 57.329 56.287 0.062 0.000 0.948 425 K CB -0.116 32.406 32.500 0.038 0.000 0.762 425 K HN 0.742 nan 8.250 nan 0.000 0.472 426 E N -0.436 119.722 120.200 -0.070 0.000 2.418 426 E HA -0.101 4.250 4.350 0.002 0.000 0.197 426 E C 0.786 177.263 176.600 -0.205 0.000 1.026 426 E CA 0.634 56.924 56.400 -0.183 0.000 0.862 426 E CB -0.054 29.461 29.700 -0.309 0.000 0.799 426 E HN 0.570 nan 8.360 nan 0.000 0.518 427 H N -0.910 118.261 119.070 0.168 0.000 2.652 427 H HA 0.231 4.788 4.556 0.002 0.000 0.274 427 H C 0.054 175.547 175.328 0.274 0.000 1.021 427 H CA -0.383 55.780 56.048 0.193 0.000 1.187 427 H CB 0.675 30.619 29.762 0.305 0.000 1.505 427 H HN -0.073 nan 8.280 nan 0.000 0.530 428 L N 1.090 122.511 121.223 0.330 0.000 2.343 428 L HA 0.657 4.998 4.340 0.002 0.000 0.275 428 L C -0.105 176.888 176.870 0.206 0.000 1.056 428 L CA -1.031 53.990 54.840 0.301 0.000 0.804 428 L CB 1.471 43.663 42.059 0.222 0.000 1.203 428 L HN 0.081 nan 8.230 nan 0.000 0.440 429 A N 2.902 125.862 122.820 0.233 0.000 2.359 429 A HA 0.771 5.092 4.320 0.002 0.000 0.303 429 A C -1.113 176.571 177.584 0.167 0.000 1.066 429 A CA -0.444 51.696 52.037 0.170 0.000 0.730 429 A CB 1.703 20.812 19.000 0.182 0.000 1.211 429 A HN 0.374 nan 8.150 nan 0.000 0.439 430 V N 2.566 122.557 119.914 0.128 0.000 2.577 430 V HA 0.268 4.389 4.120 0.002 0.000 0.303 430 V C -0.910 175.277 176.094 0.154 0.000 1.042 430 V CA -0.643 61.737 62.300 0.134 0.000 0.872 430 V CB 1.623 33.504 31.823 0.096 0.000 0.998 430 V HN 0.839 nan 8.190 nan 0.000 0.423 431 Y N 5.406 125.729 120.300 0.038 0.000 2.569 431 Y HA 0.365 4.916 4.550 0.002 0.000 0.332 431 Y C 0.277 176.183 175.900 0.011 0.000 1.120 431 Y CA -0.054 58.058 58.100 0.021 0.000 1.416 431 Y CB 0.233 38.709 38.460 0.027 0.000 1.210 431 Y HN 0.594 nan 8.280 nan 0.000 0.528 432 K N 6.183 126.371 120.400 -0.353 0.000 2.281 432 K HA 0.587 4.908 4.320 0.002 0.000 0.242 432 K C -1.422 174.850 176.600 -0.547 0.000 0.971 432 K CA -1.093 54.971 56.287 -0.371 0.000 0.834 432 K CB 1.865 34.262 32.500 -0.173 0.000 1.181 432 K HN 0.417 nan 8.250 nan 0.000 0.435 433 I N 2.030 122.364 120.570 -0.392 0.000 2.389 433 I HA 0.196 4.367 4.170 0.002 0.000 0.288 433 I C -0.446 175.529 176.117 -0.236 0.000 0.999 433 I CA -0.388 60.716 61.300 -0.327 0.000 1.129 433 I CB 1.478 39.305 38.000 -0.289 0.000 1.288 433 I HN 0.630 nan 8.210 nan 0.000 0.444 434 Q N 6.501 126.177 119.800 -0.207 0.000 2.390 434 Q HA 0.440 4.782 4.340 0.002 0.000 0.249 434 Q C -0.865 174.991 176.000 -0.239 0.000 0.996 434 Q CA -0.459 55.222 55.803 -0.205 0.000 0.899 434 Q CB 0.916 29.543 28.738 -0.186 0.000 1.216 434 Q HN 0.543 nan 8.270 nan 0.000 0.465 435 M N 3.521 122.983 119.600 -0.231 0.000 2.135 435 M HA 0.244 4.725 4.480 0.002 0.000 0.345 435 M C -0.987 175.136 176.300 -0.294 0.000 1.340 435 M CA -0.342 54.812 55.300 -0.244 0.000 1.162 435 M CB 0.376 32.877 32.600 -0.165 0.000 1.570 435 M HN 0.560 nan 8.290 nan 0.000 0.454 436 C N 3.177 122.224 119.300 -0.422 0.000 2.376 436 C HA 0.511 4.972 4.460 0.002 0.000 0.335 436 C C 0.341 175.135 174.990 -0.326 0.000 1.229 436 C CA -1.152 57.587 59.018 -0.466 0.000 1.867 436 C CB 1.222 28.458 27.740 -0.841 0.000 2.319 436 C HN 0.711 nan 8.230 nan 0.000 0.515 437 K N 1.231 121.531 120.400 -0.166 0.000 2.123 437 K HA 0.366 4.687 4.320 0.002 0.000 0.259 437 K C 0.157 176.799 176.600 0.069 0.000 0.960 437 K CA 0.003 56.268 56.287 -0.036 0.000 0.872 437 K CB 1.198 33.681 32.500 -0.028 0.000 1.079 437 K HN 0.801 nan 8.250 nan 0.000 0.440 438 S N 1.185 116.973 115.700 0.146 0.000 2.898 438 S HA 0.175 4.646 4.470 0.002 0.000 0.324 438 S C 0.123 174.779 174.600 0.092 0.000 1.171 438 S CA -0.562 57.742 58.200 0.173 0.000 1.288 438 S CB -0.717 62.548 63.200 0.109 0.000 1.490 438 S HN 0.315 nan 8.310 nan 0.000 0.570 444 I N 2.045 122.583 120.570 -0.055 0.000 2.496 444 I HA 0.624 4.795 4.170 0.002 0.000 0.285 444 I C 0.119 176.158 176.117 -0.130 0.000 1.080 444 I CA -0.653 60.602 61.300 -0.075 0.000 1.404 444 I CB 0.233 38.195 38.000 -0.063 0.000 1.403 444 I HN 0.505 nan 8.210 nan 0.000 0.539 445 C N 7.083 126.290 119.300 -0.154 0.000 2.634 445 C HA 0.681 5.142 4.460 0.002 0.000 0.313 445 C C -0.160 174.669 174.990 -0.269 0.000 1.198 445 C CA -1.054 57.837 59.018 -0.212 0.000 1.605 445 C CB 0.990 28.609 27.740 -0.202 0.000 2.196 445 C HN 0.642 nan 8.230 nan 0.000 0.486 446 I N 1.195 121.576 120.570 -0.315 0.000 2.689 446 I HA 0.367 4.538 4.170 0.002 0.000 0.299 446 I C -1.150 174.825 176.117 -0.236 0.000 1.059 446 I CA -0.210 60.849 61.300 -0.402 0.000 1.055 446 I CB 2.052 39.686 38.000 -0.609 0.000 1.243 446 I HN 0.550 nan 8.210 nan 0.000 0.425 447 D N 3.828 124.130 120.400 -0.162 0.000 2.193 447 D HA 0.548 5.189 4.640 0.002 0.000 0.244 447 D C -0.970 175.285 176.300 -0.075 0.000 1.064 447 D CA 0.058 53.989 54.000 -0.114 0.000 0.845 447 D CB 2.086 42.843 40.800 -0.072 0.000 1.148 447 D HN 0.022 nan 8.370 nan 0.000 0.464 448 V N 2.972 122.814 119.914 -0.119 0.000 2.577 448 V HA 0.229 4.350 4.120 0.002 0.000 0.303 448 V C -0.496 175.523 176.094 -0.125 0.000 1.042 448 V CA -1.034 61.205 62.300 -0.100 0.000 0.872 448 V CB 2.011 33.698 31.823 -0.227 0.000 0.998 448 V HN 0.445 nan 8.190 nan 0.000 0.423 449 D N 3.224 123.594 120.400 -0.050 0.000 2.383 449 D HA 0.030 4.671 4.640 0.002 0.000 0.252 449 D C 1.126 177.401 176.300 -0.042 0.000 1.166 449 D CA 0.226 54.200 54.000 -0.042 0.000 0.879 449 D CB 1.012 41.826 40.800 0.023 0.000 1.164 449 D HN 0.625 nan 8.370 nan 0.000 0.462 450 N N 2.477 121.137 118.700 -0.066 0.000 2.182 450 N HA -0.256 4.485 4.740 0.002 0.000 0.192 450 N C 1.046 176.605 175.510 0.081 0.000 1.007 450 N CA 1.557 54.612 53.050 0.009 0.000 0.873 450 N CB 0.161 38.758 38.487 0.184 0.000 0.998 450 N HN 0.429 nan 8.380 nan 0.000 0.436 451 E N -0.677 119.575 120.200 0.088 0.000 2.268 451 E HA -0.125 4.226 4.350 0.002 0.000 0.195 451 E C 0.955 177.613 176.600 0.098 0.000 0.995 451 E CA 0.990 57.450 56.400 0.100 0.000 0.836 451 E CB 0.024 29.776 29.700 0.086 0.000 0.763 451 E HN 0.503 nan 8.360 nan 0.000 0.491 452 D N 0.241 120.688 120.400 0.077 0.000 2.234 452 D HA -0.021 4.620 4.640 0.002 0.000 0.205 452 D C 0.953 177.307 176.300 0.091 0.000 0.962 452 D CA 0.392 54.445 54.000 0.089 0.000 0.855 452 D CB 0.147 41.022 40.800 0.125 0.000 0.951 452 D HN 0.149 nan 8.370 nan 0.000 0.500 453 L N 0.253 121.534 121.223 0.097 0.000 2.456 453 L HA 0.078 4.419 4.340 0.002 0.000 0.246 453 L C 0.273 177.201 176.870 0.097 0.000 1.238 453 L CA -0.222 54.719 54.840 0.168 0.000 0.826 453 L CB -0.051 42.090 42.059 0.137 0.000 1.150 453 L HN -0.186 nan 8.230 nan 0.000 0.514 454 F N 0.177 120.299 119.950 0.285 0.000 2.420 454 F HA 0.214 4.747 4.527 0.010 0.000 0.352 454 F C 0.133 176.032 175.800 0.164 0.000 1.108 454 F CA -0.252 57.883 58.000 0.224 0.000 1.162 454 F CB 0.338 39.464 39.000 0.211 0.000 1.118 454 F HN 0.097 nan 8.300 nan 0.000 0.510 455 F N 5.518 125.595 119.950 0.211 0.000 2.390 455 F HA 0.550 5.078 4.527 0.001 0.000 0.361 455 F C -0.576 175.254 175.800 0.050 0.000 1.124 455 F CA -0.641 57.424 58.000 0.109 0.000 1.149 455 F CB 0.050 39.100 39.000 0.084 0.000 1.160 455 F HN 0.260 nan 8.300 nan 0.000 0.501 456 I N 7.015 127.334 120.570 -0.418 0.000 2.420 456 I HA 0.370 4.541 4.170 0.002 0.000 0.282 456 I C 0.141 175.999 176.117 -0.432 0.000 1.019 456 I CA -0.924 60.220 61.300 -0.260 0.000 1.130 456 I CB 1.276 39.174 38.000 -0.171 0.000 1.262 456 I HN 0.714 nan 8.210 nan 0.000 0.454 457 A N 5.110 127.776 122.820 -0.258 0.000 2.531 457 A HA 0.013 4.334 4.320 0.002 0.000 0.236 457 A C 0.109 177.677 177.584 -0.026 0.000 1.062 457 A CA 0.161 52.124 52.037 -0.124 0.000 0.760 457 A CB 0.178 19.296 19.000 0.196 0.000 0.995 457 A HN 0.772 nan 8.150 nan 0.000 0.501 458 D N 1.152 121.505 120.400 -0.077 0.000 2.313 458 D HA 0.073 4.714 4.640 0.002 0.000 0.247 458 D C 1.030 177.387 176.300 0.094 0.000 1.094 458 D CA -0.292 53.697 54.000 -0.017 0.000 0.925 458 D CB 0.968 41.724 40.800 -0.073 0.000 1.188 458 D HN 0.603 nan 8.370 nan 0.000 0.430 459 K N 2.328 122.825 120.400 0.162 0.000 2.160 459 K HA -0.181 4.140 4.320 0.002 0.000 0.206 459 K C 1.391 178.101 176.600 0.183 0.000 1.047 459 K CA 1.125 57.570 56.287 0.264 0.000 0.930 459 K CB 0.095 32.697 32.500 0.169 0.000 0.720 459 K HN 0.383 nan 8.250 nan 0.000 0.450 460 N N 0.536 119.258 118.700 0.037 0.000 2.205 460 N HA -0.126 4.615 4.740 0.002 0.000 0.186 460 N C 1.554 176.981 175.510 -0.140 0.000 1.015 460 N CA 1.246 54.283 53.050 -0.023 0.000 0.862 460 N CB -0.298 38.167 38.487 -0.038 0.000 0.986 460 N HN 0.124 nan 8.380 nan 0.000 0.429 461 S N 0.248 115.744 115.700 -0.340 0.000 2.440 461 S HA -0.080 4.391 4.470 0.002 0.000 0.240 461 S C 0.351 174.440 174.600 -0.852 0.000 1.014 461 S CA 0.896 58.690 58.200 -0.676 0.000 0.980 461 S CB -0.207 62.391 63.200 -1.004 0.000 0.775 461 S HN 0.228 nan 8.310 nan 0.000 0.499 462 F N 0.730 120.694 119.950 0.024 0.000 2.450 462 F HA 0.490 5.019 4.527 0.002 0.000 0.332 462 F C 0.587 176.397 175.800 0.015 0.000 1.093 462 F CA -1.101 56.912 58.000 0.022 0.000 1.003 462 F CB 1.005 40.017 39.000 0.020 0.000 1.151 462 F HN -0.228 nan 8.300 nan 0.000 0.474 463 S N 0.524 116.322 115.700 0.163 0.000 2.576 463 S HA 0.032 4.503 4.470 0.002 0.000 0.276 463 S C 0.376 175.026 174.600 0.084 0.000 1.339 463 S CA -0.318 57.938 58.200 0.093 0.000 1.039 463 S CB 0.458 63.703 63.200 0.075 0.000 0.902 463 S HN 0.717 nan 8.310 nan 0.000 0.516 464 D N 1.418 121.850 120.400 0.053 0.000 2.402 464 D HA 0.182 4.823 4.640 0.002 0.000 0.216 464 D C 0.476 176.786 176.300 0.018 0.000 1.128 464 D CA -0.086 53.935 54.000 0.035 0.000 0.833 464 D CB 0.049 40.868 40.800 0.033 0.000 0.971 464 D HN 0.523 nan 8.370 nan 0.000 0.503 465 D N 0.123 120.535 120.400 0.019 0.000 2.354 465 D HA -0.130 4.511 4.640 0.002 0.000 0.216 465 D C 2.030 178.326 176.300 -0.007 0.000 0.970 465 D CA 0.404 54.410 54.000 0.009 0.000 0.905 465 D CB 0.247 41.054 40.800 0.012 0.000 0.903 465 D HN 0.389 nan 8.370 nan 0.000 0.508 466 L N 0.688 121.899 121.223 -0.021 0.000 2.156 466 L HA -0.104 4.238 4.340 0.002 0.000 0.208 466 L C 2.130 178.978 176.870 -0.036 0.000 1.095 466 L CA 0.958 55.766 54.840 -0.052 0.000 0.770 466 L CB -0.301 41.703 42.059 -0.093 0.000 0.914 466 L HN 0.025 nan 8.230 nan 0.000 0.439 467 S N -0.990 114.700 115.700 -0.016 0.000 2.727 467 S HA 0.016 4.487 4.470 0.002 0.000 0.226 467 S C 0.566 175.181 174.600 0.025 0.000 0.963 467 S CA 0.008 58.211 58.200 0.004 0.000 0.950 467 S CB -0.425 62.778 63.200 0.006 0.000 0.779 467 S HN 0.257 nan 8.310 nan 0.000 0.532 468 K N 1.679 122.094 120.400 0.025 0.000 2.156 468 K HA 0.361 4.682 4.320 0.002 0.000 0.250 468 K C -0.449 176.183 176.600 0.052 0.000 0.955 468 K CA -0.878 55.428 56.287 0.032 0.000 0.855 468 K CB 0.591 33.100 32.500 0.015 0.000 1.101 468 K HN 0.166 nan 8.250 nan 0.000 0.434 469 N N 2.119 120.850 118.700 0.052 0.000 2.453 469 N HA 0.035 4.776 4.740 0.002 0.000 0.253 469 N C -0.579 174.923 175.510 -0.013 0.000 1.252 469 N CA 0.407 53.495 53.050 0.062 0.000 0.917 469 N CB 0.745 39.262 38.487 0.051 0.000 1.117 469 N HN 0.477 nan 8.380 nan 0.000 0.442 470 E N 1.045 121.188 120.200 -0.095 0.000 2.260 470 E HA 0.196 4.547 4.350 0.002 0.000 0.266 470 E C -0.734 175.669 176.600 -0.328 0.000 0.887 470 E CA -0.555 55.687 56.400 -0.263 0.000 0.777 470 E CB 1.883 31.317 29.700 -0.443 0.000 1.205 470 E HN 0.239 nan 8.360 nan 0.000 0.414 471 R N 3.153 123.538 120.500 -0.191 0.000 2.288 471 R HA 0.214 4.555 4.340 0.002 0.000 0.330 471 R C 0.038 176.244 176.300 -0.157 0.000 1.069 471 R CA -0.162 55.856 56.100 -0.138 0.000 0.941 471 R CB 0.320 30.580 30.300 -0.067 0.000 0.998 471 R HN 0.307 nan 8.270 nan 0.000 0.452 472 I N 3.321 123.799 120.570 -0.153 0.000 2.365 472 I HA 0.250 4.422 4.170 0.002 0.000 0.291 472 I C 0.449 176.581 176.117 0.024 0.000 1.004 472 I CA -0.103 61.139 61.300 -0.097 0.000 1.311 472 I CB 1.253 39.204 38.000 -0.081 0.000 1.401 472 I HN 0.589 nan 8.210 nan 0.000 0.491 473 E N 3.413 123.663 120.200 0.083 0.000 2.433 473 E HA 0.229 4.580 4.350 0.002 0.000 0.273 473 E C -0.003 176.736 176.600 0.232 0.000 0.950 473 E CA -0.614 55.941 56.400 0.259 0.000 0.796 473 E CB 1.749 31.615 29.700 0.277 0.000 1.330 473 E HN 0.545 nan 8.360 nan 0.000 0.455 474 Y N -0.032 120.317 120.300 0.082 0.000 2.556 474 Y HA -0.121 4.430 4.550 0.002 0.000 0.290 474 Y C 1.058 176.948 175.900 -0.017 0.000 1.149 474 Y CA 1.285 59.355 58.100 -0.049 0.000 1.329 474 Y CB -0.281 38.026 38.460 -0.255 0.000 0.975 474 Y HN 0.363 nan 8.280 nan 0.000 0.561 475 N N -0.019 118.379 118.700 -0.504 0.000 2.319 475 N HA -0.027 4.714 4.740 0.002 0.000 0.189 475 N C -0.050 175.350 175.510 -0.184 0.000 1.042 475 N CA 0.623 53.384 53.050 -0.482 0.000 0.879 475 N CB -0.086 38.108 38.487 -0.490 0.000 1.052 475 N HN 0.036 nan 8.380 nan 0.000 0.446 476 T N 2.471 116.962 114.554 -0.105 0.000 2.343 476 T HA -0.182 4.169 4.350 0.002 0.000 0.183 476 T C -0.134 174.548 174.700 -0.031 0.000 1.034 476 T CA 0.926 62.993 62.100 -0.054 0.000 1.198 476 T CB -0.337 68.507 68.868 -0.041 0.000 0.977 476 T HN 0.310 nan 8.240 nan 0.000 0.433 477 Q N 1.448 121.239 119.800 -0.016 0.000 2.552 477 Q HA 0.679 5.020 4.340 0.002 0.000 0.289 477 Q C -0.307 175.726 176.000 0.055 0.000 1.097 477 Q CA -1.223 54.589 55.803 0.016 0.000 0.812 477 Q CB 1.456 30.197 28.738 0.005 0.000 1.460 477 Q HN 0.583 nan 8.270 nan 0.000 0.452 478 S N 1.188 116.950 115.700 0.103 0.000 2.564 478 S HA 0.284 4.755 4.470 0.002 0.000 0.278 478 S C -0.431 174.293 174.600 0.206 0.000 1.333 478 S CA -0.624 57.705 58.200 0.214 0.000 1.048 478 S CB 0.063 63.442 63.200 0.298 0.000 0.900 478 S HN 0.610 nan 8.310 nan 0.000 0.505 479 N N 2.399 121.206 118.700 0.179 0.000 2.682 479 N HA 0.258 4.999 4.740 0.002 0.000 0.252 479 N C -1.921 173.583 175.510 -0.010 0.000 1.081 479 N CA -0.238 52.846 53.050 0.056 0.000 0.844 479 N CB 0.588 39.047 38.487 -0.046 0.000 1.167 479 N HN 0.608 nan 8.380 nan 0.000 0.523 480 Y N 0.968 121.231 120.300 -0.062 0.000 2.328 480 Y HA 0.498 5.049 4.550 0.002 0.000 0.336 480 Y C 0.538 176.387 175.900 -0.086 0.000 0.960 480 Y CA -0.707 57.363 58.100 -0.051 0.000 1.134 480 Y CB 1.548 39.991 38.460 -0.029 0.000 1.166 480 Y HN 0.259 nan 8.280 nan 0.000 0.464 481 I N 3.154 123.735 120.570 0.018 0.000 2.315 481 I HA 0.195 4.367 4.170 0.002 0.000 0.291 481 I C -0.098 176.012 176.117 -0.011 0.000 1.006 481 I CA -0.822 60.473 61.300 -0.008 0.000 1.265 481 I CB 1.412 39.413 38.000 0.001 0.000 1.387 481 I HN 0.512 nan 8.210 nan 0.000 0.475 482 E N 5.672 125.858 120.200 -0.023 0.000 1.996 482 E HA 0.105 4.456 4.350 0.002 0.000 0.280 482 E C -0.141 176.168 176.600 -0.485 0.000 1.092 482 E CA -0.136 56.185 56.400 -0.131 0.000 0.862 482 E CB 0.159 29.835 29.700 -0.041 0.000 1.066 482 E HN 0.321 nan 8.360 nan 0.000 0.396 483 N N 3.757 122.090 118.700 -0.613 0.000 2.715 483 N HA 0.079 4.820 4.740 0.002 0.000 0.254 483 N C -1.184 173.879 175.510 -0.745 0.000 1.306 483 N CA 0.247 52.606 53.050 -1.151 0.000 0.956 483 N CB -0.082 38.111 38.487 -0.490 0.000 1.296 483 N HN 0.542 nan 8.380 nan 0.000 0.512 484 D N -1.265 118.828 120.400 -0.512 0.000 2.609 484 D HA 0.529 5.170 4.640 0.002 0.000 0.239 484 D C -1.628 174.739 176.300 0.111 0.000 1.229 484 D CA -0.738 53.184 54.000 -0.130 0.000 0.808 484 D CB 1.136 41.877 40.800 -0.098 0.000 1.448 484 D HN -0.118 nan 8.370 nan 0.000 0.433 485 F N 1.097 121.026 119.950 -0.034 0.000 2.641 485 F HA 0.530 5.058 4.527 0.001 0.000 0.308 485 F C -2.461 173.314 175.800 -0.042 0.000 1.105 485 F CA -1.695 56.297 58.000 -0.013 0.000 0.964 485 F CB 2.447 41.457 39.000 0.017 0.000 1.294 485 F HN 0.158 nan 8.300 nan 0.000 0.442 486 P HA 0.206 nan 4.420 nan 0.000 0.262 486 P C 0.756 177.910 177.300 -0.244 0.000 1.620 486 P CA 0.013 62.888 63.100 -0.375 0.000 1.089 486 P CB 0.829 32.273 31.700 -0.425 0.000 1.601 487 I N 3.888 124.434 120.570 -0.040 0.000 2.399 487 I HA -0.319 3.852 4.170 0.002 0.000 0.254 487 I C 1.604 177.703 176.117 -0.030 0.000 1.146 487 I CA 1.617 62.924 61.300 0.012 0.000 1.412 487 I CB -0.563 37.436 38.000 -0.001 0.000 1.076 487 I HN 0.169 nan 8.210 nan 0.000 0.432 488 N N 0.569 119.231 118.700 -0.062 0.000 2.039 488 N HA -0.242 4.499 4.740 0.002 0.000 0.193 488 N C 1.769 177.247 175.510 -0.053 0.000 1.044 488 N CA 1.837 54.855 53.050 -0.055 0.000 0.847 488 N CB -0.328 38.122 38.487 -0.061 0.000 1.030 488 N HN 0.631 nan 8.380 nan 0.000 0.422 489 E N 0.615 120.762 120.200 -0.089 0.000 2.097 489 E HA -0.242 4.109 4.350 0.002 0.000 0.196 489 E C 1.959 178.558 176.600 -0.002 0.000 1.000 489 E CA 1.089 57.447 56.400 -0.070 0.000 0.804 489 E CB -0.514 29.102 29.700 -0.140 0.000 0.740 489 E HN 0.283 nan 8.360 nan 0.000 0.454 490 L N 1.170 122.422 121.223 0.048 0.000 2.042 490 L HA -0.140 4.201 4.340 0.002 0.000 0.210 490 L C 2.343 179.228 176.870 0.025 0.000 1.076 490 L CA 1.742 56.641 54.840 0.099 0.000 0.749 490 L CB -0.223 41.894 42.059 0.098 0.000 0.893 490 L HN 0.252 nan 8.230 nan 0.000 0.432 491 I N -1.129 119.442 120.570 0.003 0.000 2.676 491 I HA -0.215 3.956 4.170 0.002 0.000 0.259 491 I C 1.513 177.636 176.117 0.010 0.000 1.194 491 I CA 0.848 62.152 61.300 0.007 0.000 1.473 491 I CB -0.086 37.909 38.000 -0.008 0.000 1.096 491 I HN 0.230 nan 8.210 nan 0.000 0.443 492 L N -0.283 120.943 121.223 0.005 0.000 2.769 492 L HA 0.193 4.534 4.340 0.002 0.000 0.240 492 L C -0.009 176.870 176.870 0.014 0.000 1.163 492 L CA -0.232 54.610 54.840 0.003 0.000 0.962 492 L CB -0.165 41.888 42.059 -0.010 0.000 1.258 492 L HN 0.023 nan 8.230 nan 0.000 0.513 493 D N -0.154 120.263 120.400 0.029 0.000 2.371 493 D HA 0.025 4.667 4.640 0.002 0.000 0.256 493 D C 1.233 177.555 176.300 0.038 0.000 1.193 493 D CA 0.366 54.391 54.000 0.041 0.000 0.881 493 D CB 1.363 42.201 40.800 0.064 0.000 1.143 493 D HN -0.063 nan 8.370 nan 0.000 0.473 494 T N 2.170 116.745 114.554 0.034 0.000 2.732 494 T HA -0.089 4.262 4.350 0.002 0.000 0.261 494 T C 0.672 175.394 174.700 0.037 0.000 1.040 494 T CA 0.755 62.873 62.100 0.031 0.000 1.145 494 T CB 0.070 68.955 68.868 0.027 0.000 0.866 494 T HN 0.453 nan 8.240 nan 0.000 0.427 495 D N 0.887 121.314 120.400 0.044 0.000 2.587 495 D HA 0.199 4.840 4.640 0.002 0.000 0.233 495 D C 1.155 177.487 176.300 0.054 0.000 1.213 495 D CA -0.066 53.962 54.000 0.048 0.000 0.827 495 D CB 0.641 41.472 40.800 0.053 0.000 1.006 495 D HN 0.169 nan 8.370 nan 0.000 0.490 496 L N 0.175 121.432 121.223 0.056 0.000 2.102 496 L HA 0.087 4.428 4.340 0.002 0.000 0.202 496 L C 0.506 177.407 176.870 0.053 0.000 1.076 496 L CA 1.138 56.014 54.840 0.060 0.000 0.761 496 L CB 0.225 42.328 42.059 0.074 0.000 0.921 496 L HN -0.129 nan 8.230 nan 0.000 0.444 497 I N 1.240 121.839 120.570 0.048 0.000 2.322 497 I HA 0.117 4.288 4.170 0.002 0.000 0.292 497 I C 0.758 176.889 176.117 0.023 0.000 1.060 497 I CA 0.060 61.382 61.300 0.036 0.000 1.309 497 I CB -0.101 37.920 38.000 0.035 0.000 1.415 497 I HN 0.166 nan 8.210 nan 0.000 0.492 498 S N 6.437 122.146 115.700 0.015 0.000 2.550 498 S HA -0.031 4.440 4.470 0.002 0.000 0.285 498 S C 0.954 175.550 174.600 -0.007 0.000 1.326 498 S CA 0.328 58.528 58.200 0.000 0.000 1.037 498 S CB 0.256 63.443 63.200 -0.021 0.000 0.838 498 S HN 0.753 nan 8.310 nan 0.000 0.519 499 K N 2.745 123.140 120.400 -0.009 0.000 2.592 499 K HA 0.319 4.640 4.320 0.002 0.000 0.203 499 K C -0.603 175.983 176.600 -0.024 0.000 1.070 499 K CA -0.602 55.678 56.287 -0.012 0.000 1.062 499 K CB 0.179 32.679 32.500 -0.000 0.000 0.814 499 K HN 0.323 nan 8.250 nan 0.000 0.502 500 I N 3.316 123.863 120.570 -0.040 0.000 2.396 500 I HA 0.080 4.251 4.170 0.002 0.000 0.292 500 I C 0.715 176.782 176.117 -0.084 0.000 0.999 500 I CA -0.955 60.309 61.300 -0.060 0.000 1.310 500 I CB 1.103 39.057 38.000 -0.077 0.000 1.404 500 I HN 0.348 nan 8.210 nan 0.000 0.496 501 E N 5.510 125.658 120.200 -0.085 0.000 2.442 501 E HA 0.021 4.372 4.350 0.002 0.000 0.262 501 E C -0.958 175.554 176.600 -0.147 0.000 1.004 501 E CA -0.501 55.842 56.400 -0.095 0.000 0.928 501 E CB 0.904 30.557 29.700 -0.079 0.000 0.937 501 E HN 0.388 nan 8.360 nan 0.000 0.446 502 L N 5.511 126.654 121.223 -0.133 0.000 2.331 502 L HA 0.323 4.664 4.340 0.002 0.000 0.278 502 L C -2.249 174.514 176.870 -0.179 0.000 1.106 502 L CA -1.616 53.123 54.840 -0.167 0.000 0.824 502 L CB 0.556 42.551 42.059 -0.108 0.000 1.142 502 L HN 0.587 nan 8.230 nan 0.000 0.443 503 P HA 0.143 nan 4.420 nan 0.000 0.270 503 P C -1.072 176.203 177.300 -0.042 0.000 1.223 503 P CA -0.297 62.648 63.100 -0.259 0.000 0.785 503 P CB 0.404 31.741 31.700 -0.605 0.000 0.923 504 S N 0.145 115.868 115.700 0.039 0.000 2.549 504 S HA 0.036 4.507 4.470 0.002 0.000 0.283 504 S C 1.005 175.732 174.600 0.212 0.000 1.320 504 S CA -0.232 58.025 58.200 0.095 0.000 1.058 504 S CB 0.421 63.667 63.200 0.077 0.000 0.882 504 S HN 0.591 nan 8.310 nan 0.000 0.498 505 E N 2.094 122.406 120.200 0.185 0.000 2.427 505 E HA -0.031 4.320 4.350 0.002 0.000 0.196 505 E C 0.018 176.642 176.600 0.040 0.000 1.028 505 E CA 0.010 56.552 56.400 0.237 0.000 0.864 505 E CB -0.136 29.699 29.700 0.224 0.000 0.813 505 E HN 0.529 nan 8.360 nan 0.000 0.514 506 N N 1.176 119.884 118.700 0.014 0.000 2.530 506 N HA 0.162 4.903 4.740 0.002 0.000 0.273 506 N C -0.471 174.938 175.510 -0.169 0.000 1.173 506 N CA 0.459 53.461 53.050 -0.080 0.000 0.967 506 N CB 1.724 40.196 38.487 -0.026 0.000 1.109 506 N HN 0.138 nan 8.380 nan 0.000 0.453 507 T N -0.288 114.105 114.554 -0.269 0.000 2.658 507 T HA 0.091 4.442 4.350 0.002 0.000 0.306 507 T C -1.529 173.034 174.700 -0.227 0.000 1.544 507 T CA -0.647 61.277 62.100 -0.294 0.000 0.991 507 T CB 0.475 68.954 68.868 -0.649 0.000 1.774 507 T HN 0.261 nan 8.240 nan 0.000 0.479 508 E N 1.833 121.923 120.200 -0.182 0.000 2.413 508 E HA 0.256 4.607 4.350 0.002 0.000 0.263 508 E C 0.041 176.550 176.600 -0.151 0.000 1.015 508 E CA 0.216 56.539 56.400 -0.129 0.000 0.916 508 E CB 0.784 30.429 29.700 -0.092 0.000 0.947 508 E HN 0.550 nan 8.360 nan 0.000 0.440 509 S N 1.571 117.206 115.700 -0.108 0.000 2.579 509 S HA 0.063 4.534 4.470 0.002 0.000 0.275 509 S C 0.252 174.770 174.600 -0.137 0.000 1.345 509 S CA -0.556 57.587 58.200 -0.095 0.000 1.031 509 S CB 0.415 63.593 63.200 -0.037 0.000 0.892 509 S HN 0.334 nan 8.310 nan 0.000 0.529 510 L N 2.853 123.971 121.223 -0.175 0.000 2.331 510 L HA 0.361 4.702 4.340 0.002 0.000 0.278 510 L C 1.249 177.754 176.870 -0.607 0.000 1.106 510 L CA 0.514 55.144 54.840 -0.351 0.000 0.824 510 L CB 0.923 42.763 42.059 -0.366 0.000 1.142 510 L HN 0.893 nan 8.230 nan 0.000 0.443 511 T N -1.133 113.076 114.554 -0.575 0.000 2.955 511 T HA 0.170 4.521 4.350 0.002 0.000 0.251 511 T C 0.415 174.758 174.700 -0.595 0.000 1.002 511 T CA -0.003 61.788 62.100 -0.514 0.000 0.970 511 T CB -0.121 68.638 68.868 -0.182 0.000 1.091 511 T HN 0.497 nan 8.240 nan 0.000 0.495 512 D N 1.055 121.148 120.400 -0.512 0.000 2.468 512 D HA 0.278 4.919 4.640 0.002 0.000 0.218 512 D C -0.575 175.529 176.300 -0.327 0.000 1.155 512 D CA -1.238 52.588 54.000 -0.289 0.000 0.924 512 D CB -0.264 40.436 40.800 -0.166 0.000 1.029 512 D HN 0.322 nan 8.370 nan 0.000 0.515 513 F N 1.474 121.417 119.950 -0.012 0.000 2.693 513 F HA 0.153 4.681 4.527 0.002 0.000 0.303 513 F C 1.182 176.978 175.800 -0.006 0.000 1.143 513 F CA -0.714 57.279 58.000 -0.012 0.000 1.389 513 F CB -0.561 38.432 39.000 -0.012 0.000 1.060 513 F HN 0.166 nan 8.300 nan 0.000 0.535 514 N N 1.517 120.280 118.700 0.105 0.000 2.412 514 N HA 0.220 4.961 4.740 0.002 0.000 0.258 514 N C -0.772 174.771 175.510 0.055 0.000 1.236 514 N CA 0.425 53.513 53.050 0.063 0.000 0.882 514 N CB 0.689 39.187 38.487 0.018 0.000 1.066 514 N HN 0.048 nan 8.380 nan 0.000 0.465 515 V N 2.650 122.594 119.914 0.049 0.000 3.174 515 V HA 0.211 4.332 4.120 0.002 0.000 0.280 515 V C -1.849 174.245 176.094 -0.000 0.000 1.554 515 V CA -0.983 61.349 62.300 0.053 0.000 1.016 515 V CB 2.116 34.029 31.823 0.150 0.000 1.197 515 V HN 0.688 nan 8.190 nan 0.000 0.453 516 D N 3.565 123.940 120.400 -0.042 0.000 2.280 516 D HA 0.483 5.124 4.640 0.002 0.000 0.243 516 D C -0.451 175.705 176.300 -0.240 0.000 1.129 516 D CA 0.106 54.035 54.000 -0.118 0.000 0.848 516 D CB 2.010 42.729 40.800 -0.135 0.000 1.107 516 D HN 0.357 nan 8.370 nan 0.000 0.471 517 V N 4.304 124.026 119.914 -0.321 0.000 2.398 517 V HA 0.281 4.402 4.120 0.002 0.000 0.286 517 V C -1.939 173.871 176.094 -0.473 0.000 1.026 517 V CA -1.527 60.419 62.300 -0.591 0.000 0.868 517 V CB 1.358 32.913 31.823 -0.448 0.000 0.982 517 V HN 0.374 nan 8.190 nan 0.000 0.443 518 P HA 0.290 nan 4.420 nan 0.000 0.269 518 P C -0.972 175.895 177.300 -0.722 0.000 1.209 518 P CA -0.145 62.596 63.100 -0.599 0.000 0.776 518 P CB 0.628 31.916 31.700 -0.686 0.000 0.876 519 V N 3.258 122.780 119.914 -0.653 0.000 2.444 519 V HA 0.359 4.480 4.120 0.002 0.000 0.294 519 V C -0.644 175.153 176.094 -0.495 0.000 1.022 519 V CA -0.577 61.434 62.300 -0.481 0.000 0.850 519 V CB 0.478 32.161 31.823 -0.233 0.000 0.992 519 V HN 0.430 nan 8.190 nan 0.000 0.426 520 Y N 2.631 122.825 120.300 -0.176 0.000 2.528 520 Y HA 0.788 5.338 4.550 0.002 0.000 0.335 520 Y C 0.448 176.453 175.900 0.176 0.000 1.093 520 Y CA -0.837 57.236 58.100 -0.045 0.000 1.134 520 Y CB 1.922 40.217 38.460 -0.275 0.000 1.253 520 Y HN 0.744 nan 8.280 nan 0.000 0.478 521 E N 0.062 120.534 120.200 0.453 0.000 2.378 521 E HA 0.324 4.675 4.350 0.002 0.000 0.283 521 E C -1.892 174.623 176.600 -0.142 0.000 0.979 521 E CA -1.307 55.203 56.400 0.184 0.000 0.795 521 E CB 1.477 31.220 29.700 0.072 0.000 1.221 521 E HN 0.467 nan 8.360 nan 0.000 0.428 522 K N 1.695 121.773 120.400 -0.537 0.000 2.380 522 K HA 0.056 4.377 4.320 0.002 0.000 0.267 522 K C 0.079 176.526 176.600 -0.256 0.000 0.990 522 K CA 0.167 56.092 56.287 -0.604 0.000 0.946 522 K CB 0.482 32.623 32.500 -0.597 0.000 0.937 522 K HN 0.628 nan 8.250 nan 0.000 0.491 523 Q N 0.475 120.155 119.800 -0.200 0.000 2.484 523 Q HA 0.463 4.804 4.340 0.002 0.000 0.285 523 Q C -2.888 173.062 176.000 -0.083 0.000 1.097 523 Q CA -2.613 53.120 55.803 -0.117 0.000 0.802 523 Q CB 1.417 30.087 28.738 -0.112 0.000 1.444 523 Q HN 0.155 nan 8.270 nan 0.000 0.429 524 P HA -0.090 nan 4.420 nan 0.000 0.263 524 P C -0.414 176.957 177.300 0.119 0.000 1.168 524 P CA 0.673 63.792 63.100 0.031 0.000 0.759 524 P CB 0.524 32.258 31.700 0.057 0.000 0.782 525 A N 4.076 126.967 122.820 0.119 0.000 2.251 525 A HA 0.175 4.496 4.320 0.002 0.000 0.209 525 A C 0.658 178.360 177.584 0.196 0.000 1.187 525 A CA 0.601 52.769 52.037 0.218 0.000 0.823 525 A CB -0.451 18.609 19.000 0.100 0.000 0.846 525 A HN 0.506 nan 8.150 nan 0.000 0.486 526 I N -0.275 120.367 120.570 0.120 0.000 2.534 526 I HA 0.280 4.451 4.170 0.002 0.000 0.288 526 I C -0.632 175.493 176.117 0.015 0.000 1.077 526 I CA -0.540 60.754 61.300 -0.011 0.000 1.051 526 I CB 2.251 40.233 38.000 -0.031 0.000 1.234 526 I HN -0.002 nan 8.210 nan 0.000 0.425 527 K N 6.723 127.080 120.400 -0.072 0.000 2.450 527 K HA 0.382 4.703 4.320 0.002 0.000 0.257 527 K C -0.883 175.675 176.600 -0.071 0.000 0.953 527 K CA -0.718 55.563 56.287 -0.009 0.000 0.844 527 K CB 1.653 34.185 32.500 0.054 0.000 1.103 527 K HN 0.522 nan 8.250 nan 0.000 0.429 528 K N 6.447 126.821 120.400 -0.043 0.000 2.276 528 K HA 0.266 4.587 4.320 0.002 0.000 0.285 528 K C -0.203 176.362 176.600 -0.057 0.000 1.062 528 K CA -0.521 55.708 56.287 -0.098 0.000 0.918 528 K CB 0.426 32.872 32.500 -0.090 0.000 1.055 528 K HN 0.626 nan 8.250 nan 0.000 0.477 529 I N 0.019 120.503 120.570 -0.142 0.000 2.957 529 I HA 0.578 4.749 4.170 0.002 0.000 0.310 529 I C -1.190 174.793 176.117 -0.224 0.000 1.063 529 I CA -1.184 60.096 61.300 -0.034 0.000 1.033 529 I CB 1.407 39.407 38.000 -0.001 0.000 1.230 529 I HN 0.320 nan 8.210 nan 0.000 0.447 530 F N 1.105 121.006 119.950 -0.082 0.000 2.482 530 F HA 0.760 5.287 4.527 0.000 0.000 0.331 530 F C 0.289 175.996 175.800 -0.155 0.000 1.115 530 F CA -0.485 57.454 58.000 -0.102 0.000 0.955 530 F CB 2.138 41.100 39.000 -0.064 0.000 1.136 530 F HN 0.658 nan 8.300 nan 0.000 0.452 531 T N 1.433 115.943 114.554 -0.074 0.000 3.087 531 T HA 0.215 4.566 4.350 0.002 0.000 0.351 531 T C -0.896 173.729 174.700 -0.126 0.000 1.520 531 T CA -0.669 61.320 62.100 -0.184 0.000 1.111 531 T CB 1.107 69.612 68.868 -0.605 0.000 1.353 531 T HN 0.568 nan 8.240 nan 0.000 0.481 532 D N 2.099 122.465 120.400 -0.057 0.000 2.363 532 D HA 0.154 4.795 4.640 0.002 0.000 0.214 532 D C 0.400 176.710 176.300 0.015 0.000 1.093 532 D CA -0.009 53.987 54.000 -0.006 0.000 0.837 532 D CB 0.635 41.451 40.800 0.026 0.000 0.948 532 D HN 0.578 nan 8.370 nan 0.000 0.507 533 E N 1.136 121.322 120.200 -0.023 0.000 2.398 533 E HA 0.099 4.450 4.350 0.002 0.000 0.263 533 E C 0.160 176.829 176.600 0.115 0.000 1.046 533 E CA 0.342 56.778 56.400 0.060 0.000 0.908 533 E CB 0.752 30.521 29.700 0.115 0.000 0.963 533 E HN -0.031 nan 8.360 nan 0.000 0.431 534 N N 1.789 120.576 118.700 0.145 0.000 2.746 534 N HA 0.120 4.861 4.740 0.002 0.000 0.250 534 N C -0.556 175.011 175.510 0.096 0.000 1.146 534 N CA -0.017 53.148 53.050 0.191 0.000 0.828 534 N CB 1.582 40.196 38.487 0.213 0.000 1.158 534 N HN 0.333 nan 8.380 nan 0.000 0.519 535 T N 0.000 114.639 114.554 0.142 0.000 2.780 535 T HA 0.380 4.731 4.350 0.002 0.000 0.263 535 T C 1.765 176.412 174.700 -0.088 0.000 0.993 535 T CA -0.628 61.448 62.100 -0.041 0.000 1.010 535 T CB 0.673 69.546 68.868 0.008 0.000 1.642 535 T HN 0.306 nan 8.240 nan 0.000 0.587 536 I N 0.128 120.520 120.570 -0.297 0.000 2.143 536 I HA -0.243 3.928 4.170 0.002 0.000 0.245 536 I C 1.818 177.858 176.117 -0.129 0.000 1.068 536 I CA 2.157 63.283 61.300 -0.290 0.000 1.326 536 I CB -0.253 37.496 38.000 -0.419 0.000 1.028 536 I HN 0.698 nan 8.210 nan 0.000 0.412 537 F N 0.517 120.609 119.950 0.235 0.000 2.102 537 F HA -0.250 4.282 4.527 0.008 0.000 0.298 537 F C 2.638 178.603 175.800 0.274 0.000 1.105 537 F CA 1.200 59.340 58.000 0.233 0.000 1.239 537 F CB -0.978 38.153 39.000 0.219 0.000 0.991 537 F HN 0.083 nan 8.300 nan 0.000 0.474 538 Q N -0.429 119.637 119.800 0.444 0.000 2.079 538 Q HA -0.163 4.178 4.340 0.002 0.000 0.200 538 Q C 2.024 178.326 176.000 0.502 0.000 0.974 538 Q CA 1.522 57.588 55.803 0.438 0.000 0.840 538 Q CB -0.805 28.193 28.738 0.435 0.000 0.898 538 Q HN 0.440 nan 8.270 nan 0.000 0.430 539 Y N 0.021 120.433 120.300 0.186 0.000 2.242 539 Y HA -0.121 4.439 4.550 0.017 0.000 0.291 539 Y C 1.876 177.939 175.900 0.272 0.000 1.137 539 Y CA 0.846 59.022 58.100 0.127 0.000 1.181 539 Y CB -0.196 38.191 38.460 -0.121 0.000 0.989 539 Y HN 0.075 nan 8.280 nan 0.000 0.527 540 L N -1.871 119.594 121.223 0.404 0.000 2.056 540 L HA -0.268 4.073 4.340 0.002 0.000 0.207 540 L C 2.249 179.355 176.870 0.393 0.000 1.078 540 L CA 1.511 56.609 54.840 0.430 0.000 0.749 540 L CB -0.691 41.608 42.059 0.400 0.000 0.901 540 L HN 0.236 nan 8.230 nan 0.000 0.433 541 Y N 0.972 121.413 120.300 0.235 0.000 2.207 541 Y HA -0.311 4.239 4.550 0.000 0.000 0.287 541 Y C 2.873 178.805 175.900 0.053 0.000 1.156 541 Y CA 1.641 59.812 58.100 0.117 0.000 1.182 541 Y CB -0.229 38.308 38.460 0.129 0.000 0.979 541 Y HN 0.273 nan 8.280 nan 0.000 0.521 542 S N -0.686 115.105 115.700 0.153 0.000 2.507 542 S HA -0.175 4.296 4.470 0.002 0.000 0.235 542 S C 1.365 175.981 174.600 0.027 0.000 0.988 542 S CA 1.135 59.336 58.200 0.002 0.000 0.944 542 S CB -0.414 62.776 63.200 -0.018 0.000 0.762 542 S HN 0.707 nan 8.310 nan 0.000 0.526 543 Q N 1.515 121.352 119.800 0.062 0.000 2.280 543 Q HA 0.166 4.507 4.340 0.002 0.000 0.201 543 Q C 0.586 176.472 176.000 -0.190 0.000 0.890 543 Q CA 0.423 56.270 55.803 0.072 0.000 0.947 543 Q CB 0.616 29.527 28.738 0.289 0.000 1.081 543 Q HN 0.805 nan 8.270 nan 0.000 0.502 544 T N -1.601 112.729 114.554 -0.374 0.000 2.922 544 T HA 0.692 5.044 4.350 0.002 0.000 0.281 544 T C -0.374 174.243 174.700 -0.139 0.000 1.005 544 T CA -0.837 60.983 62.100 -0.466 0.000 0.982 544 T CB 1.150 69.605 68.868 -0.689 0.000 1.158 544 T HN 0.162 nan 8.240 nan 0.000 0.566 545 F N -2.534 117.238 119.950 -0.296 0.000 2.665 545 F HA 0.722 5.249 4.527 0.001 0.000 0.308 545 F C -3.251 172.461 175.800 -0.146 0.000 1.112 545 F CA -2.437 55.442 58.000 -0.201 0.000 0.972 545 F CB -0.418 38.497 39.000 -0.141 0.000 1.295 545 F HN 0.445 nan 8.300 nan 0.000 0.440 546 P HA 0.235 nan 4.420 nan 0.000 0.268 546 P C 0.742 178.033 177.300 -0.015 0.000 1.208 546 P CA -0.360 62.723 63.100 -0.027 0.000 0.777 546 P CB 0.878 32.593 31.700 0.026 0.000 0.875 547 L N 1.209 122.401 121.223 -0.053 0.000 2.141 547 L HA -0.142 4.199 4.340 0.002 0.000 0.209 547 L C 1.501 178.389 176.870 0.029 0.000 1.094 547 L CA 1.441 56.263 54.840 -0.030 0.000 0.763 547 L CB -0.655 41.380 42.059 -0.040 0.000 0.908 547 L HN 0.486 nan 8.230 nan 0.000 0.437 548 D N -0.811 119.607 120.400 0.029 0.000 2.363 548 D HA -0.034 4.607 4.640 0.002 0.000 0.226 548 D C 0.534 176.862 176.300 0.046 0.000 1.020 548 D CA 0.405 54.425 54.000 0.033 0.000 0.892 548 D CB 0.063 40.875 40.800 0.020 0.000 0.900 548 D HN 0.026 nan 8.370 nan 0.000 0.531 549 I N 1.236 121.854 120.570 0.081 0.000 2.404 549 I HA 0.287 4.458 4.170 0.002 0.000 0.293 549 I C 1.244 177.415 176.117 0.090 0.000 0.992 549 I CA -0.646 60.695 61.300 0.068 0.000 1.149 549 I CB 1.969 40.019 38.000 0.082 0.000 1.315 549 I HN 0.084 nan 8.210 nan 0.000 0.446 550 R N 2.139 122.629 120.500 -0.018 0.000 2.521 550 R HA 0.272 4.613 4.340 0.002 0.000 0.289 550 R C -0.534 175.564 176.300 -0.337 0.000 0.936 550 R CA -0.282 55.797 56.100 -0.034 0.000 1.089 550 R CB 0.535 30.895 30.300 0.100 0.000 1.348 550 R HN 0.385 nan 8.270 nan 0.000 0.536 551 D N 2.323 122.415 120.400 -0.514 0.000 2.441 551 D HA 0.331 4.972 4.640 0.002 0.000 0.231 551 D C -0.296 175.708 176.300 -0.492 0.000 1.073 551 D CA -0.679 52.807 54.000 -0.858 0.000 0.850 551 D CB 1.064 41.266 40.800 -0.997 0.000 1.062 551 D HN 0.404 nan 8.370 nan 0.000 0.524 552 I N -0.144 120.155 120.570 -0.453 0.000 3.108 552 I HA 0.776 4.947 4.170 0.002 0.000 0.312 552 I C -0.802 175.177 176.117 -0.231 0.000 1.095 552 I CA -0.979 60.112 61.300 -0.347 0.000 1.000 552 I CB 2.312 40.007 38.000 -0.509 0.000 1.229 552 I HN 0.269 nan 8.210 nan 0.000 0.454 553 S N 3.065 118.671 115.700 -0.156 0.000 2.549 553 S HA 0.674 5.145 4.470 0.002 0.000 0.280 553 S C -0.764 173.801 174.600 -0.059 0.000 1.109 553 S CA -0.935 57.214 58.200 -0.085 0.000 0.905 553 S CB 1.675 64.839 63.200 -0.059 0.000 1.081 553 S HN 0.665 nan 8.310 nan 0.000 0.477 554 L N 1.785 122.986 121.223 -0.037 0.000 2.418 554 L HA 0.719 5.060 4.340 0.002 0.000 0.265 554 L C 0.496 177.369 176.870 0.004 0.000 1.143 554 L CA -0.283 54.545 54.840 -0.021 0.000 0.809 554 L CB 1.500 43.546 42.059 -0.022 0.000 1.124 554 L HN 0.907 nan 8.230 nan 0.000 0.456 555 T N -1.122 113.444 114.554 0.020 0.000 2.932 555 T HA 0.195 4.546 4.350 0.002 0.000 0.318 555 T C 0.428 175.175 174.700 0.077 0.000 1.265 555 T CA -0.185 61.950 62.100 0.058 0.000 1.036 555 T CB 1.542 70.460 68.868 0.084 0.000 1.209 555 T HN 0.696 nan 8.240 nan 0.000 0.484 556 S N 1.860 117.623 115.700 0.104 0.000 2.558 556 S HA 0.175 4.646 4.470 0.002 0.000 0.217 556 S C 1.006 175.809 174.600 0.338 0.000 0.975 556 S CA 0.092 58.382 58.200 0.151 0.000 0.912 556 S CB 0.082 63.361 63.200 0.131 0.000 0.776 556 S HN 0.600 nan 8.310 nan 0.000 0.526 557 S N 1.292 117.150 115.700 0.264 0.000 2.411 557 S HA 0.330 4.801 4.470 0.002 0.000 0.304 557 S C 0.423 175.142 174.600 0.198 0.000 1.098 557 S CA -0.898 57.435 58.200 0.222 0.000 1.068 557 S CB -0.466 62.802 63.200 0.113 0.000 1.032 557 S HN 0.410 nan 8.310 nan 0.000 0.511 558 F N 4.950 124.899 119.950 -0.001 0.000 2.161 558 F HA -0.117 4.418 4.527 0.014 0.000 0.300 558 F C 1.578 177.237 175.800 -0.236 0.000 1.089 558 F CA 1.892 59.667 58.000 -0.376 0.000 1.282 558 F CB -0.087 38.480 39.000 -0.723 0.000 1.010 558 F HN 0.582 nan 8.300 nan 0.000 0.485 559 D N 0.044 120.246 120.400 -0.330 0.000 2.183 559 D HA -0.143 4.498 4.640 0.002 0.000 0.203 559 D C 1.708 177.776 176.300 -0.386 0.000 0.969 559 D CA 1.264 55.020 54.000 -0.406 0.000 0.842 559 D CB -0.363 40.351 40.800 -0.143 0.000 0.957 559 D HN 0.384 nan 8.370 nan 0.000 0.484 560 D N 0.697 120.940 120.400 -0.262 0.000 2.162 560 D HA -0.010 4.632 4.640 0.002 0.000 0.203 560 D C 2.072 178.218 176.300 -0.257 0.000 0.967 560 D CA 0.665 54.499 54.000 -0.277 0.000 0.840 560 D CB -0.103 40.652 40.800 -0.075 0.000 0.972 560 D HN 0.077 nan 8.370 nan 0.000 0.482 561 A N 0.744 123.443 122.820 -0.202 0.000 1.933 561 A HA -0.104 4.217 4.320 0.002 0.000 0.218 561 A C 2.306 179.751 177.584 -0.232 0.000 1.175 561 A CA 0.840 52.788 52.037 -0.147 0.000 0.628 561 A CB -0.639 18.326 19.000 -0.060 0.000 0.814 561 A HN 0.203 nan 8.150 nan 0.000 0.444 562 L N -1.420 119.560 121.223 -0.405 0.000 2.240 562 L HA -0.069 4.272 4.340 0.002 0.000 0.211 562 L C 2.466 179.197 176.870 -0.231 0.000 1.106 562 L CA 0.571 55.217 54.840 -0.322 0.000 0.793 562 L CB -0.300 41.469 42.059 -0.485 0.000 0.927 562 L HN 0.429 nan 8.230 nan 0.000 0.446 563 L N -0.569 120.444 121.223 -0.350 0.000 2.022 563 L HA 0.018 4.359 4.340 0.002 0.000 0.204 563 L C 0.465 177.195 176.870 -0.232 0.000 1.076 563 L CA 1.317 55.908 54.840 -0.415 0.000 0.749 563 L CB -0.213 41.350 42.059 -0.827 0.000 0.903 563 L HN -0.141 nan 8.230 nan 0.000 0.439 564 F N 0.046 119.958 119.950 -0.064 0.000 2.424 564 F HA 0.130 4.660 4.527 0.004 0.000 0.356 564 F C 1.820 177.585 175.800 -0.059 0.000 1.110 564 F CA -0.230 57.738 58.000 -0.054 0.000 1.161 564 F CB 0.867 39.835 39.000 -0.053 0.000 1.115 564 F HN 0.152 nan 8.300 nan 0.000 0.507 565 S N 1.162 116.953 115.700 0.151 0.000 2.400 565 S HA -0.261 4.210 4.470 0.002 0.000 0.232 565 S C 1.395 176.012 174.600 0.029 0.000 1.025 565 S CA 1.372 59.609 58.200 0.062 0.000 0.993 565 S CB -0.458 62.773 63.200 0.051 0.000 0.808 565 S HN 0.806 nan 8.310 nan 0.000 0.478 566 N N 1.065 119.775 118.700 0.016 0.000 2.383 566 N HA 0.033 4.774 4.740 0.002 0.000 0.192 566 N C -0.379 175.096 175.510 -0.058 0.000 1.141 566 N CA 0.063 53.075 53.050 -0.063 0.000 0.851 566 N CB 0.014 38.441 38.487 -0.100 0.000 0.976 566 N HN 0.239 nan 8.380 nan 0.000 0.465 567 K N 1.091 121.498 120.400 0.010 0.000 2.221 567 K HA 0.442 4.763 4.320 0.002 0.000 0.258 567 K C -0.875 175.718 176.600 -0.011 0.000 0.944 567 K CA -0.773 55.524 56.287 0.016 0.000 0.823 567 K CB 2.925 35.481 32.500 0.093 0.000 1.113 567 K HN -0.158 nan 8.250 nan 0.000 0.431 568 V N 3.258 123.163 119.914 -0.015 0.000 2.588 568 V HA 0.203 4.324 4.120 0.002 0.000 0.304 568 V C -0.678 175.459 176.094 0.072 0.000 1.042 568 V CA -1.150 61.157 62.300 0.012 0.000 0.877 568 V CB 1.439 33.246 31.823 -0.026 0.000 0.996 568 V HN 0.654 nan 8.190 nan 0.000 0.425 569 Y N 3.273 123.564 120.300 -0.016 0.000 2.411 569 Y HA 0.481 5.031 4.550 -0.000 0.000 0.333 569 Y C 0.531 176.445 175.900 0.022 0.000 1.186 569 Y CA 0.572 58.687 58.100 0.025 0.000 1.381 569 Y CB 1.188 39.687 38.460 0.066 0.000 1.273 569 Y HN 0.681 nan 8.280 nan 0.000 0.546 570 S N 5.959 121.187 115.700 -0.787 0.000 2.571 570 S HA 0.385 4.856 4.470 0.002 0.000 0.284 570 S C -0.327 173.686 174.600 -0.978 0.000 1.128 570 S CA -0.778 56.959 58.200 -0.772 0.000 0.970 570 S CB 0.039 63.043 63.200 -0.326 0.000 1.039 570 S HN 0.640 nan 8.310 nan 0.000 0.485 571 F N 2.681 122.194 119.950 -0.728 0.000 2.693 571 F HA 0.549 5.080 4.527 0.007 0.000 0.303 571 F C 0.035 175.719 175.800 -0.194 0.000 1.097 571 F CA -1.025 56.730 58.000 -0.408 0.000 1.330 571 F CB -0.433 38.439 39.000 -0.214 0.000 1.067 571 F HN 0.341 nan 8.300 nan 0.000 0.565 572 F N 1.346 120.970 119.950 -0.543 0.000 2.368 572 F HA 0.320 4.848 4.527 0.000 0.000 0.308 572 F C 1.580 177.292 175.800 -0.148 0.000 1.198 572 F CA -1.064 56.658 58.000 -0.463 0.000 1.130 572 F CB 0.758 39.225 39.000 -0.888 0.000 1.300 572 F HN 0.027 nan 8.300 nan 0.000 0.537 573 S N 1.250 117.010 115.700 0.099 0.000 2.564 573 S HA -0.155 4.316 4.470 0.002 0.000 0.263 573 S C 0.823 175.512 174.600 0.150 0.000 1.378 573 S CA -0.424 57.841 58.200 0.108 0.000 0.996 573 S CB 0.450 63.683 63.200 0.055 0.000 0.881 573 S HN 0.870 nan 8.310 nan 0.000 0.555 574 M N -0.039 119.627 119.600 0.110 0.000 2.288 574 M HA -0.046 4.435 4.480 0.002 0.000 0.266 574 M C 1.556 177.907 176.300 0.085 0.000 1.072 574 M CA 2.089 57.446 55.300 0.095 0.000 1.132 574 M CB -0.531 32.116 32.600 0.079 0.000 1.386 574 M HN 0.897 nan 8.290 nan 0.000 0.432 575 D N -0.369 120.081 120.400 0.083 0.000 2.117 575 D HA -0.221 4.420 4.640 0.002 0.000 0.198 575 D C 1.837 178.178 176.300 0.069 0.000 0.982 575 D CA 1.390 55.429 54.000 0.064 0.000 0.828 575 D CB -0.387 40.445 40.800 0.052 0.000 0.967 575 D HN 0.537 nan 8.370 nan 0.000 0.464 576 Y N 1.003 121.291 120.300 -0.019 0.000 2.128 576 Y HA -0.162 4.390 4.550 0.002 0.000 0.284 576 Y C 2.070 177.979 175.900 0.015 0.000 1.154 576 Y CA 1.686 59.768 58.100 -0.030 0.000 1.149 576 Y CB -0.447 37.969 38.460 -0.073 0.000 0.976 576 Y HN 0.015 nan 8.280 nan 0.000 0.505 577 I N 0.207 120.763 120.570 -0.023 0.000 2.264 577 I HA -0.326 3.845 4.170 0.002 0.000 0.248 577 I C 2.494 178.558 176.117 -0.089 0.000 1.111 577 I CA 1.679 62.923 61.300 -0.093 0.000 1.382 577 I CB -0.417 37.610 38.000 0.045 0.000 1.060 577 I HN 0.217 nan 8.210 nan 0.000 0.418 578 K N 0.209 120.592 120.400 -0.028 0.000 2.025 578 K HA -0.128 4.193 4.320 0.002 0.000 0.207 578 K C 2.093 178.705 176.600 0.021 0.000 1.049 578 K CA 1.845 58.135 56.287 0.005 0.000 0.933 578 K CB -0.141 32.374 32.500 0.026 0.000 0.714 578 K HN 0.246 nan 8.250 nan 0.000 0.438 579 T N 0.773 115.327 114.554 0.001 0.000 2.833 579 T HA -0.140 4.211 4.350 0.002 0.000 0.269 579 T C 1.806 176.619 174.700 0.189 0.000 1.054 579 T CA 1.293 63.442 62.100 0.082 0.000 1.135 579 T CB -0.169 68.689 68.868 -0.017 0.000 0.869 579 T HN 0.308 nan 8.240 nan 0.000 0.466 580 A N 2.064 124.846 122.820 -0.063 0.000 2.014 580 A HA -0.041 4.280 4.320 0.002 0.000 0.218 580 A C 2.101 179.822 177.584 0.228 0.000 1.163 580 A CA 0.980 53.027 52.037 0.017 0.000 0.652 580 A CB -0.260 18.543 19.000 -0.327 0.000 0.808 580 A HN 0.389 nan 8.150 nan 0.000 0.449 581 N N -0.281 118.481 118.700 0.103 0.000 2.336 581 N HA 0.007 4.748 4.740 0.002 0.000 0.189 581 N C 0.424 175.959 175.510 0.040 0.000 1.113 581 N CA 0.194 53.283 53.050 0.064 0.000 0.858 581 N CB 0.073 38.569 38.487 0.015 0.000 0.970 581 N HN 0.534 nan 8.380 nan 0.000 0.471 582 K N 1.617 122.069 120.400 0.087 0.000 2.412 582 K HA 0.148 4.469 4.320 0.002 0.000 0.281 582 K C -0.671 175.757 176.600 -0.286 0.000 1.027 582 K CA 0.033 56.307 56.287 -0.023 0.000 0.989 582 K CB 0.753 33.315 32.500 0.102 0.000 0.935 582 K HN -0.281 nan 8.250 nan 0.000 0.475 583 V N 6.025 125.804 119.914 -0.225 0.000 2.398 583 V HA 0.301 4.422 4.120 0.002 0.000 0.286 583 V C -0.058 175.917 176.094 -0.197 0.000 1.026 583 V CA -0.630 61.513 62.300 -0.262 0.000 0.868 583 V CB 1.263 32.994 31.823 -0.154 0.000 0.982 583 V HN 0.686 nan 8.190 nan 0.000 0.443 584 V N 1.675 121.483 119.914 -0.177 0.000 3.155 584 V HA 0.733 4.854 4.120 0.002 0.000 0.313 584 V C -0.259 175.903 176.094 0.113 0.000 1.162 584 V CA -1.005 61.279 62.300 -0.027 0.000 1.048 584 V CB 2.052 33.867 31.823 -0.013 0.000 1.092 584 V HN 0.619 nan 8.190 nan 0.000 0.447 585 E N 0.637 120.898 120.200 0.102 0.000 2.373 585 E HA 0.412 4.763 4.350 0.002 0.000 0.267 585 E C 1.288 177.945 176.600 0.096 0.000 1.032 585 E CA 0.586 57.053 56.400 0.112 0.000 0.889 585 E CB 1.538 31.269 29.700 0.052 0.000 0.984 585 E HN 0.957 nan 8.360 nan 0.000 0.425 586 A N 3.568 126.358 122.820 -0.050 0.000 1.940 586 A HA -0.223 4.098 4.320 0.002 0.000 0.221 586 A C 1.951 179.431 177.584 -0.174 0.000 1.190 586 A CA 2.286 54.014 52.037 -0.515 0.000 0.647 586 A CB -0.836 17.750 19.000 -0.690 0.000 0.821 586 A HN 0.669 nan 8.150 nan 0.000 0.457 587 G N -1.252 107.506 108.800 -0.070 0.000 2.559 587 G HA2 0.122 4.083 3.960 0.002 0.000 0.216 587 G HA3 0.122 4.083 3.960 0.002 0.000 0.216 587 G C 1.105 176.026 174.900 0.036 0.000 1.126 587 G CA 0.869 45.959 45.100 -0.017 0.000 0.778 587 G HN 0.484 nan 8.290 nan 0.000 0.543 588 L N -1.176 120.094 121.223 0.078 0.000 2.906 588 L HA 0.387 4.728 4.340 0.002 0.000 0.255 588 L C 1.712 178.700 176.870 0.197 0.000 1.166 588 L CA -0.445 54.462 54.840 0.111 0.000 0.977 588 L CB 0.135 42.252 42.059 0.096 0.000 1.313 588 L HN 0.071 nan 8.230 nan 0.000 0.549 589 F N 1.885 121.868 119.950 0.055 0.000 2.146 589 F HA -0.123 4.406 4.527 0.002 0.000 0.298 589 F C 2.433 178.352 175.800 0.200 0.000 1.096 589 F CA 1.448 59.542 58.000 0.156 0.000 1.275 589 F CB 0.017 39.084 39.000 0.112 0.000 1.008 589 F HN 0.073 nan 8.300 nan 0.000 0.480 590 A N 0.247 123.156 122.820 0.149 0.000 1.883 590 A HA -0.128 4.193 4.320 0.002 0.000 0.217 590 A C 2.519 180.077 177.584 -0.045 0.000 1.186 590 A CA 1.903 53.947 52.037 0.011 0.000 0.624 590 A CB -1.817 17.200 19.000 0.030 0.000 0.822 590 A HN 0.489 nan 8.150 nan 0.000 0.444 591 G N -1.864 106.945 108.800 0.015 0.000 2.442 591 G HA2 -0.293 3.668 3.960 0.002 0.000 0.219 591 G HA3 -0.293 3.668 3.960 0.002 0.000 0.219 591 G C 1.414 176.317 174.900 0.004 0.000 1.141 591 G CA 1.125 46.230 45.100 0.007 0.000 0.763 591 G HN 0.744 nan 8.290 nan 0.000 0.554 592 W N 0.833 122.033 121.300 -0.166 0.000 2.388 592 W HA -0.006 4.655 4.660 0.002 0.000 0.294 592 W C 2.312 178.669 176.519 -0.270 0.000 1.212 592 W CA 1.299 58.531 57.345 -0.190 0.000 1.271 592 W CB -0.221 29.130 29.460 -0.182 0.000 1.126 592 W HN 0.022 nan 8.180 nan 0.000 0.535 593 V N 1.670 121.376 119.914 -0.346 0.000 2.295 593 V HA -0.346 3.775 4.120 0.002 0.000 0.246 593 V C 2.549 178.372 176.094 -0.451 0.000 1.049 593 V CA 2.471 64.436 62.300 -0.559 0.000 1.024 593 V CB -1.017 30.536 31.823 -0.450 0.000 0.648 593 V HN 0.255 nan 8.190 nan 0.000 0.447 594 K N -0.293 119.930 120.400 -0.295 0.000 2.063 594 K HA -0.281 4.040 4.320 0.002 0.000 0.208 594 K C 2.258 178.722 176.600 -0.226 0.000 1.048 594 K CA 2.118 58.273 56.287 -0.219 0.000 0.928 594 K CB -0.176 32.238 32.500 -0.143 0.000 0.713 594 K HN 0.555 nan 8.250 nan 0.000 0.442 595 Q N 0.304 119.948 119.800 -0.259 0.000 1.990 595 Q HA -0.158 4.183 4.340 0.002 0.000 0.200 595 Q C 2.143 177.962 176.000 -0.302 0.000 0.980 595 Q CA 1.467 57.129 55.803 -0.235 0.000 0.832 595 Q CB -0.121 28.500 28.738 -0.194 0.000 0.897 595 Q HN 0.371 nan 8.270 nan 0.000 0.427 596 I N 0.349 120.581 120.570 -0.562 0.000 2.454 596 I HA -0.198 3.973 4.170 0.002 0.000 0.254 596 I C 1.885 177.852 176.117 -0.250 0.000 1.156 596 I CA 0.875 61.859 61.300 -0.527 0.000 1.433 596 I CB -0.142 37.234 38.000 -1.040 0.000 1.082 596 I HN 0.076 nan 8.210 nan 0.000 0.432 597 V N 0.799 120.541 119.914 -0.287 0.000 2.255 597 V HA -0.266 3.855 4.120 0.002 0.000 0.243 597 V C 2.322 178.390 176.094 -0.043 0.000 1.038 597 V CA 2.084 64.290 62.300 -0.156 0.000 1.008 597 V CB -1.125 30.567 31.823 -0.219 0.000 0.645 597 V HN 0.553 nan 8.190 nan 0.000 0.449 598 N N 0.730 119.376 118.700 -0.090 0.000 2.091 598 N HA -0.242 4.499 4.740 0.002 0.000 0.193 598 N C 1.399 176.889 175.510 -0.032 0.000 1.021 598 N CA 2.184 55.200 53.050 -0.057 0.000 0.862 598 N CB -0.312 38.127 38.487 -0.078 0.000 1.018 598 N HN 0.466 nan 8.380 nan 0.000 0.429 599 D N -0.781 119.605 120.400 -0.024 0.000 2.123 599 D HA -0.151 4.490 4.640 0.002 0.000 0.196 599 D C 1.513 177.781 176.300 -0.052 0.000 0.992 599 D CA 0.817 54.817 54.000 -0.001 0.000 0.833 599 D CB -0.518 40.334 40.800 0.087 0.000 0.954 599 D HN 0.398 nan 8.370 nan 0.000 0.455 600 F N 0.849 120.745 119.950 -0.091 0.000 2.126 600 F HA -0.232 4.297 4.527 0.004 0.000 0.299 600 F C 2.080 177.676 175.800 -0.339 0.000 1.096 600 F CA 1.074 58.922 58.000 -0.253 0.000 1.255 600 F CB -0.049 38.951 39.000 -0.001 0.000 0.997 600 F HN -0.177 nan 8.300 nan 0.000 0.479 601 V N 0.704 120.668 119.914 0.084 0.000 2.427 601 V HA -0.300 3.821 4.120 0.002 0.000 0.248 601 V C 2.363 178.363 176.094 -0.156 0.000 1.051 601 V CA 1.954 64.265 62.300 0.019 0.000 1.048 601 V CB -0.556 31.298 31.823 0.052 0.000 0.666 601 V HN 0.381 nan 8.190 nan 0.000 0.456 602 I N -0.381 120.076 120.570 -0.189 0.000 2.142 602 I HA -0.178 3.993 4.170 0.002 0.000 0.240 602 I C 2.721 178.640 176.117 -0.330 0.000 1.078 602 I CA 1.340 62.520 61.300 -0.199 0.000 1.343 602 I CB -0.395 37.513 38.000 -0.155 0.000 1.046 602 I HN 0.310 nan 8.210 nan 0.000 0.405 603 E N 1.012 120.843 120.200 -0.614 0.000 2.038 603 E HA -0.243 4.108 4.350 0.002 0.000 0.195 603 E C 2.312 178.403 176.600 -0.848 0.000 1.000 603 E CA 1.644 57.461 56.400 -0.972 0.000 0.803 603 E CB -0.437 28.055 29.700 -2.014 0.000 0.750 603 E HN 0.505 nan 8.360 nan 0.000 0.448 604 A N 1.404 123.667 122.820 -0.928 0.000 1.978 604 A HA -0.190 4.131 4.320 0.002 0.000 0.220 604 A C 1.854 179.457 177.584 0.032 0.000 1.170 604 A CA 1.602 53.456 52.037 -0.305 0.000 0.636 604 A CB -0.830 18.023 19.000 -0.245 0.000 0.810 604 A HN 0.290 nan 8.150 nan 0.000 0.448 605 N N -0.803 117.854 118.700 -0.072 0.000 2.571 605 N HA -0.037 4.704 4.740 0.002 0.000 0.189 605 N C 1.079 176.585 175.510 -0.008 0.000 1.154 605 N CA 0.245 53.285 53.050 -0.016 0.000 0.907 605 N CB -0.040 38.420 38.487 -0.045 0.000 0.977 605 N HN 0.463 nan 8.380 nan 0.000 0.449 606 K N 0.450 120.869 120.400 0.032 0.000 2.555 606 K HA -0.015 4.306 4.320 0.002 0.000 0.193 606 K C 1.624 178.178 176.600 -0.077 0.000 1.032 606 K CA 0.525 56.818 56.287 0.010 0.000 1.004 606 K CB 0.128 32.672 32.500 0.072 0.000 0.804 606 K HN 0.200 nan 8.250 nan 0.000 0.496 607 S N 1.197 116.856 115.700 -0.068 0.000 2.555 607 S HA -0.093 4.378 4.470 0.002 0.000 0.230 607 S C 1.086 175.571 174.600 -0.191 0.000 0.978 607 S CA 0.883 58.936 58.200 -0.245 0.000 0.934 607 S CB -0.343 62.795 63.200 -0.102 0.000 0.766 607 S HN 0.374 nan 8.310 nan 0.000 0.533 608 N N 0.480 119.109 118.700 -0.118 0.000 2.238 608 N HA 0.095 4.836 4.740 0.002 0.000 0.222 608 N C -0.510 174.936 175.510 -0.106 0.000 1.133 608 N CA -0.215 52.778 53.050 -0.096 0.000 0.854 608 N CB -0.617 37.838 38.487 -0.053 0.000 1.041 608 N HN 0.049 nan 8.380 nan 0.000 0.510 609 T N 1.611 116.081 114.554 -0.139 0.000 2.934 609 T HA 0.094 4.445 4.350 0.002 0.000 0.306 609 T C 0.432 175.064 174.700 -0.114 0.000 1.042 609 T CA 0.339 62.367 62.100 -0.121 0.000 1.145 609 T CB 0.413 69.204 68.868 -0.130 0.000 0.982 609 T HN 0.189 nan 8.240 nan 0.000 0.544 610 M N 2.301 121.849 119.600 -0.087 0.000 2.528 610 M HA 0.386 4.867 4.480 0.002 0.000 0.318 610 M C 0.120 176.383 176.300 -0.061 0.000 1.195 610 M CA -0.557 54.701 55.300 -0.071 0.000 1.000 610 M CB 1.314 33.871 32.600 -0.072 0.000 1.615 610 M HN 0.451 nan 8.290 nan 0.000 0.469 611 D N 0.147 120.523 120.400 -0.041 0.000 3.078 611 D HA 0.160 4.801 4.640 0.002 0.000 0.363 611 D C 0.563 176.846 176.300 -0.028 0.000 1.391 611 D CA 0.013 53.997 54.000 -0.026 0.000 0.754 611 D CB 0.419 41.222 40.800 0.005 0.000 1.238 611 D HN 0.296 nan 8.370 nan 0.000 0.500 612 K N 0.250 120.620 120.400 -0.051 0.000 2.113 612 K HA -0.152 4.169 4.320 0.002 0.000 0.208 612 K C 1.792 178.351 176.600 -0.070 0.000 1.047 612 K CA 0.699 56.952 56.287 -0.057 0.000 0.928 612 K CB -0.087 32.366 32.500 -0.077 0.000 0.716 612 K HN 0.368 nan 8.250 nan 0.000 0.446 613 I N 0.962 121.487 120.570 -0.074 0.000 2.361 613 I HA -0.184 3.987 4.170 0.002 0.000 0.251 613 I C 1.513 177.565 176.117 -0.109 0.000 1.133 613 I CA 1.287 62.528 61.300 -0.098 0.000 1.413 613 I CB -0.289 37.682 38.000 -0.048 0.000 1.073 613 I HN 0.074 nan 8.210 nan 0.000 0.424 614 A N -0.618 122.171 122.820 -0.051 0.000 2.370 614 A HA 0.137 4.458 4.320 0.002 0.000 0.238 614 A C 0.568 178.130 177.584 -0.036 0.000 1.289 614 A CA 0.357 52.376 52.037 -0.031 0.000 0.885 614 A CB -0.587 18.417 19.000 0.007 0.000 0.961 614 A HN 0.515 nan 8.150 nan 0.000 0.499 615 D N -0.704 119.666 120.400 -0.050 0.000 2.723 615 D HA -0.152 4.489 4.640 0.002 0.000 0.236 615 D C -0.449 175.846 176.300 -0.009 0.000 1.138 615 D CA 1.131 55.109 54.000 -0.037 0.000 0.676 615 D CB -1.174 39.591 40.800 -0.058 0.000 1.069 615 D HN 0.574 nan 8.370 nan 0.000 0.430 616 I N 0.499 121.080 120.570 0.017 0.000 2.476 616 I HA 0.054 4.225 4.170 0.002 0.000 0.281 616 I C 1.266 177.413 176.117 0.050 0.000 1.040 616 I CA -0.462 60.882 61.300 0.072 0.000 1.094 616 I CB 1.796 39.886 38.000 0.151 0.000 1.219 616 I HN -0.268 nan 8.210 nan 0.000 0.450 617 S N 4.754 120.480 115.700 0.042 0.000 2.447 617 S HA 0.016 4.487 4.470 0.002 0.000 0.233 617 S C 0.235 174.844 174.600 0.016 0.000 1.006 617 S CA 0.782 58.992 58.200 0.017 0.000 0.957 617 S CB -0.084 63.122 63.200 0.010 0.000 0.773 617 S HN 0.487 nan 8.310 nan 0.000 0.507 618 L N 0.151 121.406 121.223 0.053 0.000 2.482 618 L HA 0.758 5.099 4.340 0.002 0.000 0.263 618 L C -1.672 175.152 176.870 -0.076 0.000 0.957 618 L CA -0.667 54.174 54.840 0.001 0.000 0.836 618 L CB 2.027 44.123 42.059 0.061 0.000 1.324 618 L HN 0.036 nan 8.230 nan 0.000 0.406 619 I N 4.372 124.745 120.570 -0.329 0.000 2.680 619 I HA 0.545 4.716 4.170 0.002 0.000 0.291 619 I C -1.479 174.173 176.117 -0.775 0.000 1.244 619 I CA -0.298 60.604 61.300 -0.664 0.000 1.042 619 I CB 2.368 40.192 38.000 -0.294 0.000 1.277 619 I HN 0.292 nan 8.210 nan 0.000 0.423 620 V N 10.801 129.984 119.914 -1.218 0.000 2.270 620 V HA 0.329 4.450 4.120 0.002 0.000 0.263 620 V C -1.391 174.308 176.094 -0.659 0.000 1.066 620 V CA -0.967 60.787 62.300 -0.910 0.000 0.857 620 V CB 0.537 31.804 31.823 -0.926 0.000 1.099 620 V HN 0.706 nan 8.190 nan 0.000 0.476 621 P HA -0.199 nan 4.420 nan 0.000 0.216 621 P C 1.125 178.358 177.300 -0.112 0.000 1.150 621 P CA 1.707 64.731 63.100 -0.127 0.000 0.843 621 P CB 0.049 31.718 31.700 -0.050 0.000 0.787 622 Y N -2.310 117.932 120.300 -0.097 0.000 2.490 622 Y HA 0.265 4.815 4.550 0.001 0.000 0.281 622 Y C 2.218 177.905 175.900 -0.355 0.000 1.174 622 Y CA -0.894 57.151 58.100 -0.091 0.000 1.295 622 Y CB -1.780 36.780 38.460 0.166 0.000 1.062 622 Y HN -0.190 nan 8.280 nan 0.000 0.522 623 I N 1.259 121.530 120.570 -0.499 0.000 2.194 623 I HA -0.271 3.900 4.170 0.002 0.000 0.246 623 I C 2.626 178.390 176.117 -0.589 0.000 1.093 623 I CA 1.819 62.784 61.300 -0.559 0.000 1.355 623 I CB -0.729 36.899 38.000 -0.619 0.000 1.046 623 I HN 0.515 nan 8.210 nan 0.000 0.413 624 G N 0.601 108.910 108.800 -0.818 0.000 2.422 624 G HA2 -0.154 3.807 3.960 0.002 0.000 0.218 624 G HA3 -0.154 3.807 3.960 0.002 0.000 0.218 624 G C 1.710 176.490 174.900 -0.200 0.000 1.140 624 G CA 0.265 45.084 45.100 -0.468 0.000 0.775 624 G HN 0.273 nan 8.290 nan 0.000 0.545 625 L N 0.348 121.535 121.223 -0.059 0.000 2.156 625 L HA 0.076 4.417 4.340 0.002 0.000 0.208 625 L C 3.275 180.327 176.870 0.304 0.000 1.095 625 L CA 0.737 55.695 54.840 0.196 0.000 0.770 625 L CB -0.172 42.072 42.059 0.309 0.000 0.914 625 L HN 0.316 nan 8.230 nan 0.000 0.439 626 A N -0.199 122.560 122.820 -0.101 0.000 1.897 626 A HA -0.035 4.286 4.320 0.002 0.000 0.215 626 A C 2.040 179.632 177.584 0.013 0.000 1.181 626 A CA 1.192 53.032 52.037 -0.328 0.000 0.620 626 A CB -0.167 18.010 19.000 -1.372 0.000 0.821 626 A HN 0.381 nan 8.150 nan 0.000 0.443 627 L N -2.751 118.380 121.223 -0.154 0.000 2.609 627 L HA 0.191 4.532 4.340 0.002 0.000 0.230 627 L C 0.833 177.440 176.870 -0.437 0.000 1.064 627 L CA 0.533 55.273 54.840 -0.167 0.000 0.873 627 L CB -0.105 41.849 42.059 -0.175 0.000 1.139 627 L HN 0.486 nan 8.230 nan 0.000 0.490 628 N N 0.672 119.032 118.700 -0.566 0.000 2.727 628 N HA -0.194 4.547 4.740 0.002 0.000 0.249 628 N C -0.376 174.868 175.510 -0.444 0.000 1.048 628 N CA 0.513 53.140 53.050 -0.706 0.000 0.714 628 N CB -1.031 36.520 38.487 -1.560 0.000 0.959 628 N HN 0.161 nan 8.380 nan 0.000 0.544 629 V N -0.151 119.589 119.914 -0.290 0.000 3.083 629 V HA 0.705 4.827 4.120 0.002 0.000 0.306 629 V C 1.660 177.649 176.094 -0.175 0.000 1.077 629 V CA 0.981 63.153 62.300 -0.214 0.000 1.073 629 V CB 0.795 32.547 31.823 -0.117 0.000 1.081 629 V HN 0.967 nan 8.190 nan 0.000 0.474 630 G N 4.047 112.709 108.800 -0.230 0.000 2.547 630 G HA2 -0.306 3.655 3.960 0.002 0.000 0.271 630 G HA3 -0.306 3.655 3.960 0.002 0.000 0.271 630 G C 0.144 174.962 174.900 -0.136 0.000 1.209 630 G CA 0.412 45.400 45.100 -0.186 0.000 0.959 630 G HN 1.201 nan 8.290 nan 0.000 0.563 631 N N 2.787 121.447 118.700 -0.066 0.000 2.508 631 N HA 0.212 4.953 4.740 0.002 0.000 0.253 631 N C 0.603 176.100 175.510 -0.021 0.000 1.145 631 N CA 0.631 53.657 53.050 -0.040 0.000 0.973 631 N CB -0.567 37.909 38.487 -0.017 0.000 1.305 631 N HN 0.530 nan 8.380 nan 0.000 0.506 632 E N 0.881 121.050 120.200 -0.052 0.000 2.038 632 E HA -0.239 4.112 4.350 0.002 0.000 0.181 632 E C 0.452 177.038 176.600 -0.023 0.000 1.383 632 E CA 0.869 57.234 56.400 -0.059 0.000 0.677 632 E CB -1.258 28.427 29.700 -0.025 0.000 1.051 632 E HN 0.729 nan 8.360 nan 0.000 0.317 633 T N -3.442 111.100 114.554 -0.020 0.000 3.113 633 T HA 0.128 4.479 4.350 0.002 0.000 0.263 633 T C 1.673 176.405 174.700 0.054 0.000 1.143 633 T CA 0.667 62.827 62.100 0.100 0.000 1.090 633 T CB 0.227 69.198 68.868 0.172 0.000 0.922 633 T HN 0.335 nan 8.240 nan 0.000 0.521 634 A N 1.121 123.892 122.820 -0.082 0.000 2.169 634 A HA 0.217 4.538 4.320 0.002 0.000 0.212 634 A C 1.059 178.685 177.584 0.069 0.000 1.153 634 A CA 0.109 52.121 52.037 -0.041 0.000 0.756 634 A CB -0.134 18.748 19.000 -0.196 0.000 0.813 634 A HN 0.524 nan 8.150 nan 0.000 0.471 635 K N -0.336 120.101 120.400 0.061 0.000 2.110 635 K HA 0.499 4.820 4.320 0.002 0.000 0.263 635 K C 0.712 177.373 176.600 0.101 0.000 0.975 635 K CA 0.130 56.468 56.287 0.084 0.000 0.895 635 K CB 1.177 33.713 32.500 0.060 0.000 1.060 635 K HN 0.440 nan 8.250 nan 0.000 0.448 636 G N 2.110 110.970 108.800 0.101 0.000 2.645 636 G HA2 -0.289 3.672 3.960 0.002 0.000 0.246 636 G HA3 -0.289 3.672 3.960 0.002 0.000 0.246 636 G C -0.627 174.346 174.900 0.122 0.000 1.322 636 G CA -0.621 44.537 45.100 0.096 0.000 0.898 636 G HN 0.703 nan 8.290 nan 0.000 0.573 637 N N 0.385 119.150 118.700 0.108 0.000 2.414 637 N HA 0.343 5.084 4.740 0.002 0.000 0.256 637 N C 1.179 176.774 175.510 0.141 0.000 1.029 637 N CA -0.096 53.029 53.050 0.125 0.000 0.948 637 N CB 0.708 39.249 38.487 0.089 0.000 1.102 637 N HN 0.487 nan 8.380 nan 0.000 0.496 638 F N 4.066 124.050 119.950 0.057 0.000 2.095 638 F HA -0.145 4.379 4.527 -0.005 0.000 0.298 638 F C 2.210 178.064 175.800 0.090 0.000 1.104 638 F CA 1.663 59.698 58.000 0.059 0.000 1.232 638 F CB 0.006 39.017 39.000 0.017 0.000 0.987 638 F HN 0.674 nan 8.300 nan 0.000 0.475 639 E N -0.003 120.205 120.200 0.013 0.000 2.070 639 E HA -0.345 4.006 4.350 0.002 0.000 0.197 639 E C 2.097 178.675 176.600 -0.037 0.000 1.004 639 E CA 1.622 57.997 56.400 -0.041 0.000 0.805 639 E CB -0.430 29.288 29.700 0.030 0.000 0.744 639 E HN 0.481 nan 8.360 nan 0.000 0.451 640 N N 0.281 118.976 118.700 -0.010 0.000 2.069 640 N HA -0.182 4.559 4.740 0.002 0.000 0.191 640 N C 1.678 177.162 175.510 -0.043 0.000 1.031 640 N CA 2.096 55.144 53.050 -0.004 0.000 0.852 640 N CB -0.391 38.108 38.487 0.020 0.000 1.018 640 N HN 0.219 nan 8.380 nan 0.000 0.423 641 A N -0.572 122.204 122.820 -0.074 0.000 1.940 641 A HA -0.132 4.189 4.320 0.002 0.000 0.219 641 A C 2.194 179.693 177.584 -0.141 0.000 1.176 641 A CA 1.370 53.349 52.037 -0.096 0.000 0.631 641 A CB -1.202 17.751 19.000 -0.078 0.000 0.814 641 A HN 0.507 nan 8.150 nan 0.000 0.446 642 F N 0.861 120.555 119.950 -0.425 0.000 2.206 642 F HA -0.071 4.447 4.527 -0.014 0.000 0.298 642 F C 2.176 177.877 175.800 -0.164 0.000 1.090 642 F CA 1.811 59.593 58.000 -0.363 0.000 1.323 642 F CB -0.232 38.458 39.000 -0.517 0.000 1.028 642 F HN 0.373 nan 8.300 nan 0.000 0.492 643 E N 0.323 120.467 120.200 -0.092 0.000 2.077 643 E HA -0.222 4.129 4.350 0.002 0.000 0.193 643 E C 2.344 178.848 176.600 -0.161 0.000 0.989 643 E CA 1.751 58.084 56.400 -0.111 0.000 0.800 643 E CB -0.236 29.453 29.700 -0.019 0.000 0.746 643 E HN 0.473 nan 8.360 nan 0.000 0.452 644 I N 0.608 121.099 120.570 -0.132 0.000 2.162 644 I HA -0.184 3.987 4.170 0.002 0.000 0.238 644 I C 2.274 178.300 176.117 -0.150 0.000 1.076 644 I CA 1.200 62.432 61.300 -0.114 0.000 1.353 644 I CB -0.084 37.869 38.000 -0.078 0.000 1.063 644 I HN 0.050 nan 8.210 nan 0.000 0.408 645 A N -0.121 122.596 122.820 -0.171 0.000 2.303 645 A HA 0.474 4.795 4.320 0.002 0.000 0.217 645 A C 1.232 178.676 177.584 -0.233 0.000 1.205 645 A CA 0.551 52.492 52.037 -0.159 0.000 0.875 645 A CB -0.355 18.592 19.000 -0.088 0.000 0.910 645 A HN 0.530 nan 8.150 nan 0.000 0.501 646 G N -0.922 107.597 108.800 -0.469 0.000 2.601 646 G HA2 0.045 4.007 3.960 0.002 0.000 0.252 646 G HA3 0.045 4.007 3.960 0.002 0.000 0.252 646 G C 1.204 175.939 174.900 -0.275 0.000 1.294 646 G CA 0.503 45.149 45.100 -0.756 0.000 0.912 646 G HN 1.441 nan 8.290 nan 0.000 0.574 647 A N -1.083 121.736 122.820 -0.002 0.000 1.986 647 A HA 0.035 4.357 4.320 0.002 0.000 0.220 647 A C 2.759 180.573 177.584 0.383 0.000 1.171 647 A CA 3.132 55.405 52.037 0.393 0.000 0.640 647 A CB -0.860 18.369 19.000 0.381 0.000 0.811 647 A HN 1.655 nan 8.150 nan 0.000 0.451 648 S N -0.067 115.796 115.700 0.271 0.000 2.420 648 S HA -0.213 4.258 4.470 0.002 0.000 0.237 648 S C 1.722 176.388 174.600 0.110 0.000 1.023 648 S CA 1.582 59.910 58.200 0.213 0.000 0.991 648 S CB -0.780 62.520 63.200 0.167 0.000 0.792 648 S HN 0.842 nan 8.310 nan 0.000 0.488 649 I N -1.605 119.050 120.570 0.141 0.000 2.761 649 I HA 0.037 4.208 4.170 0.002 0.000 0.261 649 I C 1.705 177.917 176.117 0.159 0.000 1.198 649 I CA 1.140 62.515 61.300 0.126 0.000 1.482 649 I CB -0.311 37.776 38.000 0.144 0.000 1.100 649 I HN 0.150 nan 8.210 nan 0.000 0.445 650 L N 1.010 122.382 121.223 0.247 0.000 2.341 650 L HA 0.192 4.533 4.340 0.002 0.000 0.214 650 L C 1.053 177.923 176.870 -0.000 0.000 1.115 650 L CA 0.114 55.088 54.840 0.223 0.000 0.820 650 L CB -0.051 42.270 42.059 0.436 0.000 0.944 650 L HN 0.215 nan 8.230 nan 0.000 0.452 651 L N 0.664 121.809 121.223 -0.130 0.000 2.453 651 L HA -0.066 4.275 4.340 0.002 0.000 0.272 651 L C 1.439 178.085 176.870 -0.373 0.000 1.182 651 L CA -0.073 54.550 54.840 -0.360 0.000 0.858 651 L CB 0.688 42.493 42.059 -0.423 0.000 1.120 651 L HN 0.030 nan 8.230 nan 0.000 0.474 652 E N 2.446 122.294 120.200 -0.587 0.000 2.274 652 E HA -0.041 4.310 4.350 0.002 0.000 0.194 652 E C -0.616 175.610 176.600 -0.623 0.000 0.996 652 E CA 0.724 56.587 56.400 -0.896 0.000 0.840 652 E CB 0.262 28.815 29.700 -1.910 0.000 0.772 652 E HN 0.385 nan 8.360 nan 0.000 0.491 653 F N -0.292 119.351 119.950 -0.513 0.000 2.635 653 F HA 0.353 4.884 4.527 0.006 0.000 0.314 653 F C -1.612 174.077 175.800 -0.185 0.000 1.119 653 F CA -1.196 56.664 58.000 -0.232 0.000 1.000 653 F CB 1.085 40.069 39.000 -0.027 0.000 1.278 653 F HN -0.314 nan 8.300 nan 0.000 0.446 654 I N 6.559 126.646 120.570 -0.804 0.000 2.297 654 I HA 0.298 4.469 4.170 0.002 0.000 0.291 654 I C -2.123 173.532 176.117 -0.770 0.000 1.033 654 I CA -2.058 58.907 61.300 -0.558 0.000 1.253 654 I CB 0.545 38.350 38.000 -0.325 0.000 1.396 654 I HN 0.407 nan 8.210 nan 0.000 0.476 655 P HA 0.103 nan 4.420 nan 0.000 0.271 655 P C -0.416 176.834 177.300 -0.083 0.000 1.238 655 P CA -0.147 62.912 63.100 -0.068 0.000 0.794 655 P CB 0.709 32.458 31.700 0.082 0.000 0.959 656 E N 0.509 120.724 120.200 0.025 0.000 2.149 656 E HA 0.258 4.609 4.350 0.002 0.000 0.255 656 E C -0.462 176.153 176.600 0.026 0.000 0.888 656 E CA -0.424 55.982 56.400 0.011 0.000 0.742 656 E CB 0.348 30.073 29.700 0.042 0.000 1.164 656 E HN 0.309 nan 8.360 nan 0.000 0.422 657 L N 2.671 123.888 121.223 -0.010 0.000 2.464 657 L HA 0.196 4.537 4.340 0.002 0.000 0.264 657 L C 0.044 176.891 176.870 -0.039 0.000 1.199 657 L CA -0.487 54.325 54.840 -0.046 0.000 0.818 657 L CB 0.152 42.168 42.059 -0.070 0.000 1.102 657 L HN 0.368 nan 8.230 nan 0.000 0.473 658 L N 3.652 124.831 121.223 -0.073 0.000 2.277 658 L HA 0.459 4.800 4.340 0.002 0.000 0.284 658 L C -0.533 176.293 176.870 -0.072 0.000 1.028 658 L CA 0.404 55.225 54.840 -0.032 0.000 0.835 658 L CB 0.313 42.390 42.059 0.029 0.000 1.215 658 L HN 0.365 nan 8.230 nan 0.000 0.425 659 I N 7.615 128.148 120.570 -0.062 0.000 2.782 659 I HA 0.289 4.461 4.170 0.002 0.000 0.279 659 I C -2.125 173.951 176.117 -0.068 0.000 1.247 659 I CA -1.365 59.884 61.300 -0.085 0.000 1.062 659 I CB 1.054 38.998 38.000 -0.093 0.000 1.421 659 I HN 0.481 nan 8.210 nan 0.000 0.558 660 P HA 0.077 nan 4.420 nan 0.000 0.269 660 P C -0.113 177.153 177.300 -0.057 0.000 1.215 660 P CA -0.059 63.015 63.100 -0.044 0.000 0.780 660 P CB 1.449 33.129 31.700 -0.034 0.000 0.898 661 V N 3.409 123.306 119.914 -0.029 0.000 2.439 661 V HA -0.024 4.097 4.120 0.002 0.000 0.271 661 V C 0.917 177.004 176.094 -0.012 0.000 1.040 661 V CA -0.431 61.861 62.300 -0.015 0.000 1.002 661 V CB 0.523 32.353 31.823 0.013 0.000 1.000 661 V HN 0.286 nan 8.190 nan 0.000 0.477 662 V N 5.824 125.710 119.914 -0.048 0.000 2.539 662 V HA 0.076 4.197 4.120 0.002 0.000 0.300 662 V C 1.466 177.608 176.094 0.080 0.000 1.019 662 V CA 0.674 62.921 62.300 -0.088 0.000 1.160 662 V CB -0.135 31.454 31.823 -0.389 0.000 0.901 662 V HN 1.043 nan 8.190 nan 0.000 0.481 663 G N 4.014 112.864 108.800 0.084 0.000 2.720 663 G HA2 0.387 4.349 3.960 0.002 0.000 0.237 663 G HA3 0.387 4.349 3.960 0.002 0.000 0.237 663 G C 0.432 175.509 174.900 0.295 0.000 1.239 663 G CA 0.094 45.285 45.100 0.150 0.000 0.847 663 G HN 1.245 nan 8.290 nan 0.000 0.593 664 A N 0.051 123.024 122.820 0.256 0.000 2.327 664 A HA 0.628 4.949 4.320 0.002 0.000 0.255 664 A C -0.692 177.194 177.584 0.503 0.000 1.099 664 A CA -0.114 52.109 52.037 0.310 0.000 0.801 664 A CB 0.321 19.424 19.000 0.173 0.000 1.062 664 A HN 0.445 nan 8.150 nan 0.000 0.496 665 F N -0.623 119.379 119.950 0.087 0.000 2.450 665 F HA 0.525 5.053 4.527 0.002 0.000 0.332 665 F C -0.054 175.755 175.800 0.015 0.000 1.093 665 F CA -0.894 57.142 58.000 0.060 0.000 1.003 665 F CB 1.694 40.727 39.000 0.056 0.000 1.151 665 F HN 0.273 nan 8.300 nan 0.000 0.474 666 L N 5.417 126.684 121.223 0.074 0.000 2.324 666 L HA 0.416 4.757 4.340 0.002 0.000 0.274 666 L C -0.878 175.981 176.870 -0.019 0.000 1.012 666 L CA -0.372 54.484 54.840 0.026 0.000 0.859 666 L CB 0.881 42.939 42.059 -0.001 0.000 1.224 666 L HN 0.384 nan 8.230 nan 0.000 0.429 667 L N 3.179 124.383 121.223 -0.031 0.000 2.290 667 L HA 0.312 4.653 4.340 0.002 0.000 0.284 667 L C 0.464 177.318 176.870 -0.027 0.000 1.078 667 L CA -0.103 54.657 54.840 -0.134 0.000 0.815 667 L CB 1.144 42.916 42.059 -0.479 0.000 1.162 667 L HN 0.561 nan 8.230 nan 0.000 0.435 668 E N 2.090 122.287 120.200 -0.004 0.000 2.229 668 E HA 0.219 4.570 4.350 0.002 0.000 0.283 668 E C -0.801 175.752 176.600 -0.078 0.000 1.030 668 E CA -0.362 55.993 56.400 -0.075 0.000 0.836 668 E CB 1.006 30.616 29.700 -0.150 0.000 1.068 668 E HN 0.539 nan 8.360 nan 0.000 0.401 669 S N 3.343 118.982 115.700 -0.102 0.000 2.537 669 S HA 0.264 4.735 4.470 0.002 0.000 0.275 669 S C -1.116 173.243 174.600 -0.402 0.000 1.272 669 S CA -0.392 57.760 58.200 -0.080 0.000 1.050 669 S CB 0.344 63.494 63.200 -0.083 0.000 0.961 669 S HN 0.384 nan 8.310 nan 0.000 0.496 670 Y N 2.751 122.988 120.300 -0.105 0.000 2.805 670 Y HA 0.355 4.906 4.550 0.002 0.000 0.339 670 Y C 0.641 176.371 175.900 -0.283 0.000 1.012 670 Y CA -1.132 56.873 58.100 -0.158 0.000 1.262 670 Y CB -0.183 38.196 38.460 -0.135 0.000 1.100 670 Y HN 0.573 nan 8.280 nan 0.000 0.559 671 I N -0.404 120.005 120.570 -0.269 0.000 2.826 671 I HA 0.016 4.187 4.170 0.002 0.000 0.295 671 I C -0.146 175.857 176.117 -0.192 0.000 1.213 671 I CA 0.002 61.004 61.300 -0.497 0.000 1.436 671 I CB 0.445 38.281 38.000 -0.274 0.000 1.348 671 I HN 0.545 nan 8.210 nan 0.000 0.570 672 D N 3.243 123.632 120.400 -0.017 0.000 2.927 672 D HA -0.227 4.414 4.640 0.002 0.000 0.236 672 D C -0.747 175.617 176.300 0.106 0.000 1.163 672 D CA 1.001 55.157 54.000 0.260 0.000 0.801 672 D CB -0.991 39.925 40.800 0.193 0.000 0.975 672 D HN 0.834 nan 8.370 nan 0.000 0.413 673 N N 0.472 119.230 118.700 0.097 0.000 2.839 673 N HA 0.037 4.778 4.740 0.002 0.000 0.258 673 N C 0.345 175.885 175.510 0.051 0.000 1.150 673 N CA -0.497 52.576 53.050 0.037 0.000 0.957 673 N CB 1.284 39.770 38.487 -0.001 0.000 1.560 673 N HN 0.069 nan 8.380 nan 0.000 0.588 674 K N 2.235 122.664 120.400 0.048 0.000 2.116 674 K HA 0.074 4.395 4.320 0.002 0.000 0.203 674 K C 0.847 177.469 176.600 0.037 0.000 1.052 674 K CA 1.151 57.474 56.287 0.060 0.000 0.952 674 K CB 0.357 32.892 32.500 0.058 0.000 0.729 674 K HN 0.377 nan 8.250 nan 0.000 0.446 675 N N 0.848 119.546 118.700 -0.005 0.000 2.085 675 N HA -0.080 4.661 4.740 0.002 0.000 0.191 675 N C 1.246 176.714 175.510 -0.071 0.000 1.058 675 N CA 1.260 54.298 53.050 -0.019 0.000 0.849 675 N CB -0.067 38.404 38.487 -0.027 0.000 1.038 675 N HN 0.013 nan 8.380 nan 0.000 0.434 676 K N 0.274 120.519 120.400 -0.258 0.000 2.293 676 K HA -0.127 4.194 4.320 0.002 0.000 0.204 676 K C 1.595 178.013 176.600 -0.303 0.000 1.045 676 K CA 0.867 56.794 56.287 -0.601 0.000 0.933 676 K CB -0.225 31.349 32.500 -1.544 0.000 0.736 676 K HN 0.299 nan 8.250 nan 0.000 0.463 677 I N 0.122 120.685 120.570 -0.011 0.000 2.429 677 I HA -0.178 3.993 4.170 0.002 0.000 0.247 677 I C 2.140 178.402 176.117 0.242 0.000 1.099 677 I CA 0.704 62.147 61.300 0.238 0.000 1.422 677 I CB -0.103 37.999 38.000 0.171 0.000 1.112 677 I HN 0.056 nan 8.210 nan 0.000 0.430 678 I N 1.135 121.791 120.570 0.144 0.000 2.208 678 I HA -0.305 3.866 4.170 0.002 0.000 0.245 678 I C 2.467 178.653 176.117 0.115 0.000 1.097 678 I CA 1.517 62.895 61.300 0.130 0.000 1.363 678 I CB -0.379 37.680 38.000 0.099 0.000 1.051 678 I HN 0.205 nan 8.210 nan 0.000 0.413 679 K N 0.416 120.876 120.400 0.099 0.000 1.991 679 K HA -0.162 4.159 4.320 0.002 0.000 0.212 679 K C 2.033 178.698 176.600 0.109 0.000 1.049 679 K CA 2.069 58.414 56.287 0.096 0.000 0.932 679 K CB -0.629 31.939 32.500 0.112 0.000 0.717 679 K HN 0.245 nan 8.250 nan 0.000 0.441 680 T N 1.874 116.518 114.554 0.151 0.000 2.802 680 T HA -0.168 4.183 4.350 0.002 0.000 0.269 680 T C 1.872 176.594 174.700 0.036 0.000 1.062 680 T CA 1.276 63.451 62.100 0.125 0.000 1.133 680 T CB -0.257 68.727 68.868 0.193 0.000 0.852 680 T HN 0.165 nan 8.240 nan 0.000 0.485 681 I N 0.901 121.516 120.570 0.075 0.000 2.141 681 I HA -0.116 4.055 4.170 0.002 0.000 0.236 681 I C 2.435 178.584 176.117 0.053 0.000 1.071 681 I CA 1.168 62.499 61.300 0.053 0.000 1.345 681 I CB -0.337 37.728 38.000 0.108 0.000 1.066 681 I HN 0.119 nan 8.210 nan 0.000 0.406 682 D N 1.107 121.542 120.400 0.058 0.000 2.133 682 D HA -0.203 4.438 4.640 0.002 0.000 0.195 682 D C 1.762 178.102 176.300 0.066 0.000 0.997 682 D CA 1.582 55.612 54.000 0.050 0.000 0.840 682 D CB -0.636 40.192 40.800 0.047 0.000 0.947 682 D HN 0.501 nan 8.370 nan 0.000 0.452 683 N N 0.643 119.386 118.700 0.072 0.000 2.244 683 N HA -0.090 4.651 4.740 0.002 0.000 0.183 683 N C 1.870 177.460 175.510 0.133 0.000 1.016 683 N CA 0.766 53.866 53.050 0.082 0.000 0.866 683 N CB 0.023 38.545 38.487 0.058 0.000 0.980 683 N HN 0.087 nan 8.380 nan 0.000 0.430 684 A N 1.209 124.121 122.820 0.154 0.000 2.014 684 A HA -0.004 4.317 4.320 0.002 0.000 0.218 684 A C 2.139 179.894 177.584 0.285 0.000 1.163 684 A CA 0.688 52.911 52.037 0.309 0.000 0.652 684 A CB -0.391 18.766 19.000 0.262 0.000 0.808 684 A HN 0.145 nan 8.150 nan 0.000 0.449 685 L N -0.181 121.131 121.223 0.148 0.000 2.027 685 L HA -0.144 4.197 4.340 0.002 0.000 0.206 685 L C 2.998 179.946 176.870 0.131 0.000 1.074 685 L CA 1.869 56.769 54.840 0.100 0.000 0.745 685 L CB -0.855 41.231 42.059 0.045 0.000 0.898 685 L HN 0.605 nan 8.230 nan 0.000 0.433 686 T N -2.742 111.891 114.554 0.132 0.000 2.904 686 T HA -0.180 4.171 4.350 0.002 0.000 0.267 686 T C 1.803 176.632 174.700 0.216 0.000 1.059 686 T CA 0.983 63.166 62.100 0.139 0.000 1.137 686 T CB -0.146 68.784 68.868 0.103 0.000 0.879 686 T HN -0.012 nan 8.240 nan 0.000 0.467 687 K N 1.810 122.368 120.400 0.263 0.000 2.097 687 K HA 0.021 4.342 4.320 0.002 0.000 0.205 687 K C 2.508 179.360 176.600 0.421 0.000 1.050 687 K CA 0.835 57.320 56.287 0.329 0.000 0.938 687 K CB -0.447 32.268 32.500 0.359 0.000 0.718 687 K HN 0.253 nan 8.250 nan 0.000 0.442 688 R N 0.992 121.748 120.500 0.427 0.000 2.083 688 R HA -0.126 4.216 4.340 0.002 0.000 0.237 688 R C 1.416 177.958 176.300 0.402 0.000 1.137 688 R CA 1.883 58.246 56.100 0.439 0.000 0.951 688 R CB -0.773 29.724 30.300 0.329 0.000 0.851 688 R HN 0.353 nan 8.270 nan 0.000 0.434 689 N N 0.994 119.862 118.700 0.282 0.000 2.205 689 N HA -0.196 4.545 4.740 0.002 0.000 0.186 689 N C 1.665 177.375 175.510 0.333 0.000 1.015 689 N CA 1.218 54.418 53.050 0.250 0.000 0.862 689 N CB -0.170 38.414 38.487 0.162 0.000 0.986 689 N HN 0.508 nan 8.380 nan 0.000 0.429 690 E N 0.992 121.375 120.200 0.306 0.000 2.152 690 E HA -0.099 4.252 4.350 0.002 0.000 0.192 690 E C 1.366 177.995 176.600 0.047 0.000 0.983 690 E CA 0.686 57.189 56.400 0.172 0.000 0.818 690 E CB 0.281 30.026 29.700 0.075 0.000 0.758 690 E HN 0.091 nan 8.360 nan 0.000 0.467 691 K N -0.059 120.383 120.400 0.071 0.000 2.097 691 K HA -0.152 4.169 4.320 0.002 0.000 0.205 691 K C 1.675 178.166 176.600 -0.181 0.000 1.050 691 K CA 0.872 57.084 56.287 -0.126 0.000 0.938 691 K CB -0.405 31.876 32.500 -0.364 0.000 0.718 691 K HN 0.271 nan 8.250 nan 0.000 0.442 692 W N 1.330 122.522 121.300 -0.181 0.000 2.380 692 W HA -0.107 4.555 4.660 0.002 0.000 0.317 692 W C 2.860 179.203 176.519 -0.293 0.000 1.196 692 W CA 1.681 58.856 57.345 -0.283 0.000 1.307 692 W CB -1.035 28.325 29.460 -0.167 0.000 1.157 692 W HN 0.035 nan 8.180 nan 0.000 0.483 693 S N 0.041 115.877 115.700 0.228 0.000 2.359 693 S HA -0.236 4.235 4.470 0.002 0.000 0.224 693 S C 1.497 176.278 174.600 0.302 0.000 1.035 693 S CA 2.181 60.615 58.200 0.390 0.000 1.018 693 S CB -0.592 62.862 63.200 0.424 0.000 0.876 693 S HN 0.144 nan 8.310 nan 0.000 0.448 694 D N 0.510 120.952 120.400 0.070 0.000 2.144 694 D HA -0.085 4.556 4.640 0.002 0.000 0.199 694 D C 1.834 178.096 176.300 -0.062 0.000 0.984 694 D CA 1.183 55.183 54.000 -0.000 0.000 0.834 694 D CB -0.315 40.431 40.800 -0.089 0.000 0.955 694 D HN 0.401 nan 8.370 nan 0.000 0.465 695 M N -0.917 118.577 119.600 -0.177 0.000 2.229 695 M HA -0.100 4.381 4.480 0.002 0.000 0.264 695 M C 1.506 177.712 176.300 -0.156 0.000 1.063 695 M CA 1.432 56.589 55.300 -0.238 0.000 1.114 695 M CB -0.433 31.912 32.600 -0.425 0.000 1.387 695 M HN 0.169 nan 8.290 nan 0.000 0.420 696 Y N -0.965 119.214 120.300 -0.201 0.000 2.242 696 Y HA -0.064 4.487 4.550 0.002 0.000 0.291 696 Y C 2.348 177.842 175.900 -0.677 0.000 1.137 696 Y CA 0.397 58.271 58.100 -0.377 0.000 1.181 696 Y CB -0.639 37.749 38.460 -0.120 0.000 0.989 696 Y HN 0.407 nan 8.280 nan 0.000 0.527 697 G N 0.398 108.907 108.800 -0.485 0.000 2.440 697 G HA2 -0.301 3.660 3.960 0.002 0.000 0.218 697 G HA3 -0.301 3.660 3.960 0.002 0.000 0.218 697 G C 1.529 176.358 174.900 -0.118 0.000 1.154 697 G CA 1.019 45.928 45.100 -0.318 0.000 0.767 697 G HN 0.309 nan 8.290 nan 0.000 0.552 698 L N 0.651 121.818 121.223 -0.094 0.000 2.083 698 L HA 0.001 4.342 4.340 0.002 0.000 0.209 698 L C 2.489 179.262 176.870 -0.161 0.000 1.083 698 L CA 1.281 56.073 54.840 -0.081 0.000 0.752 698 L CB -0.321 41.687 42.059 -0.084 0.000 0.899 698 L HN 0.095 nan 8.230 nan 0.000 0.433 699 I N -0.933 119.530 120.570 -0.179 0.000 2.113 699 I HA -0.221 3.950 4.170 0.002 0.000 0.238 699 I C 2.570 178.620 176.117 -0.112 0.000 1.070 699 I CA 1.357 62.541 61.300 -0.194 0.000 1.332 699 I CB -1.358 36.482 38.000 -0.266 0.000 1.044 699 I HN 0.104 nan 8.210 nan 0.000 0.402 700 V N 1.620 121.472 119.914 -0.104 0.000 2.282 700 V HA -0.301 3.820 4.120 0.002 0.000 0.249 700 V C 2.854 179.058 176.094 0.183 0.000 1.057 700 V CA 1.969 64.338 62.300 0.116 0.000 1.032 700 V CB -1.336 30.561 31.823 0.124 0.000 0.645 700 V HN 0.486 nan 8.190 nan 0.000 0.447 701 A N -0.882 121.995 122.820 0.095 0.000 1.940 701 A HA -0.282 4.039 4.320 0.002 0.000 0.219 701 A C 2.199 179.843 177.584 0.100 0.000 1.176 701 A CA 1.987 54.114 52.037 0.150 0.000 0.631 701 A CB -0.414 18.712 19.000 0.210 0.000 0.814 701 A HN 0.672 nan 8.150 nan 0.000 0.446 702 Q N -2.305 117.412 119.800 -0.138 0.000 2.137 702 Q HA -0.163 4.179 4.340 0.002 0.000 0.198 702 Q C 1.935 177.937 176.000 0.003 0.000 0.960 702 Q CA 1.255 56.872 55.803 -0.310 0.000 0.847 702 Q CB -0.266 28.122 28.738 -0.583 0.000 0.915 702 Q HN 0.887 nan 8.270 nan 0.000 0.448 703 W N 1.918 123.161 121.300 -0.095 0.000 2.333 703 W HA -0.189 4.469 4.660 -0.004 0.000 0.316 703 W C 1.527 178.056 176.519 0.017 0.000 1.215 703 W CA 1.348 58.682 57.345 -0.018 0.000 1.278 703 W CB -0.513 28.941 29.460 -0.011 0.000 1.154 703 W HN 0.010 nan 8.180 nan 0.000 0.486 704 L N 1.119 122.232 121.223 -0.183 0.000 2.261 704 L HA -0.199 4.142 4.340 0.002 0.000 0.216 704 L C 2.283 178.996 176.870 -0.262 0.000 1.114 704 L CA 1.808 56.431 54.840 -0.361 0.000 0.777 704 L CB -0.895 41.089 42.059 -0.125 0.000 0.910 704 L HN 0.242 nan 8.230 nan 0.000 0.440 705 S N -3.699 111.933 115.700 -0.114 0.000 2.603 705 S HA 0.054 4.525 4.470 0.002 0.000 0.232 705 S C 1.261 175.886 174.600 0.040 0.000 1.016 705 S CA 0.218 58.365 58.200 -0.088 0.000 0.976 705 S CB 0.322 63.552 63.200 0.049 0.000 0.921 705 S HN 0.430 nan 8.310 nan 0.000 0.516 706 T N -2.402 112.157 114.554 0.009 0.000 3.010 706 T HA 0.362 4.713 4.350 0.002 0.000 0.253 706 T C 1.220 175.893 174.700 -0.045 0.000 0.939 706 T CA 0.507 62.628 62.100 0.035 0.000 0.910 706 T CB 0.040 68.960 68.868 0.087 0.000 1.226 706 T HN 0.121 nan 8.240 nan 0.000 0.508 707 V N 1.696 121.538 119.914 -0.120 0.000 2.870 707 V HA 0.254 4.375 4.120 0.002 0.000 0.232 707 V C 2.405 178.350 176.094 -0.249 0.000 1.161 707 V CA 0.926 63.092 62.300 -0.224 0.000 1.204 707 V CB -0.499 31.294 31.823 -0.050 0.000 1.003 707 V HN 0.371 nan 8.190 nan 0.000 0.499 708 N N 1.026 119.509 118.700 -0.362 0.000 2.348 708 N HA -0.170 4.571 4.740 0.002 0.000 0.185 708 N C 1.733 177.190 175.510 -0.088 0.000 1.019 708 N CA 1.943 54.822 53.050 -0.284 0.000 0.880 708 N CB -0.072 37.909 38.487 -0.843 0.000 0.965 708 N HN 0.695 nan 8.380 nan 0.000 0.437 709 T N -2.835 111.656 114.554 -0.105 0.000 2.896 709 T HA -0.052 4.299 4.350 0.002 0.000 0.263 709 T C 1.714 176.510 174.700 0.160 0.000 1.050 709 T CA 0.744 62.857 62.100 0.022 0.000 1.140 709 T CB -0.326 68.548 68.868 0.009 0.000 0.877 709 T HN 0.214 nan 8.240 nan 0.000 0.457 710 Q N 0.184 120.027 119.800 0.071 0.000 2.046 710 Q HA 0.043 4.384 4.340 0.002 0.000 0.200 710 Q C 2.041 178.100 176.000 0.098 0.000 0.975 710 Q CA 1.395 57.283 55.803 0.143 0.000 0.836 710 Q CB -0.402 28.261 28.738 -0.126 0.000 0.896 710 Q HN 0.596 nan 8.270 nan 0.000 0.428 711 F N -0.642 119.364 119.950 0.094 0.000 2.269 711 F HA -0.246 4.276 4.527 -0.008 0.000 0.301 711 F C 2.229 178.071 175.800 0.070 0.000 1.082 711 F CA 0.674 58.710 58.000 0.060 0.000 1.360 711 F CB -0.142 38.876 39.000 0.029 0.000 1.041 711 F HN 0.168 nan 8.300 nan 0.000 0.512 712 Y N 0.881 121.273 120.300 0.153 0.000 2.145 712 Y HA -0.263 4.288 4.550 0.001 0.000 0.286 712 Y C 2.516 178.445 175.900 0.049 0.000 1.145 712 Y CA 2.095 60.242 58.100 0.078 0.000 1.148 712 Y CB -1.016 37.465 38.460 0.034 0.000 0.981 712 Y HN -0.124 nan 8.280 nan 0.000 0.507 713 T N 1.275 115.824 114.554 -0.009 0.000 2.759 713 T HA -0.194 4.157 4.350 0.002 0.000 0.269 713 T C 1.953 176.535 174.700 -0.196 0.000 1.042 713 T CA 1.973 63.948 62.100 -0.208 0.000 1.140 713 T CB -0.461 68.193 68.868 -0.357 0.000 0.864 713 T HN 0.386 nan 8.240 nan 0.000 0.455 714 I N 0.387 120.940 120.570 -0.029 0.000 2.252 714 I HA -0.163 4.008 4.170 0.002 0.000 0.245 714 I C 2.555 178.652 176.117 -0.033 0.000 1.102 714 I CA 1.296 62.605 61.300 0.015 0.000 1.385 714 I CB -0.244 37.850 38.000 0.157 0.000 1.064 714 I HN 0.181 nan 8.210 nan 0.000 0.414 715 K N 0.416 120.788 120.400 -0.047 0.000 2.063 715 K HA -0.189 4.132 4.320 0.002 0.000 0.208 715 K C 2.024 178.561 176.600 -0.105 0.000 1.048 715 K CA 1.206 57.457 56.287 -0.060 0.000 0.928 715 K CB -0.125 32.336 32.500 -0.065 0.000 0.713 715 K HN 0.253 nan 8.250 nan 0.000 0.442 716 E N -0.056 119.989 120.200 -0.258 0.000 2.150 716 E HA -0.099 4.252 4.350 0.002 0.000 0.193 716 E C 2.121 178.678 176.600 -0.071 0.000 0.985 716 E CA 0.980 57.257 56.400 -0.205 0.000 0.814 716 E CB -0.183 29.292 29.700 -0.376 0.000 0.752 716 E HN 0.458 nan 8.360 nan 0.000 0.466 717 G N 0.683 109.424 108.800 -0.099 0.000 2.408 717 G HA2 -0.202 3.759 3.960 0.002 0.000 0.217 717 G HA3 -0.202 3.759 3.960 0.002 0.000 0.217 717 G C 1.524 176.393 174.900 -0.051 0.000 1.150 717 G CA 0.414 45.472 45.100 -0.070 0.000 0.776 717 G HN 0.110 nan 8.290 nan 0.000 0.542 718 M N -0.569 119.010 119.600 -0.033 0.000 2.254 718 M HA 0.093 4.574 4.480 0.002 0.000 0.265 718 M C 2.235 178.553 176.300 0.029 0.000 1.066 718 M CA 0.421 55.709 55.300 -0.019 0.000 1.123 718 M CB -1.068 31.538 32.600 0.009 0.000 1.388 718 M HN 0.389 nan 8.290 nan 0.000 0.425 719 Y N 1.363 121.629 120.300 -0.058 0.000 2.181 719 Y HA -0.198 4.352 4.550 0.000 0.000 0.288 719 Y C 2.293 178.134 175.900 -0.100 0.000 1.146 719 Y CA 1.794 59.867 58.100 -0.045 0.000 1.164 719 Y CB -0.127 38.299 38.460 -0.056 0.000 0.982 719 Y HN 0.133 nan 8.280 nan 0.000 0.515 720 K N -0.165 120.134 120.400 -0.168 0.000 1.984 720 K HA -0.149 4.172 4.320 0.002 0.000 0.209 720 K C 2.384 178.685 176.600 -0.498 0.000 1.046 720 K CA 1.095 57.121 56.287 -0.434 0.000 0.934 720 K CB -0.524 31.770 32.500 -0.343 0.000 0.717 720 K HN 0.368 nan 8.250 nan 0.000 0.438 721 A N 1.747 124.458 122.820 -0.180 0.000 1.884 721 A HA -0.224 4.097 4.320 0.002 0.000 0.219 721 A C 2.191 179.860 177.584 0.141 0.000 1.197 721 A CA 1.646 53.732 52.037 0.081 0.000 0.637 721 A CB -0.951 18.076 19.000 0.044 0.000 0.827 721 A HN 0.220 nan 8.150 nan 0.000 0.450 722 L N -0.448 120.816 121.223 0.069 0.000 2.042 722 L HA -0.239 4.102 4.340 0.002 0.000 0.210 722 L C 2.515 179.413 176.870 0.046 0.000 1.076 722 L CA 1.471 56.370 54.840 0.099 0.000 0.749 722 L CB -0.619 41.501 42.059 0.101 0.000 0.893 722 L HN 0.457 nan 8.230 nan 0.000 0.432 723 N N -0.650 117.939 118.700 -0.187 0.000 2.120 723 N HA -0.216 4.525 4.740 0.002 0.000 0.188 723 N C 1.904 177.384 175.510 -0.051 0.000 1.024 723 N CA 1.505 54.408 53.050 -0.245 0.000 0.852 723 N CB -0.296 37.894 38.487 -0.495 0.000 1.003 723 N HN 0.442 nan 8.380 nan 0.000 0.424 724 Y N 1.523 121.800 120.300 -0.039 0.000 2.128 724 Y HA -0.203 4.347 4.550 0.000 0.000 0.284 724 Y C 2.662 178.600 175.900 0.062 0.000 1.154 724 Y CA 0.515 58.624 58.100 0.015 0.000 1.149 724 Y CB 0.064 38.557 38.460 0.055 0.000 0.976 724 Y HN 0.080 nan 8.280 nan 0.000 0.505 725 Q N 0.083 120.013 119.800 0.216 0.000 2.061 725 Q HA -0.203 4.138 4.340 0.002 0.000 0.204 725 Q C 2.571 178.767 176.000 0.327 0.000 0.984 725 Q CA 1.460 57.358 55.803 0.159 0.000 0.846 725 Q CB -0.795 27.854 28.738 -0.148 0.000 0.902 725 Q HN 0.527 nan 8.270 nan 0.000 0.421 726 A N 0.796 123.804 122.820 0.313 0.000 1.972 726 A HA -0.231 4.090 4.320 0.002 0.000 0.219 726 A C 2.080 179.764 177.584 0.166 0.000 1.169 726 A CA 1.615 53.713 52.037 0.102 0.000 0.635 726 A CB -0.425 18.635 19.000 0.101 0.000 0.810 726 A HN 0.409 nan 8.150 nan 0.000 0.446 727 Q N -0.868 119.011 119.800 0.131 0.000 2.123 727 Q HA 0.032 4.373 4.340 0.002 0.000 0.199 727 Q C 2.422 178.594 176.000 0.285 0.000 0.966 727 Q CA 1.139 57.046 55.803 0.173 0.000 0.845 727 Q CB -0.322 28.493 28.738 0.128 0.000 0.907 727 Q HN 0.682 nan 8.270 nan 0.000 0.439 728 A N 0.813 123.795 122.820 0.269 0.000 1.873 728 A HA -0.170 4.151 4.320 0.002 0.000 0.215 728 A C 2.002 179.660 177.584 0.123 0.000 1.186 728 A CA 1.146 53.280 52.037 0.161 0.000 0.616 728 A CB -0.639 18.423 19.000 0.103 0.000 0.823 728 A HN 0.363 nan 8.150 nan 0.000 0.442 729 L N -0.009 121.315 121.223 0.169 0.000 2.131 729 L HA -0.120 4.221 4.340 0.002 0.000 0.210 729 L C 2.140 179.106 176.870 0.160 0.000 1.092 729 L CA 2.690 57.619 54.840 0.149 0.000 0.759 729 L CB -0.702 41.444 42.059 0.145 0.000 0.903 729 L HN 0.526 nan 8.230 nan 0.000 0.435 730 E N -0.125 120.195 120.200 0.199 0.000 2.031 730 E HA -0.284 4.067 4.350 0.002 0.000 0.193 730 E C 2.145 178.912 176.600 0.278 0.000 0.994 730 E CA 1.503 58.062 56.400 0.264 0.000 0.800 730 E CB -0.204 29.715 29.700 0.366 0.000 0.752 730 E HN 0.545 nan 8.360 nan 0.000 0.447 731 E N 0.096 120.440 120.200 0.240 0.000 2.118 731 E HA -0.164 4.187 4.350 0.002 0.000 0.195 731 E C 1.907 178.622 176.600 0.192 0.000 0.992 731 E CA 1.673 58.191 56.400 0.197 0.000 0.804 731 E CB -0.271 29.474 29.700 0.076 0.000 0.741 731 E HN 0.462 nan 8.360 nan 0.000 0.458 732 I N -0.064 120.614 120.570 0.180 0.000 2.286 732 I HA -0.202 3.969 4.170 0.002 0.000 0.245 732 I C 2.256 178.630 176.117 0.428 0.000 1.104 732 I CA 0.771 62.221 61.300 0.249 0.000 1.397 732 I CB -0.240 37.886 38.000 0.211 0.000 1.072 732 I HN 0.143 nan 8.210 nan 0.000 0.417 733 I N 0.931 121.778 120.570 0.463 0.000 2.163 733 I HA -0.323 3.848 4.170 0.002 0.000 0.243 733 I C 2.505 179.024 176.117 0.670 0.000 1.085 733 I CA 1.658 63.326 61.300 0.613 0.000 1.347 733 I CB -0.385 37.849 38.000 0.391 0.000 1.044 733 I HN 0.183 nan 8.210 nan 0.000 0.408 734 K N -0.223 120.512 120.400 0.557 0.000 2.057 734 K HA -0.241 4.080 4.320 0.002 0.000 0.207 734 K C 2.197 179.019 176.600 0.371 0.000 1.049 734 K CA 1.683 58.256 56.287 0.476 0.000 0.931 734 K CB -0.406 32.252 32.500 0.264 0.000 0.714 734 K HN 0.204 nan 8.250 nan 0.000 0.440 735 Y N 1.953 122.373 120.300 0.200 0.000 2.097 735 Y HA -0.238 4.313 4.550 0.002 0.000 0.282 735 Y C 2.192 178.103 175.900 0.019 0.000 1.152 735 Y CA 1.537 59.686 58.100 0.082 0.000 1.136 735 Y CB 0.060 38.540 38.460 0.033 0.000 0.975 735 Y HN -0.080 nan 8.280 nan 0.000 0.498 736 R N -0.792 119.760 120.500 0.087 0.000 2.105 736 R HA -0.230 4.111 4.340 0.002 0.000 0.239 736 R C 2.145 178.153 176.300 -0.487 0.000 1.135 736 R CA 1.723 57.715 56.100 -0.179 0.000 0.967 736 R CB -1.714 28.670 30.300 0.140 0.000 0.861 736 R HN 0.523 nan 8.270 nan 0.000 0.442 737 Y N 2.283 122.420 120.300 -0.273 0.000 2.181 737 Y HA -0.109 4.442 4.550 0.002 0.000 0.288 737 Y C 1.536 177.348 175.900 -0.146 0.000 1.146 737 Y CA 1.390 59.340 58.100 -0.249 0.000 1.164 737 Y CB -0.320 38.269 38.460 0.216 0.000 0.982 737 Y HN 0.017 nan 8.280 nan 0.000 0.515 738 N N 0.263 118.848 118.700 -0.192 0.000 2.521 738 N HA -0.065 4.676 4.740 0.002 0.000 0.188 738 N C 1.397 176.656 175.510 -0.419 0.000 1.146 738 N CA 0.513 53.385 53.050 -0.297 0.000 0.893 738 N CB 0.017 38.419 38.487 -0.142 0.000 0.975 738 N HN 0.378 nan 8.380 nan 0.000 0.451 739 I N 0.148 120.351 120.570 -0.611 0.000 2.876 739 I HA -0.049 4.122 4.170 0.002 0.000 0.264 739 I C 0.520 176.323 176.117 -0.524 0.000 1.204 739 I CA 0.282 61.204 61.300 -0.630 0.000 1.485 739 I CB -0.668 36.869 38.000 -0.772 0.000 1.103 739 I HN -0.019 nan 8.210 nan 0.000 0.446 740 Y N 1.199 121.276 120.300 -0.371 0.000 2.281 740 Y HA 0.157 4.707 4.550 0.002 0.000 0.337 740 Y C 1.595 177.328 175.900 -0.278 0.000 1.304 740 Y CA -0.608 57.303 58.100 -0.316 0.000 1.465 740 Y CB 0.316 38.555 38.460 -0.368 0.000 1.350 740 Y HN -0.022 nan 8.280 nan 0.000 0.575 741 S N -0.276 115.407 115.700 -0.028 0.000 2.645 741 S HA 0.129 4.600 4.470 0.002 0.000 0.266 741 S C 0.770 175.315 174.600 -0.092 0.000 1.258 741 S CA -0.816 57.341 58.200 -0.072 0.000 0.990 741 S CB 1.102 64.271 63.200 -0.051 0.000 0.967 741 S HN 0.673 nan 8.310 nan 0.000 0.556 742 E N 0.636 120.787 120.200 -0.082 0.000 2.153 742 E HA -0.124 4.227 4.350 0.002 0.000 0.194 742 E C 1.726 178.293 176.600 -0.057 0.000 0.988 742 E CA 0.781 57.138 56.400 -0.072 0.000 0.811 742 E CB -0.222 29.450 29.700 -0.047 0.000 0.746 742 E HN 0.544 nan 8.360 nan 0.000 0.466 743 K N 1.315 121.685 120.400 -0.050 0.000 2.026 743 K HA -0.152 4.169 4.320 0.002 0.000 0.208 743 K C 1.865 178.432 176.600 -0.054 0.000 1.048 743 K CA 1.264 57.526 56.287 -0.042 0.000 0.929 743 K CB -0.045 32.433 32.500 -0.036 0.000 0.713 743 K HN 0.209 nan 8.250 nan 0.000 0.439 744 E N 0.274 120.428 120.200 -0.078 0.000 2.072 744 E HA -0.142 4.209 4.350 0.002 0.000 0.191 744 E C 2.117 178.633 176.600 -0.140 0.000 0.985 744 E CA 0.992 57.318 56.400 -0.124 0.000 0.801 744 E CB -0.028 29.573 29.700 -0.165 0.000 0.750 744 E HN 0.251 nan 8.360 nan 0.000 0.452 745 K N 0.654 120.967 120.400 -0.146 0.000 2.160 745 K HA -0.116 4.205 4.320 0.002 0.000 0.206 745 K C 2.284 178.907 176.600 0.039 0.000 1.047 745 K CA 1.295 57.515 56.287 -0.111 0.000 0.930 745 K CB -0.057 32.305 32.500 -0.230 0.000 0.720 745 K HN -0.045 nan 8.250 nan 0.000 0.450 746 S N 1.108 116.811 115.700 0.006 0.000 2.419 746 S HA -0.049 4.422 4.470 0.002 0.000 0.233 746 S C 1.155 175.771 174.600 0.027 0.000 1.016 746 S CA 0.893 59.111 58.200 0.029 0.000 0.974 746 S CB -0.067 63.138 63.200 0.008 0.000 0.786 746 S HN 0.321 nan 8.310 nan 0.000 0.492 747 N N 0.565 119.267 118.700 0.002 0.000 2.235 747 N HA 0.284 5.025 4.740 0.002 0.000 0.209 747 N C -0.474 175.041 175.510 0.008 0.000 1.122 747 N CA 0.132 53.181 53.050 -0.001 0.000 0.845 747 N CB 0.535 39.008 38.487 -0.022 0.000 1.004 747 N HN 0.368 nan 8.380 nan 0.000 0.499 748 I N 1.459 122.057 120.570 0.046 0.000 2.321 748 I HA 0.091 4.262 4.170 0.002 0.000 0.291 748 I C 0.091 176.272 176.117 0.107 0.000 0.998 748 I CA -0.706 60.652 61.300 0.095 0.000 1.227 748 I CB 1.052 39.171 38.000 0.197 0.000 1.368 748 I HN -0.139 nan 8.210 nan 0.000 0.466 749 N N 8.635 127.370 118.700 0.059 0.000 2.469 749 N HA 0.362 5.103 4.740 0.002 0.000 0.239 749 N C -1.276 174.218 175.510 -0.026 0.000 1.053 749 N CA -0.067 52.995 53.050 0.019 0.000 0.937 749 N CB 0.382 38.871 38.487 0.002 0.000 1.163 749 N HN 0.316 nan 8.380 nan 0.000 0.509 750 I N 1.692 122.222 120.570 -0.067 0.000 2.686 750 I HA 0.301 4.472 4.170 0.002 0.000 0.295 750 I C -0.979 175.006 176.117 -0.220 0.000 1.114 750 I CA -0.685 60.486 61.300 -0.216 0.000 1.038 750 I CB 2.029 39.794 38.000 -0.391 0.000 1.238 750 I HN 0.463 nan 8.210 nan 0.000 0.420 751 D N 4.196 124.428 120.400 -0.281 0.000 2.402 751 D HA 0.355 4.996 4.640 0.002 0.000 0.252 751 D C 0.360 176.531 176.300 -0.215 0.000 1.294 751 D CA -0.381 53.523 54.000 -0.160 0.000 0.948 751 D CB 0.690 41.433 40.800 -0.095 0.000 1.202 751 D HN 0.216 nan 8.370 nan 0.000 0.561 752 F N 1.707 121.595 119.950 -0.103 0.000 2.216 752 F HA -0.123 4.405 4.527 0.001 0.000 0.300 752 F C 2.105 177.825 175.800 -0.133 0.000 1.085 752 F CA 0.702 58.637 58.000 -0.110 0.000 1.326 752 F CB -0.207 38.751 39.000 -0.070 0.000 1.027 752 F HN 0.361 nan 8.300 nan 0.000 0.497 753 N N 0.237 118.977 118.700 0.068 0.000 2.104 753 N HA -0.206 4.535 4.740 0.002 0.000 0.190 753 N C 1.591 177.046 175.510 -0.092 0.000 1.024 753 N CA 1.610 54.651 53.050 -0.015 0.000 0.853 753 N CB -0.689 37.798 38.487 0.001 0.000 1.008 753 N HN 0.274 nan 8.380 nan 0.000 0.424 754 D N 1.069 121.411 120.400 -0.096 0.000 2.084 754 D HA -0.016 4.625 4.640 0.002 0.000 0.194 754 D C 2.126 178.316 176.300 -0.183 0.000 0.990 754 D CA 0.597 54.521 54.000 -0.126 0.000 0.826 754 D CB -0.225 40.503 40.800 -0.120 0.000 0.971 754 D HN 0.155 nan 8.370 nan 0.000 0.453 755 I N 0.537 120.973 120.570 -0.223 0.000 2.113 755 I HA -0.362 3.809 4.170 0.002 0.000 0.242 755 I C 1.937 177.846 176.117 -0.346 0.000 1.064 755 I CA 1.265 62.403 61.300 -0.270 0.000 1.320 755 I CB -0.438 37.390 38.000 -0.287 0.000 1.028 755 I HN 0.079 nan 8.210 nan 0.000 0.406 756 N N 0.196 118.634 118.700 -0.438 0.000 2.166 756 N HA -0.180 4.561 4.740 0.002 0.000 0.186 756 N C 1.952 177.124 175.510 -0.563 0.000 1.019 756 N CA 1.588 54.121 53.050 -0.862 0.000 0.856 756 N CB -0.511 37.434 38.487 -0.904 0.000 0.993 756 N HN 0.299 nan 8.380 nan 0.000 0.426 757 S N 0.745 116.266 115.700 -0.298 0.000 2.348 757 S HA -0.055 4.416 4.470 0.002 0.000 0.221 757 S C 1.715 176.242 174.600 -0.121 0.000 1.033 757 S CA 1.013 59.118 58.200 -0.158 0.000 1.010 757 S CB -0.010 63.128 63.200 -0.102 0.000 0.891 757 S HN 0.202 nan 8.310 nan 0.000 0.442 758 K N 0.486 120.803 120.400 -0.139 0.000 2.097 758 K HA -0.022 4.299 4.320 0.002 0.000 0.206 758 K C 2.147 178.703 176.600 -0.072 0.000 1.049 758 K CA 1.396 57.627 56.287 -0.092 0.000 0.933 758 K CB -0.366 32.069 32.500 -0.108 0.000 0.717 758 K HN 0.415 nan 8.250 nan 0.000 0.442 759 L N 1.395 122.512 121.223 -0.176 0.000 2.005 759 L HA -0.197 4.144 4.340 0.002 0.000 0.207 759 L C 2.470 179.367 176.870 0.045 0.000 1.072 759 L CA 1.161 55.879 54.840 -0.202 0.000 0.744 759 L CB -0.749 41.065 42.059 -0.408 0.000 0.895 759 L HN 0.345 nan 8.230 nan 0.000 0.433 760 N N 0.441 119.183 118.700 0.070 0.000 2.364 760 N HA -0.251 4.490 4.740 0.002 0.000 0.183 760 N C 1.720 177.327 175.510 0.162 0.000 1.022 760 N CA 1.519 54.700 53.050 0.219 0.000 0.883 760 N CB 0.150 38.789 38.487 0.253 0.000 0.965 760 N HN 0.320 nan 8.380 nan 0.000 0.438 761 E N 0.417 120.677 120.200 0.100 0.000 2.046 761 E HA -0.002 4.349 4.350 0.002 0.000 0.190 761 E C 1.983 178.659 176.600 0.126 0.000 0.982 761 E CA 1.682 58.138 56.400 0.093 0.000 0.800 761 E CB -1.025 28.704 29.700 0.048 0.000 0.756 761 E HN 0.393 nan 8.360 nan 0.000 0.449 762 G N 0.856 109.750 108.800 0.158 0.000 2.432 762 G HA2 -0.215 3.746 3.960 0.002 0.000 0.219 762 G HA3 -0.215 3.746 3.960 0.002 0.000 0.219 762 G C 1.710 176.747 174.900 0.229 0.000 1.135 762 G CA 0.959 46.174 45.100 0.191 0.000 0.767 762 G HN 0.332 nan 8.290 nan 0.000 0.550 763 I N 0.862 121.605 120.570 0.289 0.000 2.226 763 I HA -0.164 4.007 4.170 0.002 0.000 0.245 763 I C 2.446 178.691 176.117 0.213 0.000 1.100 763 I CA 0.830 62.291 61.300 0.268 0.000 1.374 763 I CB -0.223 37.925 38.000 0.247 0.000 1.057 763 I HN 0.073 nan 8.210 nan 0.000 0.413 764 N N 0.721 119.537 118.700 0.193 0.000 2.188 764 N HA -0.176 4.565 4.740 0.002 0.000 0.184 764 N C 1.839 177.434 175.510 0.142 0.000 1.018 764 N CA 1.161 54.316 53.050 0.175 0.000 0.858 764 N CB -0.237 38.340 38.487 0.151 0.000 0.989 764 N HN 0.475 nan 8.380 nan 0.000 0.426 765 Q N 0.173 120.047 119.800 0.124 0.000 2.079 765 Q HA 0.054 4.395 4.340 0.002 0.000 0.200 765 Q C 2.010 178.069 176.000 0.099 0.000 0.974 765 Q CA 1.445 57.304 55.803 0.095 0.000 0.840 765 Q CB -0.091 28.692 28.738 0.075 0.000 0.898 765 Q HN 0.374 nan 8.270 nan 0.000 0.430 766 A N 0.846 123.743 122.820 0.129 0.000 1.929 766 A HA -0.131 4.190 4.320 0.002 0.000 0.216 766 A C 1.983 179.653 177.584 0.143 0.000 1.176 766 A CA 0.823 52.947 52.037 0.145 0.000 0.628 766 A CB -0.335 18.795 19.000 0.216 0.000 0.816 766 A HN 0.220 nan 8.150 nan 0.000 0.444 767 I N 0.879 121.548 120.570 0.164 0.000 2.226 767 I HA -0.209 3.962 4.170 0.002 0.000 0.245 767 I C 1.719 177.912 176.117 0.127 0.000 1.100 767 I CA 1.565 62.967 61.300 0.171 0.000 1.374 767 I CB -1.413 36.721 38.000 0.224 0.000 1.057 767 I HN 0.328 nan 8.210 nan 0.000 0.413 768 D N 0.802 121.269 120.400 0.112 0.000 2.144 768 D HA -0.155 4.486 4.640 0.002 0.000 0.199 768 D C 1.851 178.200 176.300 0.083 0.000 0.984 768 D CA 0.942 54.997 54.000 0.091 0.000 0.834 768 D CB -0.276 40.572 40.800 0.081 0.000 0.955 768 D HN 0.350 nan 8.370 nan 0.000 0.465 769 N N 0.971 119.714 118.700 0.072 0.000 2.080 769 N HA -0.076 4.665 4.740 0.002 0.000 0.189 769 N C 2.215 177.772 175.510 0.078 0.000 1.036 769 N CA 0.459 53.539 53.050 0.050 0.000 0.846 769 N CB -0.423 38.066 38.487 0.003 0.000 1.015 769 N HN 0.249 nan 8.380 nan 0.000 0.423 770 I N 1.326 121.942 120.570 0.077 0.000 2.194 770 I HA -0.287 3.884 4.170 0.002 0.000 0.246 770 I C 1.545 177.748 176.117 0.143 0.000 1.093 770 I CA 1.132 62.500 61.300 0.113 0.000 1.355 770 I CB -0.264 37.790 38.000 0.091 0.000 1.046 770 I HN 0.114 nan 8.210 nan 0.000 0.413 771 N N 0.720 119.485 118.700 0.108 0.000 2.142 771 N HA -0.137 4.604 4.740 0.002 0.000 0.186 771 N C 1.585 177.147 175.510 0.088 0.000 1.023 771 N CA 1.042 54.145 53.050 0.089 0.000 0.852 771 N CB -0.264 38.274 38.487 0.086 0.000 0.998 771 N HN 0.272 nan 8.380 nan 0.000 0.424 772 N N 0.041 118.804 118.700 0.105 0.000 2.166 772 N HA -0.138 4.603 4.740 0.002 0.000 0.186 772 N C 1.523 177.107 175.510 0.123 0.000 1.019 772 N CA 0.617 53.730 53.050 0.105 0.000 0.856 772 N CB -0.404 38.143 38.487 0.099 0.000 0.993 772 N HN 0.213 nan 8.380 nan 0.000 0.426 773 F N 2.264 122.200 119.950 -0.024 0.000 2.075 773 F HA -0.081 4.441 4.527 -0.008 0.000 0.297 773 F C 2.117 177.868 175.800 -0.081 0.000 1.113 773 F CA 1.029 58.994 58.000 -0.058 0.000 1.218 773 F CB -0.371 38.563 39.000 -0.110 0.000 0.984 773 F HN -0.141 nan 8.300 nan 0.000 0.472 774 I N 0.984 121.396 120.570 -0.263 0.000 2.286 774 I HA -0.295 3.877 4.170 0.002 0.000 0.248 774 I C 1.996 177.864 176.117 -0.415 0.000 1.115 774 I CA 1.201 62.222 61.300 -0.465 0.000 1.392 774 I CB -1.637 36.260 38.000 -0.171 0.000 1.065 774 I HN 0.252 nan 8.210 nan 0.000 0.418 775 N N 1.302 119.915 118.700 -0.145 0.000 2.166 775 N HA -0.116 4.625 4.740 0.002 0.000 0.186 775 N C 2.016 177.511 175.510 -0.024 0.000 1.019 775 N CA 1.500 54.535 53.050 -0.024 0.000 0.856 775 N CB -0.675 37.860 38.487 0.081 0.000 0.993 775 N HN 0.413 nan 8.380 nan 0.000 0.426 776 G N 0.460 109.229 108.800 -0.050 0.000 2.440 776 G HA2 -0.253 3.708 3.960 0.002 0.000 0.218 776 G HA3 -0.253 3.708 3.960 0.002 0.000 0.218 776 G C 1.833 176.719 174.900 -0.024 0.000 1.154 776 G CA 1.022 46.148 45.100 0.043 0.000 0.767 776 G HN 0.372 nan 8.290 nan 0.000 0.552 777 C N 0.055 119.164 119.300 -0.318 0.000 2.435 777 C HA 0.070 4.531 4.460 0.002 0.000 0.279 777 C C 3.315 178.131 174.990 -0.289 0.000 1.321 777 C CA 1.095 59.892 59.018 -0.369 0.000 1.752 777 C CB -0.713 26.555 27.740 -0.786 0.000 1.959 777 C HN 0.473 nan 8.230 nan 0.000 0.500 778 S N 0.525 116.008 115.700 -0.362 0.000 2.371 778 S HA -0.098 4.373 4.470 0.002 0.000 0.224 778 S C 1.828 176.697 174.600 0.449 0.000 1.029 778 S CA 1.627 59.988 58.200 0.268 0.000 0.978 778 S CB -0.113 63.310 63.200 0.372 0.000 0.833 778 S HN 0.411 nan 8.310 nan 0.000 0.466 779 V N 1.401 121.415 119.914 0.167 0.000 2.548 779 V HA -0.059 4.062 4.120 0.002 0.000 0.249 779 V C 2.663 178.443 176.094 -0.523 0.000 1.055 779 V CA 1.822 64.006 62.300 -0.194 0.000 1.065 779 V CB -0.935 30.776 31.823 -0.187 0.000 0.681 779 V HN 0.625 nan 8.190 nan 0.000 0.462 780 S N -0.692 114.846 115.700 -0.269 0.000 2.368 780 S HA -0.250 4.221 4.470 0.002 0.000 0.224 780 S C 2.031 176.569 174.600 -0.103 0.000 1.029 780 S CA 1.597 59.713 58.200 -0.141 0.000 0.988 780 S CB -0.464 62.833 63.200 0.162 0.000 0.838 780 S HN 0.654 nan 8.310 nan 0.000 0.462 781 Y N 1.320 121.587 120.300 -0.055 0.000 2.242 781 Y HA -0.016 4.528 4.550 -0.010 0.000 0.291 781 Y C 2.057 177.875 175.900 -0.138 0.000 1.137 781 Y CA 1.608 59.708 58.100 -0.001 0.000 1.181 781 Y CB -0.358 38.241 38.460 0.231 0.000 0.989 781 Y HN 0.386 nan 8.280 nan 0.000 0.527 782 L N -0.363 120.757 121.223 -0.171 0.000 1.994 782 L HA -0.238 4.103 4.340 0.002 0.000 0.208 782 L C 2.012 178.604 176.870 -0.462 0.000 1.071 782 L CA 1.954 56.469 54.840 -0.541 0.000 0.745 782 L CB -0.719 40.581 42.059 -1.264 0.000 0.892 782 L HN 0.173 nan 8.230 nan 0.000 0.431 783 M N -0.534 118.818 119.600 -0.414 0.000 2.132 783 M HA -0.141 4.340 4.480 0.002 0.000 0.263 783 M C 2.217 178.427 176.300 -0.151 0.000 1.065 783 M CA 1.716 56.862 55.300 -0.256 0.000 1.122 783 M CB -1.076 31.395 32.600 -0.214 0.000 1.365 783 M HN 0.302 nan 8.290 nan 0.000 0.411 784 K N -0.643 119.609 120.400 -0.247 0.000 2.276 784 K HA 0.042 4.363 4.320 0.002 0.000 0.198 784 K C 1.723 178.140 176.600 -0.304 0.000 1.052 784 K CA 0.367 56.474 56.287 -0.301 0.000 0.984 784 K CB 0.415 32.584 32.500 -0.550 0.000 0.836 784 K HN 0.052 nan 8.250 nan 0.000 0.490 785 K N -0.125 119.991 120.400 -0.472 0.000 2.353 785 K HA 0.246 4.567 4.320 0.002 0.000 0.195 785 K C 1.390 177.725 176.600 -0.442 0.000 1.031 785 K CA 0.518 56.452 56.287 -0.587 0.000 1.079 785 K CB 0.653 32.415 32.500 -1.232 0.000 0.857 785 K HN 0.160 nan 8.250 nan 0.000 0.535 786 M N -0.807 118.586 119.600 -0.345 0.000 2.902 786 M HA 0.140 4.621 4.480 0.002 0.000 0.225 786 M C 1.492 177.655 176.300 -0.228 0.000 1.711 786 M CA 0.051 55.206 55.300 -0.242 0.000 1.213 786 M CB 0.115 32.595 32.600 -0.199 0.000 1.265 786 M HN -0.179 nan 8.290 nan 0.000 0.577 787 I N 1.428 121.820 120.570 -0.298 0.000 2.194 787 I HA -0.187 3.984 4.170 0.002 0.000 0.246 787 I C -0.642 175.407 176.117 -0.113 0.000 1.093 787 I CA 2.066 63.192 61.300 -0.290 0.000 1.355 787 I CB -2.244 35.514 38.000 -0.402 0.000 1.046 787 I HN 0.134 nan 8.210 nan 0.000 0.413 788 P HA -0.105 nan 4.420 nan 0.000 0.217 788 P C 2.179 179.460 177.300 -0.032 0.000 1.150 788 P CA 1.137 64.233 63.100 -0.007 0.000 0.832 788 P CB 0.005 31.727 31.700 0.036 0.000 0.787 789 L N -1.642 119.539 121.223 -0.071 0.000 2.275 789 L HA -0.089 4.253 4.340 0.002 0.000 0.215 789 L C 2.282 179.099 176.870 -0.087 0.000 1.119 789 L CA 1.199 55.994 54.840 -0.074 0.000 0.790 789 L CB -0.891 41.115 42.059 -0.089 0.000 0.919 789 L HN -0.012 nan 8.230 nan 0.000 0.443 790 A N -0.333 122.427 122.820 -0.101 0.000 1.878 790 A HA -0.062 4.259 4.320 0.002 0.000 0.213 790 A C 2.301 179.783 177.584 -0.170 0.000 1.192 790 A CA 0.807 52.762 52.037 -0.137 0.000 0.619 790 A CB -0.629 18.304 19.000 -0.112 0.000 0.837 790 A HN 0.096 nan 8.150 nan 0.000 0.446 791 V N 0.670 120.537 119.914 -0.079 0.000 2.324 791 V HA -0.344 3.777 4.120 0.002 0.000 0.250 791 V C 2.534 178.591 176.094 -0.061 0.000 1.060 791 V CA 2.560 64.826 62.300 -0.058 0.000 1.042 791 V CB -0.731 31.162 31.823 0.116 0.000 0.650 791 V HN 0.806 nan 8.190 nan 0.000 0.450 792 E N 0.072 120.250 120.200 -0.035 0.000 2.021 792 E HA -0.290 4.061 4.350 0.002 0.000 0.200 792 E C 2.338 178.915 176.600 -0.038 0.000 1.015 792 E CA 1.623 58.014 56.400 -0.015 0.000 0.824 792 E CB -0.097 29.593 29.700 -0.018 0.000 0.762 792 E HN 0.397 nan 8.360 nan 0.000 0.454 793 K N 0.441 120.792 120.400 -0.082 0.000 2.074 793 K HA -0.161 4.160 4.320 0.002 0.000 0.209 793 K C 2.358 178.892 176.600 -0.110 0.000 1.048 793 K CA 1.117 57.352 56.287 -0.087 0.000 0.926 793 K CB -0.652 31.776 32.500 -0.120 0.000 0.713 793 K HN 0.328 nan 8.250 nan 0.000 0.444 794 L N 0.688 121.738 121.223 -0.289 0.000 2.131 794 L HA -0.166 4.175 4.340 0.002 0.000 0.210 794 L C 2.393 179.269 176.870 0.011 0.000 1.092 794 L CA 0.810 55.362 54.840 -0.481 0.000 0.759 794 L CB -0.368 40.797 42.059 -1.491 0.000 0.903 794 L HN 0.107 nan 8.230 nan 0.000 0.435 795 L N -0.802 120.471 121.223 0.083 0.000 2.095 795 L HA -0.174 4.167 4.340 0.002 0.000 0.204 795 L C 2.307 179.258 176.870 0.136 0.000 1.080 795 L CA 1.007 55.977 54.840 0.216 0.000 0.759 795 L CB -0.564 41.598 42.059 0.171 0.000 0.914 795 L HN 0.241 nan 8.230 nan 0.000 0.439 796 D N 0.380 120.830 120.400 0.083 0.000 2.133 796 D HA -0.295 4.346 4.640 0.002 0.000 0.195 796 D C 2.027 178.369 176.300 0.070 0.000 0.997 796 D CA 1.441 55.476 54.000 0.058 0.000 0.840 796 D CB -0.097 40.727 40.800 0.040 0.000 0.947 796 D HN 0.245 nan 8.370 nan 0.000 0.452 797 F N 1.122 121.046 119.950 -0.042 0.000 2.102 797 F HA -0.142 4.386 4.527 0.001 0.000 0.298 797 F C 1.868 177.645 175.800 -0.037 0.000 1.105 797 F CA 1.757 59.721 58.000 -0.060 0.000 1.239 797 F CB -0.548 38.390 39.000 -0.103 0.000 0.991 797 F HN -0.157 nan 8.300 nan 0.000 0.474 798 D N 0.427 120.779 120.400 -0.081 0.000 2.108 798 D HA -0.287 4.354 4.640 0.002 0.000 0.190 798 D C 2.153 178.314 176.300 -0.232 0.000 0.995 798 D CA 1.772 55.665 54.000 -0.178 0.000 0.834 798 D CB -1.040 39.842 40.800 0.136 0.000 0.967 798 D HN 0.498 nan 8.370 nan 0.000 0.446 799 N N -0.403 118.236 118.700 -0.101 0.000 2.037 799 N HA -0.199 4.542 4.740 0.002 0.000 0.196 799 N C 1.552 176.979 175.510 -0.138 0.000 1.034 799 N CA 2.148 55.145 53.050 -0.088 0.000 0.861 799 N CB 0.004 38.469 38.487 -0.037 0.000 1.039 799 N HN 0.084 nan 8.380 nan 0.000 0.427 800 T N 1.645 116.100 114.554 -0.164 0.000 2.635 800 T HA -0.198 4.153 4.350 0.002 0.000 0.267 800 T C 1.878 176.434 174.700 -0.239 0.000 1.040 800 T CA 1.389 63.390 62.100 -0.166 0.000 1.156 800 T CB -0.462 68.320 68.868 -0.144 0.000 0.863 800 T HN 0.245 nan 8.240 nan 0.000 0.430 801 L N 1.052 122.004 121.223 -0.452 0.000 2.191 801 L HA 0.027 4.368 4.340 0.002 0.000 0.212 801 L C 2.275 178.983 176.870 -0.269 0.000 1.103 801 L CA 1.710 56.261 54.840 -0.481 0.000 0.769 801 L CB -0.423 41.099 42.059 -0.894 0.000 0.908 801 L HN 0.120 nan 8.230 nan 0.000 0.438 802 K N 0.388 120.660 120.400 -0.213 0.000 1.985 802 K HA -0.240 4.081 4.320 0.002 0.000 0.210 802 K C 2.146 178.703 176.600 -0.072 0.000 1.047 802 K CA 1.976 58.191 56.287 -0.121 0.000 0.932 802 K CB -0.165 32.279 32.500 -0.093 0.000 0.716 802 K HN 0.518 nan 8.250 nan 0.000 0.439 803 K N 0.113 120.476 120.400 -0.063 0.000 2.283 803 K HA -0.141 4.180 4.320 0.002 0.000 0.202 803 K C 1.815 178.409 176.600 -0.010 0.000 1.048 803 K CA 1.448 57.718 56.287 -0.028 0.000 0.948 803 K CB -0.238 32.247 32.500 -0.025 0.000 0.742 803 K HN 0.097 nan 8.250 nan 0.000 0.458 804 N N 1.588 120.268 118.700 -0.034 0.000 2.142 804 N HA -0.090 4.651 4.740 0.002 0.000 0.186 804 N C 1.729 177.262 175.510 0.040 0.000 1.023 804 N CA 1.057 54.105 53.050 -0.004 0.000 0.852 804 N CB -0.005 38.453 38.487 -0.048 0.000 0.998 804 N HN 0.305 nan 8.380 nan 0.000 0.424 805 L N 0.468 121.696 121.223 0.009 0.000 2.179 805 L HA -0.006 4.335 4.340 0.002 0.000 0.208 805 L C 2.348 179.287 176.870 0.116 0.000 1.096 805 L CA 0.346 55.221 54.840 0.058 0.000 0.779 805 L CB -0.264 41.796 42.059 0.001 0.000 0.922 805 L HN 0.119 nan 8.230 nan 0.000 0.443 806 L N -0.258 121.000 121.223 0.059 0.000 2.027 806 L HA -0.207 4.134 4.340 0.002 0.000 0.206 806 L C 2.367 179.282 176.870 0.075 0.000 1.074 806 L CA 1.458 56.331 54.840 0.054 0.000 0.745 806 L CB -0.754 41.318 42.059 0.021 0.000 0.898 806 L HN 0.400 nan 8.230 nan 0.000 0.433 807 N N -0.612 118.134 118.700 0.077 0.000 2.443 807 N HA -0.247 4.494 4.740 0.002 0.000 0.184 807 N C 1.916 177.499 175.510 0.122 0.000 1.037 807 N CA 0.920 54.017 53.050 0.078 0.000 0.896 807 N CB 0.167 38.694 38.487 0.067 0.000 0.959 807 N HN 0.352 nan 8.380 nan 0.000 0.442 808 Y N 1.207 121.521 120.300 0.024 0.000 2.262 808 Y HA 0.173 4.724 4.550 0.002 0.000 0.295 808 Y C 2.042 177.970 175.900 0.047 0.000 1.121 808 Y CA 0.797 58.919 58.100 0.036 0.000 1.144 808 Y CB -0.195 38.291 38.460 0.042 0.000 1.043 808 Y HN -0.044 nan 8.280 nan 0.000 0.528 809 I N 0.467 121.122 120.570 0.142 0.000 2.850 809 I HA -0.234 3.937 4.170 0.002 0.000 0.266 809 I C 1.867 177.984 176.117 -0.001 0.000 1.257 809 I CA 1.377 62.707 61.300 0.050 0.000 1.465 809 I CB -0.298 37.753 38.000 0.085 0.000 1.091 809 I HN 0.396 nan 8.210 nan 0.000 0.467 810 D N 0.999 121.400 120.400 0.002 0.000 2.320 810 D HA -0.099 4.542 4.640 0.002 0.000 0.228 810 D C 1.865 178.161 176.300 -0.007 0.000 0.978 810 D CA 0.761 54.763 54.000 0.004 0.000 0.905 810 D CB 0.137 40.947 40.800 0.018 0.000 1.051 810 D HN 0.288 nan 8.370 nan 0.000 0.471 811 E N 0.385 120.571 120.200 -0.024 0.000 2.273 811 E HA -0.145 4.206 4.350 0.002 0.000 0.198 811 E C 1.021 177.634 176.600 0.022 0.000 1.002 811 E CA 0.729 57.120 56.400 -0.015 0.000 0.828 811 E CB -0.105 29.572 29.700 -0.037 0.000 0.747 811 E HN 0.389 nan 8.360 nan 0.000 0.491 812 N N 0.401 119.081 118.700 -0.033 0.000 2.187 812 N HA 0.009 4.750 4.740 0.002 0.000 0.212 812 N C 1.137 176.776 175.510 0.214 0.000 1.152 812 N CA -0.085 53.065 53.050 0.166 0.000 0.872 812 N CB 0.415 38.816 38.487 -0.143 0.000 1.025 812 N HN 0.147 nan 8.380 nan 0.000 0.514 813 K N 1.502 121.939 120.400 0.061 0.000 2.117 813 K HA -0.236 4.085 4.320 0.002 0.000 0.215 813 K C 1.643 178.219 176.600 -0.040 0.000 1.053 813 K CA 1.407 57.701 56.287 0.011 0.000 0.935 813 K CB -0.667 31.828 32.500 -0.009 0.000 0.719 813 K HN 0.135 nan 8.250 nan 0.000 0.460 814 L N 0.013 121.137 121.223 -0.165 0.000 1.970 814 L HA -0.200 4.141 4.340 0.002 0.000 0.212 814 L C 2.538 179.192 176.870 -0.360 0.000 1.071 814 L CA 1.660 56.264 54.840 -0.394 0.000 0.751 814 L CB -0.882 40.697 42.059 -0.800 0.000 0.889 814 L HN 0.197 nan 8.230 nan 0.000 0.432 815 Y N -0.309 119.976 120.300 -0.024 0.000 2.680 815 Y HA -0.057 4.494 4.550 0.002 0.000 0.303 815 Y C 2.026 177.923 175.900 -0.004 0.000 1.166 815 Y CA 0.351 58.443 58.100 -0.014 0.000 1.344 815 Y CB -0.722 37.728 38.460 -0.018 0.000 1.002 815 Y HN 0.156 nan 8.280 nan 0.000 0.537 816 L N -1.746 119.540 121.223 0.105 0.000 2.537 816 L HA 0.149 4.490 4.340 0.002 0.000 0.224 816 L C 0.970 177.871 176.870 0.052 0.000 1.065 816 L CA -0.153 54.738 54.840 0.086 0.000 0.860 816 L CB -0.159 41.947 42.059 0.079 0.000 1.086 816 L HN 0.059 nan 8.230 nan 0.000 0.482 817 I N 0.745 121.321 120.570 0.011 0.000 4.907 817 I HA -0.350 3.821 4.170 0.002 0.000 0.038 817 I C 1.358 177.485 176.117 0.018 0.000 0.635 817 I CA 1.763 63.060 61.300 -0.004 0.000 0.208 817 I CB -1.742 36.254 38.000 -0.007 0.000 0.321 817 I HN 0.221 nan 8.210 nan 0.000 0.150 818 G N 0.076 108.890 108.800 0.023 0.000 3.401 818 G HA2 0.474 4.435 3.960 0.002 0.000 0.251 818 G HA3 0.474 4.435 3.960 0.002 0.000 0.251 818 G C 0.404 175.342 174.900 0.063 0.000 0.960 818 G CA 0.625 45.744 45.100 0.031 0.000 1.900 818 G HN 1.104 nan 8.290 nan 0.000 0.645 819 S N -2.228 113.531 115.700 0.099 0.000 2.208 819 S HA 0.169 4.640 4.470 0.002 0.000 0.234 819 S C 1.868 176.561 174.600 0.154 0.000 0.907 819 S CA 0.886 59.200 58.200 0.190 0.000 1.616 819 S CB -0.436 62.903 63.200 0.232 0.000 1.218 819 S HN 0.747 nan 8.310 nan 0.000 0.588 820 A N 1.493 124.367 122.820 0.090 0.000 2.084 820 A HA -0.042 4.279 4.320 0.002 0.000 0.221 820 A C 1.954 179.570 177.584 0.054 0.000 1.161 820 A CA 2.111 54.184 52.037 0.060 0.000 0.653 820 A CB -0.560 18.462 19.000 0.038 0.000 0.802 820 A HN 0.537 nan 8.150 nan 0.000 0.457 821 E N -2.308 117.937 120.200 0.076 0.000 2.431 821 E HA 0.048 4.399 4.350 0.002 0.000 0.200 821 E C 1.417 178.082 176.600 0.109 0.000 0.995 821 E CA 0.346 56.788 56.400 0.070 0.000 0.915 821 E CB -0.347 29.390 29.700 0.062 0.000 0.930 821 E HN 0.645 nan 8.360 nan 0.000 0.496 822 Y N 1.374 121.686 120.300 0.019 0.000 2.206 822 Y HA 0.130 4.681 4.550 0.002 0.000 0.292 822 Y C 1.106 177.021 175.900 0.025 0.000 1.123 822 Y CA 1.694 59.805 58.100 0.019 0.000 1.142 822 Y CB -0.018 38.453 38.460 0.019 0.000 1.006 822 Y HN -0.022 nan 8.280 nan 0.000 0.518 823 E N 0.037 120.003 120.200 -0.390 0.000 2.445 823 E HA -0.018 4.333 4.350 0.002 0.000 0.189 823 E C 1.392 177.888 176.600 -0.174 0.000 1.069 823 E CA -0.042 56.084 56.400 -0.456 0.000 0.871 823 E CB 0.233 29.756 29.700 -0.295 0.000 0.991 823 E HN 0.215 nan 8.360 nan 0.000 0.481 824 K N 0.604 120.948 120.400 -0.094 0.000 2.128 824 K HA -0.046 4.275 4.320 0.002 0.000 0.202 824 K C 2.116 178.690 176.600 -0.043 0.000 1.050 824 K CA 1.330 57.597 56.287 -0.033 0.000 0.966 824 K CB 0.086 32.587 32.500 0.002 0.000 0.759 824 K HN 0.086 nan 8.250 nan 0.000 0.454 825 S N 0.083 115.753 115.700 -0.050 0.000 2.406 825 S HA -0.054 4.417 4.470 0.002 0.000 0.224 825 S C 1.963 176.522 174.600 -0.068 0.000 1.030 825 S CA 0.696 58.875 58.200 -0.034 0.000 0.958 825 S CB -0.304 62.899 63.200 0.006 0.000 0.811 825 S HN 0.314 nan 8.310 nan 0.000 0.489 826 K N 1.099 121.410 120.400 -0.148 0.000 2.293 826 K HA -0.096 4.225 4.320 0.002 0.000 0.204 826 K C 1.609 178.144 176.600 -0.109 0.000 1.045 826 K CA 1.482 57.664 56.287 -0.176 0.000 0.933 826 K CB -0.273 31.994 32.500 -0.389 0.000 0.736 826 K HN 0.361 nan 8.250 nan 0.000 0.463 827 V N 0.805 120.665 119.914 -0.090 0.000 2.500 827 V HA -0.106 4.015 4.120 0.002 0.000 0.243 827 V C 1.624 177.688 176.094 -0.051 0.000 1.039 827 V CA 1.572 63.836 62.300 -0.061 0.000 1.053 827 V CB -0.466 31.330 31.823 -0.044 0.000 0.695 827 V HN 0.353 nan 8.190 nan 0.000 0.463 828 N N 0.776 119.450 118.700 -0.043 0.000 2.331 828 N HA -0.128 4.613 4.740 0.002 0.000 0.180 828 N C 1.760 177.250 175.510 -0.032 0.000 1.019 828 N CA 0.973 54.003 53.050 -0.034 0.000 0.881 828 N CB -0.134 38.339 38.487 -0.023 0.000 0.972 828 N HN 0.644 nan 8.380 nan 0.000 0.435 829 K N -1.669 118.711 120.400 -0.033 0.000 2.365 829 K HA -0.058 4.263 4.320 0.002 0.000 0.197 829 K C 2.048 178.626 176.600 -0.037 0.000 1.042 829 K CA 1.138 57.408 56.287 -0.027 0.000 0.987 829 K CB -0.409 32.081 32.500 -0.017 0.000 0.779 829 K HN 0.342 nan 8.250 nan 0.000 0.484 830 Y N 1.741 122.013 120.300 -0.047 0.000 2.301 830 Y HA 0.276 4.827 4.550 0.002 0.000 0.295 830 Y C 1.987 177.841 175.900 -0.078 0.000 1.126 830 Y CA 0.173 58.239 58.100 -0.057 0.000 1.154 830 Y CB -0.356 38.075 38.460 -0.049 0.000 1.075 830 Y HN -0.016 nan 8.280 nan 0.000 0.534 831 L N 0.638 121.819 121.223 -0.070 0.000 2.711 831 L HA -0.021 4.320 4.340 0.002 0.000 0.242 831 L C 1.901 178.733 176.870 -0.064 0.000 1.153 831 L CA 0.859 55.654 54.840 -0.075 0.000 0.898 831 L CB -0.109 41.909 42.059 -0.068 0.000 1.044 831 L HN 0.338 nan 8.230 nan 0.000 0.437 832 K N 0.391 120.755 120.400 -0.061 0.000 2.108 832 K HA 0.036 4.357 4.320 0.002 0.000 0.204 832 K C 0.845 177.412 176.600 -0.054 0.000 1.036 832 K CA 0.675 56.938 56.287 -0.041 0.000 0.965 832 K CB -0.003 32.481 32.500 -0.026 0.000 0.804 832 K HN 0.152 nan 8.250 nan 0.000 0.454 833 T N 1.855 116.365 114.554 -0.074 0.000 2.737 833 T HA 0.359 4.710 4.350 0.002 0.000 0.296 833 T C 0.773 175.355 174.700 -0.196 0.000 0.922 833 T CA -0.699 61.350 62.100 -0.084 0.000 1.079 833 T CB -0.315 68.517 68.868 -0.059 0.000 0.892 833 T HN 0.255 nan 8.240 nan 0.000 0.514 834 I N 1.047 121.485 120.570 -0.219 0.000 2.532 834 I HA 0.426 4.597 4.170 0.002 0.000 0.292 834 I C 0.470 176.391 176.117 -0.327 0.000 1.014 834 I CA -1.312 59.676 61.300 -0.519 0.000 1.340 834 I CB 1.080 38.861 38.000 -0.365 0.000 1.422 834 I HN 0.612 nan 8.210 nan 0.000 0.528 835 M N 6.416 125.727 119.600 -0.482 0.000 2.307 835 M HA 0.306 4.787 4.480 0.002 0.000 0.346 835 M C -2.333 174.198 176.300 0.385 0.000 1.552 835 M CA -1.248 54.067 55.300 0.026 0.000 1.116 835 M CB 0.248 32.937 32.600 0.148 0.000 1.889 835 M HN 0.436 nan 8.290 nan 0.000 0.460 836 P HA 0.072 nan 4.420 nan 0.000 0.276 836 P C -1.111 176.434 177.300 0.408 0.000 1.230 836 P CA -0.227 63.076 63.100 0.339 0.000 0.776 836 P CB 0.255 32.080 31.700 0.208 0.000 0.888 837 F N 3.191 123.229 119.950 0.147 0.000 2.495 837 F HA 0.296 4.825 4.527 0.003 0.000 0.365 837 F C 0.036 175.904 175.800 0.113 0.000 1.090 837 F CA -0.058 57.854 58.000 -0.147 0.000 1.235 837 F CB 0.229 38.874 39.000 -0.592 0.000 1.119 837 F HN 0.203 nan 8.300 nan 0.000 0.562 838 D N 5.765 125.679 120.400 -0.811 0.000 2.602 838 D HA 0.146 4.787 4.640 0.002 0.000 0.245 838 D C 0.329 176.028 176.300 -1.003 0.000 1.325 838 D CA -0.512 53.098 54.000 -0.651 0.000 0.952 838 D CB 1.147 41.842 40.800 -0.175 0.000 1.317 838 D HN 0.537 nan 8.370 nan 0.000 0.577 839 L N 3.534 123.857 121.223 -1.501 0.000 2.079 839 L HA -0.108 4.233 4.340 0.002 0.000 0.210 839 L C 2.009 178.669 176.870 -0.350 0.000 1.081 839 L CA 2.430 56.728 54.840 -0.902 0.000 0.752 839 L CB -0.584 40.777 42.059 -1.164 0.000 0.896 839 L HN 0.575 nan 8.230 nan 0.000 0.433 840 S N -1.194 114.329 115.700 -0.295 0.000 2.493 840 S HA -0.157 4.314 4.470 0.002 0.000 0.243 840 S C 1.859 176.355 174.600 -0.173 0.000 0.991 840 S CA 1.113 59.229 58.200 -0.139 0.000 0.957 840 S CB -0.767 62.393 63.200 -0.066 0.000 0.756 840 S HN 0.400 nan 8.310 nan 0.000 0.521 841 I N 0.518 120.905 120.570 -0.305 0.000 2.333 841 I HA 0.024 4.195 4.170 0.002 0.000 0.246 841 I C 1.663 177.477 176.117 -0.506 0.000 1.106 841 I CA 0.873 61.899 61.300 -0.457 0.000 1.411 841 I CB -1.527 36.038 38.000 -0.725 0.000 1.082 841 I HN 0.296 nan 8.210 nan 0.000 0.420 842 Y N 0.458 120.755 120.300 -0.005 0.000 2.490 842 Y HA 0.192 4.744 4.550 0.003 0.000 0.281 842 Y C 1.153 177.082 175.900 0.049 0.000 1.174 842 Y CA 0.066 58.199 58.100 0.055 0.000 1.295 842 Y CB -0.062 38.473 38.460 0.124 0.000 1.062 842 Y HN 0.103 nan 8.280 nan 0.000 0.522 843 T N -0.331 114.272 114.554 0.082 0.000 2.775 843 T HA 0.283 4.634 4.350 0.002 0.000 0.320 843 T C -0.934 173.784 174.700 0.030 0.000 1.597 843 T CA -0.650 61.498 62.100 0.080 0.000 1.022 843 T CB 0.538 69.488 68.868 0.136 0.000 1.485 843 T HN 0.249 nan 8.240 nan 0.000 0.494 844 N N 0.470 119.193 118.700 0.039 0.000 2.184 844 N HA 0.199 4.940 4.740 0.002 0.000 0.234 844 N C -0.569 174.971 175.510 0.050 0.000 1.282 844 N CA -0.566 52.500 53.050 0.027 0.000 0.877 844 N CB 0.506 38.997 38.487 0.006 0.000 1.184 844 N HN 0.566 nan 8.380 nan 0.000 0.510 845 D N 0.898 121.342 120.400 0.074 0.000 2.382 845 D HA 0.006 4.647 4.640 0.002 0.000 0.259 845 D C 0.452 176.804 176.300 0.088 0.000 1.224 845 D CA 0.408 54.460 54.000 0.086 0.000 0.894 845 D CB 1.124 41.987 40.800 0.106 0.000 1.127 845 D HN 0.141 nan 8.370 nan 0.000 0.487 846 T N 4.832 119.432 114.554 0.077 0.000 2.665 846 T HA -0.170 4.181 4.350 0.002 0.000 0.268 846 T C 1.952 176.711 174.700 0.098 0.000 1.035 846 T CA 0.741 62.888 62.100 0.079 0.000 1.151 846 T CB 0.083 68.991 68.868 0.067 0.000 0.862 846 T HN 0.513 nan 8.240 nan 0.000 0.438 847 I N 1.119 121.751 120.570 0.102 0.000 2.163 847 I HA -0.092 4.079 4.170 0.002 0.000 0.243 847 I C 2.401 178.607 176.117 0.149 0.000 1.085 847 I CA 1.293 62.663 61.300 0.116 0.000 1.347 847 I CB -1.539 36.526 38.000 0.107 0.000 1.044 847 I HN 0.278 nan 8.210 nan 0.000 0.408 848 L N -0.004 121.315 121.223 0.160 0.000 2.093 848 L HA -0.167 4.174 4.340 0.002 0.000 0.208 848 L C 2.581 179.591 176.870 0.232 0.000 1.085 848 L CA 0.803 55.775 54.840 0.221 0.000 0.755 848 L CB -0.396 41.796 42.059 0.221 0.000 0.904 848 L HN 0.143 nan 8.230 nan 0.000 0.435 849 I N 0.076 120.752 120.570 0.176 0.000 2.226 849 I HA -0.236 3.935 4.170 0.002 0.000 0.245 849 I C 2.423 178.673 176.117 0.222 0.000 1.100 849 I CA 1.511 62.921 61.300 0.183 0.000 1.374 849 I CB -1.026 37.047 38.000 0.122 0.000 1.057 849 I HN 0.367 nan 8.210 nan 0.000 0.413 850 E N 0.392 120.697 120.200 0.175 0.000 2.077 850 E HA -0.205 4.146 4.350 0.002 0.000 0.193 850 E C 2.328 179.039 176.600 0.186 0.000 0.989 850 E CA 1.147 57.641 56.400 0.156 0.000 0.800 850 E CB -0.145 29.629 29.700 0.123 0.000 0.746 850 E HN 0.436 nan 8.360 nan 0.000 0.452 851 M N -0.064 119.670 119.600 0.223 0.000 2.080 851 M HA -0.183 4.298 4.480 0.002 0.000 0.260 851 M C 2.194 178.672 176.300 0.297 0.000 1.068 851 M CA 1.407 56.857 55.300 0.250 0.000 1.109 851 M CB -0.288 32.489 32.600 0.296 0.000 1.342 851 M HN 0.098 nan 8.290 nan 0.000 0.405 852 F N 1.525 121.559 119.950 0.140 0.000 2.146 852 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 852 F C 2.121 178.002 175.800 0.134 0.000 1.096 852 F CA 1.519 59.587 58.000 0.112 0.000 1.275 852 F CB -0.410 38.632 39.000 0.068 0.000 1.008 852 F HN 0.168 nan 8.300 nan 0.000 0.480 853 N N 0.432 119.228 118.700 0.161 0.000 2.216 853 N HA -0.160 4.581 4.740 0.002 0.000 0.183 853 N C 1.881 177.406 175.510 0.024 0.000 1.017 853 N CA 1.068 54.142 53.050 0.040 0.000 0.861 853 N CB -0.470 38.071 38.487 0.089 0.000 0.986 853 N HN 0.346 nan 8.380 nan 0.000 0.428 854 K N 0.079 120.527 120.400 0.080 0.000 2.026 854 K HA -0.166 4.155 4.320 0.002 0.000 0.208 854 K C 2.066 178.698 176.600 0.054 0.000 1.048 854 K CA 0.930 57.258 56.287 0.068 0.000 0.929 854 K CB -0.286 32.273 32.500 0.098 0.000 0.713 854 K HN 0.070 nan 8.250 nan 0.000 0.439 855 Y N 2.008 122.285 120.300 -0.039 0.000 2.114 855 Y HA -0.274 4.275 4.550 -0.002 0.000 0.282 855 Y C 1.708 177.541 175.900 -0.111 0.000 1.165 855 Y CA 2.077 60.138 58.100 -0.065 0.000 1.148 855 Y CB -0.166 38.249 38.460 -0.076 0.000 0.972 855 Y HN 0.231 nan 8.280 nan 0.000 0.504 856 N N -0.411 118.265 118.700 -0.040 0.000 2.550 856 N HA -0.095 4.646 4.740 0.002 0.000 0.186 856 N C 1.763 177.219 175.510 -0.091 0.000 1.110 856 N CA 1.132 54.115 53.050 -0.112 0.000 0.912 856 N CB -0.242 38.106 38.487 -0.231 0.000 0.968 856 N HN 0.531 nan 8.380 nan 0.000 0.448 857 S N -0.365 115.290 115.700 -0.075 0.000 2.486 857 S HA 0.092 4.563 4.470 0.002 0.000 0.220 857 S C 0.614 175.176 174.600 -0.063 0.000 1.011 857 S CA -0.119 58.050 58.200 -0.051 0.000 0.921 857 S CB 0.017 63.201 63.200 -0.027 0.000 0.785 857 S HN 0.126 nan 8.310 nan 0.000 0.517 858 E N 1.210 121.348 120.200 -0.103 0.000 2.104 858 E HA 0.238 4.589 4.350 0.002 0.000 0.278 858 E C 0.478 177.018 176.600 -0.100 0.000 1.127 858 E CA -0.314 56.022 56.400 -0.108 0.000 0.897 858 E CB 0.715 30.326 29.700 -0.149 0.000 1.043 858 E HN 0.227 nan 8.360 nan 0.000 0.410 859 I N 4.175 124.721 120.570 -0.040 0.000 2.236 859 I HA -0.338 3.833 4.170 0.002 0.000 0.249 859 I C 1.538 177.715 176.117 0.101 0.000 1.102 859 I CA 1.538 62.851 61.300 0.022 0.000 1.365 859 I CB 0.027 38.028 38.000 0.003 0.000 1.051 859 I HN 0.654 nan 8.210 nan 0.000 0.420 860 L N 0.120 121.371 121.223 0.046 0.000 2.261 860 L HA -0.203 4.138 4.340 0.002 0.000 0.216 860 L C 1.693 178.526 176.870 -0.062 0.000 1.114 860 L CA 0.911 55.772 54.840 0.035 0.000 0.777 860 L CB -0.950 41.103 42.059 -0.010 0.000 0.910 860 L HN 0.359 nan 8.230 nan 0.000 0.440 861 N N 0.005 118.617 118.700 -0.146 0.000 2.515 861 N HA -0.072 4.669 4.740 0.002 0.000 0.185 861 N C 1.063 176.559 175.510 -0.024 0.000 1.109 861 N CA 0.476 53.392 53.050 -0.222 0.000 0.903 861 N CB -0.066 38.015 38.487 -0.677 0.000 0.969 861 N HN 0.360 nan 8.380 nan 0.000 0.450 862 N N 0.682 119.408 118.700 0.044 0.000 2.383 862 N HA 0.120 4.861 4.740 0.002 0.000 0.192 862 N C 0.013 175.557 175.510 0.056 0.000 1.141 862 N CA 0.040 53.165 53.050 0.126 0.000 0.851 862 N CB 0.773 39.390 38.487 0.216 0.000 0.976 862 N HN 0.262 nan 8.380 nan 0.000 0.465 863 I N 2.113 122.617 120.570 -0.111 0.000 2.379 863 I HA 0.074 4.245 4.170 0.002 0.000 0.290 863 I C 1.439 177.522 176.117 -0.057 0.000 1.063 863 I CA -0.059 61.023 61.300 -0.363 0.000 1.351 863 I CB 0.697 38.422 38.000 -0.457 0.000 1.410 863 I HN 0.003 nan 8.210 nan 0.000 0.505 864 I N 4.726 125.234 120.570 -0.104 0.000 4.025 864 I HA 0.407 4.578 4.170 0.002 0.000 0.336 864 I C -0.425 175.700 176.117 0.013 0.000 1.390 864 I CA -0.030 61.236 61.300 -0.057 0.000 1.099 864 I CB 0.668 38.432 38.000 -0.393 0.000 1.049 864 I HN 0.386 nan 8.210 nan 0.000 0.394 865 L N 1.477 122.707 121.223 0.011 0.000 2.705 865 L HA 0.545 4.886 4.340 0.002 0.000 0.260 865 L C -2.048 174.864 176.870 0.070 0.000 0.921 865 L CA -0.205 54.698 54.840 0.104 0.000 0.948 865 L CB 1.953 44.145 42.059 0.222 0.000 1.427 865 L HN 0.135 nan 8.230 nan 0.000 0.432 866 N N 5.055 123.820 118.700 0.109 0.000 2.701 866 N HA 0.365 5.106 4.740 0.002 0.000 0.258 866 N C -1.743 173.870 175.510 0.173 0.000 1.262 866 N CA -0.263 52.852 53.050 0.108 0.000 0.780 866 N CB 1.211 39.705 38.487 0.011 0.000 1.380 866 N HN 0.650 nan 8.380 nan 0.000 0.548 867 L N 3.401 124.793 121.223 0.281 0.000 2.369 867 L HA 0.398 4.739 4.340 0.002 0.000 0.279 867 L C 0.492 177.529 176.870 0.278 0.000 1.108 867 L CA -0.179 54.806 54.840 0.242 0.000 0.852 867 L CB 0.280 42.484 42.059 0.241 0.000 1.169 867 L HN 0.127 nan 8.230 nan 0.000 0.452 868 R N 2.520 123.141 120.500 0.202 0.000 2.795 868 R HA 0.329 4.670 4.340 0.002 0.000 0.275 868 R C -1.059 175.368 176.300 0.212 0.000 0.981 868 R CA -1.049 55.199 56.100 0.246 0.000 0.917 868 R CB 1.759 32.181 30.300 0.204 0.000 1.202 868 R HN 0.355 nan 8.270 nan 0.000 0.469 869 Y N 1.616 121.983 120.300 0.113 0.000 2.309 869 Y HA 0.291 4.845 4.550 0.006 0.000 0.327 869 Y C -0.542 175.388 175.900 0.050 0.000 1.172 869 Y CA 0.378 58.521 58.100 0.072 0.000 1.280 869 Y CB 0.790 39.299 38.460 0.080 0.000 1.234 869 Y HN 0.152 nan 8.280 nan 0.000 0.512 870 K N 5.492 125.616 120.400 -0.460 0.000 2.606 870 K HA 0.116 4.437 4.320 0.002 0.000 0.259 870 K C -1.761 174.534 176.600 -0.507 0.000 1.001 870 K CA -0.647 55.443 56.287 -0.329 0.000 0.881 870 K CB 1.332 33.753 32.500 -0.132 0.000 1.288 870 K HN 0.913 nan 8.250 nan 0.000 0.452 871 D N 2.392 122.535 120.400 -0.428 0.000 3.400 871 D HA -0.215 4.426 4.640 0.002 0.000 0.226 871 D C 0.237 176.302 176.300 -0.393 0.000 1.152 871 D CA 0.484 54.311 54.000 -0.289 0.000 1.008 871 D CB -0.494 40.214 40.800 -0.154 0.000 0.866 871 D HN 0.728 nan 8.370 nan 0.000 0.402 872 N N 1.142 119.571 118.700 -0.451 0.000 2.704 872 N HA -0.284 4.457 4.740 0.002 0.000 0.259 872 N C -0.502 174.861 175.510 -0.243 0.000 0.957 872 N CA 1.571 54.488 53.050 -0.221 0.000 0.804 872 N CB -0.633 37.849 38.487 -0.008 0.000 0.917 872 N HN 0.758 nan 8.380 nan 0.000 0.545 873 N N -0.809 117.619 118.700 -0.454 0.000 3.046 873 N HA 0.376 5.117 4.740 0.002 0.000 0.243 873 N C -1.473 173.905 175.510 -0.219 0.000 1.452 873 N CA -0.627 52.276 53.050 -0.245 0.000 0.882 873 N CB 1.109 39.475 38.487 -0.201 0.000 1.425 873 N HN -0.036 nan 8.380 nan 0.000 0.517 874 L N 2.842 123.984 121.223 -0.134 0.000 2.329 874 L HA 0.666 5.007 4.340 0.002 0.000 0.279 874 L C -0.469 176.346 176.870 -0.092 0.000 1.014 874 L CA -0.717 54.070 54.840 -0.088 0.000 0.814 874 L CB 1.408 43.372 42.059 -0.159 0.000 1.257 874 L HN 0.504 nan 8.230 nan 0.000 0.424 875 I N -1.472 119.073 120.570 -0.043 0.000 2.894 875 I HA 0.506 4.677 4.170 0.002 0.000 0.302 875 I C -1.219 174.904 176.117 0.010 0.000 1.188 875 I CA -0.948 60.331 61.300 -0.035 0.000 1.014 875 I CB 2.329 40.299 38.000 -0.051 0.000 1.242 875 I HN 0.368 nan 8.210 nan 0.000 0.430 876 D N 3.764 124.173 120.400 0.015 0.000 2.312 876 D HA 0.359 5.000 4.640 0.002 0.000 0.252 876 D C 0.004 176.309 176.300 0.009 0.000 1.150 876 D CA -0.065 53.962 54.000 0.043 0.000 0.870 876 D CB 1.277 42.114 40.800 0.061 0.000 1.153 876 D HN 0.668 nan 8.370 nan 0.000 0.457 877 L N 2.944 124.171 121.223 0.007 0.000 2.808 877 L HA 0.064 4.405 4.340 0.002 0.000 0.246 877 L C 1.913 178.740 176.870 -0.071 0.000 1.153 877 L CA -0.026 54.790 54.840 -0.040 0.000 0.956 877 L CB 0.031 42.071 42.059 -0.031 0.000 1.270 877 L HN 0.444 nan 8.230 nan 0.000 0.528 878 S N -0.460 115.217 115.700 -0.038 0.000 2.442 878 S HA -0.066 4.405 4.470 0.002 0.000 0.236 878 S C 1.676 176.172 174.600 -0.172 0.000 1.007 878 S CA 0.905 59.072 58.200 -0.055 0.000 0.965 878 S CB -0.092 63.150 63.200 0.071 0.000 0.773 878 S HN 0.555 nan 8.310 nan 0.000 0.504 879 G N -0.237 108.460 108.800 -0.172 0.000 2.157 879 G HA2 -0.280 3.681 3.960 0.002 0.000 0.248 879 G HA3 -0.280 3.681 3.960 0.002 0.000 0.248 879 G C 0.214 174.901 174.900 -0.354 0.000 0.979 879 G CA 0.334 45.265 45.100 -0.280 0.000 0.650 879 G HN 0.617 nan 8.290 nan 0.000 0.529 880 Y N 0.341 120.598 120.300 -0.071 0.000 2.485 880 Y HA 0.384 4.939 4.550 0.008 0.000 0.260 880 Y C 2.115 177.982 175.900 -0.055 0.000 1.173 880 Y CA 0.490 58.550 58.100 -0.067 0.000 1.252 880 Y CB 0.826 39.249 38.460 -0.061 0.000 1.123 880 Y HN 0.843 nan 8.280 nan 0.000 0.524 881 G N 0.757 109.586 108.800 0.049 0.000 2.168 881 G HA2 -0.310 3.651 3.960 0.002 0.000 0.257 881 G HA3 -0.310 3.651 3.960 0.002 0.000 0.257 881 G C 0.438 175.362 174.900 0.040 0.000 0.997 881 G CA 0.020 45.134 45.100 0.023 0.000 0.708 881 G HN 0.615 nan 8.290 nan 0.000 0.520 882 A N -0.033 122.828 122.820 0.068 0.000 2.584 882 A HA 0.435 4.756 4.320 0.002 0.000 0.239 882 A C 0.809 178.418 177.584 0.041 0.000 1.043 882 A CA 0.608 52.687 52.037 0.070 0.000 0.756 882 A CB 0.340 19.402 19.000 0.103 0.000 0.963 882 A HN 0.307 nan 8.150 nan 0.000 0.511 883 K N 2.239 122.660 120.400 0.034 0.000 2.276 883 K HA 0.406 4.727 4.320 0.002 0.000 0.285 883 K C -0.868 175.737 176.600 0.008 0.000 1.062 883 K CA -0.294 55.999 56.287 0.009 0.000 0.918 883 K CB 1.370 33.873 32.500 0.006 0.000 1.055 883 K HN 0.345 nan 8.250 nan 0.000 0.477 884 V N 3.258 123.157 119.914 -0.024 0.000 2.384 884 V HA 0.173 4.295 4.120 0.002 0.000 0.287 884 V C 0.080 176.109 176.094 -0.107 0.000 1.020 884 V CA -0.747 61.522 62.300 -0.051 0.000 0.850 884 V CB 1.575 33.357 31.823 -0.068 0.000 0.987 884 V HN 0.542 nan 8.190 nan 0.000 0.436 885 E N 3.732 123.859 120.200 -0.122 0.000 2.073 885 E HA 0.368 4.719 4.350 0.002 0.000 0.269 885 E C -1.083 175.310 176.600 -0.345 0.000 0.917 885 E CA -0.287 55.955 56.400 -0.263 0.000 0.757 885 E CB 1.983 31.530 29.700 -0.255 0.000 1.111 885 E HN 0.434 nan 8.360 nan 0.000 0.410 886 V N 5.589 125.285 119.914 -0.363 0.000 2.333 886 V HA 0.222 4.343 4.120 0.002 0.000 0.274 886 V C -0.254 175.650 176.094 -0.317 0.000 1.028 886 V CA -0.638 61.498 62.300 -0.273 0.000 0.851 886 V CB -0.147 31.553 31.823 -0.206 0.000 1.000 886 V HN 0.475 nan 8.190 nan 0.000 0.456 887 Y N 1.821 122.084 120.300 -0.062 0.000 2.298 887 Y HA 0.136 4.689 4.550 0.005 0.000 0.329 887 Y C 1.540 177.419 175.900 -0.035 0.000 1.293 887 Y CA -0.240 57.836 58.100 -0.040 0.000 1.388 887 Y CB 0.414 38.856 38.460 -0.030 0.000 1.309 887 Y HN 0.609 nan 8.280 nan 0.000 0.544 888 D N 0.868 121.350 120.400 0.135 0.000 2.280 888 D HA -0.155 4.486 4.640 0.002 0.000 0.206 888 D C 1.947 178.277 176.300 0.049 0.000 0.988 888 D CA 1.805 55.845 54.000 0.066 0.000 0.886 888 D CB -0.096 40.740 40.800 0.059 0.000 0.914 888 D HN 0.832 nan 8.370 nan 0.000 0.473 889 G N -0.901 107.936 108.800 0.062 0.000 2.985 889 G HA2 0.072 4.033 3.960 0.002 0.000 0.209 889 G HA3 0.072 4.033 3.960 0.002 0.000 0.209 889 G C 0.311 175.217 174.900 0.011 0.000 1.165 889 G CA -0.167 44.949 45.100 0.026 0.000 0.776 889 G HN 0.096 nan 8.290 nan 0.000 0.541 890 V N 1.035 120.963 119.914 0.024 0.000 2.432 890 V HA 0.244 4.365 4.120 0.002 0.000 0.275 890 V C 0.020 176.123 176.094 0.017 0.000 1.043 890 V CA -0.836 61.471 62.300 0.012 0.000 0.925 890 V CB 1.610 33.428 31.823 -0.008 0.000 0.985 890 V HN 0.309 nan 8.190 nan 0.000 0.466 891 E N 4.983 125.180 120.200 -0.005 0.000 2.227 891 E HA 0.585 4.936 4.350 0.002 0.000 0.282 891 E C -1.385 175.314 176.600 0.165 0.000 1.015 891 E CA -0.457 55.965 56.400 0.036 0.000 0.823 891 E CB 1.068 30.733 29.700 -0.059 0.000 1.081 891 E HN 0.564 nan 8.360 nan 0.000 0.396 892 L N 3.891 125.240 121.223 0.210 0.000 2.388 892 L HA 0.506 4.847 4.340 0.002 0.000 0.264 892 L C -0.610 176.393 176.870 0.222 0.000 0.998 892 L CA -1.060 53.953 54.840 0.290 0.000 0.817 892 L CB 1.959 44.212 42.059 0.323 0.000 1.338 892 L HN 0.625 nan 8.230 nan 0.000 0.414 893 N N -1.627 117.113 118.700 0.067 0.000 2.647 893 N HA 0.254 4.995 4.740 0.002 0.000 0.266 893 N C -0.559 174.471 175.510 -0.800 0.000 1.373 893 N CA -0.949 51.978 53.050 -0.204 0.000 0.807 893 N CB 0.808 39.250 38.487 -0.076 0.000 1.513 893 N HN 0.541 nan 8.380 nan 0.000 0.505 894 D N -1.178 118.737 120.400 -0.808 0.000 2.378 894 D HA -0.025 4.616 4.640 0.002 0.000 0.227 894 D C 0.196 176.240 176.300 -0.426 0.000 1.012 894 D CA 0.671 54.153 54.000 -0.863 0.000 0.905 894 D CB 0.007 40.595 40.800 -0.355 0.000 0.895 894 D HN 0.566 nan 8.370 nan 0.000 0.532 895 K N 0.125 120.311 120.400 -0.356 0.000 2.410 895 K HA 0.110 4.432 4.320 0.002 0.000 0.200 895 K C 0.026 176.430 176.600 -0.327 0.000 1.023 895 K CA -0.290 55.826 56.287 -0.286 0.000 1.149 895 K CB -0.031 32.297 32.500 -0.286 0.000 0.859 895 K HN 0.014 nan 8.250 nan 0.000 0.514 896 N N 2.334 120.872 118.700 -0.271 0.000 2.747 896 N HA -0.181 4.560 4.740 0.002 0.000 0.249 896 N C -1.075 174.394 175.510 -0.069 0.000 1.107 896 N CA 1.002 53.976 53.050 -0.127 0.000 0.707 896 N CB -0.690 37.680 38.487 -0.194 0.000 1.054 896 N HN 0.475 nan 8.380 nan 0.000 0.555 897 Q N 0.173 119.976 119.800 0.005 0.000 2.282 897 Q HA 0.593 4.934 4.340 0.002 0.000 0.260 897 Q C -0.264 176.057 176.000 0.536 0.000 0.964 897 Q CA -0.613 55.323 55.803 0.222 0.000 0.880 897 Q CB 1.049 29.901 28.738 0.190 0.000 1.286 897 Q HN 0.315 nan 8.270 nan 0.000 0.445 898 F N -0.951 119.309 119.950 0.518 0.000 2.565 898 F HA 0.659 5.188 4.527 0.002 0.000 0.313 898 F C -0.949 174.953 175.800 0.171 0.000 1.091 898 F CA -1.237 56.957 58.000 0.324 0.000 0.915 898 F CB 1.432 40.525 39.000 0.155 0.000 1.208 898 F HN 0.235 nan 8.300 nan 0.000 0.453 899 K N 4.331 124.673 120.400 -0.097 0.000 2.244 899 K HA 0.641 4.962 4.320 0.002 0.000 0.260 899 K C -1.725 174.756 176.600 -0.200 0.000 0.951 899 K CA -0.669 55.221 56.287 -0.661 0.000 0.826 899 K CB 1.369 32.802 32.500 -1.778 0.000 1.108 899 K HN 0.932 nan 8.250 nan 0.000 0.433 900 L N 4.437 125.612 121.223 -0.080 0.000 2.287 900 L HA 0.336 4.677 4.340 0.002 0.000 0.287 900 L C 0.569 177.447 176.870 0.014 0.000 1.022 900 L CA -0.685 54.182 54.840 0.046 0.000 0.814 900 L CB 1.515 43.673 42.059 0.166 0.000 1.217 900 L HN 0.830 nan 8.230 nan 0.000 0.420 901 T N -1.960 112.591 114.554 -0.006 0.000 2.893 901 T HA 0.209 4.560 4.350 0.002 0.000 0.279 901 T C 1.130 175.840 174.700 0.016 0.000 0.991 901 T CA -0.039 62.068 62.100 0.011 0.000 0.950 901 T CB 1.454 70.301 68.868 -0.035 0.000 1.223 901 T HN 0.532 nan 8.240 nan 0.000 0.585 902 S N -0.559 115.144 115.700 0.005 0.000 2.561 902 S HA 0.128 4.599 4.470 0.002 0.000 0.225 902 S C 0.822 175.410 174.600 -0.019 0.000 0.977 902 S CA -0.464 57.724 58.200 -0.020 0.000 0.926 902 S CB -0.628 62.554 63.200 -0.031 0.000 0.769 902 S HN 0.607 nan 8.310 nan 0.000 0.533 903 S N 1.662 117.353 115.700 -0.015 0.000 2.562 903 S HA 0.537 5.008 4.470 0.002 0.000 0.281 903 S C 1.476 176.063 174.600 -0.023 0.000 1.333 903 S CA -0.020 58.170 58.200 -0.018 0.000 1.052 903 S CB 1.046 64.237 63.200 -0.015 0.000 0.884 903 S HN 0.595 nan 8.310 nan 0.000 0.506 904 A N 2.755 125.555 122.820 -0.033 0.000 2.019 904 A HA -0.141 4.180 4.320 0.002 0.000 0.219 904 A C 1.689 179.230 177.584 -0.071 0.000 1.164 904 A CA 1.528 53.535 52.037 -0.051 0.000 0.644 904 A CB -0.579 18.387 19.000 -0.056 0.000 0.805 904 A HN 0.862 nan 8.150 nan 0.000 0.449 905 N N -0.692 117.980 118.700 -0.048 0.000 2.314 905 N HA 0.047 4.788 4.740 0.002 0.000 0.200 905 N C 0.166 175.686 175.510 0.016 0.000 1.135 905 N CA 0.747 53.773 53.050 -0.039 0.000 0.835 905 N CB -0.350 38.139 38.487 0.004 0.000 0.989 905 N HN 0.100 nan 8.380 nan 0.000 0.478 906 S N 0.311 116.015 115.700 0.006 0.000 3.681 906 S HA 0.231 4.702 4.470 0.002 0.000 0.203 906 S C -0.462 174.170 174.600 0.054 0.000 1.408 906 S CA -0.798 57.422 58.200 0.033 0.000 0.942 906 S CB -0.562 62.647 63.200 0.016 0.000 1.437 906 S HN 0.548 nan 8.310 nan 0.000 0.482 907 K N 1.842 122.293 120.400 0.086 0.000 2.533 907 K HA 0.663 4.984 4.320 0.002 0.000 0.272 907 K C -1.507 175.223 176.600 0.216 0.000 0.985 907 K CA -0.997 55.359 56.287 0.114 0.000 0.876 907 K CB 1.231 33.737 32.500 0.011 0.000 1.452 907 K HN 0.281 nan 8.250 nan 0.000 0.439 908 I N 1.113 121.794 120.570 0.185 0.000 2.545 908 I HA 0.436 4.607 4.170 0.002 0.000 0.292 908 I C -0.686 175.567 176.117 0.228 0.000 1.040 908 I CA -0.941 60.421 61.300 0.103 0.000 1.068 908 I CB 2.222 40.060 38.000 -0.270 0.000 1.251 908 I HN 0.574 nan 8.210 nan 0.000 0.424 909 R N 5.290 125.913 120.500 0.205 0.000 2.343 909 R HA 0.719 5.060 4.340 0.002 0.000 0.320 909 R C -1.806 174.573 176.300 0.131 0.000 0.956 909 R CA -0.482 55.736 56.100 0.196 0.000 0.836 909 R CB 1.754 32.199 30.300 0.242 0.000 1.151 909 R HN 0.478 nan 8.270 nan 0.000 0.450 910 V N 3.976 123.989 119.914 0.165 0.000 2.407 910 V HA 0.264 4.385 4.120 0.002 0.000 0.291 910 V C -0.316 175.854 176.094 0.127 0.000 1.018 910 V CA -0.628 61.764 62.300 0.154 0.000 0.842 910 V CB 1.987 33.966 31.823 0.260 0.000 0.996 910 V HN 0.787 nan 8.190 nan 0.000 0.426 911 T N 5.817 120.426 114.554 0.092 0.000 2.738 911 T HA 0.334 4.685 4.350 0.002 0.000 0.298 911 T C 0.111 174.865 174.700 0.089 0.000 0.962 911 T CA -0.297 61.849 62.100 0.077 0.000 0.972 911 T CB 0.484 69.383 68.868 0.052 0.000 0.928 911 T HN 0.653 nan 8.240 nan 0.000 0.474 912 Q N 2.291 122.155 119.800 0.107 0.000 2.471 912 Q HA 0.190 4.531 4.340 0.002 0.000 0.223 912 Q C 0.438 176.479 176.000 0.069 0.000 1.045 912 Q CA -0.689 55.179 55.803 0.108 0.000 0.956 912 Q CB 0.592 29.421 28.738 0.151 0.000 1.249 912 Q HN 0.451 nan 8.270 nan 0.000 0.549 913 N N 1.236 119.958 118.700 0.038 0.000 2.408 913 N HA -0.035 4.706 4.740 0.002 0.000 0.257 913 N C 0.226 175.744 175.510 0.014 0.000 1.064 913 N CA 0.114 53.175 53.050 0.019 0.000 0.952 913 N CB 0.906 39.393 38.487 -0.000 0.000 1.093 913 N HN 0.452 nan 8.380 nan 0.000 0.490 914 Q N 1.805 121.630 119.800 0.041 0.000 2.472 914 Q HA 0.048 4.389 4.340 0.002 0.000 0.208 914 Q C -0.178 175.861 176.000 0.064 0.000 0.958 914 Q CA 0.667 56.508 55.803 0.063 0.000 0.932 914 Q CB 0.091 28.865 28.738 0.060 0.000 1.007 914 Q HN 0.536 nan 8.270 nan 0.000 0.508 915 N N 0.675 119.398 118.700 0.037 0.000 2.378 915 N HA 0.212 4.953 4.740 0.002 0.000 0.243 915 N C -0.203 175.326 175.510 0.031 0.000 1.137 915 N CA 0.137 53.217 53.050 0.050 0.000 0.862 915 N CB 0.755 39.265 38.487 0.039 0.000 1.116 915 N HN 0.236 nan 8.380 nan 0.000 0.499 916 I N 0.615 121.180 120.570 -0.008 0.000 2.474 916 I HA 0.336 4.507 4.170 0.002 0.000 0.294 916 I C 0.722 176.886 176.117 0.079 0.000 1.005 916 I CA -0.873 60.388 61.300 -0.067 0.000 1.113 916 I CB 2.200 39.992 38.000 -0.345 0.000 1.289 916 I HN -0.178 nan 8.210 nan 0.000 0.436 917 I N 5.783 126.428 120.570 0.126 0.000 2.734 917 I HA -0.077 4.094 4.170 0.002 0.000 0.301 917 I C 0.950 177.210 176.117 0.239 0.000 1.127 917 I CA 0.788 62.206 61.300 0.196 0.000 2.292 917 I CB -0.571 37.556 38.000 0.212 0.000 1.590 917 I HN 0.683 nan 8.210 nan 0.000 1.053 918 F N 3.730 123.698 119.950 0.029 0.000 2.123 918 F HA -0.080 4.450 4.527 0.005 0.000 0.289 918 F C 1.755 177.547 175.800 -0.013 0.000 1.099 918 F CA 0.046 58.042 58.000 -0.007 0.000 1.234 918 F CB 0.309 39.289 39.000 -0.033 0.000 1.034 918 F HN 0.446 nan 8.300 nan 0.000 0.479 919 N N 1.820 120.575 118.700 0.092 0.000 2.938 919 N HA -0.097 4.644 4.740 0.002 0.000 0.286 919 N C 0.994 176.538 175.510 0.057 0.000 1.316 919 N CA 0.738 53.770 53.050 -0.031 0.000 1.063 919 N CB -0.563 37.921 38.487 -0.006 0.000 1.388 919 N HN 0.244 nan 8.380 nan 0.000 0.545 920 S N -0.995 114.771 115.700 0.110 0.000 2.559 920 S HA -0.109 4.363 4.470 0.002 0.000 0.250 920 S C 0.735 175.540 174.600 0.343 0.000 0.977 920 S CA -0.042 58.304 58.200 0.243 0.000 0.958 920 S CB -0.676 62.745 63.200 0.368 0.000 0.751 920 S HN 0.266 nan 8.310 nan 0.000 0.534 921 V N 0.856 120.905 119.914 0.225 0.000 6.244 921 V HA -0.188 3.933 4.120 0.002 0.000 0.295 921 V C -0.090 176.286 176.094 0.470 0.000 0.550 921 V CA 1.163 63.602 62.300 0.232 0.000 0.756 921 V CB -2.883 29.023 31.823 0.138 0.000 0.665 921 V HN 1.476 nan 8.190 nan 0.000 0.592 922 F N 0.421 120.366 119.950 -0.008 0.000 1.786 922 F HA 0.335 4.863 4.527 0.002 0.000 0.218 922 F C -0.687 175.129 175.800 0.027 0.000 1.058 922 F CA -0.497 57.510 58.000 0.012 0.000 2.527 922 F CB -1.286 37.727 39.000 0.022 0.000 3.509 922 F HN 1.068 nan 8.300 nan 0.000 0.244 923 L N 2.567 123.553 121.223 -0.395 0.000 3.121 923 L HA -0.048 4.293 4.340 0.002 0.000 0.581 923 L C -0.693 175.838 176.870 -0.565 0.000 1.002 923 L CA 1.392 55.988 54.840 -0.407 0.000 1.291 923 L CB -0.549 41.427 42.059 -0.138 0.000 1.409 923 L HN 0.719 nan 8.230 nan 0.000 0.691 924 D N 5.722 125.826 120.400 -0.493 0.000 2.375 924 D HA 0.629 5.270 4.640 0.002 0.000 0.259 924 D C -0.677 175.725 176.300 0.169 0.000 1.235 924 D CA 0.198 54.017 54.000 -0.302 0.000 0.924 924 D CB 0.293 40.792 40.800 -0.502 0.000 1.143 924 D HN 0.436 nan 8.370 nan 0.000 0.529 925 F N -0.200 119.708 119.950 -0.071 0.000 2.807 925 F HA 0.706 5.233 4.527 0.000 0.000 0.316 925 F C -1.737 174.033 175.800 -0.051 0.000 1.162 925 F CA -0.872 57.156 58.000 0.047 0.000 0.910 925 F CB 0.983 40.144 39.000 0.269 0.000 1.314 925 F HN 0.022 nan 8.300 nan 0.000 0.454 926 S N 0.991 116.441 115.700 -0.417 0.000 2.599 926 S HA 0.840 5.311 4.470 0.002 0.000 0.287 926 S C -1.492 172.779 174.600 -0.548 0.000 1.105 926 S CA -0.796 57.040 58.200 -0.608 0.000 0.899 926 S CB 2.209 65.153 63.200 -0.426 0.000 1.100 926 S HN 0.637 nan 8.310 nan 0.000 0.482 927 V N 2.261 121.797 119.914 -0.630 0.000 2.686 927 V HA 0.800 4.921 4.120 0.002 0.000 0.306 927 V C -0.613 175.258 176.094 -0.372 0.000 1.065 927 V CA -0.577 61.442 62.300 -0.468 0.000 0.894 927 V CB 1.880 33.378 31.823 -0.542 0.000 1.004 927 V HN 1.012 nan 8.190 nan 0.000 0.424 928 S N 4.433 119.998 115.700 -0.226 0.000 2.549 928 S HA 0.999 5.470 4.470 0.002 0.000 0.280 928 S C -1.051 173.569 174.600 0.034 0.000 1.109 928 S CA -0.645 57.383 58.200 -0.287 0.000 0.905 928 S CB 2.427 65.560 63.200 -0.111 0.000 1.081 928 S HN 1.443 nan 8.310 nan 0.000 0.477 929 F N -2.358 117.584 119.950 -0.013 0.000 2.829 929 F HA 0.755 5.282 4.527 0.001 0.000 0.319 929 F C -2.502 173.525 175.800 0.379 0.000 1.153 929 F CA -1.717 56.501 58.000 0.364 0.000 0.912 929 F CB 0.083 39.360 39.000 0.462 0.000 1.292 929 F HN 0.644 nan 8.300 nan 0.000 0.447 930 W N 2.879 124.600 121.300 0.702 0.000 2.570 930 W HA 0.816 5.477 4.660 0.002 0.000 0.337 930 W C -0.764 176.197 176.519 0.736 0.000 1.067 930 W CA -0.863 56.858 57.345 0.628 0.000 1.229 930 W CB 1.822 31.577 29.460 0.492 0.000 1.355 930 W HN 0.721 nan 8.180 nan 0.000 0.555 931 I N 2.152 123.148 120.570 0.709 0.000 2.752 931 I HA 0.459 4.630 4.170 0.002 0.000 0.295 931 I C -1.162 174.863 176.117 -0.152 0.000 1.219 931 I CA -1.312 60.179 61.300 0.318 0.000 1.030 931 I CB 1.901 40.039 38.000 0.230 0.000 1.259 931 I HN 0.438 nan 8.210 nan 0.000 0.423 932 R N 7.413 127.665 120.500 -0.414 0.000 2.388 932 R HA 0.614 4.955 4.340 0.002 0.000 0.314 932 R C -1.664 174.571 176.300 -0.107 0.000 0.959 932 R CA -0.456 55.364 56.100 -0.467 0.000 0.851 932 R CB 1.086 30.711 30.300 -1.125 0.000 1.168 932 R HN 0.544 nan 8.270 nan 0.000 0.472 933 I N 7.051 127.638 120.570 0.027 0.000 2.312 933 I HA 0.353 4.524 4.170 0.002 0.000 0.290 933 I C -1.759 174.412 176.117 0.090 0.000 1.008 933 I CA -2.405 58.965 61.300 0.117 0.000 1.226 933 I CB 1.590 39.762 38.000 0.286 0.000 1.371 933 I HN 0.420 nan 8.210 nan 0.000 0.468 934 P HA -0.039 nan 4.420 nan 0.000 0.269 934 P C -0.600 176.661 177.300 -0.065 0.000 1.217 934 P CA -0.271 62.725 63.100 -0.174 0.000 0.783 934 P CB 0.882 32.212 31.700 -0.616 0.000 0.898 935 K N 1.625 121.907 120.400 -0.196 0.000 2.219 935 K HA 0.062 4.383 4.320 0.002 0.000 0.258 935 K C -0.123 176.150 176.600 -0.545 0.000 1.008 935 K CA -0.407 55.588 56.287 -0.487 0.000 0.928 935 K CB 0.034 31.967 32.500 -0.946 0.000 0.983 935 K HN 0.398 nan 8.250 nan 0.000 0.484 936 Y N 0.835 120.828 120.300 -0.512 0.000 2.346 936 Y HA 0.245 4.796 4.550 0.002 0.000 0.330 936 Y C -0.239 175.403 175.900 -0.430 0.000 1.178 936 Y CA -1.117 56.594 58.100 -0.649 0.000 1.331 936 Y CB 0.298 37.944 38.460 -1.358 0.000 1.253 936 Y HN 0.183 nan 8.280 nan 0.000 0.529 937 K N 3.462 123.796 120.400 -0.111 0.000 2.379 937 K HA 0.044 4.365 4.320 0.002 0.000 0.284 937 K C 0.383 177.002 176.600 0.033 0.000 1.044 937 K CA -0.109 56.132 56.287 -0.078 0.000 0.974 937 K CB 0.486 32.968 32.500 -0.030 0.000 0.962 937 K HN 0.790 nan 8.250 nan 0.000 0.474 938 N N 2.355 121.091 118.700 0.062 0.000 2.137 938 N HA -0.210 4.531 4.740 0.002 0.000 0.190 938 N C 0.799 176.379 175.510 0.117 0.000 1.017 938 N CA 1.760 54.906 53.050 0.159 0.000 0.859 938 N CB -0.050 38.603 38.487 0.276 0.000 1.002 938 N HN 0.636 nan 8.380 nan 0.000 0.428 939 D N -1.283 119.166 120.400 0.082 0.000 2.347 939 D HA 0.035 4.676 4.640 0.002 0.000 0.213 939 D C 1.297 177.622 176.300 0.041 0.000 0.985 939 D CA 0.497 54.535 54.000 0.064 0.000 0.879 939 D CB -0.622 40.209 40.800 0.051 0.000 0.919 939 D HN 0.181 nan 8.370 nan 0.000 0.526 940 G N 0.076 108.897 108.800 0.035 0.000 3.605 940 G HA2 0.124 4.085 3.960 0.002 0.000 0.277 940 G HA3 0.124 4.085 3.960 0.002 0.000 0.277 940 G C 0.931 175.851 174.900 0.034 0.000 1.093 940 G CA -0.367 44.753 45.100 0.033 0.000 0.821 940 G HN 0.178 nan 8.290 nan 0.000 0.532 941 I N -0.001 120.564 120.570 -0.009 0.000 2.361 941 I HA -0.122 4.049 4.170 0.002 0.000 0.251 941 I C 2.397 178.464 176.117 -0.084 0.000 1.133 941 I CA 1.266 62.514 61.300 -0.087 0.000 1.413 941 I CB 0.201 38.106 38.000 -0.157 0.000 1.073 941 I HN 0.093 nan 8.210 nan 0.000 0.424 942 Q N 0.425 120.185 119.800 -0.066 0.000 2.046 942 Q HA -0.140 4.201 4.340 0.002 0.000 0.200 942 Q C 2.033 178.008 176.000 -0.041 0.000 0.975 942 Q CA 1.522 57.262 55.803 -0.105 0.000 0.836 942 Q CB -0.642 28.055 28.738 -0.068 0.000 0.896 942 Q HN 0.553 nan 8.270 nan 0.000 0.428 943 N N -0.119 118.592 118.700 0.018 0.000 2.331 943 N HA -0.132 4.609 4.740 0.002 0.000 0.180 943 N C 1.613 177.179 175.510 0.093 0.000 1.019 943 N CA 0.613 53.700 53.050 0.062 0.000 0.881 943 N CB -0.357 38.157 38.487 0.044 0.000 0.972 943 N HN 0.316 nan 8.380 nan 0.000 0.435 944 Y N 2.255 122.534 120.300 -0.034 0.000 2.145 944 Y HA -0.098 4.453 4.550 0.002 0.000 0.286 944 Y C 2.096 177.968 175.900 -0.046 0.000 1.145 944 Y CA 1.445 59.536 58.100 -0.016 0.000 1.148 944 Y CB -0.221 38.232 38.460 -0.011 0.000 0.981 944 Y HN 0.060 nan 8.280 nan 0.000 0.507 945 I N -2.361 118.229 120.570 0.033 0.000 3.428 945 I HA 0.016 4.187 4.170 0.002 0.000 0.286 945 I C 1.771 177.830 176.117 -0.098 0.000 1.287 945 I CA 1.383 62.611 61.300 -0.121 0.000 1.396 945 I CB -0.427 37.435 38.000 -0.229 0.000 1.062 945 I HN 0.182 nan 8.210 nan 0.000 0.471 946 H N 1.162 120.147 119.070 -0.141 0.000 2.481 946 H HA 0.301 4.858 4.556 0.002 0.000 0.291 946 H C 0.317 175.594 175.328 -0.085 0.000 1.009 946 H CA 0.073 56.053 56.048 -0.113 0.000 1.282 946 H CB 0.475 30.183 29.762 -0.090 0.000 1.457 946 H HN 0.197 nan 8.280 nan 0.000 0.525 947 N N 2.294 120.969 118.700 -0.043 0.000 2.411 947 N HA 0.027 4.768 4.740 0.002 0.000 0.259 947 N C -0.537 174.967 175.510 -0.009 0.000 1.103 947 N CA -0.049 52.971 53.050 -0.050 0.000 0.954 947 N CB 1.280 39.784 38.487 0.028 0.000 1.085 947 N HN 0.577 nan 8.380 nan 0.000 0.485 948 E N 2.637 122.797 120.200 -0.067 0.000 2.197 948 E HA 0.263 4.614 4.350 0.002 0.000 0.281 948 E C -1.292 175.338 176.600 0.050 0.000 0.995 948 E CA -0.766 55.589 56.400 -0.076 0.000 0.808 948 E CB 0.547 30.155 29.700 -0.154 0.000 1.093 948 E HN 0.548 nan 8.360 nan 0.000 0.394 949 Y N 0.348 120.597 120.300 -0.086 0.000 2.421 949 Y HA 0.446 4.997 4.550 0.001 0.000 0.339 949 Y C -0.528 175.350 175.900 -0.036 0.000 0.996 949 Y CA -1.284 56.781 58.100 -0.058 0.000 1.046 949 Y CB 1.147 39.577 38.460 -0.049 0.000 1.226 949 Y HN 0.237 nan 8.280 nan 0.000 0.445 950 T N 4.670 119.236 114.554 0.021 0.000 2.926 950 T HA 0.223 4.574 4.350 0.002 0.000 0.307 950 T C 1.240 175.954 174.700 0.023 0.000 1.059 950 T CA 0.198 62.280 62.100 -0.029 0.000 1.122 950 T CB 0.670 69.520 68.868 -0.030 0.000 0.972 950 T HN 0.846 nan 8.240 nan 0.000 0.545 951 I N -1.130 119.434 120.570 -0.010 0.000 4.338 951 I HA 0.489 4.660 4.170 0.002 0.000 0.315 951 I C -0.126 175.973 176.117 -0.029 0.000 1.262 951 I CA 0.050 61.374 61.300 0.040 0.000 1.298 951 I CB 0.617 38.647 38.000 0.050 0.000 1.257 951 I HN 0.356 nan 8.210 nan 0.000 0.444 952 I N 2.648 123.160 120.570 -0.096 0.000 2.500 952 I HA 0.356 4.527 4.170 0.002 0.000 0.286 952 I C -1.241 174.750 176.117 -0.210 0.000 1.063 952 I CA -0.300 60.836 61.300 -0.273 0.000 1.062 952 I CB 1.871 39.669 38.000 -0.336 0.000 1.223 952 I HN 0.183 nan 8.210 nan 0.000 0.435 953 N N 5.448 123.962 118.700 -0.310 0.000 2.314 953 N HA 0.456 5.197 4.740 0.002 0.000 0.294 953 N C -1.685 173.505 175.510 -0.535 0.000 1.029 953 N CA -0.324 52.519 53.050 -0.345 0.000 0.845 953 N CB 2.515 40.868 38.487 -0.224 0.000 1.321 953 N HN 0.612 nan 8.380 nan 0.000 0.481 954 C N 6.880 125.696 119.300 -0.806 0.000 2.801 954 C HA 0.544 5.005 4.460 0.002 0.000 0.296 954 C C -1.022 173.568 174.990 -0.666 0.000 1.054 954 C CA -0.527 57.937 59.018 -0.923 0.000 1.442 954 C CB -0.840 25.771 27.740 -1.881 0.000 1.860 954 C HN 0.633 nan 8.230 nan 0.000 0.459 955 M N 3.728 123.103 119.600 -0.375 0.000 2.602 955 M HA 0.577 5.059 4.480 0.002 0.000 0.312 955 M C -0.817 175.384 176.300 -0.165 0.000 1.181 955 M CA -0.396 54.752 55.300 -0.254 0.000 0.910 955 M CB 2.163 34.644 32.600 -0.199 0.000 1.723 955 M HN 0.614 nan 8.290 nan 0.000 0.459 956 K N 1.984 122.309 120.400 -0.125 0.000 2.616 956 K HA 0.295 4.616 4.320 0.002 0.000 0.255 956 K C -0.940 175.620 176.600 -0.067 0.000 0.995 956 K CA -0.216 56.023 56.287 -0.080 0.000 0.860 956 K CB 0.778 33.243 32.500 -0.058 0.000 1.264 956 K HN 0.763 nan 8.250 nan 0.000 0.451 957 N N 4.254 122.921 118.700 -0.056 0.000 2.738 957 N HA -0.196 4.545 4.740 0.002 0.000 0.249 957 N C -0.992 174.485 175.510 -0.054 0.000 1.047 957 N CA 1.158 54.180 53.050 -0.047 0.000 0.707 957 N CB -1.065 37.400 38.487 -0.037 0.000 0.937 957 N HN 0.980 nan 8.380 nan 0.000 0.545 958 N N -2.047 116.614 118.700 -0.064 0.000 2.693 958 N HA -0.210 4.531 4.740 0.002 0.000 0.249 958 N C -0.419 175.046 175.510 -0.074 0.000 1.119 958 N CA 1.583 54.592 53.050 -0.068 0.000 0.717 958 N CB -0.846 37.608 38.487 -0.053 0.000 1.071 958 N HN 0.624 nan 8.380 nan 0.000 0.555 959 S N -1.628 114.020 115.700 -0.086 0.000 2.569 959 S HA 0.854 5.325 4.470 0.002 0.000 0.280 959 S C 0.238 174.767 174.600 -0.119 0.000 1.111 959 S CA 0.455 58.603 58.200 -0.087 0.000 0.887 959 S CB 2.296 65.454 63.200 -0.069 0.000 1.095 959 S HN 0.851 nan 8.310 nan 0.000 0.476 960 G N 2.029 110.762 108.800 -0.112 0.000 2.278 960 G HA2 0.148 4.109 3.960 0.002 0.000 0.265 960 G HA3 0.148 4.109 3.960 0.002 0.000 0.265 960 G C -1.602 173.241 174.900 -0.094 0.000 1.329 960 G CA -0.202 44.816 45.100 -0.137 0.000 1.017 960 G HN 1.064 nan 8.290 nan 0.000 0.472 961 W N 0.103 121.302 121.300 -0.168 0.000 2.820 961 W HA 0.893 5.553 4.660 -0.000 0.000 0.350 961 W C -0.645 175.712 176.519 -0.270 0.000 1.116 961 W CA -1.112 56.026 57.345 -0.346 0.000 1.146 961 W CB 1.797 31.018 29.460 -0.399 0.000 1.433 961 W HN 0.890 nan 8.180 nan 0.000 0.561 962 K N 1.166 121.518 120.400 -0.079 0.000 2.546 962 K HA 0.580 4.901 4.320 0.002 0.000 0.264 962 K C -2.107 174.579 176.600 0.143 0.000 0.937 962 K CA -0.667 55.616 56.287 -0.007 0.000 0.833 962 K CB 2.530 34.960 32.500 -0.116 0.000 1.378 962 K HN 0.642 nan 8.250 nan 0.000 0.432 963 I N 3.209 123.922 120.570 0.238 0.000 2.418 963 I HA 0.299 4.470 4.170 0.002 0.000 0.287 963 I C -0.437 175.743 176.117 0.105 0.000 1.008 963 I CA -0.470 61.009 61.300 0.298 0.000 1.104 963 I CB 1.978 40.212 38.000 0.389 0.000 1.264 963 I HN 0.762 nan 8.210 nan 0.000 0.438 964 S N 6.452 122.186 115.700 0.058 0.000 2.697 964 S HA 0.793 5.264 4.470 0.002 0.000 0.289 964 S C -0.827 173.667 174.600 -0.176 0.000 1.149 964 S CA -0.842 57.301 58.200 -0.094 0.000 0.850 964 S CB 2.365 65.498 63.200 -0.111 0.000 1.151 964 S HN 0.430 nan 8.310 nan 0.000 0.491 965 I N 0.648 120.935 120.570 -0.471 0.000 2.533 965 I HA 0.512 4.683 4.170 0.002 0.000 0.290 965 I C -0.421 175.364 176.117 -0.555 0.000 1.056 965 I CA -0.483 60.501 61.300 -0.526 0.000 1.057 965 I CB 2.265 39.876 38.000 -0.648 0.000 1.240 965 I HN 0.666 nan 8.210 nan 0.000 0.423 966 R N 4.778 125.073 120.500 -0.341 0.000 2.407 966 R HA 0.532 4.873 4.340 0.002 0.000 0.298 966 R C 0.495 176.557 176.300 -0.397 0.000 1.166 966 R CA 0.379 56.300 56.100 -0.299 0.000 1.006 966 R CB 0.984 31.120 30.300 -0.272 0.000 1.145 966 R HN 0.950 nan 8.270 nan 0.000 0.538 967 G N 3.740 112.202 108.800 -0.564 0.000 2.602 967 G HA2 -0.441 3.520 3.960 0.002 0.000 0.310 967 G HA3 -0.441 3.520 3.960 0.002 0.000 0.310 967 G C 0.222 174.670 174.900 -0.753 0.000 1.183 967 G CA 0.467 44.794 45.100 -1.287 0.000 0.979 967 G HN 0.735 nan 8.290 nan 0.000 0.545 968 N N 1.414 119.821 118.700 -0.488 0.000 2.346 968 N HA 0.109 4.850 4.740 0.002 0.000 0.225 968 N C 0.607 175.601 175.510 -0.861 0.000 1.144 968 N CA 0.682 53.328 53.050 -0.675 0.000 0.837 968 N CB 0.472 38.653 38.487 -0.510 0.000 1.069 968 N HN 0.895 nan 8.380 nan 0.000 0.487 969 R N 0.409 120.648 120.500 -0.434 0.000 2.628 969 R HA 0.519 4.860 4.340 0.002 0.000 0.288 969 R C -1.571 174.694 176.300 -0.059 0.000 0.980 969 R CA -0.727 55.222 56.100 -0.251 0.000 0.891 969 R CB 1.585 31.734 30.300 -0.251 0.000 1.188 969 R HN 0.173 nan 8.270 nan 0.000 0.450 970 I N 5.790 126.440 120.570 0.134 0.000 2.433 970 I HA 0.437 4.608 4.170 0.002 0.000 0.292 970 I C -1.228 175.053 176.117 0.272 0.000 1.001 970 I CA -0.913 60.519 61.300 0.220 0.000 1.119 970 I CB 1.233 39.464 38.000 0.385 0.000 1.289 970 I HN 0.630 nan 8.210 nan 0.000 0.438 971 I N 7.327 128.026 120.570 0.215 0.000 2.474 971 I HA 0.324 4.495 4.170 0.002 0.000 0.294 971 I C -1.090 175.229 176.117 0.337 0.000 1.005 971 I CA -0.528 60.929 61.300 0.262 0.000 1.113 971 I CB 1.812 39.878 38.000 0.111 0.000 1.289 971 I HN 0.620 nan 8.210 nan 0.000 0.436 972 W N 6.401 127.796 121.300 0.159 0.000 2.361 972 W HA 0.522 5.182 4.660 0.001 0.000 0.314 972 W C -1.472 175.132 176.519 0.143 0.000 1.041 972 W CA -0.439 57.000 57.345 0.157 0.000 1.241 972 W CB 1.857 31.392 29.460 0.124 0.000 1.279 972 W HN 0.435 nan 8.180 nan 0.000 0.436 973 T N 7.039 121.386 114.554 -0.346 0.000 2.824 973 T HA 0.533 4.884 4.350 0.002 0.000 0.282 973 T C -0.307 174.101 174.700 -0.487 0.000 0.993 973 T CA -0.520 61.382 62.100 -0.329 0.000 0.967 973 T CB 1.801 70.579 68.868 -0.150 0.000 0.960 973 T HN 0.304 nan 8.240 nan 0.000 0.441 974 L N 3.478 124.507 121.223 -0.324 0.000 2.346 974 L HA 0.668 5.009 4.340 0.002 0.000 0.274 974 L C -0.661 176.145 176.870 -0.107 0.000 1.007 974 L CA -1.001 53.716 54.840 -0.204 0.000 0.818 974 L CB 1.772 43.773 42.059 -0.096 0.000 1.284 974 L HN 0.560 nan 8.230 nan 0.000 0.424 975 I N 2.154 122.674 120.570 -0.085 0.000 2.542 975 I HA 0.139 4.310 4.170 0.002 0.000 0.278 975 I C -0.673 175.412 176.117 -0.052 0.000 1.069 975 I CA -0.749 60.511 61.300 -0.067 0.000 1.100 975 I CB 1.574 39.525 38.000 -0.081 0.000 1.204 975 I HN 0.605 nan 8.210 nan 0.000 0.470 976 D N 5.738 126.117 120.400 -0.034 0.000 2.369 976 D HA 0.017 4.658 4.640 0.002 0.000 0.241 976 D C 1.538 177.819 176.300 -0.032 0.000 1.271 976 D CA -0.374 53.608 54.000 -0.029 0.000 0.942 976 D CB 0.869 41.662 40.800 -0.012 0.000 1.129 976 D HN 0.590 nan 8.370 nan 0.000 0.476 977 I N -2.645 117.907 120.570 -0.029 0.000 2.399 977 I HA -0.253 3.918 4.170 0.002 0.000 0.254 977 I C 0.777 176.881 176.117 -0.022 0.000 1.146 977 I CA 1.178 62.461 61.300 -0.028 0.000 1.412 977 I CB -0.657 37.329 38.000 -0.023 0.000 1.076 977 I HN 0.173 nan 8.210 nan 0.000 0.432 978 N N 1.669 120.359 118.700 -0.017 0.000 2.449 978 N HA 0.060 4.801 4.740 0.002 0.000 0.191 978 N C 1.548 177.047 175.510 -0.017 0.000 1.161 978 N CA 1.030 54.072 53.050 -0.013 0.000 0.863 978 N CB 0.559 39.042 38.487 -0.007 0.000 0.980 978 N HN 0.711 nan 8.380 nan 0.000 0.458 979 G N 1.236 110.022 108.800 -0.024 0.000 2.184 979 G HA2 -0.338 3.623 3.960 0.002 0.000 0.264 979 G HA3 -0.338 3.623 3.960 0.002 0.000 0.264 979 G C 0.198 175.082 174.900 -0.026 0.000 0.975 979 G CA 0.186 45.268 45.100 -0.029 0.000 0.642 979 G HN 0.412 nan 8.290 nan 0.000 0.536 980 K N 1.479 121.867 120.400 -0.019 0.000 2.378 980 K HA 0.399 4.721 4.320 0.002 0.000 0.288 980 K C -0.039 176.550 176.600 -0.018 0.000 1.057 980 K CA 0.266 56.545 56.287 -0.014 0.000 0.971 980 K CB 0.140 32.637 32.500 -0.004 0.000 0.975 980 K HN 0.118 nan 8.250 nan 0.000 0.475 981 T N 4.865 119.407 114.554 -0.020 0.000 2.837 981 T HA 0.365 4.716 4.350 0.002 0.000 0.285 981 T C -0.628 174.065 174.700 -0.011 0.000 0.984 981 T CA -0.691 61.393 62.100 -0.027 0.000 1.049 981 T CB 1.079 69.926 68.868 -0.036 0.000 0.947 981 T HN 0.396 nan 8.240 nan 0.000 0.472 982 K N 1.506 121.899 120.400 -0.012 0.000 2.508 982 K HA 0.742 5.063 4.320 0.002 0.000 0.260 982 K C -1.007 175.606 176.600 0.022 0.000 0.949 982 K CA -0.742 55.556 56.287 0.018 0.000 0.834 982 K CB 2.602 35.125 32.500 0.038 0.000 1.365 982 K HN 0.586 nan 8.250 nan 0.000 0.437 983 S N -0.092 115.652 115.700 0.074 0.000 2.618 983 S HA 0.647 5.118 4.470 0.002 0.000 0.277 983 S C -1.557 173.167 174.600 0.207 0.000 1.138 983 S CA -0.726 57.551 58.200 0.127 0.000 0.844 983 S CB 2.516 65.785 63.200 0.115 0.000 1.127 983 S HN 0.342 nan 8.310 nan 0.000 0.474 984 V N 2.591 122.676 119.914 0.286 0.000 3.012 984 V HA 0.923 5.044 4.120 0.002 0.000 0.307 984 V C -2.156 174.127 176.094 0.315 0.000 1.166 984 V CA -0.763 61.672 62.300 0.224 0.000 0.974 984 V CB 1.724 33.651 31.823 0.174 0.000 1.040 984 V HN 0.923 nan 8.190 nan 0.000 0.428 985 F N 3.988 123.999 119.950 0.101 0.000 2.686 985 F HA 0.833 5.360 4.527 0.001 0.000 0.311 985 F C -2.016 173.861 175.800 0.128 0.000 1.128 985 F CA -1.327 56.738 58.000 0.109 0.000 0.946 985 F CB 1.639 40.666 39.000 0.045 0.000 1.336 985 F HN 0.537 nan 8.300 nan 0.000 0.457 986 F N 2.082 122.099 119.950 0.110 0.000 2.507 986 F HA 0.577 5.106 4.527 0.002 0.000 0.328 986 F C -1.020 174.854 175.800 0.124 0.000 1.136 986 F CA -0.626 57.366 58.000 -0.013 0.000 0.930 986 F CB 1.599 40.564 39.000 -0.058 0.000 1.166 986 F HN 0.798 nan 8.300 nan 0.000 0.436 987 E N 6.513 126.357 120.200 -0.593 0.000 2.199 987 E HA 0.335 4.686 4.350 0.002 0.000 0.265 987 E C -1.752 174.331 176.600 -0.861 0.000 0.882 987 E CA -0.824 55.225 56.400 -0.584 0.000 0.759 987 E CB 1.280 30.901 29.700 -0.131 0.000 1.148 987 E HN 0.619 nan 8.360 nan 0.000 0.412 988 Y N 1.885 121.798 120.300 -0.646 0.000 2.387 988 Y HA 0.439 4.990 4.550 0.002 0.000 0.330 988 Y C -0.037 175.823 175.900 -0.068 0.000 1.133 988 Y CA -1.506 56.343 58.100 -0.420 0.000 1.152 988 Y CB 0.402 38.663 38.460 -0.332 0.000 1.215 988 Y HN 0.417 nan 8.280 nan 0.000 0.466 989 N N 2.719 121.536 118.700 0.196 0.000 2.454 989 N HA 0.106 4.847 4.740 0.002 0.000 0.260 989 N C 0.088 175.777 175.510 0.299 0.000 1.218 989 N CA -0.060 53.104 53.050 0.189 0.000 0.904 989 N CB 0.313 38.907 38.487 0.178 0.000 1.065 989 N HN 0.809 nan 8.380 nan 0.000 0.462 990 I N 0.008 120.716 120.570 0.229 0.000 3.816 990 I HA 0.379 4.550 4.170 0.002 0.000 0.334 990 I C 0.158 176.403 176.117 0.213 0.000 1.551 990 I CA -0.338 61.135 61.300 0.288 0.000 1.153 990 I CB 0.227 38.363 38.000 0.228 0.000 1.197 990 I HN 0.398 nan 8.210 nan 0.000 0.439 991 R N 0.763 121.378 120.500 0.192 0.000 2.572 991 R HA 0.294 4.635 4.340 0.002 0.000 0.370 991 R C -0.320 176.090 176.300 0.183 0.000 1.005 991 R CA -0.316 55.878 56.100 0.156 0.000 1.146 991 R CB 0.666 31.024 30.300 0.096 0.000 1.390 991 R HN 0.319 nan 8.270 nan 0.000 0.553 992 E N 1.328 121.665 120.200 0.230 0.000 2.338 992 E HA -0.000 4.351 4.350 0.002 0.000 0.272 992 E C 0.167 176.919 176.600 0.253 0.000 1.029 992 E CA 0.032 56.562 56.400 0.218 0.000 0.872 992 E CB 1.059 30.895 29.700 0.227 0.000 1.015 992 E HN 0.041 nan 8.360 nan 0.000 0.417 993 D N 1.170 121.695 120.400 0.209 0.000 2.123 993 D HA -0.087 4.555 4.640 0.002 0.000 0.196 993 D C 0.479 176.935 176.300 0.260 0.000 0.992 993 D CA 1.303 55.437 54.000 0.223 0.000 0.833 993 D CB 0.383 41.285 40.800 0.169 0.000 0.954 993 D HN 0.294 nan 8.370 nan 0.000 0.455 994 I N 0.387 121.092 120.570 0.225 0.000 2.500 994 I HA 0.097 4.268 4.170 0.002 0.000 0.286 994 I C -0.201 176.014 176.117 0.164 0.000 1.063 994 I CA -0.493 60.926 61.300 0.199 0.000 1.062 994 I CB 1.723 39.862 38.000 0.233 0.000 1.223 994 I HN -0.250 nan 8.210 nan 0.000 0.435 995 S N 4.478 120.282 115.700 0.174 0.000 2.525 995 S HA 0.335 4.806 4.470 0.002 0.000 0.278 995 S C 0.827 175.401 174.600 -0.044 0.000 1.234 995 S CA -0.335 57.950 58.200 0.142 0.000 1.058 995 S CB 1.036 64.407 63.200 0.286 0.000 0.983 995 S HN 0.598 nan 8.310 nan 0.000 0.495 996 E N 2.799 122.850 120.200 -0.248 0.000 2.489 996 E HA 0.047 4.398 4.350 0.002 0.000 0.193 996 E C -0.059 176.164 176.600 -0.628 0.000 1.057 996 E CA 0.571 56.650 56.400 -0.535 0.000 0.866 996 E CB 0.117 29.338 29.700 -0.798 0.000 0.916 996 E HN 0.854 nan 8.360 nan 0.000 0.500 997 Y N -0.287 119.987 120.300 -0.043 0.000 2.652 997 Y HA 0.259 4.810 4.550 0.001 0.000 0.275 997 Y C 0.891 176.782 175.900 -0.015 0.000 1.133 997 Y CA -0.729 57.294 58.100 -0.129 0.000 1.246 997 Y CB 0.530 38.643 38.460 -0.578 0.000 1.334 997 Y HN -0.147 nan 8.280 nan 0.000 0.493 998 I N 3.122 123.794 120.570 0.170 0.000 2.769 998 I HA -0.185 3.986 4.170 0.002 0.000 0.285 998 I C 0.963 177.342 176.117 0.436 0.000 1.173 998 I CA 1.047 62.531 61.300 0.307 0.000 1.389 998 I CB -0.257 38.027 38.000 0.472 0.000 1.404 998 I HN 0.557 nan 8.210 nan 0.000 0.544 999 N N 4.043 122.932 118.700 0.315 0.000 2.828 999 N HA -0.207 4.534 4.740 0.002 0.000 0.248 999 N C -0.230 175.462 175.510 0.304 0.000 1.044 999 N CA 0.575 53.749 53.050 0.207 0.000 0.851 999 N CB -0.152 38.394 38.487 0.099 0.000 1.136 999 N HN 0.617 nan 8.380 nan 0.000 0.572 1000 R N -0.234 120.502 120.500 0.393 0.000 2.562 1000 R HA 0.245 4.586 4.340 0.002 0.000 0.298 1000 R C -0.794 175.794 176.300 0.480 0.000 0.961 1000 R CA -0.601 55.759 56.100 0.434 0.000 0.881 1000 R CB 0.675 31.191 30.300 0.360 0.000 1.159 1000 R HN 0.104 nan 8.270 nan 0.000 0.450 1001 W N 4.018 125.580 121.300 0.438 0.000 2.343 1001 W HA 0.011 4.673 4.660 0.003 0.000 0.337 1001 W C 0.113 177.096 176.519 0.773 0.000 1.320 1001 W CA 0.451 58.093 57.345 0.495 0.000 1.290 1001 W CB 0.146 29.856 29.460 0.416 0.000 1.206 1001 W HN 0.454 nan 8.180 nan 0.000 0.565 1002 F N 2.465 122.948 119.950 0.888 0.000 2.643 1002 F HA 0.624 5.153 4.527 0.003 0.000 0.314 1002 F C -1.755 174.216 175.800 0.285 0.000 1.096 1002 F CA -2.585 55.771 58.000 0.592 0.000 0.953 1002 F CB 0.804 40.067 39.000 0.438 0.000 1.345 1002 F HN 0.093 nan 8.300 nan 0.000 0.468 1003 F N 3.020 122.865 119.950 -0.175 0.000 2.404 1003 F HA 0.728 5.255 4.527 0.001 0.000 0.354 1003 F C -1.091 174.445 175.800 -0.440 0.000 1.122 1003 F CA -1.338 56.179 58.000 -0.805 0.000 1.080 1003 F CB 1.150 39.398 39.000 -1.252 0.000 1.131 1003 F HN 0.428 nan 8.300 nan 0.000 0.471 1004 V N 4.711 124.010 119.914 -1.026 0.000 2.547 1004 V HA 0.662 4.784 4.120 0.002 0.000 0.299 1004 V C -0.414 174.861 176.094 -1.364 0.000 1.040 1004 V CA -0.562 61.117 62.300 -1.035 0.000 0.913 1004 V CB 1.932 33.131 31.823 -1.040 0.000 0.992 1004 V HN 0.827 nan 8.190 nan 0.000 0.449 1005 T N 5.035 119.026 114.554 -0.939 0.000 3.071 1005 T HA 0.637 4.989 4.350 0.002 0.000 0.311 1005 T C -0.772 173.612 174.700 -0.527 0.000 1.042 1005 T CA -0.230 61.397 62.100 -0.788 0.000 1.028 1005 T CB 1.248 69.641 68.868 -0.792 0.000 1.068 1005 T HN 0.419 nan 8.240 nan 0.000 0.451 1006 I N 3.129 123.339 120.570 -0.601 0.000 2.436 1006 I HA 0.510 4.681 4.170 0.002 0.000 0.289 1006 I C 0.406 176.119 176.117 -0.673 0.000 1.010 1006 I CA -0.794 60.103 61.300 -0.671 0.000 1.098 1006 I CB 2.057 39.385 38.000 -1.120 0.000 1.266 1006 I HN 0.678 nan 8.210 nan 0.000 0.434 1007 T N 1.941 116.231 114.554 -0.439 0.000 2.855 1007 T HA 0.517 4.868 4.350 0.002 0.000 0.281 1007 T C -0.538 174.019 174.700 -0.239 0.000 1.007 1007 T CA -0.885 61.005 62.100 -0.351 0.000 1.009 1007 T CB 1.602 70.339 68.868 -0.217 0.000 0.983 1007 T HN 0.449 nan 8.240 nan 0.000 0.455 1008 N N 2.964 121.563 118.700 -0.168 0.000 2.448 1008 N HA 0.382 5.123 4.740 0.002 0.000 0.279 1008 N C -1.042 174.469 175.510 0.002 0.000 1.025 1008 N CA -0.576 52.477 53.050 0.005 0.000 0.898 1008 N CB 2.271 40.876 38.487 0.196 0.000 1.303 1008 N HN 0.918 nan 8.380 nan 0.000 0.495 1009 N N 0.089 118.798 118.700 0.016 0.000 2.966 1009 N HA 0.318 5.059 4.740 0.002 0.000 0.314 1009 N C 1.038 176.600 175.510 0.087 0.000 1.397 1009 N CA -0.720 52.345 53.050 0.025 0.000 0.776 1009 N CB 0.250 38.795 38.487 0.097 0.000 1.576 1009 N HN 0.076 nan 8.380 nan 0.000 0.592 1010 L N -2.044 119.359 121.223 0.299 0.000 2.127 1010 L HA 0.105 4.446 4.340 0.002 0.000 0.211 1010 L C 1.099 178.080 176.870 0.186 0.000 1.089 1010 L CA 1.414 56.476 54.840 0.370 0.000 0.757 1010 L CB -1.579 40.787 42.059 0.512 0.000 0.899 1010 L HN 0.523 nan 8.230 nan 0.000 0.434 1011 N N -0.345 118.439 118.700 0.139 0.000 2.333 1011 N HA 0.054 4.795 4.740 0.002 0.000 0.183 1011 N C 0.417 175.970 175.510 0.072 0.000 1.030 1011 N CA 0.564 53.668 53.050 0.090 0.000 0.867 1011 N CB -0.030 38.498 38.487 0.068 0.000 1.027 1011 N HN 0.456 nan 8.380 nan 0.000 0.435 1012 N N 0.222 118.960 118.700 0.064 0.000 2.525 1012 N HA 0.554 5.295 4.740 0.002 0.000 0.288 1012 N C -1.037 174.509 175.510 0.061 0.000 1.242 1012 N CA -0.419 52.661 53.050 0.049 0.000 0.905 1012 N CB 2.017 40.515 38.487 0.019 0.000 1.258 1012 N HN 0.018 nan 8.380 nan 0.000 0.551 1013 A N 0.657 123.509 122.820 0.054 0.000 2.385 1013 A HA 0.509 4.830 4.320 0.002 0.000 0.290 1013 A C -0.778 176.792 177.584 -0.024 0.000 1.094 1013 A CA -0.670 51.407 52.037 0.068 0.000 0.729 1013 A CB 0.750 19.876 19.000 0.209 0.000 1.194 1013 A HN 0.517 nan 8.150 nan 0.000 0.442 1014 K N 2.161 122.503 120.400 -0.098 0.000 2.324 1014 K HA 0.691 5.012 4.320 0.002 0.000 0.253 1014 K C -1.217 175.252 176.600 -0.219 0.000 0.932 1014 K CA -0.403 55.785 56.287 -0.165 0.000 0.799 1014 K CB 2.500 34.924 32.500 -0.126 0.000 1.154 1014 K HN 0.640 nan 8.250 nan 0.000 0.425 1015 I N 3.266 123.657 120.570 -0.299 0.000 2.378 1015 I HA 0.294 4.465 4.170 0.002 0.000 0.291 1015 I C -1.035 174.824 176.117 -0.429 0.000 0.992 1015 I CA -0.919 60.206 61.300 -0.291 0.000 1.154 1015 I CB 0.781 38.656 38.000 -0.208 0.000 1.315 1015 I HN 0.449 nan 8.210 nan 0.000 0.448 1016 Y N 6.171 126.210 120.300 -0.434 0.000 2.377 1016 Y HA 0.529 5.081 4.550 0.003 0.000 0.339 1016 Y C -0.032 175.526 175.900 -0.570 0.000 1.011 1016 Y CA -0.917 56.910 58.100 -0.455 0.000 1.093 1016 Y CB 1.659 39.866 38.460 -0.421 0.000 1.201 1016 Y HN 0.239 nan 8.280 nan 0.000 0.455 1017 I N 3.783 124.079 120.570 -0.456 0.000 2.410 1017 I HA 0.200 4.372 4.170 0.002 0.000 0.286 1017 I C -0.290 175.580 176.117 -0.411 0.000 1.009 1017 I CA -1.023 59.949 61.300 -0.546 0.000 1.111 1017 I CB 1.225 38.634 38.000 -0.985 0.000 1.262 1017 I HN 0.732 nan 8.210 nan 0.000 0.443 1018 N N 5.174 123.627 118.700 -0.412 0.000 2.721 1018 N HA -0.214 4.527 4.740 0.002 0.000 0.249 1018 N C 1.177 176.149 175.510 -0.896 0.000 1.072 1018 N CA 1.317 53.871 53.050 -0.827 0.000 0.710 1018 N CB -0.964 37.172 38.487 -0.585 0.000 0.993 1018 N HN 1.146 nan 8.380 nan 0.000 0.547 1019 G N -1.043 107.503 108.800 -0.424 0.000 2.253 1019 G HA2 -0.383 3.578 3.960 0.002 0.000 0.251 1019 G HA3 -0.383 3.578 3.960 0.002 0.000 0.251 1019 G C 0.064 174.931 174.900 -0.054 0.000 0.998 1019 G CA 0.808 45.790 45.100 -0.196 0.000 0.621 1019 G HN 0.665 nan 8.290 nan 0.000 0.524 1020 K N 0.613 120.927 120.400 -0.143 0.000 2.205 1020 K HA 0.610 4.931 4.320 0.002 0.000 0.279 1020 K C 0.126 176.595 176.600 -0.218 0.000 1.027 1020 K CA -0.935 55.278 56.287 -0.123 0.000 0.932 1020 K CB 0.780 33.190 32.500 -0.150 0.000 1.032 1020 K HN 0.217 nan 8.250 nan 0.000 0.466 1021 L N 4.468 125.505 121.223 -0.310 0.000 2.360 1021 L HA 0.090 4.431 4.340 0.002 0.000 0.276 1021 L C 0.545 177.157 176.870 -0.430 0.000 1.121 1021 L CA 0.799 55.232 54.840 -0.678 0.000 0.845 1021 L CB 0.719 42.371 42.059 -0.678 0.000 1.143 1021 L HN 0.797 nan 8.230 nan 0.000 0.452 1022 E N 2.131 122.060 120.200 -0.452 0.000 2.364 1022 E HA 0.248 4.599 4.350 0.002 0.000 0.203 1022 E C -0.293 176.175 176.600 -0.221 0.000 0.888 1022 E CA 0.239 56.475 56.400 -0.274 0.000 0.989 1022 E CB 0.678 30.200 29.700 -0.297 0.000 0.985 1022 E HN 0.670 nan 8.360 nan 0.000 0.499 1023 S N 0.738 116.265 115.700 -0.289 0.000 2.541 1023 S HA 0.431 4.902 4.470 0.002 0.000 0.271 1023 S C -0.845 173.611 174.600 -0.240 0.000 1.133 1023 S CA -0.936 57.113 58.200 -0.251 0.000 0.876 1023 S CB 2.466 65.509 63.200 -0.262 0.000 1.105 1023 S HN 0.087 nan 8.310 nan 0.000 0.470 1024 N N 0.627 119.218 118.700 -0.181 0.000 2.242 1024 N HA 0.552 5.293 4.740 0.002 0.000 0.292 1024 N C -1.989 173.479 175.510 -0.071 0.000 1.125 1024 N CA -0.299 52.675 53.050 -0.126 0.000 0.783 1024 N CB 2.326 40.742 38.487 -0.119 0.000 1.558 1024 N HN 0.565 nan 8.380 nan 0.000 0.472 1025 T N 1.251 115.792 114.554 -0.022 0.000 3.011 1025 T HA 0.116 4.467 4.350 0.002 0.000 0.303 1025 T C -1.157 173.564 174.700 0.035 0.000 0.997 1025 T CA -0.653 61.458 62.100 0.018 0.000 1.007 1025 T CB 1.238 70.144 68.868 0.063 0.000 1.017 1025 T HN 0.427 nan 8.240 nan 0.000 0.443 1026 D N 3.544 123.961 120.400 0.029 0.000 2.401 1026 D HA 0.074 4.715 4.640 0.002 0.000 0.254 1026 D C 0.532 176.862 176.300 0.050 0.000 1.192 1026 D CA -0.197 53.824 54.000 0.035 0.000 0.885 1026 D CB 0.509 41.325 40.800 0.026 0.000 1.147 1026 D HN 0.689 nan 8.370 nan 0.000 0.478 1027 I N 1.014 121.621 120.570 0.061 0.000 3.061 1027 I HA 0.204 4.375 4.170 0.002 0.000 0.341 1027 I C 1.045 177.203 176.117 0.068 0.000 1.457 1027 I CA -0.882 60.460 61.300 0.069 0.000 0.921 1027 I CB 0.660 38.716 38.000 0.093 0.000 1.845 1027 I HN -0.049 nan 8.210 nan 0.000 0.535 1028 K N 1.922 122.356 120.400 0.057 0.000 1.973 1028 K HA -0.124 4.197 4.320 0.002 0.000 0.212 1028 K C 1.159 177.791 176.600 0.053 0.000 1.047 1028 K CA 1.789 58.110 56.287 0.057 0.000 0.937 1028 K CB -0.467 32.058 32.500 0.043 0.000 0.721 1028 K HN 0.534 nan 8.250 nan 0.000 0.440 1029 D N 1.733 122.157 120.400 0.041 0.000 2.380 1029 D HA -0.211 4.430 4.640 0.002 0.000 0.198 1029 D C 0.976 177.298 176.300 0.036 0.000 1.027 1029 D CA 0.787 54.807 54.000 0.033 0.000 0.880 1029 D CB -0.617 40.199 40.800 0.027 0.000 1.064 1029 D HN 0.076 nan 8.370 nan 0.000 0.465 1030 I N 2.748 123.339 120.570 0.036 0.000 3.352 1030 I HA -0.223 3.948 4.170 0.002 0.000 0.344 1030 I C 1.459 177.599 176.117 0.038 0.000 1.229 1030 I CA 0.884 62.203 61.300 0.033 0.000 1.458 1030 I CB -0.407 37.617 38.000 0.041 0.000 1.321 1030 I HN 0.081 nan 8.210 nan 0.000 0.494 1031 R N 5.228 125.743 120.500 0.025 0.000 2.221 1031 R HA 0.223 4.564 4.340 0.002 0.000 0.157 1031 R C 0.385 176.696 176.300 0.019 0.000 0.876 1031 R CA -0.684 55.434 56.100 0.029 0.000 1.500 1031 R CB -0.164 30.147 30.300 0.019 0.000 1.353 1031 R HN 0.569 nan 8.270 nan 0.000 0.598 1032 E N 1.108 121.313 120.200 0.010 0.000 2.414 1032 E HA 0.083 4.434 4.350 0.002 0.000 0.263 1032 E C -1.012 175.564 176.600 -0.040 0.000 1.000 1032 E CA 0.050 56.443 56.400 -0.012 0.000 0.914 1032 E CB 0.589 30.282 29.700 -0.012 0.000 0.948 1032 E HN 0.055 nan 8.360 nan 0.000 0.444 1033 V N 7.001 126.868 119.914 -0.079 0.000 2.376 1033 V HA 0.223 4.344 4.120 0.002 0.000 0.287 1033 V C 0.076 176.076 176.094 -0.157 0.000 1.015 1033 V CA -0.618 61.625 62.300 -0.095 0.000 0.834 1033 V CB 1.324 33.102 31.823 -0.075 0.000 1.001 1033 V HN 0.644 nan 8.190 nan 0.000 0.428 1034 I N 4.377 124.875 120.570 -0.120 0.000 2.471 1034 I HA 0.131 4.302 4.170 0.002 0.000 0.294 1034 I C 1.405 177.440 176.117 -0.136 0.000 1.123 1034 I CA 0.291 61.514 61.300 -0.128 0.000 1.336 1034 I CB 0.826 38.779 38.000 -0.079 0.000 1.430 1034 I HN 0.751 nan 8.210 nan 0.000 0.533 1035 A N 5.190 127.848 122.820 -0.271 0.000 2.238 1035 A HA 0.010 4.331 4.320 0.002 0.000 0.210 1035 A C 1.242 178.983 177.584 0.261 0.000 1.179 1035 A CA 0.109 52.063 52.037 -0.138 0.000 0.827 1035 A CB -0.384 18.047 19.000 -0.949 0.000 0.856 1035 A HN 0.802 nan 8.150 nan 0.000 0.488 1036 N N 0.034 118.865 118.700 0.218 0.000 2.320 1036 N HA 0.269 5.010 4.740 0.002 0.000 0.237 1036 N C 0.647 176.263 175.510 0.178 0.000 1.129 1036 N CA 0.324 53.602 53.050 0.380 0.000 0.854 1036 N CB -0.326 38.423 38.487 0.437 0.000 1.083 1036 N HN 0.143 nan 8.380 nan 0.000 0.504 1037 G N -0.226 108.617 108.800 0.072 0.000 2.525 1037 G HA2 0.084 4.045 3.960 0.002 0.000 0.276 1037 G HA3 0.084 4.045 3.960 0.002 0.000 0.276 1037 G C -0.553 174.351 174.900 0.006 0.000 1.388 1037 G CA -0.603 44.495 45.100 -0.003 0.000 1.050 1037 G HN 0.352 nan 8.290 nan 0.000 0.520 1038 E N -1.126 119.055 120.200 -0.031 0.000 2.354 1038 E HA 0.265 4.616 4.350 0.002 0.000 0.269 1038 E C -0.331 176.228 176.600 -0.069 0.000 1.036 1038 E CA -0.168 56.226 56.400 -0.011 0.000 0.876 1038 E CB 0.599 30.292 29.700 -0.012 0.000 1.009 1038 E HN 0.197 nan 8.360 nan 0.000 0.416 1039 I N 5.283 125.849 120.570 -0.006 0.000 2.330 1039 I HA 0.225 4.396 4.170 0.002 0.000 0.289 1039 I C -0.402 175.692 176.117 -0.040 0.000 1.001 1039 I CA -0.662 60.587 61.300 -0.086 0.000 1.193 1039 I CB 0.956 38.999 38.000 0.072 0.000 1.345 1039 I HN 0.320 nan 8.210 nan 0.000 0.461 1040 I N 6.720 127.195 120.570 -0.158 0.000 2.330 1040 I HA 0.280 4.451 4.170 0.002 0.000 0.289 1040 I C -0.564 175.482 176.117 -0.119 0.000 1.001 1040 I CA -0.381 60.887 61.300 -0.054 0.000 1.193 1040 I CB 0.861 38.818 38.000 -0.072 0.000 1.345 1040 I HN 0.356 nan 8.210 nan 0.000 0.461 1041 F N 6.398 126.318 119.950 -0.050 0.000 2.313 1041 F HA 0.488 5.017 4.527 0.003 0.000 0.369 1041 F C 0.487 176.291 175.800 0.006 0.000 1.109 1041 F CA -0.352 57.629 58.000 -0.031 0.000 1.132 1041 F CB 0.691 39.660 39.000 -0.051 0.000 1.291 1041 F HN 0.378 nan 8.300 nan 0.000 0.496 1042 K N 3.780 124.264 120.400 0.140 0.000 2.589 1042 K HA 0.382 4.703 4.320 0.002 0.000 0.265 1042 K C -1.701 174.958 176.600 0.097 0.000 0.935 1042 K CA -0.700 55.650 56.287 0.105 0.000 0.850 1042 K CB 1.452 33.980 32.500 0.045 0.000 1.372 1042 K HN 0.479 nan 8.250 nan 0.000 0.420 1043 L N 3.048 124.340 121.223 0.114 0.000 2.418 1043 L HA 0.214 4.555 4.340 0.002 0.000 0.274 1043 L C -0.341 176.589 176.870 0.100 0.000 1.135 1043 L CA 0.126 55.064 54.840 0.162 0.000 0.870 1043 L CB 0.368 42.497 42.059 0.117 0.000 1.154 1043 L HN 0.645 nan 8.230 nan 0.000 0.462 1044 D N 2.871 123.350 120.400 0.130 0.000 2.473 1044 D HA 0.667 5.308 4.640 0.002 0.000 0.253 1044 D C -0.169 176.183 176.300 0.086 0.000 1.233 1044 D CA -0.019 54.020 54.000 0.064 0.000 0.908 1044 D CB 1.325 42.137 40.800 0.020 0.000 1.170 1044 D HN 0.697 nan 8.370 nan 0.000 0.558 1045 G N 2.520 111.351 108.800 0.052 0.000 2.327 1045 G HA2 0.119 4.080 3.960 0.002 0.000 0.291 1045 G HA3 0.119 4.080 3.960 0.002 0.000 0.291 1045 G C -1.356 173.543 174.900 -0.001 0.000 1.290 1045 G CA -1.025 44.104 45.100 0.049 0.000 0.857 1045 G HN 0.334 nan 8.290 nan 0.000 0.520 1046 D N 0.785 121.184 120.400 -0.002 0.000 2.498 1046 D HA 0.397 5.038 4.640 0.002 0.000 0.229 1046 D C 1.070 177.328 176.300 -0.070 0.000 1.188 1046 D CA -0.043 53.941 54.000 -0.025 0.000 1.028 1046 D CB -0.531 40.268 40.800 -0.002 0.000 1.087 1046 D HN 0.614 nan 8.370 nan 0.000 0.510 1047 I N -1.525 118.967 120.570 -0.130 0.000 2.924 1047 I HA 0.514 4.685 4.170 0.002 0.000 0.316 1047 I C 0.060 176.091 176.117 -0.142 0.000 1.014 1047 I CA -1.025 60.135 61.300 -0.232 0.000 1.106 1047 I CB 1.535 39.292 38.000 -0.405 0.000 1.311 1047 I HN -0.061 nan 8.210 nan 0.000 0.502 1048 D N 2.043 122.357 120.400 -0.143 0.000 2.302 1048 D HA 0.187 4.828 4.640 0.002 0.000 0.248 1048 D C 0.900 177.158 176.300 -0.070 0.000 1.094 1048 D CA -0.223 53.731 54.000 -0.076 0.000 0.897 1048 D CB 1.600 42.368 40.800 -0.053 0.000 1.200 1048 D HN 0.586 nan 8.370 nan 0.000 0.429 1049 R N 0.593 121.070 120.500 -0.038 0.000 2.170 1049 R HA -0.142 4.199 4.340 0.002 0.000 0.242 1049 R C 1.836 178.136 176.300 -0.000 0.000 1.145 1049 R CA 1.821 57.908 56.100 -0.022 0.000 0.984 1049 R CB -0.341 29.953 30.300 -0.010 0.000 0.869 1049 R HN 0.531 nan 8.270 nan 0.000 0.455 1050 T N -2.466 112.094 114.554 0.010 0.000 3.100 1050 T HA -0.019 4.332 4.350 0.002 0.000 0.253 1050 T C 0.766 175.516 174.700 0.085 0.000 1.118 1050 T CA -0.243 61.896 62.100 0.066 0.000 1.058 1050 T CB 0.144 69.050 68.868 0.062 0.000 0.953 1050 T HN -0.027 nan 8.240 nan 0.000 0.515 1051 Q N 1.827 121.610 119.800 -0.028 0.000 2.361 1051 Q HA 0.464 4.805 4.340 0.002 0.000 0.276 1051 Q C -0.602 175.407 176.000 0.016 0.000 1.022 1051 Q CA -0.183 55.548 55.803 -0.120 0.000 0.898 1051 Q CB 0.014 28.585 28.738 -0.278 0.000 1.246 1051 Q HN 0.613 nan 8.270 nan 0.000 0.410 1052 F N 1.535 121.457 119.950 -0.046 0.000 2.741 1052 F HA 0.760 5.288 4.527 0.002 0.000 0.313 1052 F C -1.702 174.093 175.800 -0.010 0.000 1.153 1052 F CA -1.328 56.632 58.000 -0.067 0.000 0.931 1052 F CB 1.171 40.090 39.000 -0.135 0.000 1.335 1052 F HN 0.294 nan 8.300 nan 0.000 0.460 1053 I N 1.404 122.119 120.570 0.241 0.000 2.644 1053 I HA 0.211 4.382 4.170 0.002 0.000 0.291 1053 I C -1.777 174.394 176.117 0.090 0.000 1.180 1053 I CA -0.841 60.563 61.300 0.174 0.000 1.040 1053 I CB 1.837 39.940 38.000 0.171 0.000 1.255 1053 I HN 0.835 nan 8.210 nan 0.000 0.422 1054 W N 6.195 127.527 121.300 0.054 0.000 2.496 1054 W HA 0.726 5.386 4.660 -0.000 0.000 0.327 1054 W C 0.144 176.602 176.519 -0.101 0.000 1.086 1054 W CA -0.420 56.892 57.345 -0.056 0.000 1.222 1054 W CB 1.750 31.073 29.460 -0.228 0.000 1.304 1054 W HN 0.318 nan 8.180 nan 0.000 0.547 1055 M N 2.716 122.405 119.600 0.149 0.000 2.593 1055 M HA 0.484 4.965 4.480 0.002 0.000 0.290 1055 M C -1.215 175.100 176.300 0.025 0.000 1.244 1055 M CA -0.744 54.563 55.300 0.011 0.000 0.857 1055 M CB 2.353 34.579 32.600 -0.624 0.000 1.738 1055 M HN 0.381 nan 8.290 nan 0.000 0.461 1056 K N 1.392 121.967 120.400 0.292 0.000 2.562 1056 K HA 0.332 4.653 4.320 0.002 0.000 0.267 1056 K C -1.564 175.325 176.600 0.482 0.000 0.938 1056 K CA -0.517 55.852 56.287 0.137 0.000 0.840 1056 K CB 1.287 33.561 32.500 -0.377 0.000 1.390 1056 K HN 0.793 nan 8.250 nan 0.000 0.428 1057 Y N 1.341 121.892 120.300 0.418 0.000 3.078 1057 Y HA -0.291 4.259 4.550 -0.000 0.000 0.202 1057 Y C -0.651 175.598 175.900 0.582 0.000 1.322 1057 Y CA -0.050 58.325 58.100 0.458 0.000 1.118 1057 Y CB -1.126 37.608 38.460 0.458 0.000 1.343 1057 Y HN 0.471 nan 8.280 nan 0.000 0.499 1058 F N 2.453 122.793 119.950 0.649 0.000 2.467 1058 F HA 0.472 4.998 4.527 -0.000 0.000 0.362 1058 F C 0.449 176.528 175.800 0.464 0.000 1.090 1058 F CA 0.313 58.684 58.000 0.620 0.000 1.202 1058 F CB 0.656 40.054 39.000 0.663 0.000 1.113 1058 F HN 0.087 nan 8.300 nan 0.000 0.541 1059 S N 5.995 121.584 115.700 -0.184 0.000 2.570 1059 S HA 0.787 5.258 4.470 0.002 0.000 0.270 1059 S C -1.171 173.259 174.600 -0.282 0.000 1.149 1059 S CA -0.979 57.151 58.200 -0.116 0.000 0.837 1059 S CB 1.614 64.790 63.200 -0.041 0.000 1.124 1059 S HN 0.566 nan 8.310 nan 0.000 0.465 1060 I N 1.170 121.637 120.570 -0.171 0.000 2.647 1060 I HA 0.580 4.752 4.170 0.002 0.000 0.295 1060 I C -1.537 174.509 176.117 -0.118 0.000 1.078 1060 I CA -0.700 60.562 61.300 -0.063 0.000 1.048 1060 I CB 1.842 39.913 38.000 0.119 0.000 1.239 1060 I HN 0.564 nan 8.210 nan 0.000 0.421 1061 F N 2.515 122.435 119.950 -0.051 0.000 2.532 1061 F HA 0.304 4.834 4.527 0.005 0.000 0.321 1061 F C 0.642 176.502 175.800 0.100 0.000 1.089 1061 F CA -0.990 57.002 58.000 -0.014 0.000 0.926 1061 F CB 1.302 40.266 39.000 -0.061 0.000 1.168 1061 F HN 0.472 nan 8.300 nan 0.000 0.459 1062 N N -0.241 118.619 118.700 0.267 0.000 2.389 1062 N HA 0.158 4.899 4.740 0.002 0.000 0.237 1062 N C -0.334 175.353 175.510 0.296 0.000 1.148 1062 N CA -0.013 53.236 53.050 0.332 0.000 0.854 1062 N CB 0.500 39.068 38.487 0.135 0.000 1.115 1062 N HN 0.569 nan 8.380 nan 0.000 0.492 1063 T N -1.408 113.294 114.554 0.246 0.000 2.792 1063 T HA 0.213 4.564 4.350 0.002 0.000 0.303 1063 T C -1.979 172.735 174.700 0.022 0.000 1.310 1063 T CA -0.853 61.326 62.100 0.132 0.000 1.007 1063 T CB 1.348 70.275 68.868 0.099 0.000 1.335 1063 T HN 0.231 nan 8.240 nan 0.000 0.504 1064 E N 2.426 122.610 120.200 -0.026 0.000 2.194 1064 E HA 0.407 4.758 4.350 0.002 0.000 0.284 1064 E C -0.515 175.966 176.600 -0.197 0.000 1.035 1064 E CA -0.426 55.905 56.400 -0.114 0.000 0.836 1064 E CB 0.431 30.096 29.700 -0.059 0.000 1.070 1064 E HN 0.474 nan 8.360 nan 0.000 0.401 1065 L N 3.651 124.668 121.223 -0.343 0.000 2.397 1065 L HA 0.134 4.475 4.340 0.002 0.000 0.271 1065 L C 0.757 177.413 176.870 -0.358 0.000 1.148 1065 L CA -0.342 54.238 54.840 -0.433 0.000 0.825 1065 L CB 1.076 42.748 42.059 -0.645 0.000 1.117 1065 L HN 0.612 nan 8.230 nan 0.000 0.456 1066 S N 1.051 116.577 115.700 -0.290 0.000 2.669 1066 S HA 0.081 4.552 4.470 0.002 0.000 0.270 1066 S C 0.655 175.072 174.600 -0.305 0.000 1.225 1066 S CA -0.654 57.412 58.200 -0.224 0.000 0.991 1066 S CB 1.472 64.589 63.200 -0.139 0.000 0.987 1066 S HN 0.674 nan 8.310 nan 0.000 0.552 1067 Q N 0.828 120.506 119.800 -0.203 0.000 2.135 1067 Q HA -0.136 4.205 4.340 0.002 0.000 0.204 1067 Q C 2.142 178.047 176.000 -0.157 0.000 0.981 1067 Q CA 2.167 57.864 55.803 -0.177 0.000 0.856 1067 Q CB -0.866 27.893 28.738 0.035 0.000 0.902 1067 Q HN 0.827 nan 8.270 nan 0.000 0.425 1068 S N 0.556 116.186 115.700 -0.116 0.000 2.356 1068 S HA -0.120 4.351 4.470 0.002 0.000 0.223 1068 S C 1.649 176.183 174.600 -0.109 0.000 1.032 1068 S CA 1.340 59.487 58.200 -0.088 0.000 1.005 1068 S CB -0.149 63.010 63.200 -0.068 0.000 0.867 1068 S HN 0.477 nan 8.310 nan 0.000 0.449 1069 N N 1.358 119.963 118.700 -0.158 0.000 2.104 1069 N HA -0.048 4.693 4.740 0.002 0.000 0.190 1069 N C 1.873 177.282 175.510 -0.169 0.000 1.024 1069 N CA 1.638 54.584 53.050 -0.174 0.000 0.853 1069 N CB -0.524 37.808 38.487 -0.258 0.000 1.008 1069 N HN 0.480 nan 8.380 nan 0.000 0.424 1070 I N 1.099 121.525 120.570 -0.241 0.000 2.179 1070 I HA -0.230 3.941 4.170 0.002 0.000 0.242 1070 I C 2.503 178.616 176.117 -0.006 0.000 1.088 1070 I CA 1.033 62.218 61.300 -0.191 0.000 1.357 1070 I CB -0.225 37.479 38.000 -0.493 0.000 1.051 1070 I HN 0.056 nan 8.210 nan 0.000 0.409 1071 E N 1.464 121.641 120.200 -0.037 0.000 2.058 1071 E HA -0.295 4.056 4.350 0.002 0.000 0.194 1071 E C 2.006 178.657 176.600 0.085 0.000 0.997 1071 E CA 1.775 58.207 56.400 0.053 0.000 0.801 1071 E CB -0.189 29.523 29.700 0.021 0.000 0.746 1071 E HN 0.421 nan 8.360 nan 0.000 0.450 1072 E N -0.143 120.066 120.200 0.015 0.000 2.051 1072 E HA -0.256 4.095 4.350 0.002 0.000 0.192 1072 E C 2.296 178.891 176.600 -0.008 0.000 0.991 1072 E CA 1.170 57.568 56.400 -0.004 0.000 0.799 1072 E CB -0.137 29.544 29.700 -0.032 0.000 0.748 1072 E HN 0.148 nan 8.360 nan 0.000 0.449 1073 R N -0.631 119.871 120.500 0.003 0.000 2.081 1073 R HA -0.215 4.126 4.340 0.002 0.000 0.235 1073 R C 2.394 178.607 176.300 -0.146 0.000 1.131 1073 R CA 1.699 57.790 56.100 -0.016 0.000 0.960 1073 R CB -0.450 29.907 30.300 0.096 0.000 0.856 1073 R HN 0.279 nan 8.270 nan 0.000 0.436 1074 Y N 1.350 121.471 120.300 -0.298 0.000 2.128 1074 Y HA -0.212 4.339 4.550 0.002 0.000 0.284 1074 Y C 1.662 177.497 175.900 -0.108 0.000 1.154 1074 Y CA 1.850 59.690 58.100 -0.434 0.000 1.149 1074 Y CB -0.048 38.323 38.460 -0.149 0.000 0.976 1074 Y HN -0.028 nan 8.280 nan 0.000 0.505 1075 K N -0.132 120.196 120.400 -0.120 0.000 2.097 1075 K HA -0.107 4.214 4.320 0.002 0.000 0.205 1075 K C 2.105 178.641 176.600 -0.107 0.000 1.050 1075 K CA 1.744 57.937 56.287 -0.157 0.000 0.938 1075 K CB -0.217 32.255 32.500 -0.046 0.000 0.718 1075 K HN 0.371 nan 8.250 nan 0.000 0.442 1076 I N 1.224 121.741 120.570 -0.089 0.000 2.353 1076 I HA -0.252 3.919 4.170 0.002 0.000 0.248 1076 I C 2.133 178.211 176.117 -0.066 0.000 1.119 1076 I CA 1.282 62.536 61.300 -0.077 0.000 1.417 1076 I CB -0.087 37.861 38.000 -0.087 0.000 1.078 1076 I HN 0.200 nan 8.210 nan 0.000 0.421 1077 Q N -0.256 119.497 119.800 -0.078 0.000 2.389 1077 Q HA -0.014 4.327 4.340 0.002 0.000 0.204 1077 Q C 2.161 178.091 176.000 -0.117 0.000 0.944 1077 Q CA 0.788 56.572 55.803 -0.033 0.000 0.908 1077 Q CB 0.202 29.033 28.738 0.155 0.000 1.002 1077 Q HN 0.382 nan 8.270 nan 0.000 0.493 1078 S N 0.023 115.645 115.700 -0.130 0.000 2.470 1078 S HA -0.045 4.426 4.470 0.002 0.000 0.225 1078 S C 0.234 174.702 174.600 -0.219 0.000 1.006 1078 S CA -0.098 57.967 58.200 -0.225 0.000 0.934 1078 S CB -0.108 62.899 63.200 -0.322 0.000 0.778 1078 S HN 0.354 nan 8.310 nan 0.000 0.517 1079 Y N 3.866 124.024 120.300 -0.236 0.000 2.717 1079 Y HA 0.232 4.782 4.550 0.001 0.000 0.330 1079 Y C 0.447 176.164 175.900 -0.304 0.000 1.217 1079 Y CA -0.087 57.872 58.100 -0.236 0.000 1.506 1079 Y CB 0.215 38.561 38.460 -0.190 0.000 1.268 1079 Y HN 0.158 nan 8.280 nan 0.000 0.561 1080 S N 3.382 118.321 115.700 -1.269 0.000 2.565 1080 S HA 0.338 4.809 4.470 0.002 0.000 0.269 1080 S C -0.283 173.633 174.600 -1.141 0.000 1.153 1080 S CA -1.006 56.505 58.200 -1.148 0.000 0.835 1080 S CB 1.715 64.059 63.200 -1.427 0.000 1.122 1080 S HN 0.614 nan 8.310 nan 0.000 0.462 1081 E N -0.040 119.680 120.200 -0.800 0.000 2.442 1081 E HA 0.139 4.490 4.350 0.002 0.000 0.195 1081 E C -0.008 176.389 176.600 -0.340 0.000 1.030 1081 E CA 0.595 56.735 56.400 -0.433 0.000 0.869 1081 E CB -0.093 29.496 29.700 -0.185 0.000 0.857 1081 E HN 0.757 nan 8.360 nan 0.000 0.505 1082 Y N -0.866 119.303 120.300 -0.219 0.000 2.488 1082 Y HA 0.586 5.137 4.550 0.000 0.000 0.325 1082 Y C 0.273 176.047 175.900 -0.211 0.000 1.204 1082 Y CA -1.624 56.361 58.100 -0.191 0.000 1.229 1082 Y CB 0.052 38.415 38.460 -0.162 0.000 1.274 1082 Y HN -0.343 nan 8.280 nan 0.000 0.493 1083 L N 1.698 122.964 121.223 0.070 0.000 2.469 1083 L HA 0.486 4.827 4.340 0.002 0.000 0.253 1083 L C 0.049 176.971 176.870 0.086 0.000 1.143 1083 L CA -0.624 54.219 54.840 0.006 0.000 0.804 1083 L CB 0.571 42.592 42.059 -0.062 0.000 1.214 1083 L HN 0.684 nan 8.230 nan 0.000 0.476 1084 K N -0.545 119.871 120.400 0.028 0.000 2.352 1084 K HA 0.445 4.766 4.320 0.002 0.000 0.240 1084 K C -1.347 175.197 176.600 -0.093 0.000 1.017 1084 K CA -0.958 55.305 56.287 -0.040 0.000 0.851 1084 K CB 1.538 33.995 32.500 -0.072 0.000 1.261 1084 K HN 0.636 nan 8.250 nan 0.000 0.451 1085 D N -0.498 119.812 120.400 -0.151 0.000 2.529 1085 D HA 0.033 4.674 4.640 0.002 0.000 0.273 1085 D C 0.747 176.946 176.300 -0.169 0.000 1.197 1085 D CA -0.581 53.338 54.000 -0.135 0.000 1.070 1085 D CB 0.106 40.861 40.800 -0.075 0.000 1.134 1085 D HN 0.432 nan 8.370 nan 0.000 0.590 1086 F N -0.628 119.099 119.950 -0.372 0.000 2.154 1086 F HA -0.076 4.452 4.527 0.002 0.000 0.301 1086 F C 1.433 176.934 175.800 -0.498 0.000 1.087 1086 F CA 1.270 58.951 58.000 -0.532 0.000 1.274 1086 F CB -0.078 38.382 39.000 -0.900 0.000 1.009 1086 F HN 0.377 nan 8.300 nan 0.000 0.485 1087 W N -0.413 120.899 121.300 0.021 0.000 2.770 1087 W HA 0.260 4.921 4.660 0.001 0.000 0.256 1087 W C 1.868 178.269 176.519 -0.198 0.000 1.291 1087 W CA 0.578 57.903 57.345 -0.032 0.000 1.396 1087 W CB -0.237 29.270 29.460 0.078 0.000 1.114 1087 W HN 0.188 nan 8.180 nan 0.000 0.637 1088 G N -0.328 108.213 108.800 -0.432 0.000 2.168 1088 G HA2 -0.242 3.719 3.960 0.002 0.000 0.197 1088 G HA3 -0.242 3.719 3.960 0.002 0.000 0.197 1088 G C 0.039 174.767 174.900 -0.287 0.000 0.997 1088 G CA -0.564 43.972 45.100 -0.939 0.000 0.658 1088 G HN 0.116 nan 8.290 nan 0.000 0.513 1089 N N 1.154 119.816 118.700 -0.064 0.000 2.463 1089 N HA 0.492 5.233 4.740 0.002 0.000 0.270 1089 N C -2.697 172.718 175.510 -0.158 0.000 1.205 1089 N CA -1.351 51.656 53.050 -0.072 0.000 0.974 1089 N CB 0.782 39.289 38.487 0.034 0.000 1.197 1089 N HN 0.011 nan 8.380 nan 0.000 0.504 1090 P HA 0.000 nan 4.420 nan 0.000 0.266 1090 P C -0.122 177.023 177.300 -0.259 0.000 1.195 1090 P CA -0.237 62.573 63.100 -0.483 0.000 0.768 1090 P CB 0.455 31.622 31.700 -0.888 0.000 0.838 1091 L N 4.487 125.579 121.223 -0.219 0.000 2.380 1091 L HA 0.267 4.608 4.340 0.002 0.000 0.273 1091 L C -0.139 176.621 176.870 -0.182 0.000 1.138 1091 L CA 0.824 55.555 54.840 -0.183 0.000 0.832 1091 L CB -0.163 41.738 42.059 -0.263 0.000 1.124 1091 L HN 0.285 nan 8.230 nan 0.000 0.454 1092 M N 4.170 123.755 119.600 -0.026 0.000 2.664 1092 M HA 0.339 4.820 4.480 0.002 0.000 0.314 1092 M C -0.869 175.350 176.300 -0.135 0.000 1.200 1092 M CA -0.457 54.792 55.300 -0.085 0.000 0.916 1092 M CB 1.534 34.117 32.600 -0.027 0.000 1.717 1092 M HN 0.365 nan 8.290 nan 0.000 0.470 1093 Y N 1.147 121.426 120.300 -0.035 0.000 2.335 1093 Y HA 0.235 4.786 4.550 0.001 0.000 0.323 1093 Y C 0.857 176.728 175.900 -0.049 0.000 1.224 1093 Y CA 0.172 58.249 58.100 -0.038 0.000 1.241 1093 Y CB 0.688 39.126 38.460 -0.037 0.000 1.235 1093 Y HN 0.765 nan 8.280 nan 0.000 0.492 1094 N N 0.643 119.425 118.700 0.138 0.000 2.725 1094 N HA -0.249 4.492 4.740 0.002 0.000 0.249 1094 N C -0.746 174.747 175.510 -0.029 0.000 1.103 1094 N CA 0.853 53.942 53.050 0.066 0.000 0.707 1094 N CB -0.985 37.546 38.487 0.073 0.000 1.043 1094 N HN 0.602 nan 8.380 nan 0.000 0.553 1095 K N 0.930 121.235 120.400 -0.158 0.000 2.345 1095 K HA 0.296 4.617 4.320 0.002 0.000 0.255 1095 K C -0.477 175.805 176.600 -0.530 0.000 0.934 1095 K CA -0.493 55.573 56.287 -0.368 0.000 0.801 1095 K CB 1.503 33.676 32.500 -0.544 0.000 1.137 1095 K HN 0.017 nan 8.250 nan 0.000 0.424 1096 E N 2.897 122.890 120.200 -0.344 0.000 2.344 1096 E HA 0.088 4.439 4.350 0.002 0.000 0.270 1096 E C -1.152 175.252 176.600 -0.326 0.000 1.021 1096 E CA 0.256 56.526 56.400 -0.217 0.000 0.887 1096 E CB 0.602 30.229 29.700 -0.122 0.000 0.997 1096 E HN 0.397 nan 8.360 nan 0.000 0.429 1097 Y N 1.170 121.500 120.300 0.050 0.000 2.534 1097 Y HA 0.298 4.849 4.550 0.001 0.000 0.345 1097 Y C -0.768 175.198 175.900 0.109 0.000 1.031 1097 Y CA -1.206 56.971 58.100 0.130 0.000 1.022 1097 Y CB 1.266 39.950 38.460 0.372 0.000 1.292 1097 Y HN 0.430 nan 8.280 nan 0.000 0.459 1098 Y N 1.687 122.243 120.300 0.427 0.000 2.376 1098 Y HA 0.558 5.109 4.550 0.002 0.000 0.325 1098 Y C 0.069 176.073 175.900 0.172 0.000 1.199 1098 Y CA -0.907 57.387 58.100 0.323 0.000 1.206 1098 Y CB 1.171 39.752 38.460 0.202 0.000 1.229 1098 Y HN 0.347 nan 8.280 nan 0.000 0.480 1099 M N 2.805 122.538 119.600 0.221 0.000 2.363 1099 M HA 0.338 4.819 4.480 0.002 0.000 0.343 1099 M C -1.332 175.054 176.300 0.142 0.000 1.165 1099 M CA -0.540 54.710 55.300 -0.082 0.000 1.046 1099 M CB 1.406 33.675 32.600 -0.551 0.000 1.648 1099 M HN 0.605 nan 8.290 nan 0.000 0.452 1100 F N 2.909 122.843 119.950 -0.027 0.000 2.546 1100 F HA 0.512 5.040 4.527 0.002 0.000 0.320 1100 F C -0.812 175.008 175.800 0.033 0.000 1.076 1100 F CA -0.713 57.286 58.000 -0.001 0.000 0.928 1100 F CB 1.250 40.201 39.000 -0.083 0.000 1.189 1100 F HN 0.482 nan 8.300 nan 0.000 0.465 1101 N N 4.031 122.128 118.700 -1.005 0.000 2.483 1101 N HA 0.330 5.071 4.740 0.002 0.000 0.267 1101 N C 0.209 175.030 175.510 -1.149 0.000 0.998 1101 N CA 0.188 52.597 53.050 -1.069 0.000 0.918 1101 N CB 1.997 39.886 38.487 -0.998 0.000 1.215 1101 N HN 0.890 nan 8.380 nan 0.000 0.500 1102 A N 2.710 125.059 122.820 -0.784 0.000 2.076 1102 A HA -0.033 4.288 4.320 0.002 0.000 0.220 1102 A C 1.710 179.109 177.584 -0.308 0.000 1.160 1102 A CA 1.826 53.626 52.037 -0.396 0.000 0.653 1102 A CB -0.383 18.561 19.000 -0.093 0.000 0.801 1102 A HN 0.692 nan 8.150 nan 0.000 0.455 1103 G N -1.087 107.487 108.800 -0.377 0.000 2.603 1103 G HA2 0.109 4.070 3.960 0.002 0.000 0.214 1103 G HA3 0.109 4.070 3.960 0.002 0.000 0.214 1103 G C 0.210 174.976 174.900 -0.223 0.000 1.140 1103 G CA 0.357 45.312 45.100 -0.241 0.000 0.800 1103 G HN 0.553 nan 8.290 nan 0.000 0.533 1104 N N -0.177 118.333 118.700 -0.316 0.000 2.733 1104 N HA 0.248 4.989 4.740 0.002 0.000 0.271 1104 N C 0.754 176.104 175.510 -0.266 0.000 1.720 1104 N CA -0.369 52.542 53.050 -0.230 0.000 0.803 1104 N CB 1.361 39.731 38.487 -0.196 0.000 1.208 1104 N HN 0.014 nan 8.380 nan 0.000 0.498 1105 K N 0.222 120.492 120.400 -0.217 0.000 2.077 1105 K HA -0.158 4.163 4.320 0.002 0.000 0.213 1105 K C 0.446 177.071 176.600 0.042 0.000 1.051 1105 K CA 1.213 57.443 56.287 -0.096 0.000 0.929 1105 K CB -0.016 32.554 32.500 0.116 0.000 0.715 1105 K HN 0.340 nan 8.250 nan 0.000 0.451 1106 N N 0.626 119.349 118.700 0.038 0.000 2.362 1106 N HA 0.042 4.783 4.740 0.002 0.000 0.211 1106 N C -0.636 174.916 175.510 0.069 0.000 1.170 1106 N CA 0.250 53.351 53.050 0.084 0.000 0.828 1106 N CB 0.647 39.178 38.487 0.074 0.000 1.034 1106 N HN 0.004 nan 8.380 nan 0.000 0.475 1107 S N 0.219 115.930 115.700 0.020 0.000 2.607 1107 S HA 0.672 5.143 4.470 0.002 0.000 0.303 1107 S C -0.756 173.902 174.600 0.097 0.000 1.086 1107 S CA -0.675 57.516 58.200 -0.014 0.000 0.995 1107 S CB 1.519 64.667 63.200 -0.087 0.000 1.084 1107 S HN 0.377 nan 8.310 nan 0.000 0.507 1108 Y N -1.296 119.009 120.300 0.007 0.000 2.609 1108 Y HA 0.736 5.287 4.550 0.002 0.000 0.336 1108 Y C -1.685 174.225 175.900 0.017 0.000 1.129 1108 Y CA -1.420 56.701 58.100 0.034 0.000 1.040 1108 Y CB 0.360 38.852 38.460 0.053 0.000 1.310 1108 Y HN 0.489 nan 8.280 nan 0.000 0.460 1109 I N 2.958 123.651 120.570 0.205 0.000 2.353 1109 I HA 0.449 4.620 4.170 0.002 0.000 0.293 1109 I C -0.375 175.820 176.117 0.130 0.000 0.992 1109 I CA -0.620 60.696 61.300 0.025 0.000 1.268 1109 I CB 1.553 39.425 38.000 -0.213 0.000 1.387 1109 I HN 0.621 nan 8.210 nan 0.000 0.478 1110 K N 6.012 126.429 120.400 0.029 0.000 2.427 1110 K HA 0.425 4.746 4.320 0.002 0.000 0.252 1110 K C -1.299 175.311 176.600 0.016 0.000 0.931 1110 K CA -0.948 55.379 56.287 0.065 0.000 0.793 1110 K CB 1.977 34.543 32.500 0.110 0.000 1.211 1110 K HN 0.430 nan 8.250 nan 0.000 0.426 1111 L N 4.288 125.519 121.223 0.014 0.000 2.500 1111 L HA 0.176 4.517 4.340 0.002 0.000 0.272 1111 L C -0.089 176.828 176.870 0.079 0.000 1.149 1111 L CA 0.572 55.449 54.840 0.062 0.000 0.897 1111 L CB 0.111 42.239 42.059 0.114 0.000 1.178 1111 L HN 0.589 nan 8.230 nan 0.000 0.473 1112 K N 4.305 124.768 120.400 0.105 0.000 2.448 1112 K HA -0.060 4.261 4.320 0.002 0.000 0.278 1112 K C 1.126 177.783 176.600 0.094 0.000 1.009 1112 K CA 0.299 56.645 56.287 0.098 0.000 0.995 1112 K CB 0.666 33.253 32.500 0.145 0.000 0.917 1112 K HN 0.797 nan 8.250 nan 0.000 0.481 1113 K N 2.903 123.345 120.400 0.070 0.000 2.001 1113 K HA -0.247 4.074 4.320 0.002 0.000 0.214 1113 K C 1.153 177.801 176.600 0.079 0.000 1.050 1113 K CA 2.605 58.930 56.287 0.064 0.000 0.934 1113 K CB -0.065 32.463 32.500 0.047 0.000 0.718 1113 K HN 0.820 nan 8.250 nan 0.000 0.443 1114 D N -0.370 120.076 120.400 0.076 0.000 2.162 1114 D HA -0.083 4.558 4.640 0.002 0.000 0.203 1114 D C 0.527 176.880 176.300 0.089 0.000 0.967 1114 D CA 0.718 54.764 54.000 0.076 0.000 0.840 1114 D CB -0.031 40.807 40.800 0.063 0.000 0.972 1114 D HN 0.163 nan 8.370 nan 0.000 0.482 1115 S N -0.910 114.850 115.700 0.099 0.000 2.607 1115 S HA 0.486 4.957 4.470 0.002 0.000 0.303 1115 S C -2.376 172.297 174.600 0.120 0.000 1.086 1115 S CA -1.489 56.773 58.200 0.102 0.000 0.995 1115 S CB 1.886 65.134 63.200 0.080 0.000 1.084 1115 S HN -0.009 nan 8.310 nan 0.000 0.507 1116 P HA 0.142 nan 4.420 nan 0.000 0.254 1116 P C -0.016 177.308 177.300 0.040 0.000 1.631 1116 P CA -0.030 63.063 63.100 -0.012 0.000 0.861 1116 P CB -0.660 30.848 31.700 -0.321 0.000 1.663 1117 V N -3.472 116.524 119.914 0.137 0.000 2.919 1117 V HA 0.943 5.064 4.120 0.002 0.000 0.316 1117 V C 0.114 176.358 176.094 0.251 0.000 1.077 1117 V CA -1.071 61.348 62.300 0.198 0.000 0.977 1117 V CB 1.793 33.719 31.823 0.172 0.000 1.039 1117 V HN 0.077 nan 8.190 nan 0.000 0.441 1118 G N 2.224 111.224 108.800 0.333 0.000 2.384 1118 G HA2 0.581 4.542 3.960 0.002 0.000 0.316 1118 G HA3 0.581 4.542 3.960 0.002 0.000 0.316 1118 G C -0.312 174.742 174.900 0.257 0.000 1.160 1118 G CA -0.446 44.805 45.100 0.252 0.000 0.936 1118 G HN 1.052 nan 8.290 nan 0.000 0.455 1119 E N 2.169 122.419 120.200 0.083 0.000 2.318 1119 E HA 0.399 4.750 4.350 0.002 0.000 0.265 1119 E C -0.605 175.891 176.600 -0.173 0.000 1.069 1119 E CA -0.841 55.464 56.400 -0.158 0.000 0.893 1119 E CB 1.546 31.115 29.700 -0.218 0.000 1.076 1119 E HN 0.108 nan 8.360 nan 0.000 0.414 1120 I N 3.173 123.592 120.570 -0.251 0.000 2.307 1120 I HA 0.261 4.432 4.170 0.002 0.000 0.289 1120 I C -0.085 175.832 176.117 -0.333 0.000 1.021 1120 I CA -0.530 60.636 61.300 -0.224 0.000 1.224 1120 I CB 0.234 38.174 38.000 -0.100 0.000 1.376 1120 I HN 0.537 nan 8.210 nan 0.000 0.470 1121 L N 4.767 125.644 121.223 -0.575 0.000 2.313 1121 L HA 0.547 4.888 4.340 0.002 0.000 0.268 1121 L C 0.576 177.086 176.870 -0.600 0.000 1.010 1121 L CA -0.832 53.639 54.840 -0.617 0.000 0.814 1121 L CB 1.647 43.273 42.059 -0.722 0.000 1.304 1121 L HN 0.399 nan 8.230 nan 0.000 0.441 1122 T N 0.999 115.407 114.554 -0.242 0.000 2.851 1122 T HA 0.237 4.588 4.350 0.002 0.000 0.298 1122 T C 0.289 175.123 174.700 0.224 0.000 0.977 1122 T CA -0.400 61.686 62.100 -0.024 0.000 1.126 1122 T CB 0.324 69.197 68.868 0.008 0.000 0.916 1122 T HN 0.385 nan 8.240 nan 0.000 0.529 1123 R N 2.193 122.875 120.500 0.303 0.000 2.570 1123 R HA 0.216 4.557 4.340 0.002 0.000 0.277 1123 R C 0.884 177.301 176.300 0.194 0.000 1.039 1123 R CA -0.272 56.033 56.100 0.341 0.000 1.065 1123 R CB 0.346 30.784 30.300 0.231 0.000 0.964 1123 R HN 0.755 nan 8.270 nan 0.000 0.428 1124 S N 2.367 118.152 115.700 0.142 0.000 2.603 1124 S HA 0.252 4.723 4.470 0.002 0.000 0.268 1124 S C -0.052 174.584 174.600 0.060 0.000 1.317 1124 S CA -0.792 57.457 58.200 0.082 0.000 1.012 1124 S CB 1.182 64.415 63.200 0.054 0.000 0.926 1124 S HN 0.623 nan 8.310 nan 0.000 0.539 1125 K N -0.223 120.186 120.400 0.015 0.000 2.316 1125 K HA 0.396 4.717 4.320 0.002 0.000 0.234 1125 K C -0.978 175.537 176.600 -0.142 0.000 1.054 1125 K CA -1.073 55.188 56.287 -0.043 0.000 0.879 1125 K CB 0.335 32.822 32.500 -0.021 0.000 1.252 1125 K HN 0.533 nan 8.250 nan 0.000 0.471 1126 Y N 2.064 122.053 120.300 -0.518 0.000 2.802 1126 Y HA -0.108 4.444 4.550 0.002 0.000 0.333 1126 Y C 0.508 176.279 175.900 -0.215 0.000 1.244 1126 Y CA 0.407 58.163 58.100 -0.573 0.000 1.558 1126 Y CB 0.053 38.070 38.460 -0.739 0.000 1.233 1126 Y HN 0.629 nan 8.280 nan 0.000 0.547 1127 N N 3.891 122.242 118.700 -0.582 0.000 2.336 1127 N HA -0.075 4.666 4.740 0.002 0.000 0.177 1127 N C 0.279 175.418 175.510 -0.617 0.000 1.018 1127 N CA 0.500 53.270 53.050 -0.466 0.000 0.878 1127 N CB 0.097 38.441 38.487 -0.239 0.000 0.997 1127 N HN 0.745 nan 8.380 nan 0.000 0.433 1128 Q N 0.798 120.020 119.800 -0.963 0.000 2.967 1128 Q HA -0.032 4.309 4.340 0.002 0.000 0.201 1128 Q C 0.635 176.368 176.000 -0.444 0.000 1.148 1128 Q CA 0.501 55.947 55.803 -0.594 0.000 1.177 1128 Q CB 0.184 28.727 28.738 -0.325 0.000 1.323 1128 Q HN 0.381 nan 8.270 nan 0.000 0.676 1129 N N -1.755 116.881 118.700 -0.106 0.000 2.203 1129 N HA 0.066 4.807 4.740 0.002 0.000 0.207 1129 N C -0.500 175.081 175.510 0.118 0.000 1.130 1129 N CA -0.182 52.870 53.050 0.004 0.000 0.861 1129 N CB 0.745 39.224 38.487 -0.014 0.000 1.005 1129 N HN 0.212 nan 8.380 nan 0.000 0.507 1130 S N 0.915 116.777 115.700 0.270 0.000 2.558 1130 S HA -0.039 4.432 4.470 0.002 0.000 0.293 1130 S C 1.282 175.939 174.600 0.095 0.000 1.292 1130 S CA -0.320 58.003 58.200 0.204 0.000 1.063 1130 S CB 0.462 63.805 63.200 0.238 0.000 0.831 1130 S HN 0.575 nan 8.310 nan 0.000 0.499 1131 K N 3.667 124.013 120.400 -0.090 0.000 2.418 1131 K HA -0.012 4.309 4.320 0.002 0.000 0.195 1131 K C 0.726 177.159 176.600 -0.278 0.000 1.035 1131 K CA 0.990 57.147 56.287 -0.217 0.000 1.003 1131 K CB -0.163 32.121 32.500 -0.360 0.000 0.793 1131 K HN 0.723 nan 8.250 nan 0.000 0.494 1132 Y N 2.178 122.445 120.300 -0.055 0.000 2.517 1132 Y HA 0.223 4.774 4.550 0.002 0.000 0.281 1132 Y C 1.177 176.964 175.900 -0.188 0.000 1.125 1132 Y CA -0.406 57.627 58.100 -0.111 0.000 1.283 1132 Y CB 0.235 38.612 38.460 -0.139 0.000 1.042 1132 Y HN 0.111 nan 8.280 nan 0.000 0.547 1133 I N -2.174 118.334 120.570 -0.102 0.000 2.769 1133 I HA 0.516 4.687 4.170 0.002 0.000 0.298 1133 I C -1.144 174.868 176.117 -0.174 0.000 1.128 1133 I CA -1.123 60.038 61.300 -0.233 0.000 1.031 1133 I CB 2.506 40.161 38.000 -0.574 0.000 1.235 1133 I HN -0.124 nan 8.210 nan 0.000 0.423 1134 N N 3.573 122.274 118.700 0.002 0.000 2.446 1134 N HA 0.523 5.264 4.740 0.002 0.000 0.272 1134 N C -2.084 173.583 175.510 0.261 0.000 1.127 1134 N CA -0.192 52.903 53.050 0.075 0.000 0.896 1134 N CB 2.950 41.500 38.487 0.105 0.000 1.658 1134 N HN 0.873 nan 8.380 nan 0.000 0.483 1135 Y N -0.541 119.889 120.300 0.216 0.000 2.779 1135 Y HA 0.577 5.128 4.550 0.002 0.000 0.340 1135 Y C -1.669 174.382 175.900 0.252 0.000 1.252 1135 Y CA -1.113 57.147 58.100 0.266 0.000 1.072 1135 Y CB 0.639 39.315 38.460 0.360 0.000 1.343 1135 Y HN 0.275 nan 8.280 nan 0.000 0.450 1136 R N 1.134 121.919 120.500 0.475 0.000 2.732 1136 R HA 0.344 4.685 4.340 0.002 0.000 0.278 1136 R C -1.376 175.181 176.300 0.428 0.000 0.976 1136 R CA -0.937 55.347 56.100 0.306 0.000 0.963 1136 R CB 1.429 31.857 30.300 0.213 0.000 1.150 1136 R HN 0.791 nan 8.270 nan 0.000 0.478 1137 D N 2.076 122.634 120.400 0.263 0.000 2.382 1137 D HA 0.073 4.714 4.640 0.002 0.000 0.245 1137 D C 1.183 177.456 176.300 -0.044 0.000 1.120 1137 D CA 0.098 54.208 54.000 0.184 0.000 0.890 1137 D CB 1.220 42.072 40.800 0.086 0.000 1.201 1137 D HN 0.331 nan 8.370 nan 0.000 0.433 1138 L N 1.096 122.171 121.223 -0.247 0.000 2.537 1138 L HA 0.037 4.378 4.340 0.002 0.000 0.224 1138 L C 0.351 176.955 176.870 -0.444 0.000 1.065 1138 L CA 0.195 54.752 54.840 -0.471 0.000 0.860 1138 L CB 0.160 41.682 42.059 -0.895 0.000 1.086 1138 L HN 0.323 nan 8.230 nan 0.000 0.482 1139 Y N 1.671 121.700 120.300 -0.452 0.000 2.736 1139 Y HA 0.493 5.044 4.550 0.001 0.000 0.339 1139 Y C 0.056 175.443 175.900 -0.854 0.000 1.301 1139 Y CA -0.903 56.606 58.100 -0.985 0.000 1.676 1139 Y CB -0.289 37.903 38.460 -0.446 0.000 1.725 1139 Y HN -0.001 nan 8.280 nan 0.000 0.466 1140 I N -0.736 119.426 120.570 -0.680 0.000 3.181 1140 I HA 0.789 4.960 4.170 0.002 0.000 0.311 1140 I C 0.250 176.249 176.117 -0.196 0.000 1.287 1140 I CA -0.322 60.725 61.300 -0.422 0.000 0.958 1140 I CB 2.204 39.828 38.000 -0.626 0.000 1.294 1140 I HN 0.502 nan 8.210 nan 0.000 0.467 1141 G N 3.102 111.788 108.800 -0.192 0.000 2.760 1141 G HA2 -0.116 3.845 3.960 0.002 0.000 0.246 1141 G HA3 -0.116 3.845 3.960 0.002 0.000 0.246 1141 G C -0.849 174.198 174.900 0.245 0.000 1.359 1141 G CA -0.526 44.681 45.100 0.177 0.000 0.861 1141 G HN 0.710 nan 8.290 nan 0.000 0.541 1142 E N 0.489 120.775 120.200 0.143 0.000 2.422 1142 E HA 0.265 4.616 4.350 0.002 0.000 0.260 1142 E C 0.469 177.028 176.600 -0.068 0.000 1.108 1142 E CA 0.265 56.617 56.400 -0.080 0.000 0.943 1142 E CB 0.424 29.801 29.700 -0.539 0.000 0.961 1142 E HN 0.485 nan 8.360 nan 0.000 0.443 1143 K N 1.965 122.289 120.400 -0.127 0.000 2.292 1143 K HA 0.293 4.614 4.320 0.002 0.000 0.270 1143 K C -0.521 176.037 176.600 -0.070 0.000 1.062 1143 K CA -0.267 55.939 56.287 -0.135 0.000 0.916 1143 K CB 0.417 32.871 32.500 -0.077 0.000 1.166 1143 K HN 0.198 nan 8.250 nan 0.000 0.458 1144 F N 2.274 122.278 119.950 0.089 0.000 2.380 1144 F HA 0.557 5.085 4.527 0.002 0.000 0.319 1144 F C 0.329 176.188 175.800 0.099 0.000 1.113 1144 F CA -1.012 57.070 58.000 0.137 0.000 1.056 1144 F CB 0.733 39.861 39.000 0.214 0.000 1.289 1144 F HN 0.314 nan 8.300 nan 0.000 0.515 1145 I N 1.285 122.007 120.570 0.253 0.000 2.685 1145 I HA 0.359 4.530 4.170 0.002 0.000 0.289 1145 I C -1.498 174.689 176.117 0.117 0.000 1.292 1145 I CA -0.309 61.064 61.300 0.121 0.000 1.050 1145 I CB 1.157 39.178 38.000 0.035 0.000 1.301 1145 I HN 0.374 nan 8.210 nan 0.000 0.425 1146 I N 7.256 127.874 120.570 0.080 0.000 2.352 1146 I HA 0.392 4.563 4.170 0.002 0.000 0.290 1146 I C -0.089 176.156 176.117 0.213 0.000 1.036 1146 I CA -0.576 60.763 61.300 0.065 0.000 1.336 1146 I CB 0.436 38.342 38.000 -0.155 0.000 1.407 1146 I HN 0.375 nan 8.210 nan 0.000 0.497 1147 R N 5.675 126.322 120.500 0.244 0.000 2.532 1147 R HA 0.465 4.807 4.340 0.002 0.000 0.295 1147 R C -0.249 176.157 176.300 0.175 0.000 0.968 1147 R CA -0.968 55.278 56.100 0.242 0.000 0.916 1147 R CB 1.572 32.023 30.300 0.252 0.000 1.124 1147 R HN 0.613 nan 8.270 nan 0.000 0.463 1148 R N 1.245 121.698 120.500 -0.079 0.000 2.582 1148 R HA 0.017 4.358 4.340 0.002 0.000 0.271 1148 R C 0.766 176.913 176.300 -0.254 0.000 1.078 1148 R CA -0.024 55.868 56.100 -0.346 0.000 1.127 1148 R CB 0.708 30.598 30.300 -0.683 0.000 1.038 1148 R HN 0.464 nan 8.270 nan 0.000 0.500 1149 K N 1.284 121.504 120.400 -0.299 0.000 2.102 1149 K HA 0.159 4.480 4.320 0.002 0.000 0.206 1149 K C 0.309 176.816 176.600 -0.154 0.000 1.031 1149 K CA 0.873 56.934 56.287 -0.377 0.000 0.962 1149 K CB -0.059 32.228 32.500 -0.355 0.000 0.811 1149 K HN 0.525 nan 8.250 nan 0.000 0.453 1150 S N 1.616 117.254 115.700 -0.102 0.000 2.602 1150 S HA 0.022 4.493 4.470 0.002 0.000 0.257 1150 S C -1.030 173.537 174.600 -0.056 0.000 1.250 1150 S CA 0.024 58.192 58.200 -0.054 0.000 0.986 1150 S CB -0.216 62.968 63.200 -0.026 0.000 1.040 1150 S HN 0.653 nan 8.310 nan 0.000 0.562 1151 N N 1.207 119.886 118.700 -0.034 0.000 2.606 1151 N HA -0.193 4.549 4.740 0.002 0.000 0.326 1151 N C -0.509 174.980 175.510 -0.036 0.000 1.177 1151 N CA 0.686 53.718 53.050 -0.030 0.000 0.715 1151 N CB -0.573 37.895 38.487 -0.032 0.000 1.022 1151 N HN 0.555 nan 8.380 nan 0.000 0.557 1152 S N -0.252 115.440 115.700 -0.014 0.000 3.919 1152 S HA 0.309 4.780 4.470 0.002 0.000 0.245 1152 S C 0.860 175.453 174.600 -0.011 0.000 1.344 1152 S CA 0.052 58.247 58.200 -0.008 0.000 0.896 1152 S CB 0.568 63.775 63.200 0.011 0.000 1.557 1152 S HN 0.926 nan 8.310 nan 0.000 0.468 1153 Q N 1.496 121.281 119.800 -0.026 0.000 2.640 1153 Q HA 0.654 4.995 4.340 0.002 0.000 0.389 1153 Q C 0.528 176.516 176.000 -0.021 0.000 1.012 1153 Q CA -0.281 55.510 55.803 -0.021 0.000 1.060 1153 Q CB -0.919 27.802 28.738 -0.029 0.000 1.332 1153 Q HN 0.869 nan 8.270 nan 0.000 0.418 1154 S N -0.442 115.252 115.700 -0.010 0.000 3.538 1154 S HA -0.202 4.269 4.470 0.002 0.000 0.640 1154 S C 0.535 175.130 174.600 -0.008 0.000 2.388 1154 S CA 0.730 58.929 58.200 -0.002 0.000 2.560 1154 S CB -0.819 62.381 63.200 0.001 0.000 0.328 1154 S HN 1.652 nan 8.310 nan 0.000 1.791 1155 I N -1.568 119.006 120.570 0.006 0.000 2.859 1155 I HA 0.562 4.733 4.170 0.002 0.000 0.296 1155 I C 0.650 176.778 176.117 0.018 0.000 1.300 1155 I CA -0.121 61.187 61.300 0.014 0.000 1.020 1155 I CB -0.295 37.727 38.000 0.037 0.000 1.823 1155 I HN 0.611 nan 8.210 nan 0.000 0.599 1156 N N 2.965 121.669 118.700 0.007 0.000 2.255 1156 N HA 0.106 4.848 4.740 0.002 0.000 0.192 1156 N C 0.431 175.951 175.510 0.016 0.000 1.049 1156 N CA 1.218 54.273 53.050 0.009 0.000 0.886 1156 N CB -0.017 38.472 38.487 0.003 0.000 1.064 1156 N HN 0.658 nan 8.380 nan 0.000 0.457 1157 D N -2.382 118.030 120.400 0.021 0.000 2.898 1157 D HA 0.398 5.039 4.640 0.002 0.000 0.254 1157 D C -2.247 174.085 176.300 0.054 0.000 1.107 1157 D CA -0.364 53.661 54.000 0.042 0.000 0.729 1157 D CB 1.892 42.700 40.800 0.014 0.000 1.734 1157 D HN 0.494 nan 8.370 nan 0.000 0.452 1158 D N -0.315 120.155 120.400 0.117 0.000 2.769 1158 D HA 0.381 5.022 4.640 0.002 0.000 0.309 1158 D C -1.161 175.254 176.300 0.191 0.000 1.315 1158 D CA -0.466 53.611 54.000 0.130 0.000 0.780 1158 D CB 1.169 42.032 40.800 0.106 0.000 1.312 1158 D HN 0.245 nan 8.370 nan 0.000 0.437 1159 I N 1.100 121.745 120.570 0.126 0.000 2.440 1159 I HA 0.354 4.525 4.170 0.002 0.000 0.294 1159 I C -0.099 176.054 176.117 0.060 0.000 0.995 1159 I CA -0.943 60.362 61.300 0.009 0.000 1.306 1159 I CB 1.539 39.495 38.000 -0.074 0.000 1.407 1159 I HN 0.112 nan 8.210 nan 0.000 0.501 1160 V N 7.084 126.860 119.914 -0.229 0.000 2.385 1160 V HA 0.329 4.451 4.120 0.002 0.000 0.269 1160 V C 0.349 176.386 176.094 -0.095 0.000 1.043 1160 V CA -0.518 61.573 62.300 -0.349 0.000 0.906 1160 V CB 0.417 31.852 31.823 -0.646 0.000 0.995 1160 V HN 0.676 nan 8.190 nan 0.000 0.467 1161 R N 3.249 123.743 120.500 -0.010 0.000 2.668 1161 R HA 0.494 4.836 4.340 0.002 0.000 0.279 1161 R C -0.257 175.990 176.300 -0.088 0.000 0.976 1161 R CA -1.052 55.037 56.100 -0.018 0.000 0.978 1161 R CB 1.766 32.074 30.300 0.014 0.000 1.133 1161 R HN 0.595 nan 8.270 nan 0.000 0.484 1162 K N 2.312 122.639 120.400 -0.122 0.000 2.527 1162 K HA -0.129 4.193 4.320 0.002 0.000 0.278 1162 K C 0.060 176.557 176.600 -0.173 0.000 0.981 1162 K CA 0.517 56.705 56.287 -0.165 0.000 1.009 1162 K CB 0.239 32.632 32.500 -0.179 0.000 0.895 1162 K HN 0.606 nan 8.250 nan 0.000 0.493 1163 E N -0.426 119.637 120.200 -0.229 0.000 3.916 1163 E HA -0.196 4.155 4.350 0.002 0.000 0.331 1163 E C -0.754 175.600 176.600 -0.410 0.000 0.729 1163 E CA 1.025 57.247 56.400 -0.296 0.000 1.222 1163 E CB -1.348 28.227 29.700 -0.207 0.000 1.633 1163 E HN 0.682 nan 8.360 nan 0.000 0.437 1164 D N -0.190 120.037 120.400 -0.288 0.000 2.362 1164 D HA 0.218 4.859 4.640 0.002 0.000 0.242 1164 D C 0.118 176.207 176.300 -0.353 0.000 1.132 1164 D CA 0.235 54.099 54.000 -0.227 0.000 0.907 1164 D CB 0.236 41.029 40.800 -0.012 0.000 1.195 1164 D HN -0.004 nan 8.370 nan 0.000 0.429 1165 Y N 1.174 121.449 120.300 -0.041 0.000 2.326 1165 Y HA 0.399 4.951 4.550 0.002 0.000 0.337 1165 Y C 0.688 176.511 175.900 -0.129 0.000 1.023 1165 Y CA -0.644 57.402 58.100 -0.091 0.000 1.143 1165 Y CB 0.768 39.169 38.460 -0.099 0.000 1.183 1165 Y HN 0.184 nan 8.280 nan 0.000 0.485 1166 I N -1.047 119.516 120.570 -0.012 0.000 3.279 1166 I HA 0.594 4.765 4.170 0.002 0.000 0.315 1166 I C -1.935 174.110 176.117 -0.119 0.000 1.187 1166 I CA -1.417 59.836 61.300 -0.079 0.000 0.953 1166 I CB 2.780 40.811 38.000 0.051 0.000 1.279 1166 I HN 0.413 nan 8.210 nan 0.000 0.465 1167 Y N 1.872 122.220 120.300 0.080 0.000 2.377 1167 Y HA 0.601 5.153 4.550 0.002 0.000 0.339 1167 Y C -0.616 175.313 175.900 0.049 0.000 1.011 1167 Y CA -1.082 57.047 58.100 0.049 0.000 1.093 1167 Y CB 2.323 40.809 38.460 0.044 0.000 1.201 1167 Y HN 0.402 nan 8.280 nan 0.000 0.455 1168 L N 4.619 125.969 121.223 0.212 0.000 2.283 1168 L HA 0.503 4.844 4.340 0.002 0.000 0.281 1168 L C -1.234 175.802 176.870 0.276 0.000 1.033 1168 L CA -0.152 54.814 54.840 0.210 0.000 0.848 1168 L CB -0.114 42.044 42.059 0.164 0.000 1.226 1168 L HN 0.549 nan 8.230 nan 0.000 0.429 1169 D N 3.852 124.407 120.400 0.260 0.000 2.506 1169 D HA 0.707 5.348 4.640 0.002 0.000 0.254 1169 D C -0.787 175.672 176.300 0.265 0.000 1.089 1169 D CA 0.236 54.359 54.000 0.206 0.000 1.050 1169 D CB 1.537 42.316 40.800 -0.035 0.000 1.221 1169 D HN 0.328 nan 8.370 nan 0.000 0.589 1170 F N -1.866 117.906 119.950 -0.296 0.000 2.713 1170 F HA 0.636 5.164 4.527 0.001 0.000 0.311 1170 F C -1.835 173.592 175.800 -0.622 0.000 1.141 1170 F CA -1.507 56.157 58.000 -0.560 0.000 0.939 1170 F CB 0.494 38.992 39.000 -0.837 0.000 1.325 1170 F HN 0.031 nan 8.300 nan 0.000 0.453 1171 F N 1.857 121.651 119.950 -0.260 0.000 2.410 1171 F HA 0.480 5.008 4.527 0.001 0.000 0.349 1171 F C 0.021 175.540 175.800 -0.468 0.000 1.117 1171 F CA -0.472 57.314 58.000 -0.357 0.000 1.104 1171 F CB 1.370 40.247 39.000 -0.205 0.000 1.122 1171 F HN 0.579 nan 8.300 nan 0.000 0.483 1172 N N 4.908 123.289 118.700 -0.532 0.000 2.569 1172 N HA 0.615 5.356 4.740 0.002 0.000 0.254 1172 N C -0.240 175.027 175.510 -0.405 0.000 1.004 1172 N CA -0.150 52.493 53.050 -0.678 0.000 0.904 1172 N CB 0.419 37.947 38.487 -1.599 0.000 1.165 1172 N HN 0.672 nan 8.380 nan 0.000 0.513 1173 L N 0.899 121.993 121.223 -0.215 0.000 6.783 1173 L HA -0.424 3.917 4.340 0.002 0.000 0.053 1173 L C 0.895 177.714 176.870 -0.086 0.000 2.106 1173 L CA 1.138 55.902 54.840 -0.127 0.000 1.534 1173 L CB -1.157 40.831 42.059 -0.118 0.000 2.866 1173 L HN 0.513 nan 8.230 nan 0.000 1.099 1174 N N 0.056 118.723 118.700 -0.055 0.000 2.398 1174 N HA 0.064 4.805 4.740 0.002 0.000 0.188 1174 N C 0.055 175.585 175.510 0.033 0.000 1.122 1174 N CA 0.508 53.545 53.050 -0.022 0.000 0.866 1174 N CB 0.289 38.768 38.487 -0.013 0.000 0.970 1174 N HN 0.377 nan 8.380 nan 0.000 0.462 1175 Q N -0.179 119.636 119.800 0.025 0.000 2.204 1175 Q HA 0.269 4.610 4.340 0.002 0.000 0.254 1175 Q C -0.893 175.154 176.000 0.078 0.000 0.981 1175 Q CA -0.656 55.204 55.803 0.094 0.000 0.897 1175 Q CB 1.636 30.499 28.738 0.208 0.000 1.273 1175 Q HN 0.161 nan 8.270 nan 0.000 0.464 1176 E N 0.939 121.202 120.200 0.104 0.000 2.129 1176 E HA 0.212 4.563 4.350 0.002 0.000 0.268 1176 E C -1.366 175.247 176.600 0.022 0.000 0.900 1176 E CA -0.480 55.855 56.400 -0.109 0.000 0.755 1176 E CB 0.725 30.359 29.700 -0.110 0.000 1.117 1176 E HN 0.366 nan 8.360 nan 0.000 0.410 1177 W N 2.665 123.590 121.300 -0.625 0.000 2.568 1177 W HA 0.544 5.205 4.660 0.001 0.000 0.396 1177 W C 0.239 176.537 176.519 -0.368 0.000 1.554 1177 W CA -0.837 56.165 57.345 -0.571 0.000 1.605 1177 W CB 0.721 29.602 29.460 -0.966 0.000 1.543 1177 W HN 0.467 nan 8.180 nan 0.000 0.692 1178 R N -0.140 120.395 120.500 0.060 0.000 2.808 1178 R HA 0.669 5.010 4.340 0.002 0.000 0.272 1178 R C -1.816 174.452 176.300 -0.052 0.000 0.995 1178 R CA -0.655 55.395 56.100 -0.084 0.000 0.917 1178 R CB 1.825 31.825 30.300 -0.501 0.000 1.217 1178 R HN 0.216 nan 8.270 nan 0.000 0.471 1179 V N 3.527 123.412 119.914 -0.047 0.000 2.407 1179 V HA 0.450 4.571 4.120 0.002 0.000 0.278 1179 V C -1.025 175.059 176.094 -0.017 0.000 1.037 1179 V CA -0.206 62.164 62.300 0.116 0.000 0.900 1179 V CB 0.872 32.864 31.823 0.281 0.000 0.983 1179 V HN 0.608 nan 8.190 nan 0.000 0.459 1180 Y N 1.345 121.817 120.300 0.287 0.000 2.605 1180 Y HA 0.661 5.212 4.550 0.002 0.000 0.343 1180 Y C 0.333 176.309 175.900 0.126 0.000 1.036 1180 Y CA -0.963 57.294 58.100 0.262 0.000 1.065 1180 Y CB 2.380 40.923 38.460 0.138 0.000 1.288 1180 Y HN 0.441 nan 8.280 nan 0.000 0.481 1181 T N 1.214 115.879 114.554 0.185 0.000 2.840 1181 T HA 0.167 4.518 4.350 0.002 0.000 0.287 1181 T C -1.506 173.310 174.700 0.194 0.000 0.991 1181 T CA -0.615 61.448 62.100 -0.063 0.000 0.964 1181 T CB 0.191 68.659 68.868 -0.665 0.000 0.954 1181 T HN 0.418 nan 8.240 nan 0.000 0.438 1182 Y N 3.845 124.164 120.300 0.032 0.000 2.650 1182 Y HA 0.104 4.655 4.550 0.002 0.000 0.331 1182 Y C 1.422 177.070 175.900 -0.421 0.000 1.165 1182 Y CA -0.439 57.414 58.100 -0.413 0.000 1.473 1182 Y CB 0.434 38.689 38.460 -0.341 0.000 1.224 1182 Y HN 0.621 nan 8.280 nan 0.000 0.533 1183 K N 4.250 123.955 120.400 -1.160 0.000 2.152 1183 K HA -0.196 4.125 4.320 0.002 0.000 0.206 1183 K C -0.343 175.630 176.600 -1.045 0.000 1.048 1183 K CA 1.543 57.046 56.287 -1.308 0.000 0.933 1183 K CB -0.177 31.163 32.500 -1.934 0.000 0.721 1183 K HN 0.612 nan 8.250 nan 0.000 0.447 1184 Y N 1.026 120.734 120.300 -0.986 0.000 2.827 1184 Y HA 0.199 4.750 4.550 0.002 0.000 0.373 1184 Y C -0.300 175.548 175.900 -0.087 0.000 1.198 1184 Y CA -1.628 56.151 58.100 -0.534 0.000 1.589 1184 Y CB -0.657 37.458 38.460 -0.576 0.000 1.682 1184 Y HN -0.072 nan 8.280 nan 0.000 0.506 1185 F N -1.322 118.591 119.950 -0.061 0.000 2.470 1185 F HA 0.713 5.241 4.527 0.002 0.000 0.329 1185 F C 0.279 176.113 175.800 0.057 0.000 1.072 1185 F CA -2.271 55.775 58.000 0.076 0.000 0.989 1185 F CB 1.410 40.475 39.000 0.108 0.000 1.193 1185 F HN -0.078 nan 8.300 nan 0.000 0.481 1186 K N 0.859 121.250 120.400 -0.015 0.000 2.402 1186 K HA 0.237 4.558 4.320 0.002 0.000 0.204 1186 K C -0.077 176.472 176.600 -0.085 0.000 1.056 1186 K CA -0.230 55.980 56.287 -0.129 0.000 1.069 1186 K CB 0.591 33.071 32.500 -0.032 0.000 0.888 1186 K HN 0.548 nan 8.250 nan 0.000 0.546 1187 K N 0.985 121.410 120.400 0.042 0.000 2.127 1187 K HA 0.073 4.394 4.320 0.002 0.000 0.240 1187 K C 0.796 177.444 176.600 0.081 0.000 1.024 1187 K CA -0.293 56.041 56.287 0.078 0.000 0.918 1187 K CB 0.813 33.397 32.500 0.140 0.000 1.108 1187 K HN -0.181 nan 8.250 nan 0.000 0.485 1188 E N 1.155 121.393 120.200 0.063 0.000 2.160 1188 E HA -0.187 4.164 4.350 0.002 0.000 0.195 1188 E C 0.044 176.752 176.600 0.179 0.000 0.991 1188 E CA 1.470 57.917 56.400 0.078 0.000 0.810 1188 E CB 0.278 29.998 29.700 0.034 0.000 0.742 1188 E HN 0.515 nan 8.360 nan 0.000 0.466 1189 E N -0.718 119.588 120.200 0.177 0.000 2.456 1189 E HA 0.318 4.669 4.350 0.002 0.000 0.278 1189 E C -0.832 175.879 176.600 0.185 0.000 1.034 1189 E CA -0.779 55.738 56.400 0.194 0.000 0.846 1189 E CB 0.954 30.608 29.700 -0.078 0.000 1.460 1189 E HN 0.171 nan 8.360 nan 0.000 0.463 1190 E N -0.162 120.069 120.200 0.052 0.000 2.409 1190 E HA 0.464 4.816 4.350 0.002 0.000 0.280 1190 E C -1.252 175.386 176.600 0.064 0.000 1.079 1190 E CA -1.041 55.385 56.400 0.044 0.000 0.840 1190 E CB 1.278 30.866 29.700 -0.186 0.000 1.309 1190 E HN 0.322 nan 8.360 nan 0.000 0.447 1191 K N 1.115 121.557 120.400 0.070 0.000 2.237 1191 K HA 0.328 4.649 4.320 0.002 0.000 0.270 1191 K C -0.113 176.511 176.600 0.042 0.000 1.015 1191 K CA -0.441 55.884 56.287 0.063 0.000 0.949 1191 K CB 0.635 33.076 32.500 -0.099 0.000 0.976 1191 K HN 0.305 nan 8.250 nan 0.000 0.472 1192 L N 2.157 123.412 121.223 0.053 0.000 2.453 1192 L HA 0.245 4.586 4.340 0.002 0.000 0.261 1192 L C -0.052 176.948 176.870 0.217 0.000 1.179 1192 L CA -0.460 54.414 54.840 0.057 0.000 0.813 1192 L CB 0.169 42.154 42.059 -0.124 0.000 1.110 1192 L HN 0.481 nan 8.230 nan 0.000 0.466 1193 F N 2.933 122.950 119.950 0.112 0.000 2.404 1193 F HA 0.476 5.004 4.527 0.002 0.000 0.354 1193 F C -0.694 175.228 175.800 0.204 0.000 1.122 1193 F CA -0.558 57.504 58.000 0.102 0.000 1.080 1193 F CB 0.644 39.621 39.000 -0.039 0.000 1.131 1193 F HN 0.119 nan 8.300 nan 0.000 0.471 1194 L N 6.993 128.057 121.223 -0.265 0.000 2.280 1194 L HA 0.863 5.204 4.340 0.002 0.000 0.287 1194 L C -0.349 176.358 176.870 -0.272 0.000 1.023 1194 L CA -0.586 54.279 54.840 0.043 0.000 0.819 1194 L CB 1.009 43.285 42.059 0.363 0.000 1.212 1194 L HN 0.824 nan 8.230 nan 0.000 0.420 1195 A N 4.687 127.360 122.820 -0.245 0.000 2.586 1195 A HA 0.805 5.126 4.320 0.002 0.000 0.290 1195 A C -2.931 174.122 177.584 -0.884 0.000 1.086 1195 A CA -1.274 50.233 52.037 -0.884 0.000 0.665 1195 A CB 1.344 19.816 19.000 -0.880 0.000 1.279 1195 A HN 0.393 nan 8.150 nan 0.000 0.423 1196 P HA 0.150 nan 4.420 nan 0.000 0.270 1196 P C -0.485 176.645 177.300 -0.283 0.000 1.216 1196 P CA 0.248 62.782 63.100 -0.943 0.000 0.788 1196 P CB 0.200 31.489 31.700 -0.685 0.000 0.883 1197 I N 0.827 121.316 120.570 -0.134 0.000 2.556 1197 I HA 0.183 4.354 4.170 0.002 0.000 0.284 1197 I C 0.686 176.796 176.117 -0.012 0.000 1.114 1197 I CA 1.051 62.345 61.300 -0.010 0.000 1.418 1197 I CB 0.028 37.996 38.000 -0.054 0.000 1.394 1197 I HN 0.442 nan 8.210 nan 0.000 0.552 1198 S N 3.291 119.022 115.700 0.051 0.000 2.627 1198 S HA 0.271 4.742 4.470 0.002 0.000 0.268 1198 S C -1.413 173.196 174.600 0.014 0.000 1.130 1198 S CA -1.115 57.079 58.200 -0.011 0.000 0.819 1198 S CB 1.875 65.032 63.200 -0.073 0.000 1.100 1198 S HN 0.530 nan 8.310 nan 0.000 0.465 1199 D N 1.280 121.683 120.400 0.005 0.000 2.473 1199 D HA 0.570 5.211 4.640 0.002 0.000 0.226 1199 D C -0.726 175.587 176.300 0.021 0.000 1.089 1199 D CA 0.213 54.233 54.000 0.035 0.000 0.883 1199 D CB 1.333 42.158 40.800 0.042 0.000 1.029 1199 D HN 0.573 nan 8.370 nan 0.000 0.517 1200 S N 2.688 118.402 115.700 0.024 0.000 2.509 1200 S HA 0.196 4.667 4.470 0.002 0.000 0.297 1200 S C 0.872 175.501 174.600 0.049 0.000 1.118 1200 S CA -0.643 57.586 58.200 0.049 0.000 1.074 1200 S CB 1.669 64.949 63.200 0.134 0.000 1.038 1200 S HN 0.381 nan 8.310 nan 0.000 0.498 1201 D N 2.388 122.799 120.400 0.019 0.000 2.224 1201 D HA -0.018 4.623 4.640 0.002 0.000 0.205 1201 D C 1.198 177.442 176.300 -0.094 0.000 0.965 1201 D CA 1.215 55.209 54.000 -0.011 0.000 0.852 1201 D CB 0.221 41.026 40.800 0.008 0.000 0.947 1201 D HN 0.745 nan 8.370 nan 0.000 0.494 1202 E N -1.406 118.708 120.200 -0.143 0.000 2.479 1202 E HA 0.104 4.455 4.350 0.002 0.000 0.193 1202 E C -0.478 175.607 176.600 -0.859 0.000 1.049 1202 E CA -0.055 56.092 56.400 -0.422 0.000 0.870 1202 E CB 0.420 29.942 29.700 -0.297 0.000 0.944 1202 E HN 0.232 nan 8.360 nan 0.000 0.492 1203 F N -0.382 119.376 119.950 -0.320 0.000 2.565 1203 F HA 0.331 4.859 4.527 0.002 0.000 0.313 1203 F C -0.494 175.206 175.800 -0.166 0.000 1.091 1203 F CA -1.224 56.606 58.000 -0.282 0.000 0.915 1203 F CB 1.062 39.935 39.000 -0.210 0.000 1.208 1203 F HN -0.167 nan 8.300 nan 0.000 0.453 1204 Y N 1.657 122.091 120.300 0.225 0.000 2.316 1204 Y HA 0.223 4.774 4.550 0.002 0.000 0.331 1204 Y C 0.844 177.057 175.900 0.522 0.000 1.083 1204 Y CA -0.905 57.355 58.100 0.267 0.000 1.206 1204 Y CB 0.798 39.344 38.460 0.143 0.000 1.195 1204 Y HN 0.564 nan 8.280 nan 0.000 0.497 1205 N N -1.512 117.621 118.700 0.721 0.000 2.159 1205 N HA 0.091 4.832 4.740 0.002 0.000 0.217 1205 N C -0.493 175.384 175.510 0.611 0.000 1.223 1205 N CA -0.128 53.322 53.050 0.667 0.000 0.896 1205 N CB 0.458 39.296 38.487 0.585 0.000 1.064 1205 N HN 0.295 nan 8.380 nan 0.000 0.518 1206 T N 1.404 116.300 114.554 0.569 0.000 2.767 1206 T HA 0.524 4.875 4.350 0.002 0.000 0.284 1206 T C -0.292 174.486 174.700 0.131 0.000 0.973 1206 T CA -0.382 61.926 62.100 0.348 0.000 0.996 1206 T CB 1.092 70.103 68.868 0.238 0.000 0.927 1206 T HN 0.075 nan 8.240 nan 0.000 0.456 1207 I N 2.514 123.070 120.570 -0.024 0.000 2.603 1207 I HA 0.433 4.604 4.170 0.002 0.000 0.300 1207 I C -0.012 176.075 176.117 -0.051 0.000 1.017 1207 I CA -0.922 60.234 61.300 -0.239 0.000 1.098 1207 I CB 2.250 40.017 38.000 -0.388 0.000 1.279 1207 I HN 0.411 nan 8.210 nan 0.000 0.437 1208 Q N 5.573 125.314 119.800 -0.099 0.000 2.341 1208 Q HA 0.477 4.818 4.340 0.002 0.000 0.268 1208 Q C -1.144 174.732 176.000 -0.207 0.000 1.013 1208 Q CA -0.696 54.976 55.803 -0.218 0.000 0.798 1208 Q CB 2.132 30.705 28.738 -0.275 0.000 1.253 1208 Q HN 0.654 nan 8.270 nan 0.000 0.457 1209 I N 4.515 124.954 120.570 -0.218 0.000 2.471 1209 I HA 0.167 4.338 4.170 0.002 0.000 0.286 1209 I C -0.638 175.347 176.117 -0.221 0.000 1.079 1209 I CA -0.063 61.132 61.300 -0.174 0.000 1.398 1209 I CB 0.165 38.069 38.000 -0.160 0.000 1.403 1209 I HN 0.556 nan 8.210 nan 0.000 0.530 1210 K N 5.580 125.839 120.400 -0.234 0.000 2.354 1210 K HA 0.538 4.859 4.320 0.002 0.000 0.238 1210 K C -0.982 175.379 176.600 -0.398 0.000 1.068 1210 K CA -0.802 55.240 56.287 -0.408 0.000 0.925 1210 K CB 1.176 33.247 32.500 -0.715 0.000 1.286 1210 K HN 0.410 nan 8.250 nan 0.000 0.500 1211 E N 0.370 120.237 120.200 -0.554 0.000 2.640 1211 E HA 0.192 4.543 4.350 0.002 0.000 0.360 1211 E C -1.180 175.172 176.600 -0.414 0.000 1.014 1211 E CA 0.035 56.198 56.400 -0.395 0.000 0.757 1211 E CB -0.228 29.310 29.700 -0.270 0.000 1.565 1211 E HN 0.479 nan 8.360 nan 0.000 0.381 1212 Y N 0.530 120.717 120.300 -0.188 0.000 2.523 1212 Y HA 0.228 4.779 4.550 0.002 0.000 0.279 1212 Y C 0.826 176.493 175.900 -0.387 0.000 1.139 1212 Y CA -0.029 57.971 58.100 -0.166 0.000 1.296 1212 Y CB 0.464 38.950 38.460 0.042 0.000 1.045 1212 Y HN 0.357 nan 8.280 nan 0.000 0.538 1213 D N 1.032 121.080 120.400 -0.587 0.000 2.312 1213 D HA 0.028 4.669 4.640 0.002 0.000 0.252 1213 D C 0.530 176.686 176.300 -0.240 0.000 1.150 1213 D CA 0.185 53.792 54.000 -0.655 0.000 0.870 1213 D CB 1.096 41.444 40.800 -0.754 0.000 1.153 1213 D HN 0.383 nan 8.370 nan 0.000 0.457 1214 E N 1.745 121.882 120.200 -0.105 0.000 2.230 1214 E HA -0.063 4.288 4.350 0.002 0.000 0.192 1214 E C 0.330 176.908 176.600 -0.036 0.000 0.987 1214 E CA 0.284 56.659 56.400 -0.041 0.000 0.841 1214 E CB 0.318 30.019 29.700 0.002 0.000 0.783 1214 E HN 0.487 nan 8.360 nan 0.000 0.481 1215 Q N 0.851 120.629 119.800 -0.037 0.000 2.256 1215 Q HA 0.281 4.622 4.340 0.002 0.000 0.232 1215 Q C -2.308 173.656 176.000 -0.061 0.000 0.965 1215 Q CA -2.406 53.386 55.803 -0.018 0.000 0.908 1215 Q CB -0.328 28.430 28.738 0.033 0.000 1.209 1215 Q HN -0.077 nan 8.270 nan 0.000 0.489 1216 P HA 0.072 nan 4.420 nan 0.000 0.265 1216 P C -0.547 176.685 177.300 -0.114 0.000 1.193 1216 P CA 0.534 63.551 63.100 -0.138 0.000 0.765 1216 P CB 0.583 32.114 31.700 -0.282 0.000 0.823 1217 T N 2.027 116.490 114.554 -0.150 0.000 2.907 1217 T HA 0.305 4.656 4.350 0.002 0.000 0.344 1217 T C -0.721 173.955 174.700 -0.041 0.000 1.675 1217 T CA -0.288 61.718 62.100 -0.158 0.000 1.076 1217 T CB 0.253 69.072 68.868 -0.083 0.000 1.483 1217 T HN 0.055 nan 8.240 nan 0.000 0.487 1218 Y N 1.065 121.354 120.300 -0.019 0.000 2.458 1218 Y HA 0.447 4.997 4.550 0.001 0.000 0.256 1218 Y C 1.645 177.546 175.900 0.002 0.000 1.159 1218 Y CA -0.608 57.475 58.100 -0.027 0.000 1.261 1218 Y CB 0.073 38.490 38.460 -0.071 0.000 1.119 1218 Y HN 0.375 nan 8.280 nan 0.000 0.524 1219 S N 0.552 116.337 115.700 0.143 0.000 2.592 1219 S HA 0.453 4.925 4.470 0.002 0.000 0.271 1219 S C 0.133 174.785 174.600 0.087 0.000 1.326 1219 S CA -0.403 57.874 58.200 0.129 0.000 1.024 1219 S CB 0.792 64.057 63.200 0.109 0.000 0.921 1219 S HN 0.431 nan 8.310 nan 0.000 0.527 1220 C N 1.721 121.092 119.300 0.119 0.000 3.241 1220 C HA 0.833 5.294 4.460 0.002 0.000 0.312 1220 C C -1.533 173.549 174.990 0.154 0.000 1.350 1220 C CA -1.046 58.022 59.018 0.083 0.000 1.415 1220 C CB 0.686 28.477 27.740 0.085 0.000 1.770 1220 C HN 0.710 nan 8.230 nan 0.000 0.466 1221 Q N 0.739 120.600 119.800 0.102 0.000 2.348 1221 Q HA 0.838 5.179 4.340 0.002 0.000 0.271 1221 Q C -1.164 174.909 176.000 0.122 0.000 1.067 1221 Q CA -0.410 55.510 55.803 0.195 0.000 0.839 1221 Q CB 1.743 30.659 28.738 0.296 0.000 1.354 1221 Q HN 0.753 nan 8.270 nan 0.000 0.447 1222 L N 2.035 123.352 121.223 0.157 0.000 2.319 1222 L HA 0.539 4.880 4.340 0.002 0.000 0.281 1222 L C -1.227 175.669 176.870 0.042 0.000 1.005 1222 L CA -0.932 53.926 54.840 0.029 0.000 0.828 1222 L CB 1.176 43.209 42.059 -0.044 0.000 1.227 1222 L HN 0.400 nan 8.230 nan 0.000 0.415 1223 L N 3.161 124.379 121.223 -0.009 0.000 2.317 1223 L HA 0.596 4.938 4.340 0.002 0.000 0.281 1223 L C -1.294 175.548 176.870 -0.047 0.000 1.024 1223 L CA 0.185 55.064 54.840 0.064 0.000 0.810 1223 L CB 1.327 43.464 42.059 0.130 0.000 1.240 1223 L HN 0.246 nan 8.230 nan 0.000 0.427 1224 F N 4.577 124.591 119.950 0.106 0.000 2.411 1224 F HA 0.536 5.064 4.527 0.002 0.000 0.352 1224 F C 0.288 176.069 175.800 -0.031 0.000 1.123 1224 F CA -0.364 57.666 58.000 0.050 0.000 1.044 1224 F CB 1.280 40.316 39.000 0.060 0.000 1.135 1224 F HN 0.411 nan 8.300 nan 0.000 0.461 1225 K N 2.480 122.947 120.400 0.112 0.000 2.352 1225 K HA 0.307 4.628 4.320 0.002 0.000 0.240 1225 K C 0.600 177.058 176.600 -0.237 0.000 1.017 1225 K CA -1.079 55.199 56.287 -0.015 0.000 0.851 1225 K CB 2.333 34.878 32.500 0.075 0.000 1.261 1225 K HN 0.447 nan 8.250 nan 0.000 0.451 1226 K N 0.960 121.228 120.400 -0.219 0.000 2.147 1226 K HA -0.144 4.177 4.320 0.002 0.000 0.205 1226 K C -0.352 176.242 176.600 -0.010 0.000 1.049 1226 K CA 1.912 58.083 56.287 -0.193 0.000 0.936 1226 K CB 0.143 32.644 32.500 0.003 0.000 0.722 1226 K HN 0.769 nan 8.250 nan 0.000 0.446 1227 D N -2.810 117.581 120.400 -0.015 0.000 2.898 1227 D HA -0.048 4.593 4.640 0.002 0.000 0.254 1227 D C -0.272 175.977 176.300 -0.086 0.000 1.107 1227 D CA -0.369 53.617 54.000 -0.024 0.000 0.729 1227 D CB 0.434 41.244 40.800 0.016 0.000 1.734 1227 D HN -0.172 nan 8.370 nan 0.000 0.452 1228 E N 1.298 121.332 120.200 -0.276 0.000 2.164 1228 E HA -0.313 4.038 4.350 0.002 0.000 0.233 1228 E C 1.490 178.049 176.600 -0.068 0.000 1.073 1228 E CA 2.987 59.147 56.400 -0.400 0.000 0.941 1228 E CB -0.221 29.080 29.700 -0.665 0.000 0.820 1228 E HN 0.662 nan 8.360 nan 0.000 0.486 1229 E N 0.528 120.693 120.200 -0.058 0.000 2.085 1229 E HA -0.137 4.214 4.350 0.002 0.000 0.194 1229 E C 1.213 177.827 176.600 0.023 0.000 0.994 1229 E CA 0.730 57.130 56.400 0.000 0.000 0.801 1229 E CB -0.189 29.508 29.700 -0.005 0.000 0.743 1229 E HN 0.107 nan 8.360 nan 0.000 0.453 1230 S N -0.118 115.593 115.700 0.017 0.000 2.586 1230 S HA -0.062 4.409 4.470 0.002 0.000 0.256 1230 S C 1.012 175.637 174.600 0.041 0.000 1.392 1230 S CA 0.926 59.142 58.200 0.028 0.000 0.983 1230 S CB 0.548 63.763 63.200 0.024 0.000 0.897 1230 S HN 0.352 nan 8.310 nan 0.000 0.566 1231 T N -1.163 113.414 114.554 0.038 0.000 3.209 1231 T HA 0.259 4.610 4.350 0.002 0.000 0.295 1231 T C -0.323 174.400 174.700 0.038 0.000 0.977 1231 T CA -0.414 61.712 62.100 0.043 0.000 0.922 1231 T CB -0.047 68.843 68.868 0.036 0.000 1.152 1231 T HN 0.522 nan 8.240 nan 0.000 0.527 1232 D N 2.558 122.977 120.400 0.031 0.000 2.411 1232 D HA 0.116 4.757 4.640 0.002 0.000 0.225 1232 D C -0.507 175.805 176.300 0.020 0.000 1.156 1232 D CA -0.083 53.931 54.000 0.023 0.000 0.874 1232 D CB 0.790 41.601 40.800 0.019 0.000 1.034 1232 D HN 0.455 nan 8.370 nan 0.000 0.502 1233 E N 4.971 125.196 120.200 0.041 0.000 2.052 1233 E HA 0.076 4.427 4.350 0.002 0.000 0.283 1233 E C 1.320 177.970 176.600 0.083 0.000 1.071 1233 E CA -0.636 55.806 56.400 0.070 0.000 0.851 1233 E CB 1.358 31.111 29.700 0.089 0.000 1.066 1233 E HN 0.490 nan 8.360 nan 0.000 0.396 1234 I N 1.803 122.423 120.570 0.082 0.000 2.226 1234 I HA -0.066 4.105 4.170 0.002 0.000 0.245 1234 I C 1.244 177.527 176.117 0.277 0.000 1.100 1234 I CA 1.219 62.609 61.300 0.151 0.000 1.374 1234 I CB -1.359 36.688 38.000 0.077 0.000 1.057 1234 I HN 0.640 nan 8.210 nan 0.000 0.413 1235 G N 0.209 109.185 108.800 0.294 0.000 2.359 1235 G HA2 0.322 4.283 3.960 0.002 0.000 0.293 1235 G HA3 0.322 4.283 3.960 0.002 0.000 0.293 1235 G C -1.604 173.524 174.900 0.379 0.000 1.300 1235 G CA -0.869 44.432 45.100 0.335 0.000 0.888 1235 G HN 0.022 nan 8.290 nan 0.000 0.541 1236 L N 0.540 122.014 121.223 0.419 0.000 2.346 1236 L HA 0.556 4.897 4.340 0.002 0.000 0.276 1236 L C 0.433 177.556 176.870 0.421 0.000 1.006 1236 L CA -0.986 54.087 54.840 0.389 0.000 0.817 1236 L CB 1.946 44.208 42.059 0.338 0.000 1.272 1236 L HN 0.458 nan 8.230 nan 0.000 0.421 1237 I N 1.992 122.768 120.570 0.342 0.000 2.648 1237 I HA 0.268 4.439 4.170 0.002 0.000 0.284 1237 I C 0.892 177.315 176.117 0.511 0.000 1.153 1237 I CA 0.554 62.057 61.300 0.338 0.000 1.426 1237 I CB 0.607 38.691 38.000 0.140 0.000 1.381 1237 I HN 0.809 nan 8.210 nan 0.000 0.571 1238 G N 6.596 115.736 108.800 0.567 0.000 2.793 1238 G HA2 0.668 4.629 3.960 0.002 0.000 0.248 1238 G HA3 0.668 4.629 3.960 0.002 0.000 0.248 1238 G C -1.223 174.048 174.900 0.618 0.000 1.198 1238 G CA -0.554 44.858 45.100 0.520 0.000 0.865 1238 G HN 0.426 nan 8.290 nan 0.000 0.534 1239 I N 0.390 121.239 120.570 0.465 0.000 2.569 1239 I HA 0.419 4.590 4.170 0.002 0.000 0.290 1239 I C -1.269 175.064 176.117 0.359 0.000 1.088 1239 I CA -0.634 60.912 61.300 0.410 0.000 1.047 1239 I CB 2.499 40.637 38.000 0.229 0.000 1.237 1239 I HN 0.614 nan 8.210 nan 0.000 0.421 1240 H N 5.142 124.374 119.070 0.269 0.000 2.679 1240 H HA 0.514 5.071 4.556 0.002 0.000 0.367 1240 H C -0.960 174.409 175.328 0.068 0.000 1.162 1240 H CA -0.683 55.402 56.048 0.061 0.000 1.181 1240 H CB 2.129 31.839 29.762 -0.087 0.000 1.693 1240 H HN 0.454 nan 8.280 nan 0.000 0.538 1241 R N 4.080 124.197 120.500 -0.638 0.000 2.265 1241 R HA 0.302 4.643 4.340 0.002 0.000 0.319 1241 R C -1.318 174.822 176.300 -0.265 0.000 1.006 1241 R CA -0.328 55.616 56.100 -0.260 0.000 0.880 1241 R CB 0.259 30.381 30.300 -0.297 0.000 1.077 1241 R HN 0.399 nan 8.270 nan 0.000 0.454 1242 F N 2.571 122.685 119.950 0.274 0.000 2.594 1242 F HA 0.363 4.891 4.527 0.002 0.000 0.335 1242 F C -0.505 175.562 175.800 0.445 0.000 1.058 1242 F CA -0.833 57.379 58.000 0.353 0.000 0.981 1242 F CB 0.973 40.174 39.000 0.334 0.000 1.289 1242 F HN 0.378 nan 8.300 nan 0.000 0.490 1243 Y N 1.278 121.825 120.300 0.410 0.000 2.364 1243 Y HA 0.494 5.045 4.550 0.002 0.000 0.340 1243 Y C -1.029 174.929 175.900 0.097 0.000 0.975 1243 Y CA -1.138 57.042 58.100 0.134 0.000 1.089 1243 Y CB 1.134 39.612 38.460 0.030 0.000 1.192 1243 Y HN 0.593 nan 8.280 nan 0.000 0.454 1244 E N 3.405 123.269 120.200 -0.559 0.000 2.199 1244 E HA 0.386 4.737 4.350 0.002 0.000 0.265 1244 E C -1.282 174.890 176.600 -0.713 0.000 0.882 1244 E CA -0.843 55.297 56.400 -0.434 0.000 0.759 1244 E CB 1.958 31.581 29.700 -0.129 0.000 1.148 1244 E HN 0.422 nan 8.360 nan 0.000 0.412 1245 S N 2.265 117.670 115.700 -0.491 0.000 2.395 1245 S HA 0.465 4.936 4.470 0.002 0.000 0.207 1245 S C -0.181 174.341 174.600 -0.129 0.000 1.454 1245 S CA -0.538 57.458 58.200 -0.341 0.000 1.211 1245 S CB 0.315 63.346 63.200 -0.282 0.000 1.093 1245 S HN 0.642 nan 8.310 nan 0.000 0.472 1246 G N 2.068 110.828 108.800 -0.067 0.000 2.537 1246 G HA2 0.443 4.404 3.960 0.002 0.000 0.297 1246 G HA3 0.443 4.404 3.960 0.002 0.000 0.297 1246 G C 1.120 176.001 174.900 -0.033 0.000 1.310 1246 G CA -0.620 44.468 45.100 -0.020 0.000 1.027 1246 G HN 0.813 nan 8.290 nan 0.000 0.505 1247 I N -2.434 118.116 120.570 -0.032 0.000 2.614 1247 I HA -0.016 4.155 4.170 0.002 0.000 0.258 1247 I C 1.390 177.444 176.117 -0.105 0.000 1.189 1247 I CA 0.953 62.221 61.300 -0.053 0.000 1.462 1247 I CB -0.257 37.718 38.000 -0.041 0.000 1.092 1247 I HN 0.148 nan 8.210 nan 0.000 0.442 1248 V N -0.345 119.473 119.914 -0.160 0.000 2.911 1248 V HA 0.261 4.382 4.120 0.002 0.000 0.237 1248 V C 0.626 176.414 176.094 -0.509 0.000 1.156 1248 V CA 0.366 62.439 62.300 -0.379 0.000 1.180 1248 V CB -0.104 31.381 31.823 -0.564 0.000 0.932 1248 V HN 0.168 nan 8.190 nan 0.000 0.483 1249 F N 0.445 120.373 119.950 -0.036 0.000 2.440 1249 F HA 0.617 5.145 4.527 0.002 0.000 0.328 1249 F C 0.251 175.999 175.800 -0.088 0.000 1.070 1249 F CA -0.486 57.486 58.000 -0.047 0.000 1.011 1249 F CB 1.290 40.265 39.000 -0.041 0.000 1.226 1249 F HN -0.057 nan 8.300 nan 0.000 0.491 1250 E N 2.614 122.888 120.200 0.123 0.000 2.361 1250 E HA 0.320 4.671 4.350 0.002 0.000 0.270 1250 E C -1.639 174.947 176.600 -0.022 0.000 0.911 1250 E CA -0.358 56.019 56.400 -0.039 0.000 0.818 1250 E CB 1.221 30.927 29.700 0.010 0.000 1.332 1250 E HN 0.870 nan 8.360 nan 0.000 0.402 1251 E N 2.487 122.590 120.200 -0.162 0.000 2.432 1251 E HA 0.259 4.610 4.350 0.002 0.000 0.279 1251 E C -1.465 175.057 176.600 -0.130 0.000 1.099 1251 E CA -0.876 55.486 56.400 -0.064 0.000 0.859 1251 E CB 0.686 30.402 29.700 0.027 0.000 1.402 1251 E HN 0.205 nan 8.360 nan 0.000 0.451 1252 Y N 0.368 120.782 120.300 0.191 0.000 2.361 1252 Y HA 0.545 5.096 4.550 0.002 0.000 0.332 1252 Y C 0.016 175.993 175.900 0.128 0.000 1.101 1252 Y CA -0.435 57.794 58.100 0.215 0.000 1.137 1252 Y CB 1.908 40.476 38.460 0.179 0.000 1.207 1252 Y HN 0.237 nan 8.280 nan 0.000 0.463 1253 K N 2.157 122.763 120.400 0.344 0.000 2.535 1253 K HA 0.260 4.581 4.320 0.002 0.000 0.250 1253 K C -1.924 174.834 176.600 0.263 0.000 0.948 1253 K CA -0.923 55.473 56.287 0.183 0.000 0.796 1253 K CB 1.948 34.506 32.500 0.097 0.000 1.216 1253 K HN 0.579 nan 8.250 nan 0.000 0.432 1254 D N 1.681 122.126 120.400 0.074 0.000 2.256 1254 D HA 0.277 4.918 4.640 0.002 0.000 0.250 1254 D C -0.729 175.598 176.300 0.045 0.000 1.093 1254 D CA 0.384 54.485 54.000 0.169 0.000 0.882 1254 D CB 0.582 41.422 40.800 0.065 0.000 1.185 1254 D HN 0.224 nan 8.370 nan 0.000 0.437 1255 Y N 0.262 120.799 120.300 0.396 0.000 2.602 1255 Y HA 0.351 4.902 4.550 0.002 0.000 0.342 1255 Y C -0.184 175.987 175.900 0.450 0.000 1.029 1255 Y CA -1.328 56.976 58.100 0.340 0.000 1.080 1255 Y CB 1.074 39.666 38.460 0.220 0.000 1.284 1255 Y HN 0.210 nan 8.280 nan 0.000 0.485 1256 F N 3.033 123.220 119.950 0.395 0.000 2.468 1256 F HA 0.382 4.910 4.527 0.001 0.000 0.356 1256 F C -0.397 175.614 175.800 0.352 0.000 1.167 1256 F CA -0.780 57.424 58.000 0.339 0.000 1.135 1256 F CB -0.819 38.318 39.000 0.229 0.000 1.197 1256 F HN 0.436 nan 8.300 nan 0.000 0.569 1257 C N 5.942 125.450 119.300 0.346 0.000 2.924 1257 C HA 0.672 5.133 4.460 0.002 0.000 0.399 1257 C C -0.009 175.071 174.990 0.149 0.000 1.795 1257 C CA -1.080 58.069 59.018 0.218 0.000 1.685 1257 C CB 1.792 29.756 27.740 0.373 0.000 2.218 1257 C HN 0.746 nan 8.230 nan 0.000 0.474 1258 I N 1.097 121.766 120.570 0.165 0.000 2.569 1258 I HA 0.566 4.737 4.170 0.002 0.000 0.290 1258 I C -0.924 175.353 176.117 0.267 0.000 1.088 1258 I CA 0.471 61.908 61.300 0.229 0.000 1.047 1258 I CB 1.638 39.698 38.000 0.101 0.000 1.237 1258 I HN 0.673 nan 8.210 nan 0.000 0.421 1259 S N 5.228 121.169 115.700 0.401 0.000 2.541 1259 S HA 0.467 4.938 4.470 0.002 0.000 0.280 1259 S C 0.185 174.979 174.600 0.324 0.000 1.112 1259 S CA -0.687 57.691 58.200 0.297 0.000 0.925 1259 S CB 2.116 65.362 63.200 0.076 0.000 1.067 1259 S HN 0.788 nan 8.310 nan 0.000 0.479 1260 K N 1.979 122.531 120.400 0.254 0.000 2.365 1260 K HA 0.026 4.347 4.320 0.002 0.000 0.197 1260 K C 1.281 177.963 176.600 0.137 0.000 1.042 1260 K CA 0.488 56.891 56.287 0.194 0.000 0.987 1260 K CB -0.040 32.542 32.500 0.136 0.000 0.779 1260 K HN 0.751 nan 8.250 nan 0.000 0.484 1261 W N 0.885 122.136 121.300 -0.083 0.000 2.350 1261 W HA -0.244 4.417 4.660 0.002 0.000 0.289 1261 W C 1.147 177.585 176.519 -0.135 0.000 1.215 1261 W CA 1.559 58.810 57.345 -0.158 0.000 1.236 1261 W CB -0.145 29.151 29.460 -0.274 0.000 1.130 1261 W HN 0.043 nan 8.180 nan 0.000 0.541 1262 Y N 0.143 120.495 120.300 0.086 0.000 2.293 1262 Y HA -0.186 4.366 4.550 0.002 0.000 0.291 1262 Y C 2.439 178.193 175.900 -0.242 0.000 1.137 1262 Y CA 1.506 59.538 58.100 -0.114 0.000 1.202 1262 Y CB -1.275 37.249 38.460 0.108 0.000 0.990 1262 Y HN -0.096 nan 8.280 nan 0.000 0.537 1263 L N 0.521 121.744 121.223 0.000 0.000 2.103 1263 L HA -0.323 4.018 4.340 0.002 0.000 0.215 1263 L C 2.279 179.026 176.870 -0.205 0.000 1.080 1263 L CA 2.329 57.114 54.840 -0.092 0.000 0.764 1263 L CB -0.616 41.431 42.059 -0.020 0.000 0.890 1263 L HN 0.349 nan 8.230 nan 0.000 0.435 1264 K N -1.557 118.683 120.400 -0.267 0.000 2.352 1264 K HA 0.005 4.326 4.320 0.002 0.000 0.194 1264 K C 1.547 177.940 176.600 -0.345 0.000 1.038 1264 K CA 0.187 56.307 56.287 -0.279 0.000 1.023 1264 K CB 0.136 32.479 32.500 -0.262 0.000 0.840 1264 K HN 0.099 nan 8.250 nan 0.000 0.519 1265 E N 1.601 121.516 120.200 -0.475 0.000 2.112 1265 E HA -0.097 4.254 4.350 0.002 0.000 0.190 1265 E C 2.239 178.649 176.600 -0.317 0.000 0.979 1265 E CA 1.484 57.606 56.400 -0.464 0.000 0.814 1265 E CB -0.128 29.181 29.700 -0.652 0.000 0.762 1265 E HN 0.351 nan 8.360 nan 0.000 0.460 1266 V N -0.665 119.080 119.914 -0.281 0.000 3.078 1266 V HA -0.102 4.019 4.120 0.002 0.000 0.265 1266 V C 1.732 177.779 176.094 -0.077 0.000 1.122 1266 V CA 1.324 63.513 62.300 -0.186 0.000 1.141 1266 V CB -0.557 31.044 31.823 -0.371 0.000 0.735 1266 V HN 0.047 nan 8.190 nan 0.000 0.498 1267 K N 0.095 120.409 120.400 -0.144 0.000 2.314 1267 K HA 0.158 4.479 4.320 0.002 0.000 0.198 1267 K C 1.010 177.589 176.600 -0.036 0.000 1.045 1267 K CA -0.087 56.162 56.287 -0.064 0.000 0.988 1267 K CB 0.038 32.484 32.500 -0.090 0.000 0.783 1267 K HN 0.472 nan 8.250 nan 0.000 0.484 1268 R N 1.721 122.169 120.500 -0.087 0.000 2.756 1268 R HA 0.068 4.409 4.340 0.002 0.000 0.264 1268 R C -0.075 176.212 176.300 -0.022 0.000 1.026 1268 R CA 0.610 56.666 56.100 -0.073 0.000 1.121 1268 R CB 0.385 30.614 30.300 -0.119 0.000 0.999 1268 R HN -0.119 nan 8.270 nan 0.000 0.449 1269 K N 2.882 123.278 120.400 -0.008 0.000 2.378 1269 K HA 0.361 4.682 4.320 0.002 0.000 0.252 1269 K C -2.043 174.561 176.600 0.006 0.000 0.931 1269 K CA -1.675 54.626 56.287 0.023 0.000 0.794 1269 K CB 1.817 34.336 32.500 0.030 0.000 1.181 1269 K HN 0.570 nan 8.250 nan 0.000 0.425 1270 P HA 0.086 nan 4.420 nan 0.000 0.272 1270 P C -0.609 176.725 177.300 0.057 0.000 1.230 1270 P CA -0.381 62.749 63.100 0.051 0.000 0.788 1270 P CB 0.409 32.135 31.700 0.044 0.000 0.949 1271 Y N 1.881 122.184 120.300 0.005 0.000 2.632 1271 Y HA -0.024 4.527 4.550 0.002 0.000 0.329 1271 Y C 0.827 176.730 175.900 0.005 0.000 1.174 1271 Y CA 0.017 58.121 58.100 0.007 0.000 1.469 1271 Y CB -0.044 38.429 38.460 0.022 0.000 1.242 1271 Y HN 0.341 nan 8.280 nan 0.000 0.540 1272 N N 6.340 124.668 118.700 -0.619 0.000 2.482 1272 N HA 0.079 4.820 4.740 0.002 0.000 0.242 1272 N C 0.274 175.564 175.510 -0.367 0.000 1.100 1272 N CA 0.083 52.910 53.050 -0.372 0.000 0.946 1272 N CB 0.120 38.435 38.487 -0.288 0.000 1.227 1272 N HN 0.881 nan 8.380 nan 0.000 0.508 1273 L N 2.398 123.587 121.223 -0.058 0.000 2.265 1273 L HA -0.120 4.221 4.340 0.002 0.000 0.215 1273 L C 1.669 178.540 176.870 0.002 0.000 1.117 1273 L CA 0.967 55.856 54.840 0.082 0.000 0.782 1273 L CB -0.205 41.916 42.059 0.103 0.000 0.914 1273 L HN 0.511 nan 8.230 nan 0.000 0.441 1274 K N 0.335 120.711 120.400 -0.041 0.000 2.487 1274 K HA 0.131 4.452 4.320 0.002 0.000 0.192 1274 K C 0.531 177.101 176.600 -0.050 0.000 1.027 1274 K CA 0.006 56.267 56.287 -0.045 0.000 1.054 1274 K CB 0.014 32.497 32.500 -0.028 0.000 0.824 1274 K HN 0.279 nan 8.250 nan 0.000 0.510 1275 L N 0.571 121.759 121.223 -0.059 0.000 2.506 1275 L HA -0.029 4.312 4.340 0.002 0.000 0.281 1275 L C 1.710 178.531 176.870 -0.082 0.000 1.228 1275 L CA -0.059 54.786 54.840 0.009 0.000 0.850 1275 L CB 0.396 42.439 42.059 -0.027 0.000 1.110 1275 L HN 0.209 nan 8.230 nan 0.000 0.496 1276 G N 0.642 109.454 108.800 0.020 0.000 2.848 1276 G HA2 -0.128 3.833 3.960 0.002 0.000 0.208 1276 G HA3 -0.128 3.833 3.960 0.002 0.000 0.208 1276 G C 1.141 175.732 174.900 -0.515 0.000 1.152 1276 G CA 0.537 45.537 45.100 -0.166 0.000 0.789 1276 G HN 0.892 nan 8.290 nan 0.000 0.531 1277 C N -1.152 117.741 119.300 -0.679 0.000 2.697 1277 C HA 0.346 4.807 4.460 0.002 0.000 0.267 1277 C C 0.611 175.410 174.990 -0.318 0.000 1.278 1277 C CA -1.734 56.893 59.018 -0.651 0.000 1.708 1277 C CB -1.654 25.546 27.740 -0.900 0.000 1.860 1277 C HN 0.227 nan 8.230 nan 0.000 0.589 1278 N N 0.602 119.081 118.700 -0.368 0.000 2.422 1278 N HA 0.444 5.185 4.740 0.002 0.000 0.264 1278 N C -1.082 174.196 175.510 -0.387 0.000 1.063 1278 N CA -0.066 52.877 53.050 -0.177 0.000 0.959 1278 N CB 0.552 39.011 38.487 -0.047 0.000 1.087 1278 N HN 0.567 nan 8.380 nan 0.000 0.483 1279 W N 0.846 122.109 121.300 -0.062 0.000 2.799 1279 W HA 0.491 5.152 4.660 0.001 0.000 0.349 1279 W C -0.230 176.229 176.519 -0.099 0.000 1.100 1279 W CA -0.615 56.639 57.345 -0.152 0.000 1.174 1279 W CB 1.327 30.613 29.460 -0.291 0.000 1.427 1279 W HN 0.149 nan 8.180 nan 0.000 0.547 1280 Q N 1.067 120.961 119.800 0.158 0.000 2.345 1280 Q HA 0.440 4.781 4.340 0.002 0.000 0.275 1280 Q C -1.644 174.269 176.000 -0.146 0.000 1.063 1280 Q CA -1.021 54.862 55.803 0.133 0.000 0.819 1280 Q CB 2.695 31.666 28.738 0.388 0.000 1.356 1280 Q HN 0.291 nan 8.270 nan 0.000 0.418 1281 F N 2.161 122.044 119.950 -0.111 0.000 2.415 1281 F HA 0.466 4.994 4.527 0.002 0.000 0.348 1281 F C 0.090 175.746 175.800 -0.241 0.000 1.119 1281 F CA -0.522 57.296 58.000 -0.303 0.000 1.069 1281 F CB 0.877 39.332 39.000 -0.908 0.000 1.124 1281 F HN 0.288 nan 8.300 nan 0.000 0.472 1282 I N 6.490 127.106 120.570 0.076 0.000 2.371 1282 I HA 0.300 4.471 4.170 0.002 0.000 0.282 1282 I C -2.419 173.979 176.117 0.467 0.000 1.031 1282 I CA -1.905 59.395 61.300 -0.001 0.000 1.180 1282 I CB 1.142 38.929 38.000 -0.356 0.000 1.336 1282 I HN 0.282 nan 8.210 nan 0.000 0.467 1283 P HA 0.251 nan 4.420 nan 0.000 0.285 1283 P C -0.946 176.719 177.300 0.609 0.000 1.280 1283 P CA -0.881 62.565 63.100 0.577 0.000 0.862 1283 P CB 1.289 33.289 31.700 0.500 0.000 1.153 1284 K N 1.538 122.101 120.400 0.273 0.000 2.484 1284 K HA 0.075 4.396 4.320 0.002 0.000 0.280 1284 K C -0.289 176.444 176.600 0.223 0.000 1.013 1284 K CA 0.942 57.253 56.287 0.039 0.000 1.029 1284 K CB -0.441 31.967 32.500 -0.154 0.000 0.902 1284 K HN 0.565 nan 8.250 nan 0.000 0.481 1285 D N 0.681 121.250 120.400 0.282 0.000 2.936 1285 D HA 0.035 4.676 4.640 0.002 0.000 0.238 1285 D C 0.934 177.290 176.300 0.093 0.000 1.248 1285 D CA -0.455 53.583 54.000 0.062 0.000 0.903 1285 D CB 1.007 41.568 40.800 -0.399 0.000 1.544 1285 D HN 0.481 nan 8.370 nan 0.000 0.543 1286 E N 1.839 122.094 120.200 0.091 0.000 2.273 1286 E HA -0.186 4.165 4.350 0.002 0.000 0.198 1286 E C 1.486 178.213 176.600 0.211 0.000 1.002 1286 E CA 1.148 57.639 56.400 0.153 0.000 0.828 1286 E CB -0.170 29.614 29.700 0.141 0.000 0.747 1286 E HN 0.460 nan 8.360 nan 0.000 0.491 1287 G N 0.152 109.055 108.800 0.172 0.000 2.744 1287 G HA2 -0.147 3.814 3.960 0.002 0.000 0.211 1287 G HA3 -0.147 3.814 3.960 0.002 0.000 0.211 1287 G C -0.343 174.514 174.900 -0.072 0.000 1.143 1287 G CA -0.147 44.999 45.100 0.076 0.000 0.788 1287 G HN 0.325 nan 8.290 nan 0.000 0.534 1288 W N 2.177 123.342 121.300 -0.223 0.000 2.687 1288 W HA 0.479 5.139 4.660 0.001 0.000 0.328 1288 W C -0.972 175.519 176.519 -0.047 0.000 1.012 1288 W CA -0.688 56.525 57.345 -0.220 0.000 1.262 1288 W CB 1.452 30.753 29.460 -0.264 0.000 1.331 1288 W HN 0.025 nan 8.180 nan 0.000 0.433 1289 T N 2.053 116.337 114.554 -0.450 0.000 2.863 1289 T HA 0.746 5.097 4.350 0.002 0.000 0.285 1289 T C -0.507 173.952 174.700 -0.402 0.000 1.009 1289 T CA -0.528 61.466 62.100 -0.177 0.000 0.989 1289 T CB 2.930 71.736 68.868 -0.104 0.000 1.004 1289 T HN 0.555 nan 8.240 nan 0.000 0.455 1290 E N 0.000 120.155 120.200 -0.075 0.000 2.725 1290 E HA 0.000 4.351 4.350 0.002 0.000 0.291 1290 E CA 0.000 56.420 56.400 0.033 0.000 0.976 1290 E CB 0.000 29.792 29.700 0.154 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440