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 1s0b_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 0.000 177.305 177.300 0.009 0.000 1.155 1 P CA 0.000 63.105 63.100 0.008 0.000 0.800 1 P CB 0.000 31.703 31.700 0.005 0.000 0.726 2 V N 0.168 120.091 119.914 0.015 0.000 2.448 2 V HA 0.521 4.647 4.120 0.008 0.000 0.295 2 V C -0.076 176.029 176.094 0.018 0.000 1.025 2 V CA -0.186 62.126 62.300 0.021 0.000 0.859 2 V CB 1.753 33.599 31.823 0.040 0.000 0.988 2 V HN 0.694 nan 8.190 nan 0.000 0.431 3 T N 6.278 120.835 114.554 0.006 0.000 2.767 3 T HA 0.537 4.893 4.350 0.008 0.000 0.284 3 T C -0.217 174.475 174.700 -0.014 0.000 0.973 3 T CA -0.286 61.811 62.100 -0.005 0.000 0.996 3 T CB 0.730 69.589 68.868 -0.015 0.000 0.927 3 T HN 0.293 nan 8.240 nan 0.000 0.456 4 I N 4.278 124.836 120.570 -0.020 0.000 2.312 4 I HA 0.271 4.446 4.170 0.008 0.000 0.290 4 I C 0.495 176.551 176.117 -0.102 0.000 1.008 4 I CA -0.903 60.363 61.300 -0.056 0.000 1.226 4 I CB 0.481 38.462 38.000 -0.032 0.000 1.371 4 I HN 0.522 nan 8.210 nan 0.000 0.468 5 N N 5.752 124.386 118.700 -0.110 0.000 2.444 5 N HA 0.208 4.954 4.740 0.008 0.000 0.255 5 N C -0.129 175.163 175.510 -0.363 0.000 1.255 5 N CA -0.046 52.941 53.050 -0.105 0.000 0.933 5 N CB 0.835 39.370 38.487 0.080 0.000 1.143 5 N HN 0.481 nan 8.380 nan 0.000 0.453 6 N N 0.268 118.773 118.700 -0.325 0.000 2.335 6 N HA 0.614 5.359 4.740 0.008 0.000 0.304 6 N C -0.947 174.334 175.510 -0.382 0.000 1.135 6 N CA -0.232 52.515 53.050 -0.506 0.000 0.817 6 N CB 1.623 39.978 38.487 -0.220 0.000 1.294 6 N HN 0.423 nan 8.380 nan 0.000 0.497 7 F N -1.715 118.258 119.950 0.039 0.000 2.829 7 F HA 0.411 4.943 4.527 0.008 0.000 0.319 7 F C -1.432 174.404 175.800 0.060 0.000 1.153 7 F CA -1.253 56.800 58.000 0.087 0.000 0.912 7 F CB 0.603 39.719 39.000 0.195 0.000 1.292 7 F HN 0.128 nan 8.300 nan 0.000 0.447 8 N N 0.505 119.440 118.700 0.392 0.000 2.384 8 N HA 0.192 4.937 4.740 0.008 0.000 0.301 8 N C -0.011 175.688 175.510 0.314 0.000 1.133 8 N CA -0.643 52.569 53.050 0.269 0.000 0.853 8 N CB 1.754 40.349 38.487 0.181 0.000 1.241 8 N HN 0.875 nan 8.380 nan 0.000 0.502 9 Y N 2.157 122.513 120.300 0.093 0.000 2.256 9 Y HA -0.108 4.447 4.550 0.009 0.000 0.288 9 Y C 1.301 177.372 175.900 0.285 0.000 1.155 9 Y CA 1.856 60.025 58.100 0.116 0.000 1.203 9 Y CB -0.138 38.341 38.460 0.032 0.000 0.980 9 Y HN 0.597 nan 8.280 nan 0.000 0.530 10 N N 0.002 118.803 118.700 0.169 0.000 2.461 10 N HA -0.062 4.683 4.740 0.008 0.000 0.188 10 N C -0.476 175.064 175.510 0.050 0.000 1.134 10 N CA -0.108 52.983 53.050 0.068 0.000 0.878 10 N CB -0.015 38.537 38.487 0.110 0.000 0.972 10 N HN 0.240 nan 8.380 nan 0.000 0.456 11 D N 1.861 122.329 120.400 0.113 0.000 2.423 11 D HA 0.079 4.724 4.640 0.008 0.000 0.238 11 D C -2.140 174.161 176.300 0.001 0.000 1.142 11 D CA -0.921 53.133 54.000 0.091 0.000 0.884 11 D CB 0.361 41.264 40.800 0.171 0.000 1.199 11 D HN 0.033 nan 8.370 nan 0.000 0.438 12 P HA 0.131 nan 4.420 nan 0.000 0.271 12 P C -0.086 177.160 177.300 -0.090 0.000 1.218 12 P CA -0.178 62.892 63.100 -0.051 0.000 0.780 12 P CB 0.558 32.242 31.700 -0.027 0.000 0.901 13 I N 2.727 123.226 120.570 -0.119 0.000 2.556 13 I HA 0.019 4.194 4.170 0.008 0.000 0.284 13 I C 0.877 176.939 176.117 -0.092 0.000 1.114 13 I CA 0.581 61.795 61.300 -0.144 0.000 1.418 13 I CB 0.515 38.425 38.000 -0.150 0.000 1.394 13 I HN 0.470 nan 8.210 nan 0.000 0.552 14 D N 3.854 124.207 120.400 -0.078 0.000 2.503 14 D HA 0.017 4.662 4.640 0.008 0.000 0.218 14 D C 0.395 176.675 176.300 -0.034 0.000 1.183 14 D CA -0.297 53.677 54.000 -0.043 0.000 0.827 14 D CB 0.007 40.794 40.800 -0.022 0.000 1.034 14 D HN 0.469 nan 8.370 nan 0.000 0.510 15 N N 0.193 118.864 118.700 -0.048 0.000 2.778 15 N HA -0.255 4.491 4.740 0.008 0.000 0.249 15 N C 0.269 175.787 175.510 0.013 0.000 1.069 15 N CA 1.248 54.278 53.050 -0.035 0.000 0.831 15 N CB -1.583 36.880 38.487 -0.041 0.000 1.142 15 N HN 0.641 nan 8.380 nan 0.000 0.573 16 N N -0.464 118.260 118.700 0.039 0.000 3.046 16 N HA 0.129 4.874 4.740 0.008 0.000 0.240 16 N C 0.401 176.002 175.510 0.152 0.000 1.017 16 N CA -0.086 53.013 53.050 0.082 0.000 1.126 16 N CB 0.307 38.819 38.487 0.042 0.000 1.642 16 N HN 0.001 nan 8.380 nan 0.000 0.548 17 N N 0.275 119.020 118.700 0.076 0.000 2.282 17 N HA 0.304 5.049 4.740 0.008 0.000 0.185 17 N C -0.549 174.971 175.510 0.017 0.000 1.099 17 N CA 0.269 53.333 53.050 0.023 0.000 0.878 17 N CB 1.575 40.055 38.487 -0.011 0.000 0.993 17 N HN 0.303 nan 8.380 nan 0.000 0.481 18 I N 2.304 122.857 120.570 -0.028 0.000 2.468 18 I HA 0.389 4.564 4.170 0.008 0.000 0.284 18 I C -0.434 175.572 176.117 -0.185 0.000 1.038 18 I CA -0.706 60.443 61.300 -0.252 0.000 1.083 18 I CB 1.539 39.325 38.000 -0.356 0.000 1.223 18 I HN -0.141 nan 8.210 nan 0.000 0.443 19 I N 2.096 122.544 120.570 -0.205 0.000 3.322 19 I HA 0.635 4.810 4.170 0.008 0.000 0.313 19 I C -1.162 174.827 176.117 -0.213 0.000 1.129 19 I CA -1.132 60.050 61.300 -0.196 0.000 0.963 19 I CB 2.431 40.300 38.000 -0.219 0.000 1.273 19 I HN 0.252 nan 8.210 nan 0.000 0.473 20 M N 3.531 123.046 119.600 -0.142 0.000 2.036 20 M HA 0.446 4.931 4.480 0.008 0.000 0.337 20 M C -0.679 175.670 176.300 0.081 0.000 1.012 20 M CA -0.357 54.922 55.300 -0.036 0.000 0.962 20 M CB 0.959 33.505 32.600 -0.090 0.000 1.423 20 M HN 0.712 nan 8.290 nan 0.000 0.405 21 M N 2.188 121.834 119.600 0.078 0.000 2.409 21 M HA 0.317 4.802 4.480 0.008 0.000 0.329 21 M C -0.311 176.058 176.300 0.116 0.000 1.180 21 M CA -0.146 55.169 55.300 0.026 0.000 1.053 21 M CB 1.418 33.886 32.600 -0.220 0.000 1.586 21 M HN 0.650 nan 8.290 nan 0.000 0.461 22 E N 5.079 125.252 120.200 -0.045 0.000 2.173 22 E HA 0.402 4.757 4.350 0.008 0.000 0.249 22 E C -2.432 174.085 176.600 -0.139 0.000 0.923 22 E CA -2.188 54.052 56.400 -0.267 0.000 0.754 22 E CB 0.784 30.258 29.700 -0.376 0.000 1.177 22 E HN 0.354 nan 8.360 nan 0.000 0.430 23 P HA -0.045 nan 4.420 nan 0.000 0.265 23 P C -2.219 174.933 177.300 -0.246 0.000 1.187 23 P CA -0.830 62.160 63.100 -0.183 0.000 0.766 23 P CB 0.401 31.972 31.700 -0.214 0.000 0.820 24 P HA -0.182 nan 4.420 nan 0.000 0.216 24 P C 0.920 178.120 177.300 -0.167 0.000 1.157 24 P CA 1.636 64.585 63.100 -0.253 0.000 0.880 24 P CB -0.306 31.150 31.700 -0.405 0.000 0.791 25 F N -1.687 117.985 119.950 -0.464 0.000 2.816 25 F HA 0.093 4.625 4.527 0.008 0.000 0.302 25 F C 1.985 177.606 175.800 -0.299 0.000 1.178 25 F CA -0.240 57.477 58.000 -0.471 0.000 1.421 25 F CB -0.168 38.389 39.000 -0.738 0.000 1.114 25 F HN -0.047 nan 8.300 nan 0.000 0.573 26 A N 0.077 122.858 122.820 -0.065 0.000 2.178 26 A HA 0.046 4.371 4.320 0.008 0.000 0.211 26 A C 1.521 179.096 177.584 -0.015 0.000 1.157 26 A CA -0.003 52.076 52.037 0.071 0.000 0.780 26 A CB -0.150 18.877 19.000 0.045 0.000 0.828 26 A HN 0.357 nan 8.150 nan 0.000 0.476 27 R N -2.212 118.286 120.500 -0.003 0.000 3.758 27 R HA -0.217 4.128 4.340 0.008 0.000 0.299 27 R C 0.960 177.040 176.300 -0.366 0.000 1.182 27 R CA 0.777 56.858 56.100 -0.031 0.000 0.809 27 R CB -2.513 27.775 30.300 -0.020 0.000 1.249 27 R HN 1.603 nan 8.270 nan 0.000 0.497 28 G N 0.222 108.706 108.800 -0.526 0.000 2.225 28 G HA2 -0.364 3.601 3.960 0.008 0.000 0.267 28 G HA3 -0.364 3.601 3.960 0.008 0.000 0.267 28 G C 0.124 174.630 174.900 -0.657 0.000 1.024 28 G CA 1.023 45.457 45.100 -1.109 0.000 0.784 28 G HN 0.756 nan 8.290 nan 0.000 0.507 29 T N -2.027 112.317 114.554 -0.349 0.000 2.864 29 T HA 0.776 5.131 4.350 0.008 0.000 0.310 29 T C 0.945 175.577 174.700 -0.113 0.000 1.040 29 T CA 0.487 62.468 62.100 -0.199 0.000 0.977 29 T CB 1.658 70.445 68.868 -0.134 0.000 0.976 29 T HN 2.184 nan 8.240 nan 0.000 0.459 30 G N 2.617 111.377 108.800 -0.067 0.000 2.977 30 G HA2 0.006 3.971 3.960 0.008 0.000 0.308 30 G HA3 0.006 3.971 3.960 0.008 0.000 0.308 30 G C -0.120 174.773 174.900 -0.011 0.000 1.491 30 G CA 0.124 45.228 45.100 0.007 0.000 0.971 30 G HN 1.779 nan 8.290 nan 0.000 0.557 31 R N -1.874 118.662 120.500 0.059 0.000 1.795 31 R HA -0.122 4.223 4.340 0.008 0.000 0.370 31 R C -0.978 175.348 176.300 0.042 0.000 1.246 31 R CA 1.061 57.177 56.100 0.028 0.000 1.151 31 R CB -1.713 28.578 30.300 -0.016 0.000 3.310 31 R HN 1.011 nan 8.270 nan 0.000 0.486 32 Y N 4.388 124.682 120.300 -0.010 0.000 2.496 32 Y HA 0.565 5.121 4.550 0.009 0.000 0.331 32 Y C -0.068 175.854 175.900 0.037 0.000 1.140 32 Y CA -0.396 57.768 58.100 0.107 0.000 1.166 32 Y CB 1.337 39.815 38.460 0.029 0.000 1.249 32 Y HN 0.383 nan 8.280 nan 0.000 0.479 33 Y N 0.590 120.992 120.300 0.170 0.000 2.376 33 Y HA 0.316 4.871 4.550 0.009 0.000 0.340 33 Y C -0.058 175.880 175.900 0.063 0.000 0.965 33 Y CA -1.780 56.401 58.100 0.135 0.000 1.078 33 Y CB 1.495 40.061 38.460 0.177 0.000 1.193 33 Y HN 0.354 nan 8.280 nan 0.000 0.452 34 K N 2.636 123.140 120.400 0.172 0.000 2.402 34 K HA 0.536 4.861 4.320 0.008 0.000 0.285 34 K C -0.612 176.011 176.600 0.038 0.000 1.054 34 K CA 0.061 56.345 56.287 -0.005 0.000 1.001 34 K CB 0.057 32.523 32.500 -0.057 0.000 0.946 34 K HN 0.818 nan 8.250 nan 0.000 0.473 35 A N 4.607 127.335 122.820 -0.153 0.000 2.355 35 A HA 0.690 5.015 4.320 0.008 0.000 0.324 35 A C -1.394 176.118 177.584 -0.119 0.000 1.117 35 A CA -0.763 51.281 52.037 0.012 0.000 0.785 35 A CB 0.579 19.533 19.000 -0.077 0.000 1.254 35 A HN 0.604 nan 8.150 nan 0.000 0.453 36 F N 0.873 120.911 119.950 0.147 0.000 2.493 36 F HA 0.443 4.975 4.527 0.008 0.000 0.329 36 F C 0.508 176.208 175.800 -0.166 0.000 1.126 36 F CA -0.682 57.187 58.000 -0.218 0.000 0.937 36 F CB 2.149 40.612 39.000 -0.896 0.000 1.146 36 F HN 0.558 nan 8.300 nan 0.000 0.442 37 K N 4.412 124.599 120.400 -0.355 0.000 2.292 37 K HA 0.260 4.585 4.320 0.008 0.000 0.290 37 K C 0.866 177.347 176.600 -0.199 0.000 1.083 37 K CA -0.002 55.799 56.287 -0.810 0.000 0.918 37 K CB 0.394 32.188 32.500 -1.177 0.000 1.089 37 K HN 0.929 nan 8.250 nan 0.000 0.473 38 I N 3.044 123.526 120.570 -0.147 0.000 2.500 38 I HA -0.113 4.062 4.170 0.008 0.000 0.252 38 I C 0.385 176.395 176.117 -0.179 0.000 1.142 38 I CA 0.996 62.258 61.300 -0.064 0.000 1.451 38 I CB 0.374 38.173 38.000 -0.336 0.000 1.093 38 I HN 0.785 nan 8.210 nan 0.000 0.430 39 T N -3.218 111.199 114.554 -0.228 0.000 2.762 39 T HA 0.247 4.602 4.350 0.008 0.000 0.301 39 T C -0.939 173.641 174.700 -0.201 0.000 1.299 39 T CA -0.965 61.046 62.100 -0.149 0.000 1.005 39 T CB 1.260 70.096 68.868 -0.053 0.000 1.377 39 T HN -0.134 nan 8.240 nan 0.000 0.504 40 D N 1.542 121.864 120.400 -0.131 0.000 2.488 40 D HA 0.182 4.827 4.640 0.008 0.000 0.238 40 D C 0.913 177.147 176.300 -0.111 0.000 1.138 40 D CA 0.464 54.388 54.000 -0.126 0.000 0.873 40 D CB 0.337 41.099 40.800 -0.064 0.000 1.183 40 D HN 0.617 nan 8.370 nan 0.000 0.458 41 R N 0.401 120.841 120.500 -0.101 0.000 4.010 41 R HA -0.208 4.137 4.340 0.008 0.000 0.409 41 R C -0.246 176.057 176.300 0.005 0.000 1.120 41 R CA 0.757 56.868 56.100 0.018 0.000 1.244 41 R CB -2.109 28.225 30.300 0.056 0.000 1.799 41 R HN 0.561 nan 8.270 nan 0.000 0.559 42 I N 0.016 120.476 120.570 -0.184 0.000 2.418 42 I HA 0.343 4.518 4.170 0.008 0.000 0.287 42 I C -0.226 175.716 176.117 -0.292 0.000 1.008 42 I CA -0.667 60.578 61.300 -0.091 0.000 1.104 42 I CB 1.296 39.292 38.000 -0.006 0.000 1.264 42 I HN -0.126 nan 8.210 nan 0.000 0.438 43 W N 6.516 127.824 121.300 0.013 0.000 2.689 43 W HA 0.620 5.285 4.660 0.008 0.000 0.340 43 W C -0.619 175.905 176.519 0.008 0.000 1.060 43 W CA -0.597 56.747 57.345 -0.002 0.000 1.218 43 W CB 1.437 30.878 29.460 -0.032 0.000 1.410 43 W HN 0.051 nan 8.180 nan 0.000 0.528 44 I N 3.991 124.745 120.570 0.306 0.000 2.406 44 I HA 0.394 4.569 4.170 0.008 0.000 0.290 44 I C -0.501 175.794 176.117 0.296 0.000 0.999 44 I CA -1.196 60.267 61.300 0.271 0.000 1.124 44 I CB 1.313 39.482 38.000 0.282 0.000 1.289 44 I HN 0.377 nan 8.210 nan 0.000 0.441 45 I N 7.981 128.632 120.570 0.135 0.000 2.464 45 I HA 0.209 4.384 4.170 0.008 0.000 0.277 45 I C -1.963 174.237 176.117 0.138 0.000 1.040 45 I CA -1.531 59.834 61.300 0.109 0.000 1.153 45 I CB 2.075 39.903 38.000 -0.288 0.000 1.274 45 I HN 0.257 nan 8.210 nan 0.000 0.469 46 P HA 0.095 nan 4.420 nan 0.000 0.237 46 P C -0.534 176.624 177.300 -0.237 0.000 1.701 46 P CA 0.528 63.505 63.100 -0.206 0.000 0.955 46 P CB -0.051 31.616 31.700 -0.056 0.000 1.937 47 E N 0.536 120.691 120.200 -0.076 0.000 2.408 47 E HA 0.368 4.723 4.350 0.008 0.000 0.275 47 E C -0.183 176.495 176.600 0.129 0.000 0.935 47 E CA -1.184 55.239 56.400 0.039 0.000 0.775 47 E CB 1.636 31.491 29.700 0.258 0.000 1.277 47 E HN 0.058 nan 8.360 nan 0.000 0.455 48 R N 0.958 121.503 120.500 0.076 0.000 2.679 48 R HA 0.050 4.395 4.340 0.008 0.000 0.268 48 R C -0.508 175.919 176.300 0.212 0.000 1.044 48 R CA 0.113 56.299 56.100 0.142 0.000 1.105 48 R CB -0.099 30.200 30.300 -0.002 0.000 0.989 48 R HN 0.541 nan 8.270 nan 0.000 0.447 49 Y N 1.650 122.031 120.300 0.136 0.000 2.452 49 Y HA 0.010 4.565 4.550 0.009 0.000 0.348 49 Y C 1.168 177.118 175.900 0.083 0.000 0.985 49 Y CA 0.284 58.397 58.100 0.021 0.000 1.214 49 Y CB 0.677 39.179 38.460 0.070 0.000 1.136 49 Y HN 0.674 nan 8.280 nan 0.000 0.523 50 T N 1.630 115.986 114.554 -0.331 0.000 3.023 50 T HA 0.202 4.557 4.350 0.008 0.000 0.253 50 T C 0.054 174.679 174.700 -0.125 0.000 1.038 50 T CA -0.279 61.781 62.100 -0.067 0.000 0.962 50 T CB -0.545 68.196 68.868 -0.212 0.000 1.018 50 T HN 0.335 nan 8.240 nan 0.000 0.521 51 F N 2.842 122.700 119.950 -0.152 0.000 2.538 51 F HA 0.450 4.982 4.527 0.008 0.000 0.382 51 F C 1.775 177.632 175.800 0.096 0.000 1.069 51 F CA 0.836 58.783 58.000 -0.087 0.000 1.138 51 F CB -0.307 38.550 39.000 -0.238 0.000 1.068 51 F HN 0.350 nan 8.300 nan 0.000 0.556 52 G N 2.083 110.949 108.800 0.111 0.000 2.157 52 G HA2 -0.297 3.668 3.960 0.008 0.000 0.239 52 G HA3 -0.297 3.668 3.960 0.008 0.000 0.239 52 G C -0.483 174.370 174.900 -0.079 0.000 0.982 52 G CA -0.561 44.483 45.100 -0.093 0.000 0.650 52 G HN 0.586 nan 8.290 nan 0.000 0.527 53 Y N 0.429 120.872 120.300 0.237 0.000 2.468 53 Y HA 0.615 5.170 4.550 0.008 0.000 0.342 53 Y C 0.739 176.775 175.900 0.227 0.000 1.021 53 Y CA -1.024 57.218 58.100 0.235 0.000 1.079 53 Y CB 1.386 39.923 38.460 0.128 0.000 1.226 53 Y HN 0.001 nan 8.280 nan 0.000 0.460 54 K N 3.482 124.118 120.400 0.393 0.000 2.218 54 K HA 0.191 4.516 4.320 0.008 0.000 0.276 54 K C -2.050 174.769 176.600 0.364 0.000 1.022 54 K CA -1.500 54.957 56.287 0.284 0.000 0.946 54 K CB 0.738 33.363 32.500 0.209 0.000 1.000 54 K HN 0.315 nan 8.250 nan 0.000 0.468 55 P HA -0.266 nan 4.420 nan 0.000 0.216 55 P C 0.985 178.464 177.300 0.300 0.000 1.153 55 P CA 1.283 64.543 63.100 0.265 0.000 0.858 55 P CB 0.176 31.936 31.700 0.100 0.000 0.789 56 E N -0.432 119.889 120.200 0.202 0.000 2.204 56 E HA -0.195 4.160 4.350 0.008 0.000 0.194 56 E C 0.902 177.609 176.600 0.178 0.000 0.989 56 E CA 1.216 57.707 56.400 0.151 0.000 0.824 56 E CB -1.146 28.604 29.700 0.083 0.000 0.756 56 E HN 0.225 nan 8.360 nan 0.000 0.477 57 D N 0.284 120.825 120.400 0.235 0.000 2.384 57 D HA -0.066 4.579 4.640 0.008 0.000 0.222 57 D C 0.940 177.366 176.300 0.209 0.000 0.976 57 D CA 0.473 54.603 54.000 0.216 0.000 0.915 57 D CB -0.411 40.611 40.800 0.371 0.000 0.896 57 D HN 0.225 nan 8.370 nan 0.000 0.523 58 F N 0.528 120.582 119.950 0.173 0.000 2.748 58 F HA 0.047 4.579 4.527 0.009 0.000 0.299 58 F C 1.036 176.931 175.800 0.158 0.000 1.154 58 F CA 0.230 58.322 58.000 0.153 0.000 1.446 58 F CB 0.059 39.085 39.000 0.043 0.000 1.112 58 F HN -0.204 nan 8.300 nan 0.000 0.584 59 N N 0.918 119.730 118.700 0.185 0.000 2.487 59 N HA 0.066 4.811 4.740 0.008 0.000 0.292 59 N C -0.140 175.215 175.510 -0.259 0.000 1.108 59 N CA -0.492 52.569 53.050 0.018 0.000 0.956 59 N CB 1.052 39.540 38.487 0.001 0.000 1.176 59 N HN -0.151 nan 8.380 nan 0.000 0.484 60 K N 1.230 121.419 120.400 -0.352 0.000 2.448 60 K HA 0.078 4.403 4.320 0.008 0.000 0.278 60 K C 0.020 176.371 176.600 -0.414 0.000 1.009 60 K CA 0.329 56.215 56.287 -0.667 0.000 0.995 60 K CB 0.243 32.589 32.500 -0.257 0.000 0.917 60 K HN 0.832 nan 8.250 nan 0.000 0.481 61 S N 0.823 116.249 115.700 -0.457 0.000 2.998 61 S HA 0.230 4.705 4.470 0.008 0.000 0.323 61 S C 0.514 174.999 174.600 -0.192 0.000 1.141 61 S CA -0.095 57.952 58.200 -0.254 0.000 0.873 61 S CB 0.694 63.758 63.200 -0.228 0.000 1.315 61 S HN 0.500 nan 8.310 nan 0.000 0.637 62 S N -0.608 115.011 115.700 -0.135 0.000 2.631 62 S HA 0.445 4.920 4.470 0.008 0.000 0.217 62 S C 0.724 175.271 174.600 -0.088 0.000 0.958 62 S CA -0.043 58.101 58.200 -0.092 0.000 0.920 62 S CB -0.910 62.249 63.200 -0.067 0.000 0.776 62 S HN 1.170 nan 8.310 nan 0.000 0.517 63 G N 0.996 109.713 108.800 -0.138 0.000 2.644 63 G HA2 0.725 4.690 3.960 0.008 0.000 0.307 63 G HA3 0.725 4.690 3.960 0.008 0.000 0.307 63 G C -1.019 173.793 174.900 -0.146 0.000 1.250 63 G CA -0.987 44.029 45.100 -0.140 0.000 0.996 63 G HN 0.576 nan 8.290 nan 0.000 0.489 64 I N -4.146 116.343 120.570 -0.136 0.000 3.006 64 I HA 0.625 4.800 4.170 0.008 0.000 0.306 64 I C -0.476 175.552 176.117 -0.148 0.000 1.250 64 I CA -1.129 60.140 61.300 -0.052 0.000 0.996 64 I CB 1.583 39.627 38.000 0.073 0.000 1.261 64 I HN 0.414 nan 8.210 nan 0.000 0.442 65 F N 0.363 120.359 119.950 0.076 0.000 2.274 65 F HA 0.272 4.804 4.527 0.008 0.000 0.288 65 F C 1.179 176.971 175.800 -0.015 0.000 1.069 65 F CA 0.697 58.718 58.000 0.036 0.000 1.343 65 F CB 0.298 39.317 39.000 0.031 0.000 1.089 65 F HN 0.578 nan 8.300 nan 0.000 0.517 66 N N 0.302 119.101 118.700 0.166 0.000 2.372 66 N HA 0.191 4.936 4.740 0.008 0.000 0.291 66 N C 0.359 175.868 175.510 -0.002 0.000 1.024 66 N CA -0.210 52.872 53.050 0.053 0.000 0.873 66 N CB 1.485 39.996 38.487 0.040 0.000 1.206 66 N HN 0.073 nan 8.380 nan 0.000 0.486 67 R N 0.966 121.407 120.500 -0.099 0.000 2.280 67 R HA 0.014 4.359 4.340 0.008 0.000 0.207 67 R C -0.033 176.299 176.300 0.053 0.000 1.043 67 R CA 0.674 56.675 56.100 -0.165 0.000 1.006 67 R CB 0.310 30.319 30.300 -0.485 0.000 0.885 67 R HN 0.465 nan 8.270 nan 0.000 0.467 68 D N 0.345 120.766 120.400 0.036 0.000 2.772 68 D HA 0.142 4.788 4.640 0.008 0.000 0.272 68 D C -1.208 175.102 176.300 0.015 0.000 1.314 68 D CA 0.097 54.125 54.000 0.047 0.000 0.835 68 D CB 0.645 41.456 40.800 0.019 0.000 1.080 68 D HN -0.177 nan 8.370 nan 0.000 0.482 69 V N 0.604 120.542 119.914 0.040 0.000 2.808 69 V HA 0.220 4.345 4.120 0.008 0.000 0.308 69 V C 0.012 176.144 176.094 0.063 0.000 1.099 69 V CA -0.958 61.358 62.300 0.027 0.000 0.920 69 V CB 2.158 33.983 31.823 0.004 0.000 1.014 69 V HN 0.159 nan 8.190 nan 0.000 0.425 70 C N 3.760 123.096 119.300 0.060 0.000 2.345 70 C HA 0.291 4.756 4.460 0.008 0.000 0.349 70 C C 0.793 175.842 174.990 0.097 0.000 1.130 70 C CA -0.744 58.327 59.018 0.088 0.000 1.574 70 C CB -1.653 26.134 27.740 0.078 0.000 2.108 70 C HN 0.792 nan 8.230 nan 0.000 0.516 71 E N 1.907 122.180 120.200 0.122 0.000 2.259 71 E HA 0.143 4.498 4.350 0.008 0.000 0.281 71 E C -0.775 175.912 176.600 0.145 0.000 1.037 71 E CA -0.062 56.387 56.400 0.082 0.000 0.854 71 E CB 0.890 30.658 29.700 0.113 0.000 1.051 71 E HN 0.651 nan 8.360 nan 0.000 0.409 72 Y N 3.571 123.798 120.300 -0.122 0.000 2.330 72 Y HA 0.265 4.820 4.550 0.008 0.000 0.336 72 Y C -1.386 174.359 175.900 -0.260 0.000 1.036 72 Y CA -0.878 57.177 58.100 -0.074 0.000 1.125 72 Y CB 0.569 38.962 38.460 -0.111 0.000 1.194 72 Y HN 0.381 nan 8.280 nan 0.000 0.469 73 Y N 3.756 123.565 120.300 -0.817 0.000 2.429 73 Y HA 0.469 5.024 4.550 0.008 0.000 0.342 73 Y C -0.560 174.810 175.900 -0.883 0.000 1.004 73 Y CA -1.082 56.641 58.100 -0.630 0.000 1.075 73 Y CB 1.794 40.071 38.460 -0.304 0.000 1.214 73 Y HN 0.548 nan 8.280 nan 0.000 0.455 74 D N 3.592 123.758 120.400 -0.389 0.000 2.362 74 D HA 0.128 4.773 4.640 0.008 0.000 0.228 74 D C -2.402 173.862 176.300 -0.060 0.000 1.326 74 D CA -1.356 52.460 54.000 -0.305 0.000 0.927 74 D CB 1.636 42.240 40.800 -0.327 0.000 1.501 74 D HN 0.233 nan 8.370 nan 0.000 0.519 75 P HA -0.012 nan 4.420 nan 0.000 0.230 75 P C 0.394 177.702 177.300 0.013 0.000 1.158 75 P CA 0.553 63.691 63.100 0.064 0.000 0.769 75 P CB 0.664 32.402 31.700 0.063 0.000 0.807 76 D N -1.646 118.766 120.400 0.019 0.000 2.333 76 D HA -0.046 4.599 4.640 0.008 0.000 0.208 76 D C 0.664 177.002 176.300 0.063 0.000 0.984 76 D CA -0.002 54.011 54.000 0.021 0.000 0.873 76 D CB -0.745 40.069 40.800 0.022 0.000 0.935 76 D HN 0.191 nan 8.370 nan 0.000 0.521 77 Y N 1.925 122.210 120.300 -0.025 0.000 2.810 77 Y HA -0.058 4.497 4.550 0.009 0.000 0.332 77 Y C 1.208 177.094 175.900 -0.025 0.000 1.243 77 Y CA 0.116 58.220 58.100 0.006 0.000 1.537 77 Y CB 0.116 38.578 38.460 0.003 0.000 1.265 77 Y HN -0.030 nan 8.280 nan 0.000 0.572 78 L N 3.663 124.591 121.223 -0.491 0.000 4.040 78 L HA -0.388 3.958 4.340 0.008 0.000 0.410 78 L C 0.781 177.510 176.870 -0.235 0.000 1.187 78 L CA 0.865 55.447 54.840 -0.429 0.000 0.956 78 L CB -1.404 40.376 42.059 -0.466 0.000 2.022 78 L HN 0.817 nan 8.230 nan 0.000 0.897 79 N N -0.443 118.164 118.700 -0.156 0.000 2.322 79 N HA 0.030 4.775 4.740 0.008 0.000 0.194 79 N C 0.382 175.833 175.510 -0.098 0.000 1.126 79 N CA 0.717 53.699 53.050 -0.113 0.000 0.845 79 N CB 0.217 38.659 38.487 -0.076 0.000 0.976 79 N HN 0.553 nan 8.380 nan 0.000 0.475 80 T N -4.128 110.355 114.554 -0.119 0.000 2.896 80 T HA 0.388 4.743 4.350 0.008 0.000 0.297 80 T C 0.424 175.046 174.700 -0.131 0.000 1.108 80 T CA -0.755 61.292 62.100 -0.088 0.000 1.004 80 T CB 1.416 70.252 68.868 -0.054 0.000 1.159 80 T HN -0.241 nan 8.240 nan 0.000 0.499 81 N N 0.637 119.294 118.700 -0.071 0.000 2.149 81 N HA -0.082 4.664 4.740 0.008 0.000 0.188 81 N C 1.367 176.819 175.510 -0.098 0.000 1.019 81 N CA 1.556 54.564 53.050 -0.071 0.000 0.857 81 N CB -0.369 38.194 38.487 0.126 0.000 0.997 81 N HN 0.852 nan 8.380 nan 0.000 0.426 82 D N 0.093 120.469 120.400 -0.040 0.000 2.178 82 D HA -0.047 4.598 4.640 0.008 0.000 0.202 82 D C 1.496 177.757 176.300 -0.064 0.000 0.974 82 D CA 1.057 55.043 54.000 -0.023 0.000 0.841 82 D CB 0.186 40.987 40.800 0.001 0.000 0.953 82 D HN 0.181 nan 8.370 nan 0.000 0.478 83 K N -0.048 120.287 120.400 -0.108 0.000 2.097 83 K HA -0.075 4.250 4.320 0.008 0.000 0.205 83 K C 2.112 178.603 176.600 -0.181 0.000 1.050 83 K CA 0.832 57.037 56.287 -0.136 0.000 0.938 83 K CB 0.085 32.474 32.500 -0.185 0.000 0.718 83 K HN 0.102 nan 8.250 nan 0.000 0.442 84 K N 0.806 121.023 120.400 -0.306 0.000 2.057 84 K HA -0.133 4.192 4.320 0.008 0.000 0.207 84 K C 1.958 178.416 176.600 -0.236 0.000 1.049 84 K CA 1.155 57.180 56.287 -0.436 0.000 0.931 84 K CB -0.168 31.715 32.500 -1.028 0.000 0.714 84 K HN 0.222 nan 8.250 nan 0.000 0.440 85 N N 1.143 119.744 118.700 -0.165 0.000 2.244 85 N HA -0.134 4.611 4.740 0.008 0.000 0.183 85 N C 1.812 177.346 175.510 0.039 0.000 1.016 85 N CA 0.764 53.822 53.050 0.013 0.000 0.866 85 N CB 0.076 38.609 38.487 0.078 0.000 0.980 85 N HN 0.128 nan 8.380 nan 0.000 0.430 86 I N 0.175 120.763 120.570 0.030 0.000 2.252 86 I HA -0.246 3.929 4.170 0.008 0.000 0.245 86 I C 2.112 178.283 176.117 0.091 0.000 1.102 86 I CA 0.833 62.163 61.300 0.050 0.000 1.385 86 I CB -0.373 37.652 38.000 0.042 0.000 1.064 86 I HN 0.116 nan 8.210 nan 0.000 0.414 87 F N 1.548 121.474 119.950 -0.040 0.000 2.095 87 F HA -0.254 4.278 4.527 0.008 0.000 0.298 87 F C 2.278 178.107 175.800 0.047 0.000 1.104 87 F CA 1.718 59.729 58.000 0.017 0.000 1.232 87 F CB -0.185 38.798 39.000 -0.028 0.000 0.987 87 F HN -0.115 nan 8.300 nan 0.000 0.475 88 L N -0.221 121.127 121.223 0.209 0.000 1.989 88 L HA -0.269 4.076 4.340 0.008 0.000 0.211 88 L C 2.652 179.531 176.870 0.015 0.000 1.071 88 L CA 1.286 56.200 54.840 0.123 0.000 0.749 88 L CB -0.867 41.245 42.059 0.089 0.000 0.890 88 L HN 0.188 nan 8.230 nan 0.000 0.431 89 Q N -0.608 119.193 119.800 0.002 0.000 2.170 89 Q HA -0.152 4.193 4.340 0.008 0.000 0.203 89 Q C 2.161 178.141 176.000 -0.033 0.000 0.976 89 Q CA 1.939 57.722 55.803 -0.035 0.000 0.858 89 Q CB -0.889 27.843 28.738 -0.011 0.000 0.907 89 Q HN 0.509 nan 8.270 nan 0.000 0.433 90 T N 1.094 115.626 114.554 -0.037 0.000 2.777 90 T HA -0.056 4.299 4.350 0.008 0.000 0.266 90 T C 1.819 176.498 174.700 -0.035 0.000 1.040 90 T CA 0.960 63.036 62.100 -0.040 0.000 1.141 90 T CB -0.022 68.807 68.868 -0.066 0.000 0.868 90 T HN 0.115 nan 8.240 nan 0.000 0.444 91 M N 0.715 120.256 119.600 -0.098 0.000 2.159 91 M HA 0.097 4.583 4.480 0.008 0.000 0.263 91 M C 2.293 178.632 176.300 0.066 0.000 1.063 91 M CA 1.152 56.443 55.300 -0.014 0.000 1.110 91 M CB -1.185 31.366 32.600 -0.082 0.000 1.374 91 M HN 0.270 nan 8.290 nan 0.000 0.411 92 I N -0.165 120.382 120.570 -0.038 0.000 2.226 92 I HA -0.326 3.849 4.170 0.008 0.000 0.245 92 I C 2.572 178.707 176.117 0.030 0.000 1.100 92 I CA 1.257 62.513 61.300 -0.075 0.000 1.374 92 I CB -0.398 37.485 38.000 -0.195 0.000 1.057 92 I HN 0.325 nan 8.210 nan 0.000 0.413 93 K N 1.284 121.707 120.400 0.039 0.000 2.057 93 K HA -0.152 4.174 4.320 0.008 0.000 0.207 93 K C 2.159 178.838 176.600 0.132 0.000 1.049 93 K CA 1.264 57.597 56.287 0.077 0.000 0.931 93 K CB -0.034 32.518 32.500 0.087 0.000 0.714 93 K HN 0.240 nan 8.250 nan 0.000 0.440 94 L N -0.121 121.195 121.223 0.156 0.000 2.046 94 L HA -0.157 4.188 4.340 0.008 0.000 0.208 94 L C 2.252 179.187 176.870 0.109 0.000 1.077 94 L CA 1.066 55.995 54.840 0.148 0.000 0.747 94 L CB -0.427 41.707 42.059 0.124 0.000 0.896 94 L HN 0.142 nan 8.230 nan 0.000 0.432 95 F N 0.446 120.377 119.950 -0.031 0.000 2.186 95 F HA -0.166 4.366 4.527 0.009 0.000 0.299 95 F C 2.504 178.294 175.800 -0.016 0.000 1.090 95 F CA 1.123 59.100 58.000 -0.038 0.000 1.307 95 F CB -0.498 38.473 39.000 -0.047 0.000 1.019 95 F HN 0.143 nan 8.300 nan 0.000 0.489 96 N N 0.015 118.812 118.700 0.162 0.000 2.188 96 N HA -0.167 4.578 4.740 0.008 0.000 0.184 96 N C 2.069 177.621 175.510 0.069 0.000 1.018 96 N CA 0.900 54.002 53.050 0.088 0.000 0.858 96 N CB -0.346 38.173 38.487 0.053 0.000 0.989 96 N HN 0.258 nan 8.380 nan 0.000 0.426 97 R N 1.050 121.592 120.500 0.070 0.000 2.092 97 R HA 0.050 4.395 4.340 0.008 0.000 0.231 97 R C 2.220 178.589 176.300 0.114 0.000 1.119 97 R CA 0.808 56.951 56.100 0.070 0.000 0.970 97 R CB -0.193 30.144 30.300 0.062 0.000 0.864 97 R HN 0.137 nan 8.270 nan 0.000 0.440 98 I N 1.621 122.205 120.570 0.023 0.000 2.179 98 I HA -0.301 3.874 4.170 0.008 0.000 0.242 98 I C 2.047 178.225 176.117 0.102 0.000 1.088 98 I CA 1.814 63.097 61.300 -0.029 0.000 1.357 98 I CB -0.289 37.570 38.000 -0.235 0.000 1.051 98 I HN 0.292 nan 8.210 nan 0.000 0.409 99 K N 0.928 121.370 120.400 0.071 0.000 2.487 99 K HA 0.037 4.362 4.320 0.008 0.000 0.192 99 K C 1.704 178.348 176.600 0.074 0.000 1.027 99 K CA 0.946 57.279 56.287 0.077 0.000 1.054 99 K CB -0.173 32.361 32.500 0.058 0.000 0.824 99 K HN 0.254 nan 8.250 nan 0.000 0.510 100 S N 0.397 116.151 115.700 0.089 0.000 2.500 100 S HA -0.049 4.426 4.470 0.008 0.000 0.239 100 S C 0.247 174.832 174.600 -0.026 0.000 0.989 100 S CA 0.197 58.417 58.200 0.034 0.000 0.951 100 S CB -0.272 62.949 63.200 0.034 0.000 0.759 100 S HN 0.316 nan 8.310 nan 0.000 0.523 101 K N 0.502 120.894 120.400 -0.013 0.000 2.426 101 K HA 0.384 4.709 4.320 0.008 0.000 0.251 101 K C -2.564 174.032 176.600 -0.005 0.000 0.941 101 K CA -2.485 53.725 56.287 -0.129 0.000 0.808 101 K CB 1.970 34.151 32.500 -0.531 0.000 1.265 101 K HN -0.255 nan 8.250 nan 0.000 0.432 102 P HA -0.233 nan 4.420 nan 0.000 0.216 102 P C 1.281 178.630 177.300 0.082 0.000 1.157 102 P CA 0.927 64.041 63.100 0.023 0.000 0.880 102 P CB 0.224 31.922 31.700 -0.003 0.000 0.791 103 L N -0.346 120.934 121.223 0.096 0.000 2.013 103 L HA -0.104 4.241 4.340 0.008 0.000 0.212 103 L C 2.242 179.284 176.870 0.286 0.000 1.073 103 L CA 2.589 57.541 54.840 0.187 0.000 0.753 103 L CB -1.647 40.526 42.059 0.189 0.000 0.890 103 L HN -0.025 nan 8.230 nan 0.000 0.432 104 G N -1.638 107.357 108.800 0.324 0.000 2.421 104 G HA2 -0.254 3.711 3.960 0.008 0.000 0.217 104 G HA3 -0.254 3.711 3.960 0.008 0.000 0.217 104 G C 1.500 176.456 174.900 0.094 0.000 1.143 104 G CA 0.623 45.847 45.100 0.205 0.000 0.784 104 G HN 0.549 nan 8.290 nan 0.000 0.541 105 E N 0.413 120.678 120.200 0.108 0.000 2.106 105 E HA -0.105 4.250 4.350 0.008 0.000 0.192 105 E C 2.287 178.917 176.600 0.049 0.000 0.984 105 E CA 0.795 57.230 56.400 0.058 0.000 0.806 105 E CB -0.043 29.690 29.700 0.054 0.000 0.750 105 E HN 0.281 nan 8.360 nan 0.000 0.458 106 K N 0.335 120.794 120.400 0.098 0.000 2.097 106 K HA -0.159 4.166 4.320 0.008 0.000 0.205 106 K C 2.281 178.900 176.600 0.031 0.000 1.050 106 K CA 0.805 57.164 56.287 0.120 0.000 0.938 106 K CB -0.259 32.378 32.500 0.229 0.000 0.718 106 K HN 0.180 nan 8.250 nan 0.000 0.442 107 L N 1.722 122.925 121.223 -0.034 0.000 2.017 107 L HA -0.157 4.188 4.340 0.008 0.000 0.208 107 L C 2.012 178.710 176.870 -0.288 0.000 1.073 107 L CA 1.505 56.084 54.840 -0.435 0.000 0.745 107 L CB -0.497 41.337 42.059 -0.374 0.000 0.894 107 L HN 0.091 nan 8.230 nan 0.000 0.432 108 L N -0.752 120.380 121.223 -0.151 0.000 2.017 108 L HA -0.214 4.131 4.340 0.008 0.000 0.208 108 L C 2.551 179.392 176.870 -0.049 0.000 1.073 108 L CA 1.593 56.378 54.840 -0.092 0.000 0.745 108 L CB -0.588 41.448 42.059 -0.037 0.000 0.894 108 L HN 0.347 nan 8.230 nan 0.000 0.432 109 E N -0.527 119.654 120.200 -0.032 0.000 2.110 109 E HA -0.222 4.133 4.350 0.008 0.000 0.193 109 E C 2.319 178.909 176.600 -0.016 0.000 0.988 109 E CA 1.078 57.471 56.400 -0.012 0.000 0.804 109 E CB -0.026 29.678 29.700 0.006 0.000 0.745 109 E HN 0.368 nan 8.360 nan 0.000 0.458 110 M N 0.139 119.710 119.600 -0.049 0.000 2.159 110 M HA -0.127 4.358 4.480 0.008 0.000 0.263 110 M C 2.307 178.636 176.300 0.048 0.000 1.063 110 M CA 1.284 56.572 55.300 -0.019 0.000 1.110 110 M CB -0.561 31.931 32.600 -0.180 0.000 1.374 110 M HN 0.180 nan 8.290 nan 0.000 0.411 111 I N -0.142 120.408 120.570 -0.033 0.000 2.252 111 I HA -0.286 3.889 4.170 0.008 0.000 0.245 111 I C 2.291 178.419 176.117 0.019 0.000 1.102 111 I CA 1.058 62.361 61.300 0.005 0.000 1.385 111 I CB -0.217 37.755 38.000 -0.048 0.000 1.064 111 I HN 0.173 nan 8.210 nan 0.000 0.414 112 I N 0.750 121.323 120.570 0.005 0.000 2.226 112 I HA -0.289 3.886 4.170 0.008 0.000 0.245 112 I C 1.917 178.020 176.117 -0.023 0.000 1.100 112 I CA 1.329 62.628 61.300 -0.001 0.000 1.374 112 I CB -0.402 37.595 38.000 -0.005 0.000 1.057 112 I HN 0.312 nan 8.210 nan 0.000 0.413 113 N N 0.758 119.443 118.700 -0.026 0.000 2.422 113 N HA -0.001 4.744 4.740 0.008 0.000 0.181 113 N C 1.340 176.782 175.510 -0.115 0.000 1.080 113 N CA 0.554 53.566 53.050 -0.063 0.000 0.893 113 N CB 0.108 38.570 38.487 -0.042 0.000 0.973 113 N HN 0.270 nan 8.380 nan 0.000 0.456 114 G N 2.304 111.040 108.800 -0.107 0.000 3.401 114 G HA2 0.213 4.178 3.960 0.008 0.000 0.251 114 G HA3 0.213 4.178 3.960 0.008 0.000 0.251 114 G C 0.622 175.365 174.900 -0.262 0.000 0.960 114 G CA -0.435 44.444 45.100 -0.368 0.000 1.900 114 G HN 0.289 nan 8.290 nan 0.000 0.645 115 I N -1.626 118.851 120.570 -0.155 0.000 2.710 115 I HA 0.272 4.447 4.170 0.008 0.000 0.286 115 I C -2.345 173.805 176.117 0.054 0.000 1.181 115 I CA -1.869 59.406 61.300 -0.042 0.000 1.430 115 I CB 0.431 38.388 38.000 -0.071 0.000 1.367 115 I HN -0.082 nan 8.210 nan 0.000 0.577 116 P HA -0.021 nan 4.420 nan 0.000 0.267 116 P C -0.921 176.486 177.300 0.178 0.000 1.200 116 P CA 0.217 63.391 63.100 0.123 0.000 0.772 116 P CB 0.232 32.007 31.700 0.125 0.000 0.855 117 Y N 2.848 123.136 120.300 -0.020 0.000 2.550 117 Y HA 0.045 4.600 4.550 0.009 0.000 0.343 117 Y C 0.492 176.365 175.900 -0.046 0.000 1.245 117 Y CA 0.159 58.081 58.100 -0.296 0.000 1.462 117 Y CB 0.179 38.515 38.460 -0.208 0.000 1.340 117 Y HN 0.168 nan 8.280 nan 0.000 0.604 118 L N 6.881 127.716 121.223 -0.647 0.000 2.384 118 L HA 0.352 4.697 4.340 0.008 0.000 0.258 118 L C 0.627 177.483 176.870 -0.022 0.000 1.266 118 L CA 0.389 54.993 54.840 -0.393 0.000 1.162 118 L CB -1.511 40.068 42.059 -0.800 0.000 1.375 118 L HN 0.932 nan 8.230 nan 0.000 0.420 119 G N 1.460 110.346 108.800 0.143 0.000 2.357 119 G HA2 0.208 4.173 3.960 0.008 0.000 0.289 119 G HA3 0.208 4.173 3.960 0.008 0.000 0.289 119 G C -2.005 172.796 174.900 -0.165 0.000 1.302 119 G CA -0.242 44.923 45.100 0.108 0.000 0.936 119 G HN 0.457 nan 8.290 nan 0.000 0.513 120 D N -2.651 117.439 120.400 -0.516 0.000 2.895 120 D HA 0.383 5.028 4.640 0.008 0.000 0.320 120 D C 1.533 177.175 176.300 -1.097 0.000 1.249 120 D CA -0.051 53.169 54.000 -1.301 0.000 0.997 120 D CB -0.050 40.372 40.800 -0.630 0.000 1.430 120 D HN 0.766 nan 8.370 nan 0.000 0.558 121 R N -0.078 119.937 120.500 -0.808 0.000 2.170 121 R HA -0.062 4.283 4.340 0.008 0.000 0.242 121 R C 1.351 177.559 176.300 -0.154 0.000 1.145 121 R CA 1.132 57.098 56.100 -0.223 0.000 0.984 121 R CB -0.440 29.780 30.300 -0.132 0.000 0.869 121 R HN 0.278 nan 8.270 nan 0.000 0.455 122 R N 0.939 121.330 120.500 -0.181 0.000 2.275 122 R HA 0.147 4.492 4.340 0.008 0.000 0.199 122 R C 0.083 176.342 176.300 -0.069 0.000 0.989 122 R CA 0.198 56.234 56.100 -0.106 0.000 1.016 122 R CB 0.343 30.587 30.300 -0.094 0.000 0.918 122 R HN -0.007 nan 8.270 nan 0.000 0.473 123 V N 3.280 123.150 119.914 -0.073 0.000 2.530 123 V HA 0.133 4.258 4.120 0.008 0.000 0.282 123 V C -2.005 174.101 176.094 0.020 0.000 1.048 123 V CA -1.884 60.410 62.300 -0.010 0.000 0.997 123 V CB 0.981 32.825 31.823 0.036 0.000 0.987 123 V HN -0.015 nan 8.190 nan 0.000 0.477 124 P HA 0.113 nan 4.420 nan 0.000 0.267 124 P C 1.027 178.343 177.300 0.026 0.000 1.200 124 P CA -0.024 63.083 63.100 0.012 0.000 0.772 124 P CB 0.476 32.177 31.700 0.002 0.000 0.855 125 L N 1.624 122.855 121.223 0.013 0.000 2.127 125 L HA -0.208 4.137 4.340 0.008 0.000 0.211 125 L C 1.566 178.429 176.870 -0.012 0.000 1.089 125 L CA 1.693 56.538 54.840 0.010 0.000 0.757 125 L CB -0.808 41.244 42.059 -0.013 0.000 0.899 125 L HN 0.396 nan 8.230 nan 0.000 0.434 126 E N -0.065 120.119 120.200 -0.027 0.000 2.478 126 E HA -0.015 4.340 4.350 0.008 0.000 0.198 126 E C -0.014 176.526 176.600 -0.100 0.000 1.046 126 E CA 0.420 56.785 56.400 -0.059 0.000 0.870 126 E CB 0.061 29.737 29.700 -0.040 0.000 0.818 126 E HN 0.567 nan 8.360 nan 0.000 0.527 127 E N -0.574 119.587 120.200 -0.065 0.000 2.320 127 E HA 0.451 4.806 4.350 0.008 0.000 0.264 127 E C -0.788 175.822 176.600 0.017 0.000 0.923 127 E CA -0.742 55.621 56.400 -0.062 0.000 0.796 127 E CB 1.592 31.297 29.700 0.008 0.000 1.262 127 E HN -0.057 nan 8.360 nan 0.000 0.428 128 F N 1.369 121.326 119.950 0.012 0.000 2.467 128 F HA 0.342 4.874 4.527 0.008 0.000 0.336 128 F C 0.201 175.975 175.800 -0.043 0.000 1.123 128 F CA -0.955 57.013 58.000 -0.052 0.000 0.964 128 F CB 1.597 40.509 39.000 -0.147 0.000 1.136 128 F HN 0.281 nan 8.300 nan 0.000 0.447 129 N N 1.854 120.651 118.700 0.162 0.000 2.491 129 N HA 0.110 4.855 4.740 0.008 0.000 0.274 129 N C 0.373 175.907 175.510 0.040 0.000 1.023 129 N CA -0.235 52.858 53.050 0.072 0.000 0.902 129 N CB 1.685 40.198 38.487 0.043 0.000 1.267 129 N HN 0.691 nan 8.380 nan 0.000 0.503 130 T N -0.172 114.407 114.554 0.041 0.000 3.081 130 T HA 0.040 4.395 4.350 0.008 0.000 0.255 130 T C 0.829 175.534 174.700 0.009 0.000 1.113 130 T CA 0.221 62.370 62.100 0.082 0.000 1.082 130 T CB -0.157 68.815 68.868 0.173 0.000 0.939 130 T HN 0.299 nan 8.240 nan 0.000 0.506 131 N N 2.428 121.109 118.700 -0.032 0.000 3.111 131 N HA 0.225 4.970 4.740 0.008 0.000 0.302 131 N C -0.319 175.129 175.510 -0.102 0.000 1.317 131 N CA -0.658 52.338 53.050 -0.089 0.000 1.151 131 N CB -0.862 37.571 38.487 -0.091 0.000 1.456 131 N HN 0.781 nan 8.380 nan 0.000 0.547 132 I N -3.949 116.572 120.570 -0.081 0.000 2.769 132 I HA 0.582 4.757 4.170 0.008 0.000 0.298 132 I C 0.789 176.863 176.117 -0.071 0.000 1.128 132 I CA -1.220 60.033 61.300 -0.078 0.000 1.031 132 I CB 1.643 39.610 38.000 -0.055 0.000 1.235 132 I HN -0.172 nan 8.210 nan 0.000 0.423 133 A N 3.220 126.000 122.820 -0.066 0.000 2.076 133 A HA -0.143 4.182 4.320 0.008 0.000 0.220 133 A C 1.999 179.569 177.584 -0.022 0.000 1.160 133 A CA 2.143 54.154 52.037 -0.043 0.000 0.653 133 A CB -0.864 18.136 19.000 -0.000 0.000 0.801 133 A HN 0.974 nan 8.150 nan 0.000 0.455 134 S N -1.831 113.867 115.700 -0.002 0.000 2.575 134 S HA 0.219 4.694 4.470 0.008 0.000 0.215 134 S C 1.108 175.744 174.600 0.059 0.000 0.966 134 S CA 0.707 58.924 58.200 0.029 0.000 0.911 134 S CB 0.276 63.503 63.200 0.046 0.000 0.780 134 S HN 0.214 nan 8.310 nan 0.000 0.514 135 V N 0.367 120.317 119.914 0.060 0.000 3.090 135 V HA 0.246 4.371 4.120 0.008 0.000 0.237 135 V C 0.596 176.799 176.094 0.181 0.000 1.209 135 V CA 0.721 63.105 62.300 0.140 0.000 1.209 135 V CB 0.216 32.126 31.823 0.144 0.000 0.971 135 V HN 0.432 nan 8.190 nan 0.000 0.477 136 T N 0.926 115.507 114.554 0.045 0.000 2.856 136 T HA 0.685 5.040 4.350 0.008 0.000 0.283 136 T C -1.068 173.576 174.700 -0.092 0.000 1.008 136 T CA -0.174 61.883 62.100 -0.071 0.000 0.997 136 T CB 2.580 71.343 68.868 -0.175 0.000 0.992 136 T HN 0.023 nan 8.240 nan 0.000 0.454 137 V N 3.235 123.082 119.914 -0.112 0.000 2.735 137 V HA 0.544 4.670 4.120 0.008 0.000 0.310 137 V C -1.164 174.860 176.094 -0.116 0.000 1.061 137 V CA -0.939 61.297 62.300 -0.107 0.000 0.913 137 V CB 2.168 33.912 31.823 -0.132 0.000 1.005 137 V HN 0.819 nan 8.190 nan 0.000 0.428 138 N N 4.333 123.004 118.700 -0.048 0.000 2.509 138 N HA 0.487 5.232 4.740 0.008 0.000 0.287 138 N C -0.921 174.598 175.510 0.015 0.000 1.121 138 N CA -0.427 52.623 53.050 -0.000 0.000 0.977 138 N CB 1.525 40.087 38.487 0.125 0.000 1.167 138 N HN 0.756 nan 8.380 nan 0.000 0.476 139 K N -0.104 120.298 120.400 0.003 0.000 2.324 139 K HA 0.504 4.830 4.320 0.008 0.000 0.253 139 K C -1.055 175.549 176.600 0.007 0.000 0.932 139 K CA -0.909 55.372 56.287 -0.009 0.000 0.799 139 K CB 1.716 34.144 32.500 -0.120 0.000 1.154 139 K HN 0.226 nan 8.250 nan 0.000 0.425 140 L N 4.048 125.234 121.223 -0.061 0.000 2.281 140 L HA 0.220 4.565 4.340 0.008 0.000 0.285 140 L C 0.053 176.812 176.870 -0.186 0.000 1.074 140 L CA -0.176 54.516 54.840 -0.247 0.000 0.817 140 L CB 0.613 42.225 42.059 -0.745 0.000 1.168 140 L HN 0.862 nan 8.230 nan 0.000 0.434 141 I N 2.112 122.601 120.570 -0.135 0.000 2.628 141 I HA 0.047 4.222 4.170 0.008 0.000 0.255 141 I C 1.292 177.343 176.117 -0.110 0.000 1.119 141 I CA 0.819 62.056 61.300 -0.104 0.000 1.448 141 I CB -0.510 37.448 38.000 -0.070 0.000 1.133 141 I HN 0.771 nan 8.210 nan 0.000 0.438 142 S N 2.183 117.814 115.700 -0.114 0.000 2.537 142 S HA -0.055 4.420 4.470 0.008 0.000 0.280 142 S C 0.322 174.855 174.600 -0.112 0.000 1.335 142 S CA -0.477 57.661 58.200 -0.102 0.000 1.025 142 S CB -0.373 62.766 63.200 -0.102 0.000 0.836 142 S HN 0.299 nan 8.310 nan 0.000 0.523 143 N N 1.971 120.620 118.700 -0.086 0.000 2.374 143 N HA 0.159 4.904 4.740 0.008 0.000 0.241 143 N C -2.681 172.774 175.510 -0.092 0.000 1.262 143 N CA -0.906 52.096 53.050 -0.080 0.000 0.880 143 N CB -0.721 37.731 38.487 -0.059 0.000 1.105 143 N HN 0.426 nan 8.380 nan 0.000 0.438 144 P HA 0.041 nan 4.420 nan 0.000 0.262 144 P C 0.672 177.929 177.300 -0.071 0.000 1.182 144 P CA 0.831 63.880 63.100 -0.086 0.000 0.761 144 P CB 0.216 31.875 31.700 -0.069 0.000 0.795 145 G N 1.915 110.670 108.800 -0.075 0.000 2.141 145 G HA2 -0.121 3.844 3.960 0.008 0.000 0.195 145 G HA3 -0.121 3.844 3.960 0.008 0.000 0.195 145 G C -0.485 174.381 174.900 -0.057 0.000 1.012 145 G CA -0.043 45.023 45.100 -0.056 0.000 0.696 145 G HN 0.710 nan 8.290 nan 0.000 0.508 146 E N -2.101 118.051 120.200 -0.079 0.000 2.830 146 E HA 0.325 4.680 4.350 0.008 0.000 0.333 146 E C 0.112 176.648 176.600 -0.106 0.000 0.974 146 E CA -0.543 55.813 56.400 -0.073 0.000 0.819 146 E CB 0.617 30.283 29.700 -0.058 0.000 1.293 146 E HN 1.006 nan 8.360 nan 0.000 0.419 147 V N 0.680 120.543 119.914 -0.084 0.000 3.451 147 V HA -0.011 4.114 4.120 0.008 0.000 0.332 147 V C 1.583 177.641 176.094 -0.061 0.000 1.198 147 V CA 1.061 63.303 62.300 -0.096 0.000 1.317 147 V CB -0.688 31.131 31.823 -0.006 0.000 1.117 147 V HN 0.877 nan 8.190 nan 0.000 0.421 148 E N 2.006 122.167 120.200 -0.066 0.000 2.086 148 E HA -0.215 4.140 4.350 0.008 0.000 0.200 148 E C 0.845 177.422 176.600 -0.039 0.000 1.012 148 E CA 1.285 57.658 56.400 -0.045 0.000 0.812 148 E CB 0.168 29.839 29.700 -0.048 0.000 0.743 148 E HN 0.769 nan 8.360 nan 0.000 0.453 149 R N 0.130 120.596 120.500 -0.056 0.000 2.574 149 R HA 0.367 4.712 4.340 0.008 0.000 0.288 149 R C -1.200 175.071 176.300 -0.048 0.000 1.004 149 R CA -0.747 55.328 56.100 -0.042 0.000 0.895 149 R CB 1.996 32.270 30.300 -0.043 0.000 1.191 149 R HN 0.013 nan 8.270 nan 0.000 0.444 150 K N 1.884 122.275 120.400 -0.015 0.000 2.371 150 K HA 0.571 4.896 4.320 0.008 0.000 0.251 150 K C -1.144 175.451 176.600 -0.009 0.000 0.934 150 K CA -1.165 55.123 56.287 0.003 0.000 0.798 150 K CB 2.771 35.316 32.500 0.075 0.000 1.204 150 K HN 0.185 nan 8.250 nan 0.000 0.427 151 K N 0.644 121.030 120.400 -0.023 0.000 2.316 151 K HA 0.454 4.779 4.320 0.008 0.000 0.251 151 K C -0.638 175.919 176.600 -0.073 0.000 0.934 151 K CA -0.417 55.841 56.287 -0.048 0.000 0.802 151 K CB 2.018 34.488 32.500 -0.050 0.000 1.171 151 K HN 0.835 nan 8.250 nan 0.000 0.426 152 G N 2.867 111.597 108.800 -0.116 0.000 2.451 152 G HA2 0.651 4.617 3.960 0.008 0.000 0.303 152 G HA3 0.651 4.617 3.960 0.008 0.000 0.303 152 G C -0.702 174.053 174.900 -0.242 0.000 1.166 152 G CA -0.668 44.323 45.100 -0.182 0.000 0.884 152 G HN 0.727 nan 8.290 nan 0.000 0.514 153 I N -2.283 118.122 120.570 -0.275 0.000 2.827 153 I HA 0.623 4.798 4.170 0.008 0.000 0.298 153 I C -1.353 174.617 176.117 -0.246 0.000 1.235 153 I CA -1.345 59.804 61.300 -0.251 0.000 1.021 153 I CB 2.194 40.158 38.000 -0.059 0.000 1.259 153 I HN 0.336 nan 8.210 nan 0.000 0.427 154 F N 3.251 123.239 119.950 0.064 0.000 2.384 154 F HA 0.809 5.341 4.527 0.008 0.000 0.338 154 F C 0.783 176.661 175.800 0.129 0.000 1.103 154 F CA -0.241 57.801 58.000 0.070 0.000 1.157 154 F CB 1.706 40.752 39.000 0.077 0.000 1.167 154 F HN 0.765 nan 8.300 nan 0.000 0.529 155 A N 2.352 125.362 122.820 0.317 0.000 2.587 155 A HA 0.588 4.913 4.320 0.008 0.000 0.293 155 A C -0.526 177.189 177.584 0.219 0.000 1.087 155 A CA -0.738 51.479 52.037 0.299 0.000 0.692 155 A CB 1.478 20.642 19.000 0.272 0.000 1.291 155 A HN 0.670 nan 8.150 nan 0.000 0.407 156 N N -0.980 117.841 118.700 0.201 0.000 2.564 156 N HA 0.297 5.042 4.740 0.008 0.000 0.202 156 N C -0.620 174.978 175.510 0.146 0.000 1.052 156 N CA 0.575 53.709 53.050 0.141 0.000 0.872 156 N CB 0.409 38.954 38.487 0.097 0.000 1.303 156 N HN 0.539 nan 8.380 nan 0.000 0.440 157 L N 0.714 122.045 121.223 0.180 0.000 2.455 157 L HA 0.591 4.936 4.340 0.008 0.000 0.264 157 L C -1.812 175.196 176.870 0.230 0.000 0.968 157 L CA -0.523 54.425 54.840 0.181 0.000 0.827 157 L CB 1.823 43.976 42.059 0.157 0.000 1.317 157 L HN -0.046 nan 8.230 nan 0.000 0.407 158 I N 6.075 126.766 120.570 0.202 0.000 2.439 158 I HA 0.433 4.608 4.170 0.008 0.000 0.285 158 I C -0.750 175.473 176.117 0.177 0.000 1.021 158 I CA -0.416 60.979 61.300 0.158 0.000 1.091 158 I CB 1.742 39.780 38.000 0.064 0.000 1.242 158 I HN 0.476 nan 8.210 nan 0.000 0.439 159 I N 6.204 126.867 120.570 0.155 0.000 2.312 159 I HA 0.366 4.542 4.170 0.008 0.000 0.290 159 I C -0.468 175.798 176.117 0.249 0.000 1.008 159 I CA -0.273 61.193 61.300 0.277 0.000 1.226 159 I CB 0.782 38.964 38.000 0.304 0.000 1.371 159 I HN 0.341 nan 8.210 nan 0.000 0.468 160 F N 3.141 123.331 119.950 0.400 0.000 2.461 160 F HA 0.636 5.168 4.527 0.008 0.000 0.332 160 F C 1.265 177.300 175.800 0.392 0.000 1.073 160 F CA -0.281 57.950 58.000 0.384 0.000 1.017 160 F CB 0.734 40.029 39.000 0.492 0.000 1.301 160 F HN 0.378 nan 8.300 nan 0.000 0.492 161 G N 0.091 109.124 108.800 0.388 0.000 2.588 161 G HA2 0.426 4.391 3.960 0.008 0.000 0.278 161 G HA3 0.426 4.391 3.960 0.008 0.000 0.278 161 G C -2.661 172.455 174.900 0.360 0.000 1.307 161 G CA -1.265 43.949 45.100 0.191 0.000 1.016 161 G HN 0.345 nan 8.290 nan 0.000 0.503 162 P HA 0.181 nan 4.420 nan 0.000 0.272 162 P C 0.522 177.897 177.300 0.126 0.000 1.230 162 P CA 0.052 63.241 63.100 0.148 0.000 0.788 162 P CB 1.028 32.738 31.700 0.017 0.000 0.949 163 G N 0.840 109.581 108.800 -0.098 0.000 2.531 163 G HA2 0.238 4.203 3.960 0.008 0.000 0.253 163 G HA3 0.238 4.203 3.960 0.008 0.000 0.253 163 G C -1.672 172.873 174.900 -0.591 0.000 1.439 163 G CA -0.990 43.897 45.100 -0.356 0.000 1.056 163 G HN 0.241 nan 8.290 nan 0.000 0.555 164 P HA -0.056 nan 4.420 nan 0.000 0.216 164 P C 0.457 177.310 177.300 -0.745 0.000 1.153 164 P CA 0.771 63.172 63.100 -1.165 0.000 0.858 164 P CB 0.059 31.169 31.700 -0.984 0.000 0.789 165 V N 1.071 120.528 119.914 -0.760 0.000 2.353 165 V HA 0.060 4.185 4.120 0.008 0.000 0.264 165 V C 1.776 177.604 176.094 -0.443 0.000 1.049 165 V CA -0.028 61.850 62.300 -0.704 0.000 0.896 165 V CB 0.371 31.870 31.823 -0.540 0.000 1.025 165 V HN 0.021 nan 8.190 nan 0.000 0.475 166 L N 3.818 124.797 121.223 -0.406 0.000 2.013 166 L HA -0.172 4.173 4.340 0.008 0.000 0.212 166 L C 2.225 178.964 176.870 -0.220 0.000 1.073 166 L CA 1.786 56.424 54.840 -0.336 0.000 0.753 166 L CB -0.415 41.352 42.059 -0.487 0.000 0.890 166 L HN 0.901 nan 8.230 nan 0.000 0.432 167 N N 0.002 118.613 118.700 -0.149 0.000 2.449 167 N HA -0.103 4.643 4.740 0.008 0.000 0.191 167 N C 0.198 175.650 175.510 -0.097 0.000 1.161 167 N CA 0.287 53.285 53.050 -0.087 0.000 0.863 167 N CB -0.082 38.393 38.487 -0.020 0.000 0.980 167 N HN 0.426 nan 8.380 nan 0.000 0.458 168 E N 1.227 121.342 120.200 -0.141 0.000 2.206 168 E HA 0.177 4.532 4.350 0.008 0.000 0.244 168 E C -0.662 175.880 176.600 -0.096 0.000 1.055 168 E CA -0.539 55.787 56.400 -0.123 0.000 0.970 168 E CB 0.163 29.761 29.700 -0.171 0.000 1.256 168 E HN 0.240 nan 8.360 nan 0.000 0.456 169 N N 2.635 121.319 118.700 -0.027 0.000 2.479 169 N HA 0.076 4.821 4.740 0.008 0.000 0.257 169 N C -0.192 175.356 175.510 0.063 0.000 1.232 169 N CA 0.589 53.680 53.050 0.068 0.000 0.920 169 N CB 1.127 39.731 38.487 0.195 0.000 1.105 169 N HN 0.468 nan 8.380 nan 0.000 0.444 170 E N -0.032 120.210 120.200 0.069 0.000 2.375 170 E HA 0.254 4.609 4.350 0.008 0.000 0.280 170 E C -1.537 175.091 176.600 0.046 0.000 0.972 170 E CA -0.496 55.920 56.400 0.026 0.000 0.782 170 E CB 1.573 31.236 29.700 -0.062 0.000 1.229 170 E HN 0.323 nan 8.360 nan 0.000 0.439 171 T N 3.046 117.619 114.554 0.032 0.000 2.797 171 T HA 0.568 4.923 4.350 0.008 0.000 0.279 171 T C -0.609 174.117 174.700 0.042 0.000 0.991 171 T CA -0.366 61.770 62.100 0.060 0.000 0.979 171 T CB 0.376 69.296 68.868 0.086 0.000 0.943 171 T HN 0.262 nan 8.240 nan 0.000 0.444 172 I N 4.042 124.674 120.570 0.103 0.000 2.465 172 I HA 0.373 4.548 4.170 0.008 0.000 0.291 172 I C -0.127 176.106 176.117 0.193 0.000 1.014 172 I CA -0.840 60.561 61.300 0.167 0.000 1.093 172 I CB 1.885 40.056 38.000 0.286 0.000 1.267 172 I HN 0.596 nan 8.210 nan 0.000 0.431 173 D N 5.833 126.364 120.400 0.217 0.000 2.326 173 D HA 0.481 5.126 4.640 0.008 0.000 0.251 173 D C -0.408 176.141 176.300 0.415 0.000 1.023 173 D CA -0.457 53.698 54.000 0.259 0.000 0.966 173 D CB 1.674 42.608 40.800 0.223 0.000 1.156 173 D HN 0.276 nan 8.370 nan 0.000 0.494 174 I N 0.235 121.017 120.570 0.353 0.000 2.315 174 I HA 0.395 4.570 4.170 0.008 0.000 0.291 174 I C 0.739 176.998 176.117 0.237 0.000 1.006 174 I CA -0.575 60.920 61.300 0.324 0.000 1.265 174 I CB 1.533 39.612 38.000 0.131 0.000 1.387 174 I HN 0.418 nan 8.210 nan 0.000 0.475 175 G N 7.358 116.170 108.800 0.019 0.000 2.379 175 G HA2 0.757 4.722 3.960 0.008 0.000 0.327 175 G HA3 0.757 4.722 3.960 0.008 0.000 0.327 175 G C -0.774 173.936 174.900 -0.318 0.000 1.145 175 G CA -0.404 44.282 45.100 -0.689 0.000 0.905 175 G HN 0.497 nan 8.290 nan 0.000 0.466 176 I N 1.054 121.454 120.570 -0.283 0.000 2.499 176 I HA 0.249 4.424 4.170 0.008 0.000 0.288 176 I C 0.141 176.182 176.117 -0.126 0.000 1.048 176 I CA -0.489 60.725 61.300 -0.142 0.000 1.062 176 I CB 2.174 40.127 38.000 -0.078 0.000 1.238 176 I HN 0.642 nan 8.210 nan 0.000 0.426 177 Q N 4.956 124.696 119.800 -0.099 0.000 2.451 177 Q HA -0.266 4.079 4.340 0.008 0.000 0.305 177 Q C 0.227 176.179 176.000 -0.079 0.000 1.345 177 Q CA 0.933 56.702 55.803 -0.057 0.000 0.854 177 Q CB -1.220 27.516 28.738 -0.003 0.000 1.162 177 Q HN 0.929 nan 8.270 nan 0.000 0.440 178 N N -1.887 116.689 118.700 -0.207 0.000 2.900 178 N HA -0.208 4.537 4.740 0.008 0.000 0.240 178 N C -0.561 174.627 175.510 -0.537 0.000 0.953 178 N CA 0.917 53.774 53.050 -0.323 0.000 0.950 178 N CB -0.502 37.825 38.487 -0.267 0.000 1.102 178 N HN 0.496 nan 8.380 nan 0.000 0.593 179 H N -0.701 118.211 119.070 -0.264 0.000 2.690 179 H HA 0.392 4.953 4.556 0.009 0.000 0.368 179 H C -0.932 174.204 175.328 -0.320 0.000 1.150 179 H CA -0.259 55.694 56.048 -0.159 0.000 1.174 179 H CB 0.883 30.619 29.762 -0.042 0.000 1.684 179 H HN -0.073 nan 8.280 nan 0.000 0.538 180 F N 0.570 120.631 119.950 0.185 0.000 2.402 180 F HA 0.308 4.840 4.527 0.009 0.000 0.355 180 F C 1.292 177.202 175.800 0.184 0.000 1.123 180 F CA -0.585 57.506 58.000 0.152 0.000 1.021 180 F CB 1.546 40.624 39.000 0.131 0.000 1.160 180 F HN 0.688 nan 8.300 nan 0.000 0.451 181 A N 1.723 124.712 122.820 0.281 0.000 1.940 181 A HA -0.183 4.142 4.320 0.008 0.000 0.219 181 A C 2.208 180.025 177.584 0.388 0.000 1.176 181 A CA 2.041 54.256 52.037 0.296 0.000 0.631 181 A CB -0.854 18.237 19.000 0.150 0.000 0.814 181 A HN 0.724 nan 8.150 nan 0.000 0.446 182 S N -0.763 115.139 115.700 0.337 0.000 2.595 182 S HA -0.031 4.444 4.470 0.008 0.000 0.235 182 S C 1.380 176.142 174.600 0.270 0.000 0.974 182 S CA 0.876 59.251 58.200 0.290 0.000 0.942 182 S CB -0.241 63.109 63.200 0.251 0.000 0.766 182 S HN 0.658 nan 8.310 nan 0.000 0.536 183 R N 0.440 121.119 120.500 0.298 0.000 2.476 183 R HA 0.287 4.632 4.340 0.008 0.000 0.276 183 R C 0.136 176.581 176.300 0.243 0.000 0.941 183 R CA 0.101 56.342 56.100 0.235 0.000 1.088 183 R CB 0.348 30.769 30.300 0.203 0.000 1.216 183 R HN 0.512 nan 8.270 nan 0.000 0.533 184 E N 0.013 120.390 120.200 0.295 0.000 2.995 184 E HA 0.204 4.559 4.350 0.008 0.000 0.203 184 E C 0.423 177.050 176.600 0.045 0.000 0.980 184 E CA 0.112 56.655 56.400 0.240 0.000 1.172 184 E CB 1.483 31.403 29.700 0.367 0.000 1.088 184 E HN 0.358 nan 8.360 nan 0.000 0.463 185 G N 0.859 109.725 108.800 0.110 0.000 2.284 185 G HA2 -0.374 3.591 3.960 0.008 0.000 0.247 185 G HA3 -0.374 3.591 3.960 0.008 0.000 0.247 185 G C 0.720 175.523 174.900 -0.161 0.000 1.012 185 G CA 0.416 45.511 45.100 -0.008 0.000 0.618 185 G HN 0.327 nan 8.290 nan 0.000 0.521 186 F N 1.289 121.272 119.950 0.056 0.000 2.149 186 F HA 0.408 4.940 4.527 0.008 0.000 0.294 186 F C 2.100 177.976 175.800 0.126 0.000 1.095 186 F CA 1.913 59.941 58.000 0.047 0.000 1.276 186 F CB -0.526 38.499 39.000 0.043 0.000 1.023 186 F HN 1.143 nan 8.300 nan 0.000 0.480 187 G N -0.559 108.452 108.800 0.352 0.000 2.746 187 G HA2 0.346 4.312 3.960 0.008 0.000 0.685 187 G HA3 0.346 4.312 3.960 0.008 0.000 0.685 187 G C -0.437 174.598 174.900 0.226 0.000 1.350 187 G CA -0.732 44.513 45.100 0.242 0.000 0.837 187 G HN 0.918 nan 8.290 nan 0.000 0.564 188 G N -1.330 107.576 108.800 0.177 0.000 2.576 188 G HA2 0.656 4.621 3.960 0.008 0.000 0.290 188 G HA3 0.656 4.621 3.960 0.008 0.000 0.290 188 G C -0.268 174.707 174.900 0.126 0.000 1.442 188 G CA -0.421 44.769 45.100 0.149 0.000 0.792 188 G HN 1.238 nan 8.290 nan 0.000 0.491 189 I N 1.619 122.251 120.570 0.103 0.000 2.906 189 I HA -0.037 4.138 4.170 0.008 0.000 0.301 189 I C 0.425 176.593 176.117 0.085 0.000 1.221 189 I CA 0.555 61.908 61.300 0.089 0.000 1.435 189 I CB 0.309 38.339 38.000 0.050 0.000 1.345 189 I HN 0.152 nan 8.210 nan 0.000 0.558 190 M N 6.668 126.331 119.600 0.106 0.000 2.472 190 M HA 0.443 4.928 4.480 0.008 0.000 0.331 190 M C -0.415 175.965 176.300 0.133 0.000 1.170 190 M CA -0.433 54.938 55.300 0.117 0.000 1.009 190 M CB 1.662 34.336 32.600 0.124 0.000 1.672 190 M HN 0.520 nan 8.290 nan 0.000 0.453 191 Q N 1.790 121.680 119.800 0.151 0.000 2.413 191 Q HA 0.805 5.150 4.340 0.008 0.000 0.276 191 Q C -1.165 174.978 176.000 0.240 0.000 1.099 191 Q CA -0.676 55.273 55.803 0.243 0.000 0.814 191 Q CB 3.893 32.786 28.738 0.258 0.000 1.379 191 Q HN 0.700 nan 8.270 nan 0.000 0.436 192 M N 1.632 121.428 119.600 0.327 0.000 2.484 192 M HA 0.419 4.904 4.480 0.008 0.000 0.289 192 M C -2.073 174.421 176.300 0.325 0.000 1.206 192 M CA -0.715 54.737 55.300 0.254 0.000 0.892 192 M CB 2.405 35.150 32.600 0.243 0.000 1.712 192 M HN 0.593 nan 8.290 nan 0.000 0.462 193 K N 2.777 123.280 120.400 0.173 0.000 2.339 193 K HA 0.642 4.967 4.320 0.008 0.000 0.264 193 K C -1.835 174.967 176.600 0.336 0.000 0.986 193 K CA -0.527 55.877 56.287 0.196 0.000 0.866 193 K CB 1.815 34.234 32.500 -0.134 0.000 1.103 193 K HN 0.499 nan 8.250 nan 0.000 0.441 194 F N 2.542 122.664 119.950 0.287 0.000 2.578 194 F HA 0.520 5.052 4.527 0.008 0.000 0.311 194 F C -1.626 174.405 175.800 0.385 0.000 1.094 194 F CA -1.039 57.129 58.000 0.281 0.000 0.923 194 F CB 1.940 41.110 39.000 0.284 0.000 1.230 194 F HN 0.808 nan 8.300 nan 0.000 0.450 195 C N 9.062 128.006 119.300 -0.594 0.000 2.383 195 C HA 0.528 4.993 4.460 0.008 0.000 0.330 195 C C -1.698 172.858 174.990 -0.724 0.000 1.168 195 C CA -1.586 57.245 59.018 -0.312 0.000 1.374 195 C CB 1.105 28.730 27.740 -0.191 0.000 2.014 195 C HN 0.750 nan 8.230 nan 0.000 0.439 196 P HA -0.001 nan 4.420 nan 0.000 0.224 196 P C 0.797 178.028 177.300 -0.116 0.000 1.157 196 P CA 1.412 64.375 63.100 -0.228 0.000 0.799 196 P CB 0.618 32.332 31.700 0.024 0.000 0.809 197 E N -0.747 119.420 120.200 -0.055 0.000 2.122 197 E HA -0.041 4.314 4.350 0.008 0.000 0.190 197 E C 0.137 176.519 176.600 -0.363 0.000 0.977 197 E CA 0.791 57.080 56.400 -0.185 0.000 0.820 197 E CB -0.599 28.976 29.700 -0.209 0.000 0.770 197 E HN 0.352 nan 8.360 nan 0.000 0.462 198 Y N 0.954 121.150 120.300 -0.172 0.000 2.676 198 Y HA 0.251 4.806 4.550 0.008 0.000 0.338 198 Y C 0.137 175.946 175.900 -0.152 0.000 1.057 198 Y CA -1.140 56.849 58.100 -0.185 0.000 1.314 198 Y CB 0.300 38.631 38.460 -0.216 0.000 1.164 198 Y HN -0.198 nan 8.280 nan 0.000 0.509 199 V N -0.053 119.836 119.914 -0.041 0.000 2.834 199 V HA 0.731 4.856 4.120 0.008 0.000 0.313 199 V C 0.280 176.389 176.094 0.026 0.000 1.060 199 V CA -1.111 61.194 62.300 0.008 0.000 0.989 199 V CB 1.562 33.424 31.823 0.065 0.000 1.041 199 V HN 0.632 nan 8.190 nan 0.000 0.459 200 S N 1.917 117.656 115.700 0.066 0.000 2.593 200 S HA 0.628 5.103 4.470 0.008 0.000 0.269 200 S C -0.217 174.457 174.600 0.124 0.000 1.334 200 S CA -0.496 57.753 58.200 0.082 0.000 1.015 200 S CB 1.196 64.449 63.200 0.089 0.000 0.912 200 S HN 1.131 nan 8.310 nan 0.000 0.541 201 V N 2.673 122.642 119.914 0.092 0.000 2.735 201 V HA 0.783 4.908 4.120 0.008 0.000 0.310 201 V C -0.661 175.491 176.094 0.097 0.000 1.061 201 V CA -0.776 61.532 62.300 0.013 0.000 0.913 201 V CB 1.155 32.938 31.823 -0.066 0.000 1.005 201 V HN 0.944 nan 8.190 nan 0.000 0.428 202 F N 1.929 121.892 119.950 0.021 0.000 2.662 202 F HA 0.875 5.406 4.527 0.008 0.000 0.312 202 F C -0.921 174.914 175.800 0.059 0.000 1.113 202 F CA -1.315 56.696 58.000 0.017 0.000 0.951 202 F CB 1.956 40.950 39.000 -0.010 0.000 1.344 202 F HN 0.526 nan 8.300 nan 0.000 0.462 203 N N -0.704 118.103 118.700 0.179 0.000 2.397 203 N HA 0.463 5.208 4.740 0.008 0.000 0.291 203 N C -1.335 174.269 175.510 0.157 0.000 1.065 203 N CA -0.507 52.613 53.050 0.116 0.000 0.884 203 N CB 1.082 39.581 38.487 0.020 0.000 1.551 203 N HN 1.096 nan 8.380 nan 0.000 0.487 204 N N 0.575 119.360 118.700 0.142 0.000 2.454 204 N HA 0.400 5.145 4.740 0.008 0.000 0.260 204 N C 1.665 177.208 175.510 0.054 0.000 1.218 204 N CA -0.071 53.041 53.050 0.103 0.000 0.904 204 N CB 0.144 38.670 38.487 0.066 0.000 1.065 204 N HN 0.857 nan 8.380 nan 0.000 0.462 205 V N 0.765 120.733 119.914 0.090 0.000 2.261 205 V HA -0.177 3.948 4.120 0.008 0.000 0.246 205 V C 2.657 178.761 176.094 0.017 0.000 1.047 205 V CA 3.369 65.702 62.300 0.055 0.000 1.015 205 V CB -1.494 30.447 31.823 0.197 0.000 0.642 205 V HN 1.033 nan 8.190 nan 0.000 0.446 206 Q N 0.153 119.989 119.800 0.060 0.000 2.062 206 Q HA 0.206 4.551 4.340 0.008 0.000 0.196 206 Q C 1.643 177.676 176.000 0.055 0.000 0.967 206 Q CA 1.737 57.578 55.803 0.062 0.000 0.832 206 Q CB -1.087 27.697 28.738 0.077 0.000 0.899 206 Q HN 1.297 nan 8.270 nan 0.000 0.442 207 E N 0.198 120.433 120.200 0.059 0.000 2.373 207 E HA 0.491 4.846 4.350 0.008 0.000 0.267 207 E C -0.149 176.494 176.600 0.072 0.000 1.032 207 E CA 0.024 56.468 56.400 0.073 0.000 0.889 207 E CB -0.383 29.363 29.700 0.078 0.000 0.984 207 E HN 1.065 nan 8.360 nan 0.000 0.425 208 N N 0.674 119.432 118.700 0.095 0.000 2.437 208 N HA 0.564 5.309 4.740 0.008 0.000 0.259 208 N C 0.314 175.906 175.510 0.136 0.000 0.983 208 N CA -0.119 52.989 53.050 0.096 0.000 0.937 208 N CB 0.968 39.521 38.487 0.110 0.000 1.122 208 N HN 0.979 nan 8.380 nan 0.000 0.499 209 K N 0.752 121.230 120.400 0.131 0.000 2.062 209 K HA 0.496 4.821 4.320 0.008 0.000 0.251 209 K C 1.608 178.224 176.600 0.026 0.000 1.113 209 K CA 0.198 56.540 56.287 0.091 0.000 1.096 209 K CB -1.241 31.232 32.500 -0.046 0.000 1.099 209 K HN 2.296 nan 8.250 nan 0.000 0.350 210 G N 0.528 109.366 108.800 0.062 0.000 2.186 210 G HA2 0.085 4.050 3.960 0.008 0.000 0.266 210 G HA3 0.085 4.050 3.960 0.008 0.000 0.266 210 G C 0.841 175.786 174.900 0.075 0.000 0.982 210 G CA 1.033 46.165 45.100 0.052 0.000 0.670 210 G HN 2.501 nan 8.290 nan 0.000 0.533 211 A N -2.411 120.465 122.820 0.094 0.000 2.136 211 A HA 0.414 4.739 4.320 0.008 0.000 0.274 211 A C 0.876 178.537 177.584 0.129 0.000 1.388 211 A CA 2.177 54.285 52.037 0.117 0.000 0.741 211 A CB -1.530 17.538 19.000 0.112 0.000 1.173 211 A HN 2.663 nan 8.150 nan 0.000 0.329 212 S N -0.740 115.041 115.700 0.134 0.000 2.461 212 S HA 0.770 5.245 4.470 0.008 0.000 0.216 212 S C 0.950 175.636 174.600 0.142 0.000 1.201 212 S CA 0.276 58.578 58.200 0.170 0.000 1.171 212 S CB -0.019 63.266 63.200 0.141 0.000 1.169 212 S HN 2.098 nan 8.310 nan 0.000 0.456 213 I N 0.281 120.896 120.570 0.076 0.000 2.916 213 I HA 0.244 4.419 4.170 0.008 0.000 0.267 213 I C 1.469 177.369 176.117 -0.362 0.000 1.263 213 I CA 1.330 62.522 61.300 -0.180 0.000 1.471 213 I CB -1.505 36.257 38.000 -0.397 0.000 1.089 213 I HN 0.730 nan 8.210 nan 0.000 0.468 214 F N -0.263 119.709 119.950 0.036 0.000 2.714 214 F HA 0.267 4.800 4.527 0.009 0.000 0.294 214 F C 1.362 177.183 175.800 0.036 0.000 1.120 214 F CA -0.116 57.904 58.000 0.033 0.000 1.398 214 F CB -0.168 38.851 39.000 0.031 0.000 1.120 214 F HN 0.292 nan 8.300 nan 0.000 0.589 215 N N 0.677 119.492 118.700 0.192 0.000 2.530 215 N HA 0.289 5.034 4.740 0.008 0.000 0.283 215 N C -0.249 175.308 175.510 0.078 0.000 1.238 215 N CA -0.527 52.597 53.050 0.123 0.000 0.971 215 N CB 0.976 39.527 38.487 0.107 0.000 1.195 215 N HN -0.040 nan 8.380 nan 0.000 0.583 216 R N 0.505 121.044 120.500 0.066 0.000 2.537 216 R HA 0.145 4.490 4.340 0.008 0.000 0.280 216 R C 0.212 176.517 176.300 0.009 0.000 1.058 216 R CA -0.004 56.126 56.100 0.049 0.000 1.057 216 R CB 0.495 30.846 30.300 0.085 0.000 0.973 216 R HN 0.561 nan 8.270 nan 0.000 0.438 217 R N 0.524 121.020 120.500 -0.007 0.000 2.832 217 R HA 0.764 5.109 4.340 0.008 0.000 0.271 217 R C -0.267 175.972 176.300 -0.101 0.000 0.996 217 R CA -0.255 55.821 56.100 -0.039 0.000 0.977 217 R CB 1.615 31.929 30.300 0.023 0.000 1.168 217 R HN 0.722 nan 8.270 nan 0.000 0.482 218 G N -0.071 108.642 108.800 -0.145 0.000 2.566 218 G HA2 -0.072 3.893 3.960 0.008 0.000 0.599 218 G HA3 -0.072 3.893 3.960 0.008 0.000 0.599 218 G C -1.745 172.906 174.900 -0.415 0.000 1.292 218 G CA -0.594 44.408 45.100 -0.162 0.000 0.922 218 G HN 0.507 nan 8.290 nan 0.000 0.514 219 Y N -0.890 119.006 120.300 -0.673 0.000 2.553 219 Y HA 0.702 5.256 4.550 0.008 0.000 0.347 219 Y C 0.525 175.918 175.900 -0.845 0.000 1.019 219 Y CA -0.901 56.701 58.100 -0.831 0.000 1.032 219 Y CB 1.786 39.667 38.460 -0.966 0.000 1.284 219 Y HN 0.782 nan 8.280 nan 0.000 0.466 220 F N -1.308 118.401 119.950 -0.402 0.000 2.432 220 F HA 0.827 5.359 4.527 0.008 0.000 0.329 220 F C 0.103 175.882 175.800 -0.036 0.000 1.076 220 F CA -1.244 56.573 58.000 -0.305 0.000 1.018 220 F CB 0.689 39.416 39.000 -0.454 0.000 1.201 220 F HN 0.258 nan 8.300 nan 0.000 0.489 221 S N 0.511 116.414 115.700 0.338 0.000 2.592 221 S HA 0.065 4.540 4.470 0.008 0.000 0.271 221 S C -0.594 174.286 174.600 0.466 0.000 1.326 221 S CA -0.581 57.852 58.200 0.389 0.000 1.024 221 S CB 0.490 63.873 63.200 0.306 0.000 0.921 221 S HN 0.708 nan 8.310 nan 0.000 0.527 222 D N 2.424 123.088 120.400 0.439 0.000 2.316 222 D HA 0.170 4.815 4.640 0.008 0.000 0.245 222 D C -1.344 175.154 176.300 0.329 0.000 1.171 222 D CA -2.124 52.189 54.000 0.521 0.000 0.856 222 D CB 1.269 42.319 40.800 0.417 0.000 1.090 222 D HN 0.137 nan 8.370 nan 0.000 0.476 223 P HA -0.163 nan 4.420 nan 0.000 0.220 223 P C 0.966 178.421 177.300 0.259 0.000 1.144 223 P CA 0.778 64.018 63.100 0.234 0.000 0.800 223 P CB 0.272 32.042 31.700 0.117 0.000 0.772 224 A N -0.328 122.610 122.820 0.196 0.000 1.968 224 A HA -0.109 4.216 4.320 0.008 0.000 0.217 224 A C 2.177 179.749 177.584 -0.020 0.000 1.169 224 A CA 1.083 53.167 52.037 0.079 0.000 0.638 224 A CB -1.396 17.660 19.000 0.093 0.000 0.812 224 A HN 0.190 nan 8.150 nan 0.000 0.446 225 L N -0.144 121.098 121.223 0.031 0.000 2.109 225 L HA 0.026 4.371 4.340 0.008 0.000 0.207 225 L C 2.133 179.033 176.870 0.050 0.000 1.086 225 L CA 1.430 56.257 54.840 -0.022 0.000 0.760 225 L CB -0.370 41.694 42.059 0.007 0.000 0.910 225 L HN 0.407 nan 8.230 nan 0.000 0.437 226 I N -1.052 119.603 120.570 0.141 0.000 2.226 226 I HA -0.284 3.891 4.170 0.008 0.000 0.245 226 I C 2.329 178.591 176.117 0.242 0.000 1.100 226 I CA 1.089 62.520 61.300 0.218 0.000 1.374 226 I CB -0.418 37.759 38.000 0.294 0.000 1.057 226 I HN 0.319 nan 8.210 nan 0.000 0.413 227 L N 0.521 121.823 121.223 0.131 0.000 2.017 227 L HA -0.185 4.160 4.340 0.008 0.000 0.208 227 L C 2.405 179.156 176.870 -0.197 0.000 1.073 227 L CA 1.898 56.593 54.840 -0.241 0.000 0.745 227 L CB -0.517 41.245 42.059 -0.495 0.000 0.894 227 L HN 0.160 nan 8.230 nan 0.000 0.432 228 M N -1.679 117.816 119.600 -0.175 0.000 2.279 228 M HA -0.223 4.262 4.480 0.008 0.000 0.264 228 M C 2.242 178.456 176.300 -0.143 0.000 1.062 228 M CA 1.664 56.839 55.300 -0.209 0.000 1.099 228 M CB -0.576 31.877 32.600 -0.245 0.000 1.394 228 M HN 0.467 nan 8.290 nan 0.000 0.426 229 H N 0.672 119.670 119.070 -0.120 0.000 2.321 229 H HA -0.121 4.440 4.556 0.008 0.000 0.300 229 H C 1.924 177.191 175.328 -0.101 0.000 1.087 229 H CA 1.774 57.762 56.048 -0.100 0.000 1.319 229 H CB 0.269 30.034 29.762 0.005 0.000 1.379 229 H HN 0.191 nan 8.280 nan 0.000 0.501 230 E N 0.568 120.848 120.200 0.134 0.000 2.106 230 E HA -0.120 4.235 4.350 0.008 0.000 0.192 230 E C 2.516 179.103 176.600 -0.021 0.000 0.984 230 E CA 0.732 57.227 56.400 0.158 0.000 0.806 230 E CB -0.227 29.581 29.700 0.181 0.000 0.750 230 E HN 0.557 nan 8.360 nan 0.000 0.458 231 L N 0.498 121.638 121.223 -0.138 0.000 2.191 231 L HA -0.121 4.224 4.340 0.008 0.000 0.212 231 L C 2.423 179.125 176.870 -0.279 0.000 1.103 231 L CA 0.652 55.376 54.840 -0.194 0.000 0.769 231 L CB -0.339 41.560 42.059 -0.266 0.000 0.908 231 L HN 0.093 nan 8.230 nan 0.000 0.438 232 I N -1.220 119.117 120.570 -0.387 0.000 2.315 232 I HA -0.283 3.892 4.170 0.008 0.000 0.248 232 I C 2.578 178.286 176.117 -0.682 0.000 1.117 232 I CA 0.918 61.866 61.300 -0.586 0.000 1.404 232 I CB -0.496 37.134 38.000 -0.617 0.000 1.071 232 I HN 0.320 nan 8.210 nan 0.000 0.419 233 H N 0.236 119.087 119.070 -0.366 0.000 2.387 233 H HA -0.091 4.470 4.556 0.008 0.000 0.299 233 H C 2.494 177.757 175.328 -0.108 0.000 1.090 233 H CA 1.424 57.356 56.048 -0.194 0.000 1.332 233 H CB -0.284 29.440 29.762 -0.064 0.000 1.386 233 H HN 0.161 nan 8.280 nan 0.000 0.516 234 V N 1.293 121.218 119.914 0.018 0.000 2.295 234 V HA -0.237 3.888 4.120 0.008 0.000 0.246 234 V C 2.741 178.847 176.094 0.020 0.000 1.049 234 V CA 1.544 63.865 62.300 0.036 0.000 1.024 234 V CB -0.792 31.040 31.823 0.014 0.000 0.648 234 V HN 0.194 nan 8.190 nan 0.000 0.447 235 L N 0.132 121.292 121.223 -0.105 0.000 2.013 235 L HA -0.257 4.088 4.340 0.008 0.000 0.212 235 L C 2.388 179.318 176.870 0.100 0.000 1.073 235 L CA 2.272 57.065 54.840 -0.080 0.000 0.753 235 L CB -0.958 40.891 42.059 -0.350 0.000 0.890 235 L HN 0.472 nan 8.230 nan 0.000 0.432 236 H N -1.489 117.591 119.070 0.016 0.000 2.353 236 H HA -0.091 4.470 4.556 0.008 0.000 0.300 236 H C 2.052 177.468 175.328 0.146 0.000 1.090 236 H CA 0.665 56.747 56.048 0.057 0.000 1.327 236 H CB -0.328 29.451 29.762 0.029 0.000 1.383 236 H HN 0.551 nan 8.280 nan 0.000 0.508 237 G N 0.393 109.348 108.800 0.258 0.000 2.422 237 G HA2 -0.160 3.805 3.960 0.008 0.000 0.218 237 G HA3 -0.160 3.805 3.960 0.008 0.000 0.218 237 G C 1.604 176.632 174.900 0.212 0.000 1.140 237 G CA 0.337 45.568 45.100 0.217 0.000 0.775 237 G HN 0.229 nan 8.290 nan 0.000 0.545 238 L N -1.147 120.198 121.223 0.205 0.000 2.156 238 L HA 0.069 4.414 4.340 0.008 0.000 0.208 238 L C 2.026 178.931 176.870 0.058 0.000 1.095 238 L CA 0.590 55.508 54.840 0.130 0.000 0.770 238 L CB -0.146 41.971 42.059 0.096 0.000 0.914 238 L HN 0.169 nan 8.230 nan 0.000 0.439 239 Y N 0.182 120.539 120.300 0.095 0.000 2.471 239 Y HA 0.188 4.743 4.550 0.009 0.000 0.286 239 Y C 1.698 177.770 175.900 0.286 0.000 1.188 239 Y CA 0.184 58.356 58.100 0.120 0.000 1.286 239 Y CB -0.386 38.146 38.460 0.119 0.000 1.072 239 Y HN 0.236 nan 8.280 nan 0.000 0.517 240 G N 1.743 110.746 108.800 0.338 0.000 2.283 240 G HA2 -0.315 3.650 3.960 0.008 0.000 0.280 240 G HA3 -0.315 3.650 3.960 0.008 0.000 0.280 240 G C 0.722 175.822 174.900 0.333 0.000 1.029 240 G CA 0.824 46.119 45.100 0.326 0.000 0.840 240 G HN 0.693 nan 8.290 nan 0.000 0.505 241 I N -3.040 117.710 120.570 0.299 0.000 3.927 241 I HA 0.485 4.660 4.170 0.008 0.000 0.332 241 I C 1.061 177.234 176.117 0.094 0.000 1.485 241 I CA -0.206 61.209 61.300 0.192 0.000 1.131 241 I CB 0.486 38.559 38.000 0.121 0.000 1.092 241 I HN 0.060 nan 8.210 nan 0.000 0.410 242 K N 3.328 123.808 120.400 0.133 0.000 3.277 242 K HA 0.186 4.511 4.320 0.008 0.000 0.280 242 K C 0.332 176.964 176.600 0.054 0.000 1.182 242 K CA -0.246 56.094 56.287 0.089 0.000 1.219 242 K CB -0.188 32.386 32.500 0.123 0.000 1.373 242 K HN 0.475 nan 8.250 nan 0.000 0.392 243 V N -1.174 118.775 119.914 0.058 0.000 2.999 243 V HA 0.141 4.266 4.120 0.008 0.000 0.307 243 V C -0.076 176.026 176.094 0.014 0.000 1.084 243 V CA -0.475 61.859 62.300 0.056 0.000 1.155 243 V CB 0.992 32.861 31.823 0.077 0.000 0.975 243 V HN 0.202 nan 8.190 nan 0.000 0.490 244 D N 1.984 122.394 120.400 0.016 0.000 2.193 244 D HA 0.644 5.289 4.640 0.008 0.000 0.249 244 D C -0.283 176.020 176.300 0.005 0.000 1.034 244 D CA -0.056 53.938 54.000 -0.010 0.000 0.902 244 D CB 1.452 42.243 40.800 -0.014 0.000 1.182 244 D HN 0.913 nan 8.370 nan 0.000 0.436 245 D N 0.367 120.760 120.400 -0.012 0.000 2.946 245 D HA 0.135 4.780 4.640 0.008 0.000 0.337 245 D C -1.141 175.149 176.300 -0.017 0.000 1.332 245 D CA -0.597 53.402 54.000 -0.001 0.000 0.935 245 D CB 1.079 41.886 40.800 0.011 0.000 1.440 245 D HN 0.167 nan 8.370 nan 0.000 0.540 246 L N 3.187 124.402 121.223 -0.012 0.000 2.615 246 L HA 0.230 4.575 4.340 0.008 0.000 0.271 246 L C -2.020 174.816 176.870 -0.056 0.000 1.183 246 L CA -0.100 54.722 54.840 -0.030 0.000 0.933 246 L CB 0.119 42.166 42.059 -0.019 0.000 1.199 246 L HN 0.143 nan 8.230 nan 0.000 0.487 247 P HA 0.238 nan 4.420 nan 0.000 0.285 247 P C -0.856 176.388 177.300 -0.093 0.000 1.269 247 P CA -0.728 62.329 63.100 -0.071 0.000 0.844 247 P CB 1.385 33.055 31.700 -0.050 0.000 1.094 248 I N 2.352 122.887 120.570 -0.058 0.000 2.396 248 I HA 0.115 4.290 4.170 0.008 0.000 0.289 248 I C 0.548 176.693 176.117 0.047 0.000 1.056 248 I CA -0.346 60.932 61.300 -0.036 0.000 1.365 248 I CB 0.570 38.638 38.000 0.114 0.000 1.407 248 I HN 0.142 nan 8.210 nan 0.000 0.509 249 V N 6.809 126.709 119.914 -0.024 0.000 2.540 249 V HA 0.644 4.769 4.120 0.008 0.000 0.302 249 V C -2.546 173.508 176.094 -0.066 0.000 1.035 249 V CA -2.127 60.170 62.300 -0.005 0.000 0.873 249 V CB 1.702 33.496 31.823 -0.047 0.000 0.992 249 V HN 0.503 nan 8.190 nan 0.000 0.428 250 P HA 0.174 nan 4.420 nan 0.000 0.278 250 P C -0.619 176.516 177.300 -0.275 0.000 1.238 250 P CA -0.189 62.674 63.100 -0.394 0.000 0.794 250 P CB 0.925 32.339 31.700 -0.476 0.000 0.955 251 N N 2.061 120.567 118.700 -0.323 0.000 2.520 251 N HA 0.018 4.763 4.740 0.008 0.000 0.273 251 N C 0.145 175.480 175.510 -0.291 0.000 1.155 251 N CA 0.338 53.226 53.050 -0.269 0.000 0.967 251 N CB 0.208 38.502 38.487 -0.322 0.000 1.092 251 N HN 0.355 nan 8.380 nan 0.000 0.457 252 E N 1.884 121.946 120.200 -0.231 0.000 2.758 252 E HA 0.110 4.465 4.350 0.008 0.000 0.215 252 E C 0.407 176.879 176.600 -0.212 0.000 0.985 252 E CA -0.086 56.189 56.400 -0.208 0.000 1.102 252 E CB 0.561 30.188 29.700 -0.122 0.000 1.042 252 E HN 0.564 nan 8.360 nan 0.000 0.480 253 K N 0.736 120.984 120.400 -0.254 0.000 2.288 253 K HA 0.020 4.345 4.320 0.008 0.000 0.201 253 K C 0.612 177.054 176.600 -0.263 0.000 1.048 253 K CA 0.768 56.931 56.287 -0.208 0.000 0.956 253 K CB 0.271 32.670 32.500 -0.168 0.000 0.746 253 K HN -0.112 nan 8.250 nan 0.000 0.461 254 K N 0.597 120.704 120.400 -0.490 0.000 2.208 254 K HA 0.120 4.445 4.320 0.008 0.000 0.247 254 K C 0.753 176.972 176.600 -0.636 0.000 0.953 254 K CA -0.502 55.382 56.287 -0.672 0.000 0.837 254 K CB 1.100 32.753 32.500 -1.412 0.000 1.131 254 K HN -0.056 nan 8.250 nan 0.000 0.431 255 F N 0.565 120.296 119.950 -0.364 0.000 2.408 255 F HA -0.100 4.429 4.527 0.004 0.000 0.300 255 F C 1.178 176.930 175.800 -0.081 0.000 1.090 255 F CA 0.601 58.502 58.000 -0.165 0.000 1.427 255 F CB -0.568 38.414 39.000 -0.029 0.000 1.070 255 F HN 0.431 nan 8.300 nan 0.000 0.549 256 F N -0.384 119.105 119.950 -0.769 0.000 2.765 256 F HA 0.446 4.984 4.527 0.019 0.000 0.302 256 F C 0.412 176.231 175.800 0.032 0.000 1.111 256 F CA -1.347 56.489 58.000 -0.274 0.000 1.359 256 F CB -1.190 37.628 39.000 -0.303 0.000 1.097 256 F HN -0.134 nan 8.300 nan 0.000 0.577 257 M N 2.040 121.477 119.600 -0.271 0.000 2.180 257 M HA 0.191 4.676 4.480 0.008 0.000 0.358 257 M C 0.130 176.418 176.300 -0.019 0.000 1.233 257 M CA -0.252 54.976 55.300 -0.120 0.000 1.114 257 M CB 1.314 33.679 32.600 -0.391 0.000 1.594 257 M HN 0.206 nan 8.290 nan 0.000 0.467 258 Q N 1.869 121.712 119.800 0.072 0.000 2.313 258 Q HA 0.189 4.534 4.340 0.008 0.000 0.266 258 Q C -1.034 175.001 176.000 0.060 0.000 0.989 258 Q CA 0.002 55.875 55.803 0.118 0.000 0.890 258 Q CB 0.856 29.739 28.738 0.242 0.000 1.200 258 Q HN 0.690 nan 8.270 nan 0.000 0.396 259 S N 2.914 118.677 115.700 0.106 0.000 2.462 259 S HA 0.565 5.040 4.470 0.008 0.000 0.294 259 S C -0.535 174.125 174.600 0.100 0.000 1.144 259 S CA -0.434 57.808 58.200 0.070 0.000 1.088 259 S CB 1.441 64.685 63.200 0.073 0.000 1.009 259 S HN 0.804 nan 8.310 nan 0.000 0.484 260 T N -0.352 114.264 114.554 0.104 0.000 2.787 260 T HA 0.477 4.832 4.350 0.008 0.000 0.297 260 T C -1.512 173.248 174.700 0.100 0.000 1.221 260 T CA -1.024 61.155 62.100 0.132 0.000 1.006 260 T CB 1.039 70.072 68.868 0.276 0.000 1.328 260 T HN 0.313 nan 8.240 nan 0.000 0.509 261 D N 0.765 121.221 120.400 0.092 0.000 2.329 261 D HA 0.518 5.163 4.640 0.008 0.000 0.246 261 D C 0.613 176.974 176.300 0.101 0.000 1.111 261 D CA -0.093 53.948 54.000 0.069 0.000 0.941 261 D CB 1.269 42.100 40.800 0.052 0.000 1.169 261 D HN 0.942 nan 8.370 nan 0.000 0.441 262 A N 1.337 124.193 122.820 0.061 0.000 2.520 262 A HA 0.233 4.558 4.320 0.008 0.000 0.235 262 A C 0.225 177.838 177.584 0.048 0.000 1.065 262 A CA 0.172 52.242 52.037 0.054 0.000 0.764 262 A CB -0.057 18.950 19.000 0.012 0.000 1.002 262 A HN 0.498 nan 8.150 nan 0.000 0.502 263 I N 2.345 122.940 120.570 0.042 0.000 2.382 263 I HA 0.182 4.357 4.170 0.008 0.000 0.286 263 I C -0.074 175.988 176.117 -0.091 0.000 1.002 263 I CA -0.528 60.745 61.300 -0.045 0.000 1.135 263 I CB 1.498 39.445 38.000 -0.089 0.000 1.288 263 I HN 0.585 nan 8.210 nan 0.000 0.448 264 Q N 3.439 123.171 119.800 -0.114 0.000 2.340 264 Q HA 0.276 4.621 4.340 0.008 0.000 0.249 264 Q C 1.100 176.985 176.000 -0.191 0.000 0.957 264 Q CA -0.025 55.702 55.803 -0.126 0.000 0.882 264 Q CB 1.620 30.295 28.738 -0.105 0.000 1.235 264 Q HN 0.858 nan 8.270 nan 0.000 0.439 265 A N 2.584 125.263 122.820 -0.235 0.000 1.917 265 A HA -0.245 4.080 4.320 0.008 0.000 0.219 265 A C 1.765 178.982 177.584 -0.612 0.000 1.182 265 A CA 1.904 53.682 52.037 -0.432 0.000 0.633 265 A CB -0.326 18.380 19.000 -0.491 0.000 0.819 265 A HN 0.837 nan 8.150 nan 0.000 0.448 266 E N 0.279 120.237 120.200 -0.402 0.000 2.130 266 E HA -0.249 4.106 4.350 0.008 0.000 0.196 266 E C 1.823 178.423 176.600 -0.001 0.000 0.998 266 E CA 1.789 58.065 56.400 -0.206 0.000 0.806 266 E CB -0.214 29.448 29.700 -0.064 0.000 0.738 266 E HN 0.799 nan 8.360 nan 0.000 0.459 267 E N 0.209 120.398 120.200 -0.018 0.000 2.072 267 E HA -0.127 4.228 4.350 0.008 0.000 0.191 267 E C 2.412 179.020 176.600 0.012 0.000 0.985 267 E CA 0.910 57.357 56.400 0.078 0.000 0.801 267 E CB -0.092 29.554 29.700 -0.091 0.000 0.750 267 E HN 0.295 nan 8.360 nan 0.000 0.452 268 L N 0.167 121.321 121.223 -0.115 0.000 2.093 268 L HA -0.161 4.184 4.340 0.008 0.000 0.208 268 L C 2.379 179.413 176.870 0.273 0.000 1.085 268 L CA 0.782 55.625 54.840 0.005 0.000 0.755 268 L CB -0.446 41.599 42.059 -0.023 0.000 0.904 268 L HN 0.171 nan 8.230 nan 0.000 0.435 269 Y N 0.583 120.949 120.300 0.111 0.000 2.145 269 Y HA -0.207 4.348 4.550 0.008 0.000 0.286 269 Y C 2.941 178.901 175.900 0.101 0.000 1.145 269 Y CA 1.163 59.342 58.100 0.131 0.000 1.148 269 Y CB -1.501 36.969 38.460 0.017 0.000 0.981 269 Y HN 0.150 nan 8.280 nan 0.000 0.507 270 T N 0.574 115.273 114.554 0.241 0.000 2.699 270 T HA -0.254 4.101 4.350 0.008 0.000 0.268 270 T C 1.749 176.466 174.700 0.029 0.000 1.036 270 T CA 1.726 63.829 62.100 0.005 0.000 1.147 270 T CB -0.726 67.943 68.868 -0.332 0.000 0.862 270 T HN 0.287 nan 8.240 nan 0.000 0.446 271 F N 1.282 121.286 119.950 0.091 0.000 2.163 271 F HA 0.274 4.806 4.527 0.009 0.000 0.297 271 F C 1.632 177.493 175.800 0.102 0.000 1.094 271 F CA 1.154 59.244 58.000 0.151 0.000 1.290 271 F CB -0.607 38.497 39.000 0.173 0.000 1.017 271 F HN 0.403 nan 8.300 nan 0.000 0.483 272 G N -0.291 108.628 108.800 0.198 0.000 2.584 272 G HA2 0.219 4.184 3.960 0.008 0.000 0.229 272 G HA3 0.219 4.184 3.960 0.008 0.000 0.229 272 G C 0.739 175.730 174.900 0.152 0.000 1.320 272 G CA 0.035 45.202 45.100 0.110 0.000 0.891 272 G HN 1.547 nan 8.290 nan 0.000 0.573 273 G N -1.102 107.732 108.800 0.057 0.000 2.561 273 G HA2 -0.071 3.894 3.960 0.008 0.000 0.289 273 G HA3 -0.071 3.894 3.960 0.008 0.000 0.289 273 G C 1.282 176.270 174.900 0.147 0.000 1.169 273 G CA 2.293 47.447 45.100 0.090 0.000 0.980 273 G HN 2.350 nan 8.290 nan 0.000 0.550 274 Q N -0.192 119.717 119.800 0.182 0.000 2.354 274 Q HA 0.151 4.497 4.340 0.008 0.000 0.203 274 Q C 1.673 177.793 176.000 0.200 0.000 0.933 274 Q CA 1.388 57.288 55.803 0.162 0.000 0.901 274 Q CB 0.029 28.841 28.738 0.124 0.000 1.007 274 Q HN 0.539 nan 8.270 nan 0.000 0.495 275 D N 2.252 122.814 120.400 0.270 0.000 2.133 275 D HA -0.135 4.510 4.640 0.008 0.000 0.195 275 D C -0.737 175.727 176.300 0.273 0.000 0.997 275 D CA 1.252 55.422 54.000 0.284 0.000 0.840 275 D CB -1.378 39.607 40.800 0.309 0.000 0.947 275 D HN 0.363 nan 8.370 nan 0.000 0.452 276 P HA -0.016 nan 4.420 nan 0.000 0.222 276 P C 1.184 178.653 177.300 0.282 0.000 1.147 276 P CA 1.027 64.344 63.100 0.363 0.000 0.790 276 P CB 0.066 31.953 31.700 0.311 0.000 0.780 277 S N -1.029 114.804 115.700 0.221 0.000 2.474 277 S HA -0.017 4.458 4.470 0.008 0.000 0.235 277 S C 1.627 176.353 174.600 0.209 0.000 0.997 277 S CA 0.721 59.046 58.200 0.209 0.000 0.949 277 S CB -0.874 62.444 63.200 0.196 0.000 0.766 277 S HN 0.200 nan 8.310 nan 0.000 0.517 278 I N 1.030 121.724 120.570 0.207 0.000 3.111 278 I HA 0.025 4.200 4.170 0.008 0.000 0.272 278 I C -0.210 176.048 176.117 0.235 0.000 1.268 278 I CA 0.438 61.861 61.300 0.205 0.000 1.467 278 I CB 0.126 38.227 38.000 0.169 0.000 1.087 278 I HN 0.159 nan 8.210 nan 0.000 0.467 279 I N 2.132 122.839 120.570 0.228 0.000 2.297 279 I HA 0.075 4.250 4.170 0.008 0.000 0.291 279 I C 0.987 177.245 176.117 0.234 0.000 1.033 279 I CA -0.191 61.237 61.300 0.214 0.000 1.253 279 I CB 0.441 38.575 38.000 0.223 0.000 1.396 279 I HN 0.106 nan 8.210 nan 0.000 0.476 280 T N 4.832 119.518 114.554 0.220 0.000 2.855 280 T HA 0.113 4.468 4.350 0.008 0.000 0.322 280 T C -1.726 173.074 174.700 0.167 0.000 1.088 280 T CA -0.855 61.354 62.100 0.182 0.000 1.104 280 T CB 0.531 69.500 68.868 0.168 0.000 0.996 280 T HN 0.328 nan 8.240 nan 0.000 0.549 281 P HA -0.059 nan 4.420 nan 0.000 0.218 281 P C 1.800 179.153 177.300 0.089 0.000 1.148 281 P CA 0.961 64.137 63.100 0.127 0.000 0.822 281 P CB -0.070 31.705 31.700 0.124 0.000 0.784 282 S N -1.116 114.628 115.700 0.073 0.000 2.348 282 S HA -0.141 4.334 4.470 0.008 0.000 0.221 282 S C 1.924 176.574 174.600 0.083 0.000 1.033 282 S CA 1.927 60.159 58.200 0.053 0.000 1.010 282 S CB -1.422 61.805 63.200 0.045 0.000 0.891 282 S HN 0.257 nan 8.310 nan 0.000 0.442 283 T N 2.081 116.702 114.554 0.112 0.000 2.904 283 T HA -0.061 4.294 4.350 0.008 0.000 0.267 283 T C 1.348 176.156 174.700 0.179 0.000 1.059 283 T CA 1.013 63.186 62.100 0.121 0.000 1.137 283 T CB -0.398 68.534 68.868 0.107 0.000 0.879 283 T HN 0.293 nan 8.240 nan 0.000 0.467 284 D N 1.509 122.047 120.400 0.230 0.000 2.097 284 D HA -0.058 4.587 4.640 0.008 0.000 0.195 284 D C 2.157 178.618 176.300 0.268 0.000 0.989 284 D CA 1.127 55.331 54.000 0.342 0.000 0.827 284 D CB -0.113 40.871 40.800 0.307 0.000 0.966 284 D HN 0.364 nan 8.370 nan 0.000 0.456 285 K N 0.489 120.979 120.400 0.150 0.000 2.148 285 K HA -0.056 4.269 4.320 0.008 0.000 0.204 285 K C 2.214 178.896 176.600 0.137 0.000 1.050 285 K CA 0.722 57.068 56.287 0.098 0.000 0.942 285 K CB -0.092 32.414 32.500 0.010 0.000 0.724 285 K HN -0.057 nan 8.250 nan 0.000 0.446 286 S N 1.203 116.975 115.700 0.121 0.000 2.368 286 S HA -0.098 4.377 4.470 0.008 0.000 0.225 286 S C 1.925 176.598 174.600 0.122 0.000 1.030 286 S CA 0.901 59.160 58.200 0.099 0.000 0.999 286 S CB -0.139 63.108 63.200 0.078 0.000 0.844 286 S HN 0.192 nan 8.310 nan 0.000 0.459 287 I N -0.035 120.640 120.570 0.176 0.000 2.252 287 I HA -0.110 4.065 4.170 0.008 0.000 0.245 287 I C 2.263 178.504 176.117 0.207 0.000 1.102 287 I CA 1.500 62.922 61.300 0.203 0.000 1.385 287 I CB -0.518 37.657 38.000 0.292 0.000 1.064 287 I HN 0.388 nan 8.210 nan 0.000 0.414 288 Y N 2.105 122.429 120.300 0.041 0.000 2.128 288 Y HA -0.348 4.207 4.550 0.009 0.000 0.284 288 Y C 2.198 178.020 175.900 -0.131 0.000 1.154 288 Y CA 1.999 59.951 58.100 -0.247 0.000 1.149 288 Y CB -0.259 38.031 38.460 -0.283 0.000 0.976 288 Y HN 0.194 nan 8.280 nan 0.000 0.505 289 D N -0.046 120.418 120.400 0.108 0.000 2.144 289 D HA -0.153 4.492 4.640 0.008 0.000 0.199 289 D C 2.038 178.299 176.300 -0.065 0.000 0.984 289 D CA 1.448 55.449 54.000 0.003 0.000 0.834 289 D CB -0.193 40.638 40.800 0.051 0.000 0.955 289 D HN 0.394 nan 8.370 nan 0.000 0.465 290 K N 0.182 120.576 120.400 -0.010 0.000 2.057 290 K HA -0.061 4.264 4.320 0.008 0.000 0.207 290 K C 2.135 178.718 176.600 -0.029 0.000 1.049 290 K CA 0.574 56.859 56.287 -0.003 0.000 0.931 290 K CB 0.004 32.529 32.500 0.042 0.000 0.714 290 K HN -0.006 nan 8.250 nan 0.000 0.440 291 V N 1.522 121.410 119.914 -0.044 0.000 2.358 291 V HA -0.218 3.907 4.120 0.008 0.000 0.246 291 V C 2.148 178.097 176.094 -0.241 0.000 1.047 291 V CA 1.280 63.532 62.300 -0.081 0.000 1.035 291 V CB -0.371 31.443 31.823 -0.016 0.000 0.658 291 V HN 0.262 nan 8.190 nan 0.000 0.452 292 L N 0.289 121.293 121.223 -0.365 0.000 2.042 292 L HA -0.202 4.143 4.340 0.008 0.000 0.210 292 L C 2.412 179.073 176.870 -0.348 0.000 1.076 292 L CA 2.210 56.637 54.840 -0.689 0.000 0.749 292 L CB -0.883 40.655 42.059 -0.868 0.000 0.893 292 L HN 0.353 nan 8.230 nan 0.000 0.432 293 Q N -0.315 119.360 119.800 -0.209 0.000 2.124 293 Q HA -0.180 4.165 4.340 0.008 0.000 0.202 293 Q C 2.030 177.982 176.000 -0.080 0.000 0.977 293 Q CA 1.784 57.510 55.803 -0.128 0.000 0.850 293 Q CB -0.332 28.355 28.738 -0.084 0.000 0.901 293 Q HN 0.568 nan 8.270 nan 0.000 0.429 294 N N -0.610 118.073 118.700 -0.029 0.000 2.120 294 N HA -0.124 4.621 4.740 0.008 0.000 0.188 294 N C 1.274 176.816 175.510 0.053 0.000 1.024 294 N CA 1.031 54.084 53.050 0.005 0.000 0.852 294 N CB -0.356 38.185 38.487 0.090 0.000 1.003 294 N HN 0.243 nan 8.380 nan 0.000 0.424 295 F N 1.704 121.560 119.950 -0.158 0.000 2.234 295 F HA 0.039 4.571 4.527 0.009 0.000 0.299 295 F C 2.264 177.937 175.800 -0.211 0.000 1.087 295 F CA 0.563 58.490 58.000 -0.121 0.000 1.340 295 F CB -0.394 38.669 39.000 0.106 0.000 1.031 295 F HN -0.002 nan 8.300 nan 0.000 0.500 296 R N -0.367 120.096 120.500 -0.062 0.000 2.096 296 R HA -0.095 4.250 4.340 0.008 0.000 0.235 296 R C 2.537 178.709 176.300 -0.214 0.000 1.127 296 R CA 1.163 57.158 56.100 -0.174 0.000 0.968 296 R CB -1.090 29.116 30.300 -0.156 0.000 0.861 296 R HN 0.363 nan 8.270 nan 0.000 0.440 297 G N 1.382 110.058 108.800 -0.207 0.000 2.408 297 G HA2 -0.180 3.785 3.960 0.008 0.000 0.217 297 G HA3 -0.180 3.785 3.960 0.008 0.000 0.217 297 G C 1.383 176.076 174.900 -0.345 0.000 1.150 297 G CA 0.282 45.238 45.100 -0.241 0.000 0.776 297 G HN 0.063 nan 8.290 nan 0.000 0.542 298 I N 0.720 121.011 120.570 -0.465 0.000 2.252 298 I HA -0.055 4.120 4.170 0.008 0.000 0.245 298 I C 2.832 178.714 176.117 -0.391 0.000 1.102 298 I CA 0.598 61.546 61.300 -0.586 0.000 1.385 298 I CB -1.073 36.408 38.000 -0.866 0.000 1.064 298 I HN 0.099 nan 8.210 nan 0.000 0.414 299 V N 1.293 120.901 119.914 -0.510 0.000 2.515 299 V HA -0.284 3.841 4.120 0.008 0.000 0.250 299 V C 2.167 178.061 176.094 -0.334 0.000 1.058 299 V CA 2.368 64.232 62.300 -0.726 0.000 1.064 299 V CB -0.353 30.790 31.823 -1.135 0.000 0.675 299 V HN 0.365 nan 8.190 nan 0.000 0.461 300 D N -0.361 119.886 120.400 -0.256 0.000 2.123 300 D HA -0.158 4.487 4.640 0.008 0.000 0.200 300 D C 2.348 178.588 176.300 -0.099 0.000 0.976 300 D CA 1.381 55.293 54.000 -0.148 0.000 0.831 300 D CB -0.134 40.586 40.800 -0.134 0.000 0.974 300 D HN 0.383 nan 8.370 nan 0.000 0.469 301 R N -0.280 120.146 120.500 -0.124 0.000 2.091 301 R HA -0.058 4.287 4.340 0.008 0.000 0.238 301 R C 2.492 178.801 176.300 0.015 0.000 1.136 301 R CA 0.963 57.031 56.100 -0.053 0.000 0.959 301 R CB -0.361 29.883 30.300 -0.094 0.000 0.856 301 R HN 0.293 nan 8.270 nan 0.000 0.437 302 L N 0.828 122.063 121.223 0.019 0.000 2.131 302 L HA -0.188 4.157 4.340 0.008 0.000 0.210 302 L C 1.603 178.541 176.870 0.114 0.000 1.092 302 L CA 0.979 55.851 54.840 0.053 0.000 0.759 302 L CB -0.444 41.532 42.059 -0.137 0.000 0.903 302 L HN 0.265 nan 8.230 nan 0.000 0.435 303 N N 0.091 118.856 118.700 0.108 0.000 2.494 303 N HA -0.077 4.668 4.740 0.008 0.000 0.182 303 N C 1.381 176.928 175.510 0.062 0.000 1.076 303 N CA 0.883 54.018 53.050 0.142 0.000 0.908 303 N CB 0.246 38.784 38.487 0.084 0.000 0.967 303 N HN 0.412 nan 8.380 nan 0.000 0.449 304 K N -0.236 120.175 120.400 0.019 0.000 2.380 304 K HA 0.164 4.489 4.320 0.008 0.000 0.198 304 K C 0.193 176.764 176.600 -0.048 0.000 1.070 304 K CA -0.131 56.149 56.287 -0.012 0.000 1.040 304 K CB 1.293 33.780 32.500 -0.021 0.000 0.903 304 K HN -0.148 nan 8.250 nan 0.000 0.549 305 V N 2.331 122.192 119.914 -0.088 0.000 2.617 305 V HA -0.037 4.088 4.120 0.008 0.000 0.304 305 V C 0.600 176.588 176.094 -0.176 0.000 1.040 305 V CA 0.742 62.898 62.300 -0.240 0.000 1.149 305 V CB 0.392 31.889 31.823 -0.543 0.000 0.914 305 V HN 0.241 nan 8.190 nan 0.000 0.487 306 L N 5.996 127.118 121.223 -0.169 0.000 2.758 306 L HA 0.460 4.806 4.340 0.008 0.000 0.234 306 L C 0.267 177.092 176.870 -0.076 0.000 1.049 306 L CA 0.320 55.108 54.840 -0.087 0.000 0.908 306 L CB 0.940 42.970 42.059 -0.049 0.000 1.362 306 L HN 0.527 nan 8.230 nan 0.000 0.499 307 V N -1.241 118.614 119.914 -0.099 0.000 3.206 307 V HA 0.462 4.587 4.120 0.008 0.000 0.305 307 V C -1.883 174.205 176.094 -0.010 0.000 1.257 307 V CA -0.915 61.364 62.300 -0.034 0.000 1.057 307 V CB 2.554 34.372 31.823 -0.009 0.000 1.075 307 V HN 0.133 nan 8.190 nan 0.000 0.443 308 C N 5.131 124.468 119.300 0.061 0.000 2.356 308 C HA 0.554 5.019 4.460 0.008 0.000 0.324 308 C C 1.291 176.317 174.990 0.060 0.000 1.167 308 C CA -0.320 58.763 59.018 0.108 0.000 1.420 308 C CB -0.810 27.023 27.740 0.154 0.000 2.036 308 C HN 0.839 nan 8.230 nan 0.000 0.435 309 I N 4.305 124.901 120.570 0.044 0.000 2.353 309 I HA 0.008 4.183 4.170 0.008 0.000 0.248 309 I C 2.228 178.357 176.117 0.019 0.000 1.119 309 I CA 2.099 63.414 61.300 0.025 0.000 1.417 309 I CB -0.999 37.010 38.000 0.015 0.000 1.078 309 I HN 0.625 nan 8.210 nan 0.000 0.421 310 S N -0.307 115.406 115.700 0.021 0.000 2.383 310 S HA -0.135 4.340 4.470 0.008 0.000 0.227 310 S C 0.937 175.540 174.600 0.004 0.000 1.026 310 S CA 1.088 59.290 58.200 0.004 0.000 0.981 310 S CB -0.531 62.669 63.200 0.000 0.000 0.818 310 S HN 0.606 nan 8.310 nan 0.000 0.472 311 D N 1.200 121.614 120.400 0.024 0.000 2.358 311 D HA 0.445 5.090 4.640 0.008 0.000 0.253 311 D C -2.505 173.820 176.300 0.041 0.000 1.288 311 D CA -2.393 51.623 54.000 0.027 0.000 0.950 311 D CB 1.696 42.521 40.800 0.042 0.000 1.197 311 D HN -0.111 nan 8.370 nan 0.000 0.550 312 P HA -0.061 nan 4.420 nan 0.000 0.220 312 P C 0.611 177.940 177.300 0.048 0.000 1.144 312 P CA 0.969 64.091 63.100 0.037 0.000 0.800 312 P CB 0.215 31.930 31.700 0.025 0.000 0.772 313 N N -1.511 117.220 118.700 0.052 0.000 2.467 313 N HA 0.020 4.765 4.740 0.008 0.000 0.184 313 N C 0.059 175.627 175.510 0.096 0.000 1.106 313 N CA -0.243 52.845 53.050 0.065 0.000 0.892 313 N CB -0.002 38.519 38.487 0.057 0.000 0.969 313 N HN -0.019 nan 8.380 nan 0.000 0.454 314 I N 1.702 122.332 120.570 0.100 0.000 2.598 314 I HA -0.067 4.108 4.170 0.008 0.000 0.284 314 I C 0.414 176.621 176.117 0.151 0.000 1.140 314 I CA 0.173 61.546 61.300 0.122 0.000 1.420 314 I CB 0.060 38.072 38.000 0.021 0.000 1.387 314 I HN 0.156 nan 8.210 nan 0.000 0.553 315 N N 7.715 126.537 118.700 0.204 0.000 2.415 315 N HA 0.071 4.816 4.740 0.008 0.000 0.246 315 N C 1.021 176.680 175.510 0.249 0.000 1.078 315 N CA -0.430 52.725 53.050 0.174 0.000 0.942 315 N CB 0.826 39.384 38.487 0.118 0.000 1.140 315 N HN 0.336 nan 8.380 nan 0.000 0.501 316 I N 2.916 123.624 120.570 0.231 0.000 2.151 316 I HA -0.321 3.854 4.170 0.008 0.000 0.243 316 I C 1.702 177.990 176.117 0.285 0.000 1.080 316 I CA 1.068 62.552 61.300 0.307 0.000 1.339 316 I CB -0.947 37.167 38.000 0.190 0.000 1.039 316 I HN 0.552 nan 8.210 nan 0.000 0.409 317 N N 0.978 119.787 118.700 0.182 0.000 2.120 317 N HA -0.140 4.606 4.740 0.008 0.000 0.188 317 N C 1.927 177.498 175.510 0.103 0.000 1.024 317 N CA 1.136 54.275 53.050 0.148 0.000 0.852 317 N CB -0.214 38.335 38.487 0.103 0.000 1.003 317 N HN 0.258 nan 8.380 nan 0.000 0.424 318 I N 0.650 121.250 120.570 0.050 0.000 2.208 318 I HA -0.274 3.901 4.170 0.008 0.000 0.245 318 I C 1.951 177.924 176.117 -0.240 0.000 1.097 318 I CA 1.292 62.534 61.300 -0.096 0.000 1.363 318 I CB -1.128 36.784 38.000 -0.147 0.000 1.051 318 I HN 0.107 nan 8.210 nan 0.000 0.413 319 Y N 1.154 121.342 120.300 -0.187 0.000 2.220 319 Y HA -0.156 4.399 4.550 0.008 0.000 0.291 319 Y C 2.613 178.333 175.900 -0.300 0.000 1.129 319 Y CA 1.359 59.187 58.100 -0.454 0.000 1.161 319 Y CB -0.294 37.834 38.460 -0.553 0.000 0.997 319 Y HN 0.103 nan 8.280 nan 0.000 0.522 320 K N -0.054 120.471 120.400 0.209 0.000 2.057 320 K HA -0.176 4.149 4.320 0.008 0.000 0.207 320 K C 1.675 178.350 176.600 0.124 0.000 1.049 320 K CA 1.504 57.940 56.287 0.248 0.000 0.931 320 K CB -0.193 32.482 32.500 0.292 0.000 0.714 320 K HN 0.283 nan 8.250 nan 0.000 0.440 321 N N 1.170 119.921 118.700 0.084 0.000 2.120 321 N HA -0.167 4.578 4.740 0.008 0.000 0.188 321 N C 1.660 177.152 175.510 -0.030 0.000 1.024 321 N CA 1.173 54.265 53.050 0.070 0.000 0.852 321 N CB -0.167 38.336 38.487 0.028 0.000 1.003 321 N HN 0.036 nan 8.380 nan 0.000 0.424 322 K N 0.779 121.058 120.400 -0.202 0.000 2.057 322 K HA 0.073 4.398 4.320 0.008 0.000 0.206 322 K C 1.853 178.331 176.600 -0.202 0.000 1.050 322 K CA 1.094 57.194 56.287 -0.312 0.000 0.935 322 K CB -0.575 31.558 32.500 -0.612 0.000 0.715 322 K HN 0.180 nan 8.250 nan 0.000 0.439 323 F N 0.942 120.873 119.950 -0.032 0.000 2.234 323 F HA -0.107 4.425 4.527 0.009 0.000 0.299 323 F C 2.307 178.117 175.800 0.016 0.000 1.087 323 F CA 0.839 58.860 58.000 0.036 0.000 1.340 323 F CB -0.081 39.060 39.000 0.236 0.000 1.031 323 F HN 0.096 nan 8.300 nan 0.000 0.500 324 K N 0.806 121.318 120.400 0.187 0.000 2.057 324 K HA -0.257 4.069 4.320 0.008 0.000 0.207 324 K C 1.584 178.229 176.600 0.075 0.000 1.049 324 K CA 2.211 58.605 56.287 0.178 0.000 0.931 324 K CB -0.307 32.367 32.500 0.288 0.000 0.714 324 K HN 0.177 nan 8.250 nan 0.000 0.440 325 D N 0.452 120.877 120.400 0.041 0.000 2.149 325 D HA -0.136 4.509 4.640 0.008 0.000 0.201 325 D C 1.982 178.249 176.300 -0.054 0.000 0.972 325 D CA 1.102 55.108 54.000 0.009 0.000 0.835 325 D CB 0.121 40.918 40.800 -0.004 0.000 0.966 325 D HN 0.204 nan 8.370 nan 0.000 0.476 326 K N -0.726 119.588 120.400 -0.144 0.000 2.020 326 K HA -0.206 4.119 4.320 0.008 0.000 0.212 326 K C 1.402 177.790 176.600 -0.353 0.000 1.050 326 K CA 1.386 57.490 56.287 -0.304 0.000 0.929 326 K CB -0.291 31.861 32.500 -0.580 0.000 0.714 326 K HN 0.300 nan 8.250 nan 0.000 0.443 327 Y N 0.776 120.841 120.300 -0.392 0.000 2.490 327 Y HA 0.131 4.686 4.550 0.008 0.000 0.281 327 Y C 0.039 175.694 175.900 -0.408 0.000 1.174 327 Y CA -0.152 57.562 58.100 -0.643 0.000 1.295 327 Y CB 0.518 37.987 38.460 -1.651 0.000 1.062 327 Y HN -0.012 nan 8.280 nan 0.000 0.522 328 K N 0.054 120.399 120.400 -0.091 0.000 3.096 328 K HA -0.214 4.111 4.320 0.008 0.000 0.266 328 K C -0.624 176.128 176.600 0.253 0.000 1.043 328 K CA 0.559 56.907 56.287 0.101 0.000 0.758 328 K CB -2.410 30.190 32.500 0.168 0.000 1.260 328 K HN 0.424 nan 8.250 nan 0.000 0.481 329 F N -0.291 119.814 119.950 0.258 0.000 2.403 329 F HA 0.254 4.786 4.527 0.008 0.000 0.320 329 F C 1.701 177.647 175.800 0.243 0.000 1.176 329 F CA -1.144 57.004 58.000 0.247 0.000 1.206 329 F CB 0.705 39.845 39.000 0.234 0.000 1.235 329 F HN -0.079 nan 8.300 nan 0.000 0.565 330 V N -0.563 119.604 119.914 0.423 0.000 2.732 330 V HA 0.548 4.673 4.120 0.008 0.000 0.310 330 V C -0.788 175.452 176.094 0.242 0.000 1.053 330 V CA -0.776 61.689 62.300 0.276 0.000 0.957 330 V CB 1.708 33.643 31.823 0.187 0.000 1.018 330 V HN 0.852 nan 8.190 nan 0.000 0.452 331 E N 2.112 122.396 120.200 0.139 0.000 2.218 331 E HA 0.384 4.739 4.350 0.008 0.000 0.263 331 E C -1.115 175.458 176.600 -0.046 0.000 0.879 331 E CA -0.701 55.684 56.400 -0.026 0.000 0.762 331 E CB 1.746 31.412 29.700 -0.057 0.000 1.166 331 E HN 0.996 nan 8.360 nan 0.000 0.415 332 D N 2.432 122.780 120.400 -0.087 0.000 2.414 332 D HA -0.043 4.602 4.640 0.008 0.000 0.251 332 D C 1.060 177.324 176.300 -0.059 0.000 1.252 332 D CA 0.108 54.078 54.000 -0.051 0.000 0.999 332 D CB 0.734 41.507 40.800 -0.045 0.000 1.093 332 D HN 0.377 nan 8.370 nan 0.000 0.515 333 S N -1.008 114.672 115.700 -0.033 0.000 2.465 333 S HA -0.207 4.268 4.470 0.008 0.000 0.241 333 S C 0.920 175.498 174.600 -0.037 0.000 1.000 333 S CA 0.972 59.157 58.200 -0.026 0.000 0.964 333 S CB -0.597 62.595 63.200 -0.013 0.000 0.763 333 S HN 0.649 nan 8.310 nan 0.000 0.512 334 E N 0.418 120.585 120.200 -0.054 0.000 2.548 334 E HA 0.356 4.711 4.350 0.008 0.000 0.206 334 E C 0.929 177.474 176.600 -0.092 0.000 1.005 334 E CA 0.092 56.459 56.400 -0.055 0.000 0.951 334 E CB 0.404 30.079 29.700 -0.041 0.000 1.035 334 E HN 0.629 nan 8.360 nan 0.000 0.470 335 G N 2.601 111.308 108.800 -0.154 0.000 2.141 335 G HA2 -0.286 3.679 3.960 0.008 0.000 0.242 335 G HA3 -0.286 3.679 3.960 0.008 0.000 0.242 335 G C 0.228 174.847 174.900 -0.468 0.000 0.982 335 G CA 0.163 45.091 45.100 -0.286 0.000 0.662 335 G HN 0.102 nan 8.290 nan 0.000 0.527 336 K N 0.802 121.016 120.400 -0.309 0.000 2.312 336 K HA 0.586 4.911 4.320 0.008 0.000 0.287 336 K C -0.025 176.411 176.600 -0.275 0.000 1.062 336 K CA -0.594 55.553 56.287 -0.233 0.000 0.934 336 K CB -0.075 32.366 32.500 -0.100 0.000 1.027 336 K HN 0.246 nan 8.250 nan 0.000 0.478 337 Y N 1.837 122.140 120.300 0.005 0.000 2.320 337 Y HA 0.370 4.925 4.550 0.009 0.000 0.324 337 Y C 0.762 176.602 175.900 -0.100 0.000 1.190 337 Y CA -0.078 58.016 58.100 -0.010 0.000 1.215 337 Y CB 1.586 40.044 38.460 -0.003 0.000 1.221 337 Y HN 0.714 nan 8.280 nan 0.000 0.486 338 S N 1.462 117.200 115.700 0.062 0.000 2.596 338 S HA 0.634 5.109 4.470 0.008 0.000 0.270 338 S C -1.273 173.316 174.600 -0.017 0.000 1.155 338 S CA -1.047 57.127 58.200 -0.043 0.000 0.827 338 S CB 1.084 64.284 63.200 -0.000 0.000 1.130 338 S HN 0.538 nan 8.310 nan 0.000 0.467 339 I N 1.926 122.469 120.570 -0.045 0.000 2.395 339 I HA 0.274 4.449 4.170 0.008 0.000 0.289 339 I C -0.281 175.920 176.117 0.140 0.000 1.023 339 I CA -0.146 61.208 61.300 0.091 0.000 1.350 339 I CB 0.828 38.824 38.000 -0.008 0.000 1.409 339 I HN 0.700 nan 8.210 nan 0.000 0.507 340 D N 6.394 126.940 120.400 0.243 0.000 2.427 340 D HA 0.136 4.782 4.640 0.008 0.000 0.226 340 D C 0.946 177.394 176.300 0.248 0.000 1.076 340 D CA -0.433 53.694 54.000 0.211 0.000 0.849 340 D CB 1.830 42.765 40.800 0.225 0.000 1.052 340 D HN 0.263 nan 8.370 nan 0.000 0.515 341 V N 4.415 124.443 119.914 0.189 0.000 2.317 341 V HA -0.299 3.826 4.120 0.008 0.000 0.251 341 V C 2.095 178.360 176.094 0.284 0.000 1.065 341 V CA 1.798 64.234 62.300 0.226 0.000 1.049 341 V CB -0.439 31.477 31.823 0.156 0.000 0.651 341 V HN 0.528 nan 8.190 nan 0.000 0.450 342 E N 0.849 121.180 120.200 0.218 0.000 2.031 342 E HA -0.162 4.193 4.350 0.008 0.000 0.193 342 E C 2.502 179.237 176.600 0.225 0.000 0.994 342 E CA 1.730 58.251 56.400 0.201 0.000 0.800 342 E CB -0.570 29.221 29.700 0.152 0.000 0.752 342 E HN 0.785 nan 8.360 nan 0.000 0.447 343 S N 0.039 115.882 115.700 0.238 0.000 2.368 343 S HA -0.179 4.296 4.470 0.008 0.000 0.225 343 S C 2.072 176.837 174.600 0.275 0.000 1.030 343 S CA 0.949 59.292 58.200 0.238 0.000 0.999 343 S CB -0.685 62.662 63.200 0.244 0.000 0.844 343 S HN 0.318 nan 8.310 nan 0.000 0.459 344 F N 2.972 123.050 119.950 0.214 0.000 2.102 344 F HA -0.060 4.472 4.527 0.008 0.000 0.298 344 F C 2.014 177.931 175.800 0.195 0.000 1.105 344 F CA 1.893 60.021 58.000 0.214 0.000 1.239 344 F CB -0.838 38.265 39.000 0.172 0.000 0.991 344 F HN 0.237 nan 8.300 nan 0.000 0.474 345 D N 0.059 120.620 120.400 0.268 0.000 2.123 345 D HA -0.239 4.406 4.640 0.008 0.000 0.196 345 D C 2.276 178.663 176.300 0.146 0.000 0.992 345 D CA 1.600 55.747 54.000 0.245 0.000 0.833 345 D CB -0.221 40.773 40.800 0.324 0.000 0.954 345 D HN 0.313 nan 8.370 nan 0.000 0.455 346 K N -0.514 119.976 120.400 0.149 0.000 2.057 346 K HA -0.126 4.200 4.320 0.008 0.000 0.206 346 K C 2.085 178.677 176.600 -0.013 0.000 1.050 346 K CA 0.695 57.077 56.287 0.157 0.000 0.935 346 K CB -0.184 32.432 32.500 0.194 0.000 0.715 346 K HN 0.136 nan 8.250 nan 0.000 0.439 347 L N 0.611 121.806 121.223 -0.046 0.000 2.017 347 L HA -0.180 4.165 4.340 0.008 0.000 0.208 347 L C 2.141 178.842 176.870 -0.281 0.000 1.073 347 L CA 1.738 56.502 54.840 -0.126 0.000 0.745 347 L CB -0.898 41.150 42.059 -0.018 0.000 0.894 347 L HN 0.251 nan 8.230 nan 0.000 0.432 348 Y N 0.609 120.602 120.300 -0.511 0.000 2.097 348 Y HA -0.311 4.244 4.550 0.008 0.000 0.282 348 Y C 2.447 178.056 175.900 -0.486 0.000 1.152 348 Y CA 2.383 60.137 58.100 -0.576 0.000 1.136 348 Y CB -0.160 37.845 38.460 -0.759 0.000 0.975 348 Y HN 0.196 nan 8.280 nan 0.000 0.498 349 K N -0.566 119.695 120.400 -0.233 0.000 2.148 349 K HA -0.119 4.206 4.320 0.008 0.000 0.204 349 K C 2.256 178.331 176.600 -0.875 0.000 1.050 349 K CA 1.356 57.459 56.287 -0.308 0.000 0.942 349 K CB -0.198 32.387 32.500 0.143 0.000 0.724 349 K HN 0.213 nan 8.250 nan 0.000 0.446 350 S N 1.475 116.518 115.700 -1.095 0.000 2.368 350 S HA -0.058 4.417 4.470 0.008 0.000 0.224 350 S C 1.925 176.180 174.600 -0.574 0.000 1.029 350 S CA 1.021 58.507 58.200 -1.191 0.000 0.988 350 S CB -0.150 62.643 63.200 -0.677 0.000 0.838 350 S HN 0.189 nan 8.310 nan 0.000 0.462 351 L N 0.386 121.331 121.223 -0.464 0.000 2.109 351 L HA -0.010 4.335 4.340 0.008 0.000 0.207 351 L C 2.415 179.111 176.870 -0.289 0.000 1.086 351 L CA 0.796 55.473 54.840 -0.272 0.000 0.760 351 L CB -0.371 41.472 42.059 -0.360 0.000 0.910 351 L HN 0.316 nan 8.230 nan 0.000 0.437 352 M N -1.434 117.693 119.600 -0.790 0.000 2.357 352 M HA 0.043 4.529 4.480 0.008 0.000 0.266 352 M C 1.740 177.512 176.300 -0.880 0.000 1.095 352 M CA 1.546 56.222 55.300 -1.039 0.000 1.156 352 M CB -0.475 30.976 32.600 -1.916 0.000 1.365 352 M HN 0.145 nan 8.290 nan 0.000 0.447 353 F N -1.547 118.197 119.950 -0.343 0.000 2.728 353 F HA 0.357 4.889 4.527 0.009 0.000 0.314 353 F C 2.096 177.804 175.800 -0.153 0.000 1.094 353 F CA -0.113 57.755 58.000 -0.220 0.000 1.217 353 F CB -0.390 38.506 39.000 -0.174 0.000 1.056 353 F HN 0.117 nan 8.300 nan 0.000 0.577 354 G N 0.576 109.258 108.800 -0.198 0.000 2.508 354 G HA2 -0.007 3.958 3.960 0.008 0.000 0.212 354 G HA3 -0.007 3.958 3.960 0.008 0.000 0.212 354 G C 0.150 174.879 174.900 -0.285 0.000 1.206 354 G CA -0.052 44.919 45.100 -0.216 0.000 0.822 354 G HN 0.127 nan 8.290 nan 0.000 0.550 355 F N 2.750 122.619 119.950 -0.135 0.000 2.464 355 F HA 0.415 4.947 4.527 0.008 0.000 0.353 355 F C 0.789 176.496 175.800 -0.154 0.000 1.191 355 F CA -0.173 57.740 58.000 -0.145 0.000 1.147 355 F CB 0.565 39.441 39.000 -0.208 0.000 1.294 355 F HN 0.055 nan 8.300 nan 0.000 0.583 356 T N -1.650 112.903 114.554 -0.001 0.000 2.896 356 T HA 0.253 4.608 4.350 0.008 0.000 0.297 356 T C 0.732 175.365 174.700 -0.112 0.000 1.108 356 T CA -0.871 61.193 62.100 -0.060 0.000 1.004 356 T CB 1.937 70.783 68.868 -0.037 0.000 1.159 356 T HN 0.547 nan 8.240 nan 0.000 0.499 357 E N 0.893 120.991 120.200 -0.170 0.000 2.085 357 E HA -0.173 4.182 4.350 0.008 0.000 0.194 357 E C 1.595 178.036 176.600 -0.266 0.000 0.994 357 E CA 1.902 58.193 56.400 -0.181 0.000 0.801 357 E CB -0.364 29.268 29.700 -0.113 0.000 0.743 357 E HN 0.789 nan 8.360 nan 0.000 0.453 358 T N 1.183 115.504 114.554 -0.388 0.000 2.684 358 T HA -0.141 4.214 4.350 0.008 0.000 0.267 358 T C 1.614 176.224 174.700 -0.150 0.000 1.036 358 T CA 1.401 63.311 62.100 -0.318 0.000 1.148 358 T CB -0.305 68.381 68.868 -0.303 0.000 0.863 358 T HN 0.172 nan 8.240 nan 0.000 0.436 359 N N 0.987 119.626 118.700 -0.102 0.000 2.120 359 N HA 0.050 4.796 4.740 0.008 0.000 0.188 359 N C 1.890 177.396 175.510 -0.006 0.000 1.024 359 N CA 0.871 53.894 53.050 -0.045 0.000 0.852 359 N CB -0.410 38.053 38.487 -0.040 0.000 1.003 359 N HN 0.396 nan 8.380 nan 0.000 0.424 360 I N 0.809 121.372 120.570 -0.011 0.000 2.202 360 I HA -0.210 3.965 4.170 0.008 0.000 0.242 360 I C 2.278 178.439 176.117 0.075 0.000 1.091 360 I CA 0.895 62.222 61.300 0.045 0.000 1.368 360 I CB -0.406 37.561 38.000 -0.056 0.000 1.058 360 I HN 0.050 nan 8.210 nan 0.000 0.410 361 A N 0.721 123.528 122.820 -0.021 0.000 1.883 361 A HA -0.292 4.033 4.320 0.008 0.000 0.217 361 A C 2.216 179.837 177.584 0.060 0.000 1.186 361 A CA 2.245 54.276 52.037 -0.010 0.000 0.624 361 A CB -0.609 18.323 19.000 -0.114 0.000 0.822 361 A HN 0.425 nan 8.150 nan 0.000 0.444 362 E N 0.495 120.715 120.200 0.033 0.000 2.077 362 E HA -0.213 4.142 4.350 0.008 0.000 0.193 362 E C 1.811 178.464 176.600 0.088 0.000 0.989 362 E CA 1.848 58.283 56.400 0.057 0.000 0.800 362 E CB -0.464 29.248 29.700 0.020 0.000 0.746 362 E HN 0.629 nan 8.360 nan 0.000 0.452 363 N N -1.354 117.411 118.700 0.107 0.000 2.188 363 N HA -0.139 4.607 4.740 0.008 0.000 0.184 363 N C 0.841 176.384 175.510 0.055 0.000 1.018 363 N CA 1.050 54.147 53.050 0.079 0.000 0.858 363 N CB -0.180 38.368 38.487 0.102 0.000 0.989 363 N HN 0.191 nan 8.380 nan 0.000 0.426 364 Y N 0.630 120.941 120.300 0.018 0.000 2.461 364 Y HA 0.292 4.847 4.550 0.008 0.000 0.277 364 Y C 0.102 176.041 175.900 0.066 0.000 1.182 364 Y CA -0.004 58.113 58.100 0.029 0.000 1.276 364 Y CB -0.027 38.447 38.460 0.022 0.000 1.087 364 Y HN -0.094 nan 8.280 nan 0.000 0.519 365 K N 0.613 121.139 120.400 0.210 0.000 3.148 365 K HA -0.211 4.114 4.320 0.008 0.000 0.267 365 K C -0.759 176.062 176.600 0.369 0.000 0.996 365 K CA 0.458 56.908 56.287 0.272 0.000 0.737 365 K CB -1.845 30.755 32.500 0.167 0.000 1.308 365 K HN 0.328 nan 8.250 nan 0.000 0.470 366 I N 0.689 121.401 120.570 0.236 0.000 2.441 366 I HA 0.204 4.379 4.170 0.008 0.000 0.295 366 I C 0.376 176.388 176.117 -0.174 0.000 0.994 366 I CA -0.896 60.481 61.300 0.127 0.000 1.144 366 I CB 1.733 39.803 38.000 0.116 0.000 1.314 366 I HN 0.053 nan 8.210 nan 0.000 0.445 367 K N 3.701 123.857 120.400 -0.407 0.000 2.174 367 K HA 0.501 4.826 4.320 0.008 0.000 0.275 367 K C -0.559 175.900 176.600 -0.235 0.000 1.015 367 K CA -0.042 55.847 56.287 -0.664 0.000 0.933 367 K CB 1.385 33.354 32.500 -0.884 0.000 1.025 367 K HN 0.669 nan 8.250 nan 0.000 0.463 368 T N 1.395 115.677 114.554 -0.453 0.000 2.787 368 T HA 0.334 4.689 4.350 0.008 0.000 0.297 368 T C -1.275 172.687 174.700 -1.229 0.000 1.221 368 T CA -0.960 60.621 62.100 -0.864 0.000 1.006 368 T CB 0.763 69.365 68.868 -0.444 0.000 1.328 368 T HN 0.758 nan 8.240 nan 0.000 0.509 369 R N 1.343 121.034 120.500 -1.347 0.000 2.734 369 R HA 0.507 4.852 4.340 0.008 0.000 0.266 369 R C 1.108 177.327 176.300 -0.135 0.000 1.044 369 R CA 0.274 55.964 56.100 -0.684 0.000 1.128 369 R CB 0.069 30.132 30.300 -0.394 0.000 1.010 369 R HN 0.602 nan 8.270 nan 0.000 0.461 370 A N 1.376 124.167 122.820 -0.049 0.000 2.014 370 A HA -0.029 4.296 4.320 0.008 0.000 0.218 370 A C 0.936 178.619 177.584 0.166 0.000 1.163 370 A CA 1.326 53.395 52.037 0.053 0.000 0.652 370 A CB 0.023 19.034 19.000 0.019 0.000 0.808 370 A HN 0.800 nan 8.150 nan 0.000 0.449 371 S N -4.154 111.525 115.700 -0.035 0.000 2.565 371 S HA 0.373 4.848 4.470 0.008 0.000 0.269 371 S C 0.115 174.270 174.600 -0.742 0.000 1.153 371 S CA -0.267 57.776 58.200 -0.260 0.000 0.835 371 S CB 0.345 63.497 63.200 -0.081 0.000 1.122 371 S HN 0.434 nan 8.310 nan 0.000 0.462 372 Y N 2.860 122.435 120.300 -1.208 0.000 2.315 372 Y HA 0.056 4.610 4.550 0.008 0.000 0.288 372 Y C 0.569 175.919 175.900 -0.916 0.000 1.154 372 Y CA 1.786 59.201 58.100 -1.142 0.000 1.229 372 Y CB -0.074 37.754 38.460 -1.053 0.000 0.980 372 Y HN 0.632 nan 8.280 nan 0.000 0.540 373 F N 0.718 120.429 119.950 -0.399 0.000 2.777 373 F HA 0.194 4.728 4.527 0.011 0.000 0.291 373 F C 0.798 176.311 175.800 -0.478 0.000 1.187 373 F CA -0.245 57.486 58.000 -0.447 0.000 1.406 373 F CB -0.604 38.135 39.000 -0.435 0.000 0.982 373 F HN -0.077 nan 8.300 nan 0.000 0.509 374 S N -1.806 113.687 115.700 -0.345 0.000 2.617 374 S HA 0.333 4.808 4.470 0.008 0.000 0.283 374 S C -0.262 174.282 174.600 -0.093 0.000 1.189 374 S CA -1.165 56.869 58.200 -0.277 0.000 1.036 374 S CB 1.334 64.420 63.200 -0.190 0.000 1.014 374 S HN 0.032 nan 8.310 nan 0.000 0.522 375 D N 2.216 122.690 120.400 0.124 0.000 2.443 375 D HA 0.199 4.844 4.640 0.008 0.000 0.239 375 D C 0.315 176.645 176.300 0.050 0.000 1.136 375 D CA 0.443 54.517 54.000 0.123 0.000 0.879 375 D CB 0.870 41.782 40.800 0.187 0.000 1.195 375 D HN 0.690 nan 8.370 nan 0.000 0.443 376 S N 1.460 117.173 115.700 0.022 0.000 2.525 376 S HA 0.639 5.114 4.470 0.008 0.000 0.278 376 S C 0.002 174.626 174.600 0.040 0.000 1.234 376 S CA -0.869 57.337 58.200 0.010 0.000 1.058 376 S CB 1.092 64.278 63.200 -0.023 0.000 0.983 376 S HN 0.335 nan 8.310 nan 0.000 0.495 377 L N 1.914 123.162 121.223 0.042 0.000 2.271 377 L HA 0.659 5.004 4.340 0.008 0.000 0.265 377 L C -2.258 174.633 176.870 0.034 0.000 1.013 377 L CA -2.937 51.928 54.840 0.040 0.000 0.820 377 L CB 1.594 43.673 42.059 0.033 0.000 1.352 377 L HN 0.477 nan 8.230 nan 0.000 0.443 378 P HA 0.169 nan 4.420 nan 0.000 0.271 378 P C -2.693 174.610 177.300 0.006 0.000 1.216 378 P CA -1.086 62.034 63.100 0.033 0.000 0.776 378 P CB 0.231 31.955 31.700 0.040 0.000 0.881 379 P HA 0.121 nan 4.420 nan 0.000 0.276 379 P C -0.434 176.822 177.300 -0.073 0.000 1.261 379 P CA -0.190 62.895 63.100 -0.025 0.000 0.800 379 P CB 0.817 32.517 31.700 0.001 0.000 1.066 380 V N -3.094 116.749 119.914 -0.118 0.000 3.074 380 V HA 0.627 4.752 4.120 0.008 0.000 0.314 380 V C -0.403 175.544 176.094 -0.246 0.000 1.117 380 V CA -1.162 61.042 62.300 -0.160 0.000 1.014 380 V CB 1.913 33.590 31.823 -0.243 0.000 1.057 380 V HN 0.510 nan 8.190 nan 0.000 0.438 381 K N 2.204 122.428 120.400 -0.293 0.000 2.235 381 K HA 0.520 4.845 4.320 0.008 0.000 0.266 381 K C -0.913 175.473 176.600 -0.357 0.000 0.980 381 K CA -0.819 55.146 56.287 -0.536 0.000 0.849 381 K CB 1.292 33.408 32.500 -0.640 0.000 1.098 381 K HN 0.701 nan 8.250 nan 0.000 0.445 382 I N 5.184 125.545 120.570 -0.348 0.000 2.471 382 I HA -0.008 4.168 4.170 0.008 0.000 0.286 382 I C 1.411 177.434 176.117 -0.157 0.000 1.079 382 I CA 0.318 61.494 61.300 -0.207 0.000 1.398 382 I CB 0.977 38.928 38.000 -0.083 0.000 1.403 382 I HN 0.764 nan 8.210 nan 0.000 0.530 383 K N 3.845 124.185 120.400 -0.100 0.000 2.002 383 K HA -0.153 4.172 4.320 0.008 0.000 0.209 383 K C 0.543 177.126 176.600 -0.028 0.000 1.048 383 K CA 1.447 57.694 56.287 -0.066 0.000 0.930 383 K CB -0.001 32.468 32.500 -0.051 0.000 0.714 383 K HN 0.523 nan 8.250 nan 0.000 0.438 384 N N -0.353 118.349 118.700 0.005 0.000 2.875 384 N HA 0.088 4.833 4.740 0.008 0.000 0.253 384 N C -0.095 175.433 175.510 0.030 0.000 1.296 384 N CA -0.064 52.995 53.050 0.016 0.000 0.816 384 N CB 0.565 39.068 38.487 0.027 0.000 1.504 384 N HN -0.087 nan 8.380 nan 0.000 0.582 385 L N 1.992 123.200 121.223 -0.025 0.000 2.362 385 L HA 0.033 4.378 4.340 0.008 0.000 0.219 385 L C 1.542 178.436 176.870 0.041 0.000 1.134 385 L CA 0.914 55.700 54.840 -0.090 0.000 0.807 385 L CB -0.048 41.858 42.059 -0.254 0.000 0.927 385 L HN 0.543 nan 8.230 nan 0.000 0.447 386 L N -0.838 120.408 121.223 0.039 0.000 2.599 386 L HA 0.026 4.371 4.340 0.008 0.000 0.230 386 L C 0.410 177.317 176.870 0.062 0.000 1.141 386 L CA 0.025 54.897 54.840 0.053 0.000 0.877 386 L CB -0.308 41.772 42.059 0.034 0.000 1.009 386 L HN 0.129 nan 8.230 nan 0.000 0.447 387 D N 0.250 120.695 120.400 0.075 0.000 2.396 387 D HA 0.041 4.686 4.640 0.008 0.000 0.225 387 D C 0.826 177.181 176.300 0.091 0.000 1.121 387 D CA -0.176 53.868 54.000 0.073 0.000 0.853 387 D CB 0.691 41.533 40.800 0.070 0.000 1.043 387 D HN -0.077 nan 8.370 nan 0.000 0.500 388 N N 2.670 121.410 118.700 0.066 0.000 2.585 388 N HA -0.160 4.585 4.740 0.008 0.000 0.188 388 N C 1.145 176.690 175.510 0.057 0.000 1.102 388 N CA 0.358 53.440 53.050 0.052 0.000 0.920 388 N CB 0.215 38.719 38.487 0.028 0.000 0.963 388 N HN 0.677 nan 8.380 nan 0.000 0.447 389 E N -0.093 120.150 120.200 0.071 0.000 2.371 389 E HA -0.014 4.341 4.350 0.008 0.000 0.194 389 E C 1.142 177.811 176.600 0.116 0.000 1.012 389 E CA 0.404 56.850 56.400 0.076 0.000 0.860 389 E CB 0.331 30.070 29.700 0.065 0.000 0.811 389 E HN 0.140 nan 8.360 nan 0.000 0.502 390 I N -0.337 120.325 120.570 0.153 0.000 3.445 390 I HA 0.073 4.248 4.170 0.008 0.000 0.288 390 I C -0.044 176.264 176.117 0.319 0.000 1.198 390 I CA 0.391 61.843 61.300 0.254 0.000 1.417 390 I CB 0.187 38.342 38.000 0.259 0.000 1.205 390 I HN 0.001 nan 8.210 nan 0.000 0.448 391 Y N 1.558 121.865 120.300 0.013 0.000 2.396 391 Y HA 0.433 4.988 4.550 0.008 0.000 0.332 391 Y C -0.174 175.670 175.900 -0.093 0.000 1.034 391 Y CA -1.054 56.951 58.100 -0.159 0.000 1.057 391 Y CB 1.434 39.696 38.460 -0.329 0.000 1.220 391 Y HN 0.019 nan 8.280 nan 0.000 0.440 392 T N 2.781 117.035 114.554 -0.501 0.000 2.908 392 T HA 0.441 4.796 4.350 0.008 0.000 0.290 392 T C 0.961 175.409 174.700 -0.421 0.000 1.034 392 T CA -0.756 61.155 62.100 -0.314 0.000 1.010 392 T CB 1.380 70.151 68.868 -0.162 0.000 1.068 392 T HN 0.645 nan 8.240 nan 0.000 0.481 393 I N 0.573 121.025 120.570 -0.197 0.000 2.264 393 I HA -0.159 4.016 4.170 0.008 0.000 0.248 393 I C 2.315 178.367 176.117 -0.109 0.000 1.111 393 I CA 1.458 62.684 61.300 -0.123 0.000 1.382 393 I CB -0.243 37.734 38.000 -0.039 0.000 1.060 393 I HN 0.695 nan 8.210 nan 0.000 0.418 394 E N 0.678 120.815 120.200 -0.105 0.000 2.076 394 E HA -0.132 4.224 4.350 0.008 0.000 0.190 394 E C 1.640 178.193 176.600 -0.078 0.000 0.979 394 E CA 1.077 57.433 56.400 -0.074 0.000 0.807 394 E CB 0.004 29.668 29.700 -0.061 0.000 0.761 394 E HN 0.489 nan 8.360 nan 0.000 0.454 395 E N -0.813 119.315 120.200 -0.120 0.000 2.562 395 E HA 0.274 4.629 4.350 0.008 0.000 0.214 395 E C 0.844 177.362 176.600 -0.138 0.000 0.979 395 E CA 0.143 56.493 56.400 -0.082 0.000 1.002 395 E CB 1.084 30.758 29.700 -0.042 0.000 1.048 395 E HN 0.209 nan 8.360 nan 0.000 0.488 396 G N 1.757 110.305 108.800 -0.420 0.000 2.556 396 G HA2 -0.382 3.583 3.960 0.008 0.000 0.283 396 G HA3 -0.382 3.583 3.960 0.008 0.000 0.283 396 G C 0.495 175.134 174.900 -0.435 0.000 1.177 396 G CA 0.448 45.081 45.100 -0.778 0.000 0.978 396 G HN 0.252 nan 8.290 nan 0.000 0.554 397 F N 1.663 121.716 119.950 0.171 0.000 2.416 397 F HA 0.170 4.702 4.527 0.009 0.000 0.296 397 F C 1.877 177.775 175.800 0.164 0.000 1.099 397 F CA 0.781 58.947 58.000 0.275 0.000 1.427 397 F CB 0.047 39.289 39.000 0.404 0.000 1.079 397 F HN 0.134 nan 8.300 nan 0.000 0.536 398 N N 2.130 121.004 118.700 0.291 0.000 3.254 398 N HA 0.133 4.879 4.740 0.008 0.000 0.308 398 N C -0.391 175.184 175.510 0.108 0.000 1.281 398 N CA 0.274 53.441 53.050 0.195 0.000 1.212 398 N CB -0.292 38.315 38.487 0.200 0.000 1.478 398 N HN 0.231 nan 8.380 nan 0.000 0.548 399 I N 1.067 121.700 120.570 0.105 0.000 2.436 399 I HA -0.076 4.099 4.170 0.008 0.000 0.289 399 I C 1.823 177.969 176.117 0.047 0.000 1.083 399 I CA -0.220 61.115 61.300 0.058 0.000 1.372 399 I CB 0.697 38.734 38.000 0.062 0.000 1.408 399 I HN 0.255 nan 8.210 nan 0.000 0.516 400 S N 4.240 119.955 115.700 0.025 0.000 2.359 400 S HA -0.259 4.216 4.470 0.008 0.000 0.224 400 S C 1.400 176.012 174.600 0.019 0.000 1.035 400 S CA 1.525 59.735 58.200 0.016 0.000 1.018 400 S CB -0.481 62.721 63.200 0.003 0.000 0.876 400 S HN 0.841 nan 8.310 nan 0.000 0.448 401 D N 0.908 121.319 120.400 0.018 0.000 2.392 401 D HA -0.036 4.609 4.640 0.008 0.000 0.228 401 D C 1.360 177.676 176.300 0.027 0.000 1.003 401 D CA 0.677 54.688 54.000 0.018 0.000 0.917 401 D CB -0.298 40.510 40.800 0.014 0.000 0.890 401 D HN 0.460 nan 8.370 nan 0.000 0.532 402 K N -0.258 120.164 120.400 0.038 0.000 2.373 402 K HA 0.039 4.364 4.320 0.008 0.000 0.202 402 K C -0.250 176.379 176.600 0.047 0.000 1.025 402 K CA 0.208 56.524 56.287 0.048 0.000 1.115 402 K CB 0.426 32.968 32.500 0.069 0.000 0.858 402 K HN -0.029 nan 8.250 nan 0.000 0.525 403 D N 0.838 121.260 120.400 0.037 0.000 2.723 403 D HA -0.183 4.462 4.640 0.008 0.000 0.236 403 D C 0.005 176.330 176.300 0.041 0.000 1.138 403 D CA 0.822 54.841 54.000 0.031 0.000 0.676 403 D CB -0.607 40.209 40.800 0.027 0.000 1.069 403 D HN 0.208 nan 8.370 nan 0.000 0.430 404 M N -0.571 119.061 119.600 0.054 0.000 2.603 404 M HA 0.149 4.634 4.480 0.008 0.000 0.380 404 M C 1.324 177.664 176.300 0.067 0.000 1.158 404 M CA -0.257 55.086 55.300 0.073 0.000 0.921 404 M CB 0.976 33.644 32.600 0.112 0.000 1.417 404 M HN 0.030 nan 8.290 nan 0.000 0.523 405 E N 2.149 122.367 120.200 0.030 0.000 2.086 405 E HA 0.075 4.430 4.350 0.008 0.000 0.190 405 E C 0.189 176.750 176.600 -0.064 0.000 0.975 405 E CA 1.154 57.555 56.400 0.002 0.000 0.813 405 E CB 0.378 30.073 29.700 -0.009 0.000 0.768 405 E HN 0.236 nan 8.360 nan 0.000 0.457 406 K N 1.342 121.708 120.400 -0.057 0.000 2.401 406 K HA 0.035 4.360 4.320 0.008 0.000 0.278 406 K C -0.278 176.254 176.600 -0.113 0.000 1.018 406 K CA 0.557 56.785 56.287 -0.098 0.000 0.981 406 K CB 0.359 32.831 32.500 -0.047 0.000 0.933 406 K HN 0.119 nan 8.250 nan 0.000 0.477 407 E N 1.641 121.707 120.200 -0.222 0.000 2.660 407 E HA -0.283 4.072 4.350 0.008 0.000 0.260 407 E C -1.031 175.580 176.600 0.019 0.000 1.122 407 E CA 0.690 57.001 56.400 -0.148 0.000 0.755 407 E CB -1.776 27.944 29.700 0.034 0.000 1.345 407 E HN 0.695 nan 8.360 nan 0.000 0.421 408 Y N -2.776 117.584 120.300 0.100 0.000 3.491 408 Y HA -0.342 4.213 4.550 0.008 0.000 0.215 408 Y C 1.605 177.598 175.900 0.154 0.000 1.219 408 Y CA 1.021 59.195 58.100 0.124 0.000 1.485 408 Y CB -2.024 36.499 38.460 0.105 0.000 1.450 408 Y HN 0.222 nan 8.280 nan 0.000 0.603 409 R N 0.191 120.801 120.500 0.183 0.000 2.139 409 R HA -0.157 4.188 4.340 0.008 0.000 0.243 409 R C 2.459 178.811 176.300 0.087 0.000 1.145 409 R CA 1.348 57.518 56.100 0.117 0.000 0.976 409 R CB -0.529 29.817 30.300 0.077 0.000 0.866 409 R HN 0.647 nan 8.270 nan 0.000 0.449 410 G N 0.145 109.028 108.800 0.139 0.000 2.470 410 G HA2 -0.249 3.716 3.960 0.008 0.000 0.220 410 G HA3 -0.249 3.716 3.960 0.008 0.000 0.220 410 G C 1.096 175.987 174.900 -0.015 0.000 1.121 410 G CA 0.335 45.543 45.100 0.180 0.000 0.766 410 G HN 0.375 nan 8.290 nan 0.000 0.553 411 Q N -0.407 119.261 119.800 -0.220 0.000 2.282 411 Q HA 0.111 4.456 4.340 0.008 0.000 0.206 411 Q C 0.328 175.718 176.000 -1.016 0.000 0.878 411 Q CA -0.492 54.715 55.803 -0.994 0.000 0.944 411 Q CB 0.404 28.904 28.738 -0.396 0.000 1.100 411 Q HN 0.256 nan 8.270 nan 0.000 0.509 412 N N 1.657 120.037 118.700 -0.532 0.000 2.442 412 N HA 0.008 4.753 4.740 0.008 0.000 0.265 412 N C 0.356 175.661 175.510 -0.343 0.000 1.138 412 N CA 0.326 52.941 53.050 -0.724 0.000 0.956 412 N CB 0.872 39.059 38.487 -0.500 0.000 1.067 412 N HN 0.066 nan 8.380 nan 0.000 0.474 413 K N 2.551 122.738 120.400 -0.354 0.000 2.147 413 K HA -0.113 4.212 4.320 0.008 0.000 0.205 413 K C 1.469 178.151 176.600 0.135 0.000 1.049 413 K CA 1.504 57.779 56.287 -0.020 0.000 0.936 413 K CB 0.093 32.495 32.500 -0.163 0.000 0.722 413 K HN 0.604 nan 8.250 nan 0.000 0.446 414 A N 0.472 123.277 122.820 -0.025 0.000 2.072 414 A HA 0.028 4.354 4.320 0.008 0.000 0.216 414 A C 1.884 179.487 177.584 0.032 0.000 1.156 414 A CA 0.776 52.825 52.037 0.020 0.000 0.701 414 A CB -0.136 18.855 19.000 -0.015 0.000 0.816 414 A HN 0.135 nan 8.150 nan 0.000 0.458 415 I N -1.362 119.216 120.570 0.015 0.000 2.810 415 I HA 0.028 4.203 4.170 0.008 0.000 0.262 415 I C 0.823 176.991 176.117 0.084 0.000 1.131 415 I CA 0.434 61.755 61.300 0.035 0.000 1.453 415 I CB 0.117 38.121 38.000 0.007 0.000 1.161 415 I HN 0.167 nan 8.210 nan 0.000 0.444 416 N N 1.415 120.207 118.700 0.154 0.000 3.025 416 N HA 0.113 4.858 4.740 0.008 0.000 0.315 416 N C 0.734 176.391 175.510 0.246 0.000 1.511 416 N CA 0.083 53.262 53.050 0.216 0.000 1.097 416 N CB 0.146 38.807 38.487 0.290 0.000 1.395 416 N HN 0.083 nan 8.380 nan 0.000 0.511 417 K N -0.325 120.120 120.400 0.076 0.000 2.280 417 K HA -0.135 4.190 4.320 0.008 0.000 0.202 417 K C 1.732 178.132 176.600 -0.333 0.000 1.047 417 K CA 0.894 57.035 56.287 -0.244 0.000 0.942 417 K CB 0.221 32.606 32.500 -0.190 0.000 0.739 417 K HN 0.482 nan 8.250 nan 0.000 0.457 418 Q N 0.249 119.980 119.800 -0.116 0.000 2.291 418 Q HA -0.055 4.290 4.340 0.008 0.000 0.205 418 Q C 1.747 177.703 176.000 -0.074 0.000 0.970 418 Q CA 1.443 57.192 55.803 -0.089 0.000 0.876 418 Q CB -0.138 28.595 28.738 -0.009 0.000 0.935 418 Q HN 0.241 nan 8.270 nan 0.000 0.455 419 A N 0.457 123.261 122.820 -0.027 0.000 2.067 419 A HA 0.119 4.444 4.320 0.008 0.000 0.217 419 A C 0.693 178.198 177.584 -0.131 0.000 1.156 419 A CA 0.727 52.773 52.037 0.016 0.000 0.683 419 A CB -0.204 18.874 19.000 0.130 0.000 0.808 419 A HN 0.584 nan 8.150 nan 0.000 0.455 420 Y N -3.137 116.958 120.300 -0.341 0.000 2.669 420 Y HA 0.814 5.369 4.550 0.009 0.000 0.335 420 Y C -0.801 174.950 175.900 -0.248 0.000 1.116 420 Y CA -1.605 56.253 58.100 -0.403 0.000 1.081 420 Y CB 0.855 38.893 38.460 -0.704 0.000 1.297 420 Y HN -0.003 nan 8.280 nan 0.000 0.484 421 E N 0.929 121.055 120.200 -0.123 0.000 2.272 421 E HA 0.238 4.593 4.350 0.008 0.000 0.269 421 E C -1.182 175.436 176.600 0.030 0.000 0.877 421 E CA -1.114 55.211 56.400 -0.125 0.000 0.755 421 E CB 2.042 31.678 29.700 -0.107 0.000 1.192 421 E HN 0.524 nan 8.360 nan 0.000 0.422 422 E N 1.602 121.822 120.200 0.034 0.000 2.392 422 E HA 0.230 4.585 4.350 0.008 0.000 0.259 422 E C -0.058 176.548 176.600 0.010 0.000 1.108 422 E CA 0.105 56.541 56.400 0.061 0.000 0.916 422 E CB 0.940 30.676 29.700 0.059 0.000 0.989 422 E HN 0.413 nan 8.360 nan 0.000 0.432 423 I N 0.695 121.261 120.570 -0.007 0.000 2.498 423 I HA 0.031 4.206 4.170 0.008 0.000 0.301 423 I C 0.722 176.878 176.117 0.065 0.000 0.984 423 I CA -0.562 60.723 61.300 -0.024 0.000 1.204 423 I CB 1.641 39.525 38.000 -0.192 0.000 1.362 423 I HN 0.271 nan 8.210 nan 0.000 0.471 424 S N 4.879 120.671 115.700 0.153 0.000 2.481 424 S HA 0.036 4.511 4.470 0.008 0.000 0.282 424 S C 1.193 175.849 174.600 0.093 0.000 1.243 424 S CA -0.393 57.873 58.200 0.109 0.000 1.078 424 S CB 0.284 63.542 63.200 0.098 0.000 0.916 424 S HN 0.453 nan 8.310 nan 0.000 0.495 425 K N 4.028 124.452 120.400 0.039 0.000 2.281 425 K HA -0.151 4.175 4.320 0.008 0.000 0.203 425 K C 1.857 178.458 176.600 0.002 0.000 1.046 425 K CA 1.330 57.645 56.287 0.047 0.000 0.938 425 K CB -0.318 32.199 32.500 0.027 0.000 0.737 425 K HN 0.913 nan 8.250 nan 0.000 0.458 426 E N 0.687 120.813 120.200 -0.122 0.000 2.160 426 E HA -0.207 4.148 4.350 0.008 0.000 0.195 426 E C 0.785 177.270 176.600 -0.191 0.000 0.991 426 E CA 1.088 57.355 56.400 -0.222 0.000 0.810 426 E CB 0.080 29.545 29.700 -0.392 0.000 0.742 426 E HN 0.416 nan 8.360 nan 0.000 0.466 427 H N -0.500 118.644 119.070 0.123 0.000 2.529 427 H HA 0.250 4.811 4.556 0.008 0.000 0.277 427 H C -0.035 175.381 175.328 0.147 0.000 1.004 427 H CA 0.073 56.166 56.048 0.075 0.000 1.167 427 H CB 0.045 29.813 29.762 0.009 0.000 1.445 427 H HN 0.140 nan 8.280 nan 0.000 0.554 428 L N 1.092 122.466 121.223 0.252 0.000 2.295 428 L HA 0.577 4.922 4.340 0.008 0.000 0.285 428 L C 0.170 177.140 176.870 0.167 0.000 1.035 428 L CA -0.920 54.072 54.840 0.252 0.000 0.806 428 L CB 1.569 43.754 42.059 0.210 0.000 1.214 428 L HN 0.036 nan 8.230 nan 0.000 0.426 429 A N 3.937 126.880 122.820 0.206 0.000 2.331 429 A HA 0.802 5.128 4.320 0.008 0.000 0.320 429 A C -0.890 176.782 177.584 0.146 0.000 1.138 429 A CA -0.469 51.655 52.037 0.145 0.000 0.790 429 A CB 1.517 20.615 19.000 0.163 0.000 1.206 429 A HN 0.410 nan 8.150 nan 0.000 0.470 430 V N 2.577 122.556 119.914 0.108 0.000 2.623 430 V HA 0.234 4.359 4.120 0.008 0.000 0.304 430 V C -1.007 175.162 176.094 0.125 0.000 1.054 430 V CA -0.610 61.759 62.300 0.114 0.000 0.882 430 V CB 1.598 33.469 31.823 0.080 0.000 1.002 430 V HN 0.836 nan 8.190 nan 0.000 0.424 431 Y N 5.356 125.668 120.300 0.021 0.000 2.465 431 Y HA 0.407 4.961 4.550 0.008 0.000 0.331 431 Y C 0.272 176.168 175.900 -0.007 0.000 1.102 431 Y CA 0.052 58.155 58.100 0.004 0.000 1.358 431 Y CB 0.358 38.825 38.460 0.010 0.000 1.213 431 Y HN 0.569 nan 8.280 nan 0.000 0.525 432 K N 6.736 126.827 120.400 -0.516 0.000 2.375 432 K HA 0.501 4.826 4.320 0.008 0.000 0.249 432 K C -1.468 174.773 176.600 -0.599 0.000 0.942 432 K CA -1.077 54.942 56.287 -0.447 0.000 0.806 432 K CB 2.137 34.501 32.500 -0.227 0.000 1.227 432 K HN 0.442 nan 8.250 nan 0.000 0.430 433 I N 2.398 122.711 120.570 -0.428 0.000 2.321 433 I HA 0.162 4.337 4.170 0.008 0.000 0.291 433 I C -0.055 175.903 176.117 -0.266 0.000 0.998 433 I CA -0.286 60.807 61.300 -0.345 0.000 1.227 433 I CB 1.269 39.111 38.000 -0.263 0.000 1.368 433 I HN 0.627 nan 8.210 nan 0.000 0.466 434 Q N 7.101 126.753 119.800 -0.247 0.000 2.421 434 Q HA 0.395 4.740 4.340 0.008 0.000 0.242 434 Q C -0.896 174.947 176.000 -0.262 0.000 1.024 434 Q CA -0.415 55.245 55.803 -0.237 0.000 0.891 434 Q CB 0.736 29.339 28.738 -0.224 0.000 1.222 434 Q HN 0.542 nan 8.270 nan 0.000 0.483 435 M N 4.323 123.778 119.600 -0.242 0.000 2.151 435 M HA 0.277 4.762 4.480 0.008 0.000 0.349 435 M C -0.859 175.279 176.300 -0.271 0.000 1.284 435 M CA -0.629 54.523 55.300 -0.246 0.000 1.173 435 M CB 0.058 32.558 32.600 -0.167 0.000 1.469 435 M HN 0.584 nan 8.290 nan 0.000 0.439 436 C N 1.808 120.887 119.300 -0.368 0.000 2.382 436 C HA 0.588 5.053 4.460 0.008 0.000 0.327 436 C C 0.291 175.167 174.990 -0.191 0.000 1.250 436 C CA -1.575 57.252 59.018 -0.318 0.000 1.707 436 C CB 0.615 28.105 27.740 -0.417 0.000 2.272 436 C HN 0.749 nan 8.230 nan 0.000 0.506 437 K N 1.566 121.918 120.400 -0.079 0.000 2.168 437 K HA 0.414 4.739 4.320 0.008 0.000 0.258 437 K C 0.658 177.318 176.600 0.100 0.000 1.010 437 K CA 0.106 56.397 56.287 0.008 0.000 0.929 437 K CB 0.730 33.228 32.500 -0.003 0.000 0.998 437 K HN 0.925 nan 8.250 nan 0.000 0.479 438 S N 0.059 115.827 115.700 0.113 0.000 2.579 438 S HA 0.170 4.645 4.470 0.008 0.000 0.275 438 S C 0.580 175.218 174.600 0.064 0.000 1.345 438 S CA -1.093 57.175 58.200 0.114 0.000 1.031 438 S CB 0.514 63.747 63.200 0.055 0.000 0.892 438 S HN 0.404 nan 8.310 nan 0.000 0.529 444 I N 1.566 122.110 120.570 -0.044 0.000 2.710 444 I HA 0.507 4.682 4.170 0.008 0.000 0.286 444 I C 0.784 176.836 176.117 -0.107 0.000 1.181 444 I CA -0.775 60.485 61.300 -0.067 0.000 1.430 444 I CB 0.174 38.137 38.000 -0.061 0.000 1.367 444 I HN 0.780 nan 8.210 nan 0.000 0.577 445 C N 6.968 126.186 119.300 -0.136 0.000 2.498 445 C HA 0.775 5.240 4.460 0.008 0.000 0.316 445 C C -0.361 174.476 174.990 -0.256 0.000 1.209 445 C CA -1.152 57.750 59.018 -0.193 0.000 1.518 445 C CB 0.001 27.630 27.740 -0.186 0.000 2.147 445 C HN 0.686 nan 8.230 nan 0.000 0.483 446 I N 2.688 123.072 120.570 -0.309 0.000 2.436 446 I HA 0.327 4.502 4.170 0.008 0.000 0.289 446 I C -0.830 175.115 176.117 -0.287 0.000 1.010 446 I CA -0.016 61.022 61.300 -0.437 0.000 1.098 446 I CB 1.665 39.322 38.000 -0.571 0.000 1.266 446 I HN 0.648 nan 8.210 nan 0.000 0.434 447 D N 6.131 126.391 120.400 -0.234 0.000 2.225 447 D HA 0.389 5.034 4.640 0.008 0.000 0.248 447 D C -0.578 175.647 176.300 -0.126 0.000 1.096 447 D CA -0.027 53.873 54.000 -0.167 0.000 0.863 447 D CB 2.386 43.114 40.800 -0.120 0.000 1.156 447 D HN 0.032 nan 8.370 nan 0.000 0.450 448 V N 2.882 122.703 119.914 -0.155 0.000 2.531 448 V HA 0.123 4.248 4.120 0.008 0.000 0.301 448 V C -0.148 175.863 176.094 -0.138 0.000 1.034 448 V CA -1.063 61.159 62.300 -0.131 0.000 0.865 448 V CB 2.106 33.767 31.823 -0.269 0.000 0.995 448 V HN 0.371 nan 8.190 nan 0.000 0.424 449 D N 3.134 123.500 120.400 -0.055 0.000 2.458 449 D HA -0.019 4.626 4.640 0.008 0.000 0.243 449 D C 1.154 177.433 176.300 -0.035 0.000 1.146 449 D CA 0.354 54.333 54.000 -0.036 0.000 0.877 449 D CB 0.774 41.589 40.800 0.026 0.000 1.176 449 D HN 0.651 nan 8.370 nan 0.000 0.461 450 N N 2.015 120.701 118.700 -0.025 0.000 2.258 450 N HA -0.227 4.518 4.740 0.008 0.000 0.187 450 N C 0.923 176.494 175.510 0.101 0.000 1.012 450 N CA 1.393 54.476 53.050 0.055 0.000 0.870 450 N CB 0.229 38.878 38.487 0.269 0.000 0.977 450 N HN 0.297 nan 8.380 nan 0.000 0.434 451 E N -0.274 119.985 120.200 0.097 0.000 2.274 451 E HA -0.054 4.301 4.350 0.008 0.000 0.194 451 E C 0.829 177.494 176.600 0.108 0.000 0.996 451 E CA 0.731 57.196 56.400 0.108 0.000 0.840 451 E CB -0.049 29.705 29.700 0.090 0.000 0.772 451 E HN 0.431 nan 8.360 nan 0.000 0.491 452 D N -0.143 120.312 120.400 0.092 0.000 2.355 452 D HA 0.030 4.675 4.640 0.008 0.000 0.218 452 D C 0.496 176.897 176.300 0.168 0.000 1.004 452 D CA 0.219 54.289 54.000 0.117 0.000 0.880 452 D CB 0.184 41.082 40.800 0.163 0.000 0.911 452 D HN 0.180 nan 8.370 nan 0.000 0.528 453 L N -0.152 121.159 121.223 0.147 0.000 2.479 453 L HA 0.214 4.559 4.340 0.008 0.000 0.248 453 L C 0.234 177.214 176.870 0.183 0.000 1.205 453 L CA -0.619 54.367 54.840 0.243 0.000 0.817 453 L CB 0.185 42.345 42.059 0.169 0.000 1.162 453 L HN -0.212 nan 8.230 nan 0.000 0.486 454 F N 0.471 120.604 119.950 0.305 0.000 2.420 454 F HA 0.206 4.743 4.527 0.016 0.000 0.352 454 F C 0.114 176.030 175.800 0.194 0.000 1.108 454 F CA -0.154 57.987 58.000 0.234 0.000 1.162 454 F CB 0.344 39.460 39.000 0.194 0.000 1.118 454 F HN 0.109 nan 8.300 nan 0.000 0.510 455 F N 5.583 125.685 119.950 0.253 0.000 2.404 455 F HA 0.593 5.125 4.527 0.008 0.000 0.358 455 F C -0.599 175.272 175.800 0.118 0.000 1.120 455 F CA -0.592 57.508 58.000 0.167 0.000 1.144 455 F CB 0.166 39.264 39.000 0.163 0.000 1.133 455 F HN 0.261 nan 8.300 nan 0.000 0.495 456 I N 7.018 127.359 120.570 -0.381 0.000 2.476 456 I HA 0.339 4.514 4.170 0.008 0.000 0.281 456 I C -0.098 175.802 176.117 -0.361 0.000 1.040 456 I CA -0.908 60.279 61.300 -0.187 0.000 1.094 456 I CB 1.419 39.363 38.000 -0.093 0.000 1.219 456 I HN 0.744 nan 8.210 nan 0.000 0.450 457 A N 5.029 127.755 122.820 -0.155 0.000 2.540 457 A HA 0.016 4.341 4.320 0.008 0.000 0.239 457 A C 0.166 177.760 177.584 0.017 0.000 1.061 457 A CA 0.247 52.254 52.037 -0.051 0.000 0.758 457 A CB 0.180 19.315 19.000 0.225 0.000 0.991 457 A HN 0.785 nan 8.150 nan 0.000 0.502 458 D N 1.194 121.559 120.400 -0.059 0.000 2.344 458 D HA 0.058 4.703 4.640 0.008 0.000 0.244 458 D C 0.934 177.295 176.300 0.102 0.000 1.134 458 D CA -0.256 53.742 54.000 -0.003 0.000 0.930 458 D CB 0.773 41.536 40.800 -0.062 0.000 1.175 458 D HN 0.610 nan 8.370 nan 0.000 0.437 459 K N 1.749 122.254 120.400 0.174 0.000 2.280 459 K HA -0.104 4.221 4.320 0.008 0.000 0.202 459 K C 1.127 177.837 176.600 0.182 0.000 1.047 459 K CA 0.718 57.175 56.287 0.284 0.000 0.942 459 K CB 0.128 32.747 32.500 0.198 0.000 0.739 459 K HN 0.347 nan 8.250 nan 0.000 0.457 460 N N 0.218 118.939 118.700 0.036 0.000 2.550 460 N HA -0.047 4.698 4.740 0.008 0.000 0.186 460 N C 0.975 176.406 175.510 -0.132 0.000 1.110 460 N CA 0.538 53.577 53.050 -0.019 0.000 0.912 460 N CB 0.260 38.732 38.487 -0.026 0.000 0.968 460 N HN 0.083 nan 8.380 nan 0.000 0.448 461 S N 0.037 115.532 115.700 -0.342 0.000 2.481 461 S HA 0.079 4.554 4.470 0.008 0.000 0.231 461 S C 0.297 174.417 174.600 -0.800 0.000 0.996 461 S CA 0.520 58.322 58.200 -0.663 0.000 0.942 461 S CB 0.011 62.593 63.200 -1.030 0.000 0.768 461 S HN 0.185 nan 8.310 nan 0.000 0.520 462 F N 1.009 120.979 119.950 0.033 0.000 2.480 462 F HA 0.495 5.027 4.527 0.008 0.000 0.329 462 F C 0.598 176.410 175.800 0.020 0.000 1.091 462 F CA -1.147 56.871 58.000 0.030 0.000 0.972 462 F CB 1.004 40.021 39.000 0.029 0.000 1.150 462 F HN -0.213 nan 8.300 nan 0.000 0.467 463 S N 0.546 116.356 115.700 0.184 0.000 2.562 463 S HA 0.014 4.489 4.470 0.008 0.000 0.281 463 S C 0.302 174.954 174.600 0.087 0.000 1.333 463 S CA -0.284 57.978 58.200 0.103 0.000 1.052 463 S CB 0.403 63.653 63.200 0.082 0.000 0.884 463 S HN 0.745 nan 8.310 nan 0.000 0.506 464 D N 2.046 122.479 120.400 0.054 0.000 2.424 464 D HA 0.213 4.858 4.640 0.008 0.000 0.220 464 D C 0.581 176.887 176.300 0.011 0.000 1.150 464 D CA -0.114 53.905 54.000 0.031 0.000 0.831 464 D CB 0.103 40.922 40.800 0.031 0.000 0.981 464 D HN 0.537 nan 8.370 nan 0.000 0.500 465 D N -0.013 120.394 120.400 0.012 0.000 2.228 465 D HA -0.140 4.505 4.640 0.008 0.000 0.203 465 D C 1.907 178.194 176.300 -0.021 0.000 0.988 465 D CA 0.639 54.638 54.000 -0.001 0.000 0.864 465 D CB 0.033 40.835 40.800 0.003 0.000 0.928 465 D HN 0.358 nan 8.370 nan 0.000 0.469 466 L N 0.529 121.730 121.223 -0.036 0.000 2.353 466 L HA -0.120 4.225 4.340 0.008 0.000 0.220 466 L C 2.019 178.846 176.870 -0.072 0.000 1.133 466 L CA 0.960 55.755 54.840 -0.075 0.000 0.798 466 L CB -0.305 41.689 42.059 -0.109 0.000 0.922 466 L HN 0.086 nan 8.230 nan 0.000 0.445 467 S N -1.958 113.719 115.700 -0.039 0.000 2.593 467 S HA 0.044 4.519 4.470 0.008 0.000 0.217 467 S C 0.769 175.371 174.600 0.003 0.000 0.966 467 S CA -0.246 57.941 58.200 -0.021 0.000 0.914 467 S CB -0.043 63.151 63.200 -0.011 0.000 0.776 467 S HN 0.251 nan 8.310 nan 0.000 0.523 468 K N 2.084 122.485 120.400 0.001 0.000 2.118 468 K HA 0.312 4.637 4.320 0.008 0.000 0.264 468 K C -0.282 176.337 176.600 0.031 0.000 1.000 468 K CA -0.666 55.629 56.287 0.012 0.000 0.929 468 K CB 0.360 32.859 32.500 -0.000 0.000 1.021 468 K HN 0.211 nan 8.250 nan 0.000 0.463 469 N N 2.224 120.947 118.700 0.038 0.000 2.444 469 N HA 0.084 4.829 4.740 0.008 0.000 0.255 469 N C -0.445 175.061 175.510 -0.007 0.000 1.255 469 N CA 0.198 53.283 53.050 0.060 0.000 0.933 469 N CB 0.765 39.285 38.487 0.055 0.000 1.143 469 N HN 0.431 nan 8.380 nan 0.000 0.453 470 E N 1.052 121.217 120.200 -0.059 0.000 2.248 470 E HA 0.294 4.649 4.350 0.008 0.000 0.267 470 E C -0.503 175.945 176.600 -0.253 0.000 0.877 470 E CA -0.554 55.708 56.400 -0.230 0.000 0.759 470 E CB 2.419 31.824 29.700 -0.492 0.000 1.182 470 E HN 0.255 nan 8.360 nan 0.000 0.418 471 R N 2.238 122.623 120.500 -0.192 0.000 2.254 471 R HA 0.379 4.724 4.340 0.008 0.000 0.318 471 R C -0.114 176.081 176.300 -0.176 0.000 1.031 471 R CA -0.649 55.366 56.100 -0.142 0.000 0.905 471 R CB 0.834 31.085 30.300 -0.082 0.000 1.050 471 R HN 0.333 nan 8.270 nan 0.000 0.456 472 I N 3.727 124.205 120.570 -0.153 0.000 2.313 472 I HA 0.191 4.366 4.170 0.008 0.000 0.286 472 I C 0.406 176.525 176.117 0.003 0.000 1.091 472 I CA -0.415 60.814 61.300 -0.118 0.000 1.216 472 I CB 0.433 38.366 38.000 -0.112 0.000 1.434 472 I HN 0.476 nan 8.210 nan 0.000 0.487 473 E N 3.307 123.514 120.200 0.012 0.000 2.405 473 E HA 0.101 4.456 4.350 0.008 0.000 0.253 473 E C 0.803 177.460 176.600 0.095 0.000 1.257 473 E CA -0.112 56.362 56.400 0.123 0.000 0.960 473 E CB 0.483 30.173 29.700 -0.017 0.000 1.077 473 E HN 0.493 nan 8.360 nan 0.000 0.512 474 Y N -0.084 120.263 120.300 0.079 0.000 2.516 474 Y HA 0.072 4.627 4.550 0.009 0.000 0.291 474 Y C 0.632 176.500 175.900 -0.053 0.000 1.131 474 Y CA 0.944 58.983 58.100 -0.103 0.000 1.281 474 Y CB -0.214 37.985 38.460 -0.436 0.000 1.013 474 Y HN 0.383 nan 8.280 nan 0.000 0.554 475 N N -1.083 117.191 118.700 -0.710 0.000 2.184 475 N HA 0.080 4.825 4.740 0.008 0.000 0.206 475 N C -0.264 175.104 175.510 -0.236 0.000 1.151 475 N CA -0.008 52.748 53.050 -0.491 0.000 0.878 475 N CB -0.469 37.602 38.487 -0.693 0.000 1.014 475 N HN 0.049 nan 8.380 nan 0.000 0.512 476 T N 1.991 116.439 114.554 -0.176 0.000 2.940 476 T HA 0.080 4.435 4.350 0.008 0.000 0.309 476 T C -0.012 174.653 174.700 -0.059 0.000 1.056 476 T CA 0.113 62.150 62.100 -0.106 0.000 1.137 476 T CB 0.366 69.180 68.868 -0.091 0.000 0.976 476 T HN 0.419 nan 8.240 nan 0.000 0.547 477 Q N 0.665 120.439 119.800 -0.042 0.000 2.389 477 Q HA 0.600 4.946 4.340 0.008 0.000 0.277 477 Q C -0.859 175.146 176.000 0.008 0.000 1.082 477 Q CA -1.126 54.676 55.803 -0.002 0.000 0.810 477 Q CB 1.614 30.355 28.738 0.005 0.000 1.374 477 Q HN 0.601 nan 8.270 nan 0.000 0.422 478 S N 2.410 118.144 115.700 0.058 0.000 2.565 478 S HA 0.421 4.896 4.470 0.008 0.000 0.274 478 S C -0.369 174.275 174.600 0.073 0.000 1.309 478 S CA -0.606 57.631 58.200 0.062 0.000 1.043 478 S CB 0.474 63.786 63.200 0.188 0.000 0.939 478 S HN 0.634 nan 8.310 nan 0.000 0.504 479 N N 1.476 120.127 118.700 -0.081 0.000 2.284 479 N HA 0.422 5.167 4.740 0.008 0.000 0.300 479 N C -1.840 173.522 175.510 -0.246 0.000 1.047 479 N CA -0.313 52.698 53.050 -0.064 0.000 0.821 479 N CB 1.527 39.958 38.487 -0.094 0.000 1.337 479 N HN 0.665 nan 8.380 nan 0.000 0.482 480 Y N 0.708 120.978 120.300 -0.050 0.000 2.406 480 Y HA 0.511 5.066 4.550 0.008 0.000 0.340 480 Y C 0.093 175.941 175.900 -0.087 0.000 0.975 480 Y CA -0.669 57.408 58.100 -0.040 0.000 1.056 480 Y CB 1.865 40.316 38.460 -0.016 0.000 1.210 480 Y HN 0.309 nan 8.280 nan 0.000 0.448 481 I N 2.848 123.441 120.570 0.038 0.000 2.330 481 I HA 0.214 4.389 4.170 0.008 0.000 0.286 481 I C -0.134 175.962 176.117 -0.035 0.000 1.025 481 I CA -0.580 60.705 61.300 -0.026 0.000 1.197 481 I CB 1.245 39.226 38.000 -0.032 0.000 1.358 481 I HN 0.614 nan 8.210 nan 0.000 0.467 482 E N 5.467 125.636 120.200 -0.051 0.000 2.217 482 E HA 0.068 4.423 4.350 0.008 0.000 0.279 482 E C 0.195 176.533 176.600 -0.437 0.000 1.068 482 E CA -0.283 56.033 56.400 -0.141 0.000 0.882 482 E CB 0.569 30.230 29.700 -0.065 0.000 1.039 482 E HN 0.446 nan 8.360 nan 0.000 0.418 483 N N 3.466 121.789 118.700 -0.627 0.000 2.535 483 N HA -0.013 4.732 4.740 0.008 0.000 0.203 483 N C -0.962 174.098 175.510 -0.750 0.000 1.301 483 N CA 0.390 52.663 53.050 -1.295 0.000 0.859 483 N CB 0.043 38.129 38.487 -0.669 0.000 1.055 483 N HN 0.406 nan 8.380 nan 0.000 0.457 484 D N -0.793 119.380 120.400 -0.378 0.000 2.414 484 D HA 0.564 5.209 4.640 0.008 0.000 0.241 484 D C -1.385 175.007 176.300 0.153 0.000 1.008 484 D CA -0.579 53.371 54.000 -0.083 0.000 1.001 484 D CB 1.263 42.016 40.800 -0.078 0.000 1.277 484 D HN -0.115 nan 8.370 nan 0.000 0.538 485 F N 0.579 120.510 119.950 -0.031 0.000 2.656 485 F HA 0.294 4.826 4.527 0.008 0.000 0.326 485 F C -2.554 173.217 175.800 -0.048 0.000 1.109 485 F CA -1.507 56.485 58.000 -0.013 0.000 1.086 485 F CB 1.621 40.634 39.000 0.021 0.000 1.324 485 F HN 0.068 nan 8.300 nan 0.000 0.511 486 P HA 0.129 nan 4.420 nan 0.000 0.258 486 P C 0.932 178.001 177.300 -0.384 0.000 1.214 486 P CA 0.236 63.061 63.100 -0.459 0.000 0.872 486 P CB 0.247 31.659 31.700 -0.481 0.000 0.890 487 I N 3.836 124.312 120.570 -0.156 0.000 2.335 487 I HA -0.262 3.913 4.170 0.008 0.000 0.251 487 I C 1.469 177.524 176.117 -0.103 0.000 1.129 487 I CA 1.690 62.941 61.300 -0.082 0.000 1.402 487 I CB -0.494 37.474 38.000 -0.053 0.000 1.069 487 I HN 0.277 nan 8.210 nan 0.000 0.424 488 N N 0.131 118.759 118.700 -0.119 0.000 2.142 488 N HA -0.232 4.513 4.740 0.008 0.000 0.186 488 N C 1.719 177.166 175.510 -0.105 0.000 1.023 488 N CA 1.288 54.280 53.050 -0.098 0.000 0.852 488 N CB -0.199 38.234 38.487 -0.091 0.000 0.998 488 N HN 0.608 nan 8.380 nan 0.000 0.424 489 E N 1.115 121.216 120.200 -0.165 0.000 2.150 489 E HA -0.172 4.183 4.350 0.008 0.000 0.193 489 E C 2.001 178.551 176.600 -0.082 0.000 0.985 489 E CA 0.654 56.964 56.400 -0.150 0.000 0.814 489 E CB -0.160 29.392 29.700 -0.247 0.000 0.752 489 E HN 0.223 nan 8.360 nan 0.000 0.466 490 L N 1.237 122.420 121.223 -0.066 0.000 2.027 490 L HA -0.049 4.296 4.340 0.008 0.000 0.206 490 L C 2.263 179.135 176.870 0.003 0.000 1.074 490 L CA 1.579 56.452 54.840 0.054 0.000 0.745 490 L CB -0.232 41.869 42.059 0.069 0.000 0.898 490 L HN 0.221 nan 8.230 nan 0.000 0.433 491 I N -1.049 119.504 120.570 -0.028 0.000 2.394 491 I HA -0.275 3.900 4.170 0.008 0.000 0.251 491 I C 1.966 178.081 176.117 -0.004 0.000 1.136 491 I CA 1.111 62.403 61.300 -0.013 0.000 1.425 491 I CB -0.184 37.799 38.000 -0.028 0.000 1.079 491 I HN 0.266 nan 8.210 nan 0.000 0.425 492 L N -0.476 120.739 121.223 -0.014 0.000 2.554 492 L HA 0.075 4.420 4.340 0.008 0.000 0.225 492 L C 0.585 177.459 176.870 0.006 0.000 1.104 492 L CA -0.153 54.682 54.840 -0.009 0.000 0.866 492 L CB -0.224 41.821 42.059 -0.023 0.000 1.047 492 L HN 0.110 nan 8.230 nan 0.000 0.468 493 D N 0.861 121.271 120.400 0.017 0.000 2.479 493 D HA -0.070 4.575 4.640 0.008 0.000 0.257 493 D C 1.077 177.402 176.300 0.041 0.000 1.230 493 D CA 0.439 54.461 54.000 0.038 0.000 0.912 493 D CB 1.111 41.954 40.800 0.071 0.000 1.130 493 D HN 0.005 nan 8.370 nan 0.000 0.515 494 T N 2.895 117.470 114.554 0.035 0.000 2.564 494 T HA -0.146 4.209 4.350 0.008 0.000 0.259 494 T C 1.002 175.727 174.700 0.042 0.000 1.087 494 T CA 0.922 63.042 62.100 0.033 0.000 1.184 494 T CB -0.119 68.765 68.868 0.028 0.000 0.864 494 T HN 0.489 nan 8.240 nan 0.000 0.403 495 D N 1.265 121.693 120.400 0.047 0.000 2.390 495 D HA 0.007 4.652 4.640 0.008 0.000 0.235 495 D C 1.797 178.133 176.300 0.060 0.000 1.040 495 D CA 0.058 54.090 54.000 0.052 0.000 0.923 495 D CB -0.104 40.731 40.800 0.058 0.000 0.886 495 D HN 0.150 nan 8.370 nan 0.000 0.532 496 L N 0.505 121.767 121.223 0.065 0.000 2.017 496 L HA -0.093 4.253 4.340 0.008 0.000 0.208 496 L C 0.610 177.519 176.870 0.065 0.000 1.073 496 L CA 1.296 56.180 54.840 0.074 0.000 0.745 496 L CB 0.019 42.131 42.059 0.089 0.000 0.894 496 L HN -0.162 nan 8.230 nan 0.000 0.432 497 I N 0.219 120.824 120.570 0.058 0.000 2.395 497 I HA 0.123 4.298 4.170 0.008 0.000 0.289 497 I C 0.730 176.866 176.117 0.031 0.000 1.023 497 I CA -0.042 61.285 61.300 0.045 0.000 1.350 497 I CB 0.392 38.417 38.000 0.042 0.000 1.409 497 I HN 0.085 nan 8.210 nan 0.000 0.507 498 S N 5.776 121.489 115.700 0.021 0.000 2.562 498 S HA 0.127 4.602 4.470 0.008 0.000 0.281 498 S C 0.815 175.412 174.600 -0.004 0.000 1.333 498 S CA -0.180 58.022 58.200 0.004 0.000 1.052 498 S CB 0.236 63.425 63.200 -0.019 0.000 0.884 498 S HN 0.730 nan 8.310 nan 0.000 0.506 499 K N 3.458 123.854 120.400 -0.006 0.000 2.536 499 K HA 0.293 4.618 4.320 0.008 0.000 0.203 499 K C -0.527 176.060 176.600 -0.021 0.000 1.063 499 K CA -0.545 55.737 56.287 -0.009 0.000 1.063 499 K CB 0.152 32.654 32.500 0.003 0.000 0.843 499 K HN 0.360 nan 8.250 nan 0.000 0.521 500 I N 2.718 123.267 120.570 -0.036 0.000 2.365 500 I HA 0.150 4.326 4.170 0.008 0.000 0.291 500 I C 0.559 176.622 176.117 -0.091 0.000 1.004 500 I CA -0.978 60.287 61.300 -0.058 0.000 1.311 500 I CB 1.063 39.023 38.000 -0.066 0.000 1.401 500 I HN 0.307 nan 8.210 nan 0.000 0.491 501 E N 4.705 124.846 120.200 -0.097 0.000 2.608 501 E HA -0.069 4.286 4.350 0.008 0.000 0.259 501 E C -0.928 175.565 176.600 -0.179 0.000 0.951 501 E CA -0.332 55.998 56.400 -0.117 0.000 0.945 501 E CB 0.622 30.258 29.700 -0.107 0.000 0.916 501 E HN 0.379 nan 8.360 nan 0.000 0.477 502 L N 7.457 128.585 121.223 -0.158 0.000 2.281 502 L HA 0.355 4.701 4.340 0.008 0.000 0.285 502 L C -2.289 174.454 176.870 -0.212 0.000 1.074 502 L CA -1.646 53.077 54.840 -0.194 0.000 0.817 502 L CB 0.805 42.789 42.059 -0.124 0.000 1.168 502 L HN 0.517 nan 8.230 nan 0.000 0.434 503 P HA 0.185 nan 4.420 nan 0.000 0.270 503 P C -0.994 176.255 177.300 -0.085 0.000 1.223 503 P CA -0.359 62.556 63.100 -0.308 0.000 0.785 503 P CB 0.435 31.702 31.700 -0.721 0.000 0.923 504 S N 0.109 115.817 115.700 0.014 0.000 2.560 504 S HA 0.011 4.486 4.470 0.008 0.000 0.284 504 S C 1.071 175.810 174.600 0.231 0.000 1.327 504 S CA -0.196 58.060 58.200 0.094 0.000 1.055 504 S CB 0.368 63.621 63.200 0.088 0.000 0.868 504 S HN 0.618 nan 8.310 nan 0.000 0.506 505 E N 1.948 122.277 120.200 0.215 0.000 2.285 505 E HA -0.071 4.284 4.350 0.008 0.000 0.194 505 E C -0.056 176.631 176.600 0.145 0.000 0.997 505 E CA 0.105 56.687 56.400 0.305 0.000 0.845 505 E CB -0.186 29.658 29.700 0.240 0.000 0.782 505 E HN 0.564 nan 8.360 nan 0.000 0.491 506 N N 1.405 120.155 118.700 0.083 0.000 2.497 506 N HA 0.096 4.841 4.740 0.008 0.000 0.271 506 N C -0.484 174.973 175.510 -0.088 0.000 1.142 506 N CA 0.501 53.534 53.050 -0.028 0.000 0.965 506 N CB 1.699 40.189 38.487 0.006 0.000 1.077 506 N HN 0.135 nan 8.380 nan 0.000 0.462 507 T N 0.067 114.474 114.554 -0.244 0.000 2.645 507 T HA 0.167 4.522 4.350 0.008 0.000 0.300 507 T C -1.266 173.311 174.700 -0.205 0.000 1.210 507 T CA -0.628 61.313 62.100 -0.265 0.000 1.034 507 T CB 0.797 69.250 68.868 -0.693 0.000 1.537 507 T HN 0.217 nan 8.240 nan 0.000 0.492 508 E N 1.633 121.737 120.200 -0.160 0.000 2.383 508 E HA 0.329 4.684 4.350 0.008 0.000 0.264 508 E C -0.029 176.483 176.600 -0.146 0.000 1.050 508 E CA 0.050 56.380 56.400 -0.116 0.000 0.896 508 E CB 0.850 30.504 29.700 -0.077 0.000 0.982 508 E HN 0.559 nan 8.360 nan 0.000 0.424 509 S N 1.290 116.927 115.700 -0.105 0.000 2.560 509 S HA 0.015 4.490 4.470 0.008 0.000 0.284 509 S C 0.263 174.776 174.600 -0.144 0.000 1.327 509 S CA -0.464 57.676 58.200 -0.100 0.000 1.055 509 S CB 0.241 63.418 63.200 -0.038 0.000 0.868 509 S HN 0.311 nan 8.310 nan 0.000 0.506 510 L N 3.895 124.999 121.223 -0.199 0.000 2.367 510 L HA 0.282 4.628 4.340 0.008 0.000 0.275 510 L C 1.307 177.848 176.870 -0.548 0.000 1.129 510 L CA 0.748 55.374 54.840 -0.356 0.000 0.839 510 L CB 0.688 42.500 42.059 -0.411 0.000 1.133 510 L HN 0.871 nan 8.230 nan 0.000 0.453 511 T N -0.990 113.269 114.554 -0.491 0.000 2.955 511 T HA 0.173 4.528 4.350 0.008 0.000 0.251 511 T C 0.354 174.776 174.700 -0.463 0.000 1.002 511 T CA 0.027 61.884 62.100 -0.405 0.000 0.970 511 T CB -0.129 68.664 68.868 -0.125 0.000 1.091 511 T HN 0.525 nan 8.240 nan 0.000 0.495 512 D N 0.892 121.021 120.400 -0.452 0.000 2.456 512 D HA 0.289 4.934 4.640 0.008 0.000 0.219 512 D C -0.524 175.583 176.300 -0.321 0.000 1.126 512 D CA -1.316 52.533 54.000 -0.252 0.000 0.890 512 D CB -0.035 40.679 40.800 -0.143 0.000 1.025 512 D HN 0.266 nan 8.370 nan 0.000 0.511 513 F N 1.654 121.592 119.950 -0.019 0.000 2.731 513 F HA 0.144 4.676 4.527 0.008 0.000 0.304 513 F C 1.201 176.992 175.800 -0.014 0.000 1.133 513 F CA -0.656 57.331 58.000 -0.020 0.000 1.380 513 F CB -0.533 38.454 39.000 -0.020 0.000 1.079 513 F HN 0.213 nan 8.300 nan 0.000 0.550 514 N N 1.735 120.494 118.700 0.098 0.000 2.411 514 N HA 0.173 4.918 4.740 0.008 0.000 0.261 514 N C -0.764 174.772 175.510 0.043 0.000 1.248 514 N CA 0.437 53.520 53.050 0.055 0.000 0.885 514 N CB 0.637 39.133 38.487 0.014 0.000 1.062 514 N HN 0.064 nan 8.380 nan 0.000 0.471 515 V N 2.771 122.711 119.914 0.044 0.000 3.177 515 V HA 0.276 4.401 4.120 0.008 0.000 0.287 515 V C -1.866 174.229 176.094 0.001 0.000 1.465 515 V CA -0.974 61.355 62.300 0.049 0.000 1.020 515 V CB 2.184 34.094 31.823 0.145 0.000 1.152 515 V HN 0.658 nan 8.190 nan 0.000 0.448 516 D N 3.640 124.017 120.400 -0.039 0.000 2.274 516 D HA 0.480 5.125 4.640 0.008 0.000 0.239 516 D C -0.463 175.698 176.300 -0.232 0.000 1.104 516 D CA 0.092 54.020 54.000 -0.120 0.000 0.840 516 D CB 1.974 42.683 40.800 -0.152 0.000 1.100 516 D HN 0.375 nan 8.370 nan 0.000 0.477 517 V N 4.418 124.137 119.914 -0.324 0.000 2.370 517 V HA 0.267 4.392 4.120 0.008 0.000 0.283 517 V C -1.908 173.886 176.094 -0.500 0.000 1.023 517 V CA -1.508 60.422 62.300 -0.617 0.000 0.857 517 V CB 1.293 32.845 31.823 -0.451 0.000 0.985 517 V HN 0.363 nan 8.190 nan 0.000 0.443 518 P HA 0.226 nan 4.420 nan 0.000 0.269 518 P C -0.868 175.982 177.300 -0.751 0.000 1.209 518 P CA -0.067 62.672 63.100 -0.601 0.000 0.776 518 P CB 0.595 31.913 31.700 -0.637 0.000 0.876 519 V N 3.760 123.273 119.914 -0.669 0.000 2.409 519 V HA 0.335 4.460 4.120 0.008 0.000 0.291 519 V C -0.637 175.125 176.094 -0.554 0.000 1.020 519 V CA -0.489 61.501 62.300 -0.515 0.000 0.848 519 V CB 0.597 32.270 31.823 -0.249 0.000 0.990 519 V HN 0.424 nan 8.190 nan 0.000 0.430 520 Y N 2.370 122.541 120.300 -0.214 0.000 2.420 520 Y HA 0.707 5.262 4.550 0.008 0.000 0.334 520 Y C 0.445 176.424 175.900 0.131 0.000 1.094 520 Y CA -0.763 57.265 58.100 -0.119 0.000 1.126 520 Y CB 1.767 39.941 38.460 -0.477 0.000 1.217 520 Y HN 0.523 nan 8.280 nan 0.000 0.462 521 E N 1.832 122.279 120.200 0.412 0.000 2.321 521 E HA 0.284 4.639 4.350 0.008 0.000 0.278 521 E C -1.369 175.271 176.600 0.067 0.000 0.902 521 E CA -1.139 55.405 56.400 0.241 0.000 0.758 521 E CB 2.713 32.468 29.700 0.092 0.000 1.213 521 E HN 0.539 nan 8.360 nan 0.000 0.426 522 K N 1.642 121.871 120.400 -0.285 0.000 2.219 522 K HA 0.134 4.460 4.320 0.008 0.000 0.258 522 K C 0.191 176.666 176.600 -0.208 0.000 1.008 522 K CA -0.059 55.911 56.287 -0.527 0.000 0.928 522 K CB 0.629 32.752 32.500 -0.628 0.000 0.983 522 K HN 0.503 nan 8.250 nan 0.000 0.484 523 Q N 0.147 119.845 119.800 -0.170 0.000 2.484 523 Q HA 0.477 4.822 4.340 0.008 0.000 0.285 523 Q C -2.856 173.112 176.000 -0.053 0.000 1.097 523 Q CA -2.569 53.181 55.803 -0.087 0.000 0.802 523 Q CB 1.373 30.064 28.738 -0.078 0.000 1.444 523 Q HN 0.151 nan 8.270 nan 0.000 0.429 524 P HA -0.085 nan 4.420 nan 0.000 0.263 524 P C -0.392 176.991 177.300 0.139 0.000 1.175 524 P CA 0.655 63.781 63.100 0.043 0.000 0.761 524 P CB 0.560 32.295 31.700 0.059 0.000 0.794 525 A N 4.035 126.916 122.820 0.102 0.000 2.218 525 A HA 0.139 4.464 4.320 0.008 0.000 0.209 525 A C 0.738 178.370 177.584 0.079 0.000 1.168 525 A CA 0.755 52.893 52.037 0.169 0.000 0.804 525 A CB -0.413 18.623 19.000 0.059 0.000 0.834 525 A HN 0.511 nan 8.150 nan 0.000 0.482 526 I N -0.253 120.323 120.570 0.010 0.000 2.499 526 I HA 0.284 4.459 4.170 0.008 0.000 0.288 526 I C -0.535 175.526 176.117 -0.093 0.000 1.048 526 I CA -0.558 60.666 61.300 -0.126 0.000 1.062 526 I CB 2.211 40.148 38.000 -0.105 0.000 1.238 526 I HN -0.001 nan 8.210 nan 0.000 0.426 527 K N 6.677 126.961 120.400 -0.193 0.000 2.358 527 K HA 0.450 4.775 4.320 0.008 0.000 0.260 527 K C -0.878 175.641 176.600 -0.134 0.000 0.956 527 K CA -0.724 55.510 56.287 -0.090 0.000 0.834 527 K CB 1.410 33.905 32.500 -0.009 0.000 1.102 527 K HN 0.499 nan 8.250 nan 0.000 0.431 528 K N 4.431 124.767 120.400 -0.108 0.000 2.276 528 K HA 0.273 4.598 4.320 0.008 0.000 0.283 528 K C -0.312 176.195 176.600 -0.156 0.000 1.044 528 K CA -0.468 55.711 56.287 -0.181 0.000 0.944 528 K CB 0.476 32.870 32.500 -0.176 0.000 1.012 528 K HN 0.517 nan 8.250 nan 0.000 0.472 529 I N -0.443 119.976 120.570 -0.251 0.000 2.686 529 I HA 0.455 4.630 4.170 0.008 0.000 0.295 529 I C -1.129 174.809 176.117 -0.299 0.000 1.114 529 I CA -0.847 60.372 61.300 -0.136 0.000 1.038 529 I CB 1.240 39.212 38.000 -0.047 0.000 1.238 529 I HN 0.228 nan 8.210 nan 0.000 0.420 530 F N 2.957 122.852 119.950 -0.092 0.000 2.420 530 F HA 0.793 5.324 4.527 0.007 0.000 0.342 530 F C 0.656 176.351 175.800 -0.176 0.000 1.113 530 F CA -0.379 57.553 58.000 -0.113 0.000 1.059 530 F CB 1.972 40.928 39.000 -0.074 0.000 1.128 530 F HN 0.716 nan 8.300 nan 0.000 0.475 531 T N 2.027 116.527 114.554 -0.090 0.000 3.159 531 T HA 0.214 4.569 4.350 0.008 0.000 0.343 531 T C -0.590 174.032 174.700 -0.130 0.000 1.364 531 T CA -0.693 61.273 62.100 -0.223 0.000 1.102 531 T CB 1.016 69.457 68.868 -0.711 0.000 1.263 531 T HN 0.600 nan 8.240 nan 0.000 0.477 532 D N 2.299 122.663 120.400 -0.061 0.000 2.363 532 D HA 0.131 4.776 4.640 0.008 0.000 0.214 532 D C 0.305 176.625 176.300 0.033 0.000 1.093 532 D CA -0.029 53.972 54.000 0.002 0.000 0.837 532 D CB 0.703 41.521 40.800 0.030 0.000 0.948 532 D HN 0.585 nan 8.370 nan 0.000 0.507 533 E N 1.377 121.576 120.200 -0.003 0.000 2.373 533 E HA 0.107 4.462 4.350 0.008 0.000 0.267 533 E C 0.069 176.764 176.600 0.158 0.000 1.032 533 E CA 0.236 56.692 56.400 0.095 0.000 0.889 533 E CB 0.743 30.546 29.700 0.171 0.000 0.984 533 E HN -0.028 nan 8.360 nan 0.000 0.425 534 N N 2.256 121.067 118.700 0.186 0.000 2.898 534 N HA 0.106 4.851 4.740 0.008 0.000 0.245 534 N C -0.292 175.300 175.510 0.135 0.000 1.185 534 N CA -0.026 53.166 53.050 0.238 0.000 0.879 534 N CB 1.515 40.175 38.487 0.288 0.000 1.157 534 N HN 0.347 nan 8.380 nan 0.000 0.503 535 T N -0.084 114.576 114.554 0.177 0.000 2.850 535 T HA 0.373 4.728 4.350 0.008 0.000 0.269 535 T C 1.726 176.398 174.700 -0.047 0.000 1.075 535 T CA -0.623 61.479 62.100 0.005 0.000 0.987 535 T CB 0.607 69.516 68.868 0.068 0.000 1.889 535 T HN 0.289 nan 8.240 nan 0.000 0.584 536 I N -0.030 120.391 120.570 -0.248 0.000 2.145 536 I HA -0.196 3.980 4.170 0.008 0.000 0.244 536 I C 1.857 177.900 176.117 -0.124 0.000 1.075 536 I CA 2.011 63.143 61.300 -0.280 0.000 1.332 536 I CB -0.223 37.508 38.000 -0.448 0.000 1.033 536 I HN 0.680 nan 8.210 nan 0.000 0.410 537 F N 0.458 120.549 119.950 0.234 0.000 2.134 537 F HA -0.252 4.284 4.527 0.014 0.000 0.299 537 F C 2.592 178.557 175.800 0.275 0.000 1.097 537 F CA 1.036 59.175 58.000 0.231 0.000 1.264 537 F CB -0.750 38.380 39.000 0.217 0.000 1.001 537 F HN 0.104 nan 8.300 nan 0.000 0.479 538 Q N -0.618 119.456 119.800 0.456 0.000 2.083 538 Q HA -0.133 4.212 4.340 0.008 0.000 0.198 538 Q C 1.981 178.290 176.000 0.516 0.000 0.969 538 Q CA 1.324 57.407 55.803 0.467 0.000 0.838 538 Q CB -0.830 28.195 28.738 0.478 0.000 0.900 538 Q HN 0.411 nan 8.270 nan 0.000 0.436 539 Y N 0.352 120.764 120.300 0.187 0.000 2.181 539 Y HA -0.162 4.401 4.550 0.023 0.000 0.288 539 Y C 1.892 177.954 175.900 0.270 0.000 1.146 539 Y CA 0.999 59.169 58.100 0.117 0.000 1.164 539 Y CB -0.293 38.098 38.460 -0.116 0.000 0.982 539 Y HN 0.063 nan 8.280 nan 0.000 0.515 540 L N -1.903 119.558 121.223 0.396 0.000 2.046 540 L HA -0.272 4.073 4.340 0.008 0.000 0.208 540 L C 2.249 179.291 176.870 0.286 0.000 1.077 540 L CA 1.531 56.611 54.840 0.399 0.000 0.747 540 L CB -0.733 41.571 42.059 0.408 0.000 0.896 540 L HN 0.234 nan 8.230 nan 0.000 0.432 541 Y N 0.996 121.402 120.300 0.176 0.000 2.224 541 Y HA -0.288 4.266 4.550 0.007 0.000 0.289 541 Y C 2.852 178.755 175.900 0.005 0.000 1.146 541 Y CA 1.483 59.619 58.100 0.061 0.000 1.182 541 Y CB -0.263 38.258 38.460 0.102 0.000 0.983 541 Y HN 0.264 nan 8.280 nan 0.000 0.524 542 S N -0.749 114.988 115.700 0.062 0.000 2.547 542 S HA -0.155 4.320 4.470 0.008 0.000 0.235 542 S C 1.365 175.960 174.600 -0.008 0.000 0.980 542 S CA 1.012 59.179 58.200 -0.054 0.000 0.941 542 S CB -0.398 62.793 63.200 -0.015 0.000 0.763 542 S HN 0.692 nan 8.310 nan 0.000 0.532 543 Q N 1.549 121.342 119.800 -0.012 0.000 2.280 543 Q HA 0.161 4.506 4.340 0.008 0.000 0.201 543 Q C 0.497 176.349 176.000 -0.247 0.000 0.890 543 Q CA 0.373 56.174 55.803 -0.002 0.000 0.947 543 Q CB 0.605 29.450 28.738 0.179 0.000 1.081 543 Q HN 0.802 nan 8.270 nan 0.000 0.502 544 T N -1.793 112.518 114.554 -0.406 0.000 2.938 544 T HA 0.694 5.049 4.350 0.008 0.000 0.285 544 T C -0.413 174.191 174.700 -0.160 0.000 1.028 544 T CA -0.859 60.968 62.100 -0.456 0.000 1.005 544 T CB 1.223 69.693 68.868 -0.663 0.000 1.157 544 T HN 0.146 nan 8.240 nan 0.000 0.550 545 F N -2.232 117.575 119.950 -0.240 0.000 2.631 545 F HA 0.782 5.314 4.527 0.007 0.000 0.308 545 F C -3.212 172.520 175.800 -0.113 0.000 1.097 545 F CA -2.622 55.279 58.000 -0.165 0.000 0.952 545 F CB -0.306 38.628 39.000 -0.110 0.000 1.307 545 F HN 0.417 nan 8.300 nan 0.000 0.450 546 P HA 0.286 nan 4.420 nan 0.000 0.269 546 P C 0.747 178.070 177.300 0.038 0.000 1.215 546 P CA -0.480 62.621 63.100 0.002 0.000 0.780 546 P CB 0.930 32.652 31.700 0.037 0.000 0.898 547 L N 1.059 122.275 121.223 -0.011 0.000 2.191 547 L HA -0.149 4.196 4.340 0.008 0.000 0.212 547 L C 1.398 178.308 176.870 0.067 0.000 1.103 547 L CA 1.435 56.285 54.840 0.016 0.000 0.769 547 L CB -0.668 41.388 42.059 -0.005 0.000 0.908 547 L HN 0.494 nan 8.230 nan 0.000 0.438 548 D N -0.864 119.570 120.400 0.058 0.000 2.336 548 D HA 0.004 4.649 4.640 0.008 0.000 0.229 548 D C 0.520 176.858 176.300 0.063 0.000 1.061 548 D CA 0.280 54.312 54.000 0.053 0.000 0.875 548 D CB 0.114 40.934 40.800 0.034 0.000 0.904 548 D HN 0.030 nan 8.370 nan 0.000 0.525 549 I N 1.307 121.938 120.570 0.101 0.000 2.404 549 I HA 0.297 4.472 4.170 0.008 0.000 0.293 549 I C 1.276 177.438 176.117 0.076 0.000 0.992 549 I CA -0.619 60.724 61.300 0.072 0.000 1.149 549 I CB 1.976 40.026 38.000 0.084 0.000 1.315 549 I HN 0.078 nan 8.210 nan 0.000 0.446 550 R N 2.007 122.489 120.500 -0.030 0.000 2.517 550 R HA 0.256 4.601 4.340 0.008 0.000 0.265 550 R C -0.485 175.630 176.300 -0.308 0.000 0.921 550 R CA -0.279 55.793 56.100 -0.047 0.000 1.054 550 R CB 0.518 30.875 30.300 0.095 0.000 1.340 550 R HN 0.406 nan 8.270 nan 0.000 0.551 551 D N 2.444 122.539 120.400 -0.509 0.000 2.460 551 D HA 0.309 4.954 4.640 0.008 0.000 0.232 551 D C -0.213 175.773 176.300 -0.524 0.000 1.079 551 D CA -0.711 52.746 54.000 -0.905 0.000 0.864 551 D CB 0.956 41.092 40.800 -1.106 0.000 1.048 551 D HN 0.411 nan 8.370 nan 0.000 0.523 552 I N -0.055 120.235 120.570 -0.468 0.000 3.067 552 I HA 0.775 4.951 4.170 0.008 0.000 0.312 552 I C -0.723 175.248 176.117 -0.244 0.000 1.073 552 I CA -0.965 60.125 61.300 -0.349 0.000 1.016 552 I CB 2.272 39.993 38.000 -0.465 0.000 1.227 552 I HN 0.275 nan 8.210 nan 0.000 0.456 553 S N 3.269 118.863 115.700 -0.175 0.000 2.549 553 S HA 0.685 5.161 4.470 0.008 0.000 0.280 553 S C -0.781 173.767 174.600 -0.085 0.000 1.109 553 S CA -0.911 57.218 58.200 -0.117 0.000 0.905 553 S CB 1.673 64.807 63.200 -0.110 0.000 1.081 553 S HN 0.678 nan 8.310 nan 0.000 0.477 554 L N 1.821 123.006 121.223 -0.063 0.000 2.421 554 L HA 0.745 5.090 4.340 0.008 0.000 0.263 554 L C 0.534 177.391 176.870 -0.023 0.000 1.122 554 L CA -0.367 54.447 54.840 -0.043 0.000 0.804 554 L CB 1.624 43.653 42.059 -0.049 0.000 1.150 554 L HN 0.922 nan 8.230 nan 0.000 0.457 555 T N -1.333 113.224 114.554 0.005 0.000 2.889 555 T HA 0.230 4.585 4.350 0.008 0.000 0.315 555 T C 0.348 175.097 174.700 0.082 0.000 1.291 555 T CA -0.209 61.920 62.100 0.047 0.000 1.028 555 T CB 1.576 70.489 68.868 0.075 0.000 1.235 555 T HN 0.665 nan 8.240 nan 0.000 0.491 556 S N 1.509 117.278 115.700 0.116 0.000 2.575 556 S HA 0.228 4.704 4.470 0.008 0.000 0.215 556 S C 0.858 175.678 174.600 0.366 0.000 0.966 556 S CA -0.139 58.166 58.200 0.176 0.000 0.911 556 S CB 0.106 63.391 63.200 0.142 0.000 0.780 556 S HN 0.600 nan 8.310 nan 0.000 0.514 557 S N 1.317 117.197 115.700 0.299 0.000 2.404 557 S HA 0.372 4.847 4.470 0.008 0.000 0.309 557 S C 0.425 175.168 174.600 0.238 0.000 1.076 557 S CA -0.920 57.435 58.200 0.258 0.000 1.095 557 S CB -0.314 62.978 63.200 0.155 0.000 0.972 557 S HN 0.395 nan 8.310 nan 0.000 0.484 558 F N 5.142 125.081 119.950 -0.018 0.000 2.126 558 F HA -0.119 4.420 4.527 0.019 0.000 0.299 558 F C 1.684 177.357 175.800 -0.211 0.000 1.096 558 F CA 1.984 59.720 58.000 -0.441 0.000 1.255 558 F CB -0.233 38.280 39.000 -0.812 0.000 0.997 558 F HN 0.602 nan 8.300 nan 0.000 0.479 559 D N 0.231 120.458 120.400 -0.290 0.000 2.117 559 D HA -0.180 4.465 4.640 0.008 0.000 0.197 559 D C 1.741 177.905 176.300 -0.227 0.000 0.987 559 D CA 1.645 55.451 54.000 -0.324 0.000 0.829 559 D CB -0.469 40.297 40.800 -0.056 0.000 0.961 559 D HN 0.367 nan 8.370 nan 0.000 0.460 560 D N 0.648 121.019 120.400 -0.049 0.000 2.144 560 D HA -0.042 4.603 4.640 0.008 0.000 0.200 560 D C 2.074 178.426 176.300 0.087 0.000 0.978 560 D CA 0.968 55.041 54.000 0.122 0.000 0.833 560 D CB -0.268 40.653 40.800 0.202 0.000 0.961 560 D HN 0.105 nan 8.370 nan 0.000 0.470 561 A N 0.454 123.253 122.820 -0.036 0.000 1.933 561 A HA -0.126 4.200 4.320 0.008 0.000 0.218 561 A C 2.301 179.786 177.584 -0.166 0.000 1.175 561 A CA 0.892 52.898 52.037 -0.051 0.000 0.628 561 A CB -0.698 18.292 19.000 -0.017 0.000 0.814 561 A HN 0.221 nan 8.150 nan 0.000 0.444 562 L N -1.378 119.638 121.223 -0.346 0.000 2.056 562 L HA -0.133 4.212 4.340 0.008 0.000 0.207 562 L C 2.544 179.275 176.870 -0.231 0.000 1.078 562 L CA 0.997 55.652 54.840 -0.307 0.000 0.749 562 L CB -0.389 41.397 42.059 -0.455 0.000 0.901 562 L HN 0.437 nan 8.230 nan 0.000 0.433 563 L N -0.786 120.252 121.223 -0.309 0.000 2.072 563 L HA -0.012 4.333 4.340 0.008 0.000 0.205 563 L C 0.234 176.717 176.870 -0.645 0.000 1.079 563 L CA 1.440 55.967 54.840 -0.521 0.000 0.752 563 L CB -0.132 41.477 42.059 -0.751 0.000 0.906 563 L HN -0.126 nan 8.230 nan 0.000 0.436 564 F N -0.831 119.075 119.950 -0.074 0.000 2.427 564 F HA 0.253 4.785 4.527 0.008 0.000 0.346 564 F C 1.672 177.434 175.800 -0.064 0.000 1.120 564 F CA -0.087 57.877 58.000 -0.060 0.000 1.033 564 F CB 1.091 40.056 39.000 -0.058 0.000 1.126 564 F HN -0.058 nan 8.300 nan 0.000 0.462 565 S N 0.773 116.532 115.700 0.098 0.000 2.442 565 S HA -0.217 4.258 4.470 0.008 0.000 0.236 565 S C 1.338 175.961 174.600 0.039 0.000 1.007 565 S CA 1.324 59.551 58.200 0.045 0.000 0.965 565 S CB -0.453 62.768 63.200 0.035 0.000 0.773 565 S HN 0.771 nan 8.310 nan 0.000 0.504 566 N N 0.881 119.607 118.700 0.043 0.000 2.322 566 N HA 0.063 4.809 4.740 0.008 0.000 0.194 566 N C -0.459 175.015 175.510 -0.060 0.000 1.126 566 N CA -0.051 52.971 53.050 -0.046 0.000 0.845 566 N CB 0.006 38.447 38.487 -0.077 0.000 0.976 566 N HN 0.197 nan 8.380 nan 0.000 0.475 567 K N 1.039 121.447 120.400 0.013 0.000 2.274 567 K HA 0.411 4.736 4.320 0.008 0.000 0.262 567 K C -0.954 175.654 176.600 0.013 0.000 0.961 567 K CA -0.741 55.552 56.287 0.010 0.000 0.833 567 K CB 2.846 35.395 32.500 0.082 0.000 1.102 567 K HN -0.156 nan 8.250 nan 0.000 0.436 568 V N 3.672 123.586 119.914 -0.000 0.000 2.448 568 V HA 0.199 4.324 4.120 0.008 0.000 0.295 568 V C -0.524 175.617 176.094 0.078 0.000 1.025 568 V CA -1.127 61.191 62.300 0.031 0.000 0.859 568 V CB 1.245 33.074 31.823 0.010 0.000 0.988 568 V HN 0.630 nan 8.190 nan 0.000 0.431 569 Y N 3.576 123.870 120.300 -0.011 0.000 2.497 569 Y HA 0.443 4.997 4.550 0.007 0.000 0.334 569 Y C 0.530 176.438 175.900 0.014 0.000 1.199 569 Y CA 0.584 58.700 58.100 0.026 0.000 1.425 569 Y CB 1.108 39.608 38.460 0.068 0.000 1.291 569 Y HN 0.660 nan 8.280 nan 0.000 0.562 570 S N 5.834 121.075 115.700 -0.765 0.000 2.547 570 S HA 0.396 4.871 4.470 0.008 0.000 0.281 570 S C -0.290 173.738 174.600 -0.954 0.000 1.118 570 S CA -0.775 56.957 58.200 -0.780 0.000 0.947 570 S CB 0.095 63.083 63.200 -0.353 0.000 1.053 570 S HN 0.631 nan 8.310 nan 0.000 0.482 571 F N 2.486 122.014 119.950 -0.703 0.000 2.693 571 F HA 0.545 5.080 4.527 0.013 0.000 0.303 571 F C 0.084 175.782 175.800 -0.170 0.000 1.097 571 F CA -0.988 56.776 58.000 -0.393 0.000 1.330 571 F CB -0.462 38.413 39.000 -0.208 0.000 1.067 571 F HN 0.332 nan 8.300 nan 0.000 0.565 572 F N 1.292 120.947 119.950 -0.491 0.000 2.368 572 F HA 0.315 4.846 4.527 0.007 0.000 0.308 572 F C 1.509 177.243 175.800 -0.110 0.000 1.198 572 F CA -1.106 56.655 58.000 -0.398 0.000 1.130 572 F CB 0.686 39.221 39.000 -0.774 0.000 1.300 572 F HN -0.008 nan 8.300 nan 0.000 0.537 573 S N 1.192 116.975 115.700 0.138 0.000 2.569 573 S HA -0.094 4.381 4.470 0.008 0.000 0.274 573 S C 0.927 175.618 174.600 0.152 0.000 1.353 573 S CA -0.648 57.626 58.200 0.122 0.000 1.023 573 S CB 0.693 63.931 63.200 0.063 0.000 0.876 573 S HN 0.863 nan 8.310 nan 0.000 0.540 574 M N 0.553 120.218 119.600 0.108 0.000 2.108 574 M HA -0.166 4.319 4.480 0.008 0.000 0.261 574 M C 1.713 178.059 176.300 0.077 0.000 1.066 574 M CA 2.504 57.857 55.300 0.088 0.000 1.107 574 M CB -0.627 32.017 32.600 0.073 0.000 1.356 574 M HN 0.973 nan 8.290 nan 0.000 0.406 575 D N -0.695 119.751 120.400 0.077 0.000 2.097 575 D HA -0.244 4.402 4.640 0.008 0.000 0.195 575 D C 1.832 178.173 176.300 0.068 0.000 0.989 575 D CA 1.611 55.648 54.000 0.062 0.000 0.827 575 D CB -0.479 40.353 40.800 0.052 0.000 0.966 575 D HN 0.544 nan 8.370 nan 0.000 0.456 576 Y N 1.018 121.313 120.300 -0.009 0.000 2.114 576 Y HA -0.196 4.360 4.550 0.009 0.000 0.282 576 Y C 2.129 178.047 175.900 0.030 0.000 1.165 576 Y CA 1.764 59.857 58.100 -0.010 0.000 1.148 576 Y CB -0.499 37.938 38.460 -0.040 0.000 0.972 576 Y HN 0.050 nan 8.280 nan 0.000 0.504 577 I N 0.028 120.569 120.570 -0.048 0.000 2.208 577 I HA -0.311 3.864 4.170 0.008 0.000 0.245 577 I C 2.428 178.480 176.117 -0.109 0.000 1.097 577 I CA 1.739 62.967 61.300 -0.120 0.000 1.363 577 I CB -0.423 37.589 38.000 0.019 0.000 1.051 577 I HN 0.146 nan 8.210 nan 0.000 0.413 578 K N 0.797 121.173 120.400 -0.040 0.000 2.002 578 K HA -0.146 4.179 4.320 0.008 0.000 0.209 578 K C 2.039 178.645 176.600 0.010 0.000 1.048 578 K CA 2.028 58.310 56.287 -0.008 0.000 0.930 578 K CB -0.450 32.059 32.500 0.016 0.000 0.714 578 K HN 0.198 nan 8.250 nan 0.000 0.438 579 T N 0.380 114.938 114.554 0.006 0.000 2.788 579 T HA -0.148 4.207 4.350 0.008 0.000 0.268 579 T C 1.832 176.665 174.700 0.222 0.000 1.044 579 T CA 1.320 63.482 62.100 0.103 0.000 1.139 579 T CB -0.459 68.422 68.868 0.023 0.000 0.867 579 T HN 0.356 nan 8.240 nan 0.000 0.454 580 A N 2.345 125.143 122.820 -0.036 0.000 1.972 580 A HA -0.108 4.217 4.320 0.008 0.000 0.219 580 A C 2.038 179.738 177.584 0.193 0.000 1.169 580 A CA 1.225 53.284 52.037 0.037 0.000 0.635 580 A CB -0.382 18.423 19.000 -0.326 0.000 0.810 580 A HN 0.400 nan 8.150 nan 0.000 0.446 581 N N -0.375 118.365 118.700 0.065 0.000 2.322 581 N HA 0.032 4.777 4.740 0.008 0.000 0.194 581 N C 0.286 175.786 175.510 -0.017 0.000 1.126 581 N CA 0.229 53.289 53.050 0.016 0.000 0.845 581 N CB 0.060 38.532 38.487 -0.025 0.000 0.976 581 N HN 0.557 nan 8.380 nan 0.000 0.475 582 K N 1.175 121.585 120.400 0.017 0.000 2.298 582 K HA 0.226 4.551 4.320 0.008 0.000 0.280 582 K C -0.678 175.697 176.600 -0.376 0.000 1.032 582 K CA -0.098 56.126 56.287 -0.105 0.000 0.958 582 K CB 0.824 33.337 32.500 0.020 0.000 0.978 582 K HN -0.274 nan 8.250 nan 0.000 0.472 583 V N 5.623 125.378 119.914 -0.264 0.000 2.459 583 V HA 0.372 4.497 4.120 0.008 0.000 0.295 583 V C -0.179 175.802 176.094 -0.188 0.000 1.029 583 V CA -0.719 61.419 62.300 -0.270 0.000 0.874 583 V CB 1.260 32.989 31.823 -0.156 0.000 0.985 583 V HN 0.684 nan 8.190 nan 0.000 0.438 584 V N 1.152 120.979 119.914 -0.144 0.000 3.158 584 V HA 0.738 4.863 4.120 0.008 0.000 0.311 584 V C -0.370 175.796 176.094 0.120 0.000 1.181 584 V CA -0.985 61.313 62.300 -0.004 0.000 1.054 584 V CB 2.131 33.968 31.823 0.024 0.000 1.085 584 V HN 0.647 nan 8.190 nan 0.000 0.446 585 E N 0.648 120.901 120.200 0.090 0.000 2.390 585 E HA 0.429 4.784 4.350 0.008 0.000 0.261 585 E C 1.330 177.928 176.600 -0.002 0.000 1.076 585 E CA 0.466 56.903 56.400 0.061 0.000 0.905 585 E CB 1.566 31.274 29.700 0.014 0.000 0.984 585 E HN 0.965 nan 8.360 nan 0.000 0.427 586 A N 3.091 125.739 122.820 -0.286 0.000 1.927 586 A HA -0.220 4.105 4.320 0.008 0.000 0.220 586 A C 2.016 179.482 177.584 -0.197 0.000 1.185 586 A CA 2.354 53.988 52.037 -0.671 0.000 0.639 586 A CB -0.994 17.524 19.000 -0.805 0.000 0.820 586 A HN 0.688 nan 8.150 nan 0.000 0.451 587 G N -0.998 107.742 108.800 -0.100 0.000 2.470 587 G HA2 0.005 3.970 3.960 0.008 0.000 0.220 587 G HA3 0.005 3.970 3.960 0.008 0.000 0.220 587 G C 1.241 176.165 174.900 0.040 0.000 1.121 587 G CA 0.982 46.068 45.100 -0.023 0.000 0.766 587 G HN 0.486 nan 8.290 nan 0.000 0.553 588 L N -1.031 120.241 121.223 0.081 0.000 2.693 588 L HA 0.362 4.707 4.340 0.008 0.000 0.235 588 L C 1.935 178.941 176.870 0.228 0.000 1.127 588 L CA -0.479 54.436 54.840 0.125 0.000 0.914 588 L CB 0.028 42.151 42.059 0.106 0.000 1.193 588 L HN 0.081 nan 8.230 nan 0.000 0.502 589 F N 1.964 121.975 119.950 0.101 0.000 2.102 589 F HA -0.211 4.321 4.527 0.009 0.000 0.298 589 F C 2.459 178.408 175.800 0.248 0.000 1.105 589 F CA 1.533 59.672 58.000 0.230 0.000 1.239 589 F CB -0.121 39.032 39.000 0.254 0.000 0.991 589 F HN 0.065 nan 8.300 nan 0.000 0.474 590 A N 0.128 123.029 122.820 0.134 0.000 1.908 590 A HA -0.105 4.220 4.320 0.008 0.000 0.218 590 A C 2.510 180.052 177.584 -0.070 0.000 1.181 590 A CA 1.827 53.849 52.037 -0.025 0.000 0.627 590 A CB -1.805 17.211 19.000 0.027 0.000 0.818 590 A HN 0.510 nan 8.150 nan 0.000 0.445 591 G N -1.746 107.060 108.800 0.009 0.000 2.418 591 G HA2 -0.280 3.685 3.960 0.008 0.000 0.217 591 G HA3 -0.280 3.685 3.960 0.008 0.000 0.217 591 G C 1.406 176.302 174.900 -0.007 0.000 1.158 591 G CA 1.073 46.175 45.100 0.003 0.000 0.771 591 G HN 0.737 nan 8.290 nan 0.000 0.545 592 W N 0.957 122.171 121.300 -0.144 0.000 2.388 592 W HA -0.030 4.635 4.660 0.008 0.000 0.294 592 W C 2.292 178.665 176.519 -0.244 0.000 1.212 592 W CA 1.374 58.624 57.345 -0.158 0.000 1.271 592 W CB -0.205 29.184 29.460 -0.118 0.000 1.126 592 W HN 0.027 nan 8.180 nan 0.000 0.535 593 V N 1.566 121.205 119.914 -0.458 0.000 2.358 593 V HA -0.318 3.807 4.120 0.008 0.000 0.246 593 V C 2.552 178.333 176.094 -0.522 0.000 1.047 593 V CA 2.398 64.282 62.300 -0.693 0.000 1.035 593 V CB -0.945 30.527 31.823 -0.585 0.000 0.658 593 V HN 0.233 nan 8.190 nan 0.000 0.452 594 K N -0.107 120.087 120.400 -0.343 0.000 2.097 594 K HA -0.258 4.067 4.320 0.008 0.000 0.206 594 K C 2.243 178.699 176.600 -0.240 0.000 1.049 594 K CA 1.918 58.058 56.287 -0.244 0.000 0.933 594 K CB -0.107 32.296 32.500 -0.161 0.000 0.717 594 K HN 0.585 nan 8.250 nan 0.000 0.442 595 Q N 0.462 120.096 119.800 -0.277 0.000 2.016 595 Q HA -0.166 4.179 4.340 0.008 0.000 0.200 595 Q C 2.106 177.935 176.000 -0.285 0.000 0.978 595 Q CA 1.443 57.104 55.803 -0.236 0.000 0.833 595 Q CB -0.114 28.509 28.738 -0.192 0.000 0.895 595 Q HN 0.353 nan 8.270 nan 0.000 0.427 596 I N 0.193 120.447 120.570 -0.526 0.000 2.439 596 I HA -0.170 4.005 4.170 0.008 0.000 0.251 596 I C 1.892 177.895 176.117 -0.190 0.000 1.139 596 I CA 0.790 61.824 61.300 -0.443 0.000 1.438 596 I CB -0.032 37.449 38.000 -0.866 0.000 1.085 596 I HN 0.087 nan 8.210 nan 0.000 0.427 597 V N 0.809 120.568 119.914 -0.257 0.000 2.358 597 V HA -0.261 3.864 4.120 0.008 0.000 0.246 597 V C 2.300 178.381 176.094 -0.021 0.000 1.047 597 V CA 2.112 64.336 62.300 -0.127 0.000 1.035 597 V CB -1.104 30.598 31.823 -0.202 0.000 0.658 597 V HN 0.527 nan 8.190 nan 0.000 0.452 598 N N 0.499 119.154 118.700 -0.075 0.000 2.120 598 N HA -0.193 4.552 4.740 0.008 0.000 0.188 598 N C 1.487 176.985 175.510 -0.021 0.000 1.024 598 N CA 1.705 54.728 53.050 -0.046 0.000 0.852 598 N CB -0.210 38.235 38.487 -0.071 0.000 1.003 598 N HN 0.405 nan 8.380 nan 0.000 0.424 599 D N -0.579 119.816 120.400 -0.008 0.000 2.149 599 D HA -0.162 4.483 4.640 0.008 0.000 0.198 599 D C 1.533 177.810 176.300 -0.040 0.000 0.990 599 D CA 0.646 54.655 54.000 0.016 0.000 0.839 599 D CB -0.430 40.442 40.800 0.120 0.000 0.948 599 D HN 0.357 nan 8.370 nan 0.000 0.460 600 F N 1.154 121.056 119.950 -0.079 0.000 2.102 600 F HA -0.222 4.311 4.527 0.011 0.000 0.298 600 F C 2.211 177.821 175.800 -0.315 0.000 1.105 600 F CA 1.077 58.935 58.000 -0.237 0.000 1.239 600 F CB -0.144 38.857 39.000 0.002 0.000 0.991 600 F HN -0.212 nan 8.300 nan 0.000 0.474 601 V N 1.067 121.047 119.914 0.110 0.000 2.343 601 V HA -0.332 3.793 4.120 0.008 0.000 0.247 601 V C 2.400 178.398 176.094 -0.161 0.000 1.051 601 V CA 2.113 64.431 62.300 0.030 0.000 1.036 601 V CB -0.655 31.206 31.823 0.064 0.000 0.654 601 V HN 0.395 nan 8.190 nan 0.000 0.451 602 I N -0.375 120.083 120.570 -0.186 0.000 2.179 602 I HA -0.198 3.977 4.170 0.008 0.000 0.242 602 I C 2.708 178.615 176.117 -0.350 0.000 1.088 602 I CA 1.398 62.575 61.300 -0.206 0.000 1.357 602 I CB -0.468 37.437 38.000 -0.159 0.000 1.051 602 I HN 0.326 nan 8.210 nan 0.000 0.409 603 E N 1.013 120.823 120.200 -0.650 0.000 2.051 603 E HA -0.204 4.151 4.350 0.008 0.000 0.192 603 E C 2.330 178.337 176.600 -0.989 0.000 0.991 603 E CA 1.535 57.297 56.400 -1.064 0.000 0.799 603 E CB -0.334 28.086 29.700 -2.133 0.000 0.748 603 E HN 0.501 nan 8.360 nan 0.000 0.449 604 A N 1.886 124.131 122.820 -0.958 0.000 1.902 604 A HA -0.168 4.157 4.320 0.008 0.000 0.217 604 A C 1.920 179.489 177.584 -0.025 0.000 1.181 604 A CA 1.293 53.115 52.037 -0.358 0.000 0.623 604 A CB -0.491 18.363 19.000 -0.243 0.000 0.818 604 A HN 0.151 nan 8.150 nan 0.000 0.443 605 N N -0.096 118.544 118.700 -0.100 0.000 2.573 605 N HA -0.069 4.676 4.740 0.008 0.000 0.187 605 N C 1.034 176.534 175.510 -0.017 0.000 1.107 605 N CA 0.638 53.669 53.050 -0.031 0.000 0.918 605 N CB -0.148 38.308 38.487 -0.051 0.000 0.966 605 N HN 0.540 nan 8.380 nan 0.000 0.448 606 K N 0.537 120.943 120.400 0.009 0.000 2.574 606 K HA -0.002 4.323 4.320 0.008 0.000 0.193 606 K C 1.633 178.207 176.600 -0.045 0.000 1.035 606 K CA 0.407 56.700 56.287 0.011 0.000 0.982 606 K CB 0.069 32.609 32.500 0.067 0.000 0.795 606 K HN 0.179 nan 8.250 nan 0.000 0.491 607 S N 1.083 116.768 115.700 -0.025 0.000 2.555 607 S HA -0.093 4.383 4.470 0.008 0.000 0.230 607 S C 1.079 175.587 174.600 -0.154 0.000 0.978 607 S CA 0.862 58.954 58.200 -0.180 0.000 0.934 607 S CB -0.347 62.822 63.200 -0.051 0.000 0.766 607 S HN 0.385 nan 8.310 nan 0.000 0.533 608 N N 0.515 119.158 118.700 -0.095 0.000 2.251 608 N HA 0.101 4.846 4.740 0.008 0.000 0.217 608 N C -0.482 174.970 175.510 -0.095 0.000 1.124 608 N CA -0.194 52.808 53.050 -0.080 0.000 0.843 608 N CB -0.590 37.870 38.487 -0.044 0.000 1.024 608 N HN 0.043 nan 8.380 nan 0.000 0.501 609 T N 1.560 116.037 114.554 -0.128 0.000 2.908 609 T HA 0.084 4.439 4.350 0.008 0.000 0.301 609 T C 0.354 174.985 174.700 -0.115 0.000 1.019 609 T CA 0.357 62.386 62.100 -0.118 0.000 1.152 609 T CB 0.329 69.118 68.868 -0.132 0.000 0.966 609 T HN 0.206 nan 8.240 nan 0.000 0.540 610 M N 2.434 121.981 119.600 -0.088 0.000 2.598 610 M HA 0.389 4.874 4.480 0.008 0.000 0.317 610 M C 0.102 176.364 176.300 -0.063 0.000 1.201 610 M CA -0.549 54.707 55.300 -0.072 0.000 0.971 610 M CB 1.361 33.919 32.600 -0.070 0.000 1.657 610 M HN 0.435 nan 8.290 nan 0.000 0.470 611 D N 0.162 120.536 120.400 -0.043 0.000 3.078 611 D HA 0.167 4.812 4.640 0.008 0.000 0.363 611 D C 0.496 176.783 176.300 -0.022 0.000 1.391 611 D CA 0.011 53.996 54.000 -0.026 0.000 0.754 611 D CB 0.430 41.227 40.800 -0.005 0.000 1.238 611 D HN 0.292 nan 8.370 nan 0.000 0.500 612 K N 0.217 120.593 120.400 -0.041 0.000 2.160 612 K HA -0.126 4.199 4.320 0.008 0.000 0.206 612 K C 1.726 178.292 176.600 -0.057 0.000 1.047 612 K CA 0.587 56.847 56.287 -0.045 0.000 0.930 612 K CB 0.034 32.497 32.500 -0.062 0.000 0.720 612 K HN 0.367 nan 8.250 nan 0.000 0.450 613 I N 0.852 121.387 120.570 -0.058 0.000 2.493 613 I HA -0.145 4.030 4.170 0.008 0.000 0.254 613 I C 1.549 177.598 176.117 -0.112 0.000 1.160 613 I CA 0.983 62.230 61.300 -0.088 0.000 1.445 613 I CB -0.197 37.783 38.000 -0.034 0.000 1.086 613 I HN 0.053 nan 8.210 nan 0.000 0.433 614 A N -0.773 122.017 122.820 -0.049 0.000 2.307 614 A HA 0.152 4.477 4.320 0.008 0.000 0.218 614 A C 0.587 178.155 177.584 -0.028 0.000 1.228 614 A CA 0.382 52.402 52.037 -0.028 0.000 0.857 614 A CB -0.400 18.609 19.000 0.014 0.000 0.897 614 A HN 0.481 nan 8.150 nan 0.000 0.495 615 D N -0.853 119.524 120.400 -0.038 0.000 2.800 615 D HA -0.144 4.501 4.640 0.008 0.000 0.232 615 D C -0.432 175.871 176.300 0.005 0.000 1.137 615 D CA 1.073 55.060 54.000 -0.022 0.000 0.718 615 D CB -1.360 39.416 40.800 -0.040 0.000 1.084 615 D HN 0.565 nan 8.370 nan 0.000 0.432 616 I N 0.534 121.121 120.570 0.027 0.000 2.448 616 I HA 0.080 4.255 4.170 0.008 0.000 0.281 616 I C 1.352 177.496 176.117 0.046 0.000 1.027 616 I CA -0.459 60.887 61.300 0.077 0.000 1.111 616 I CB 1.773 39.864 38.000 0.152 0.000 1.236 616 I HN -0.258 nan 8.210 nan 0.000 0.452 617 S N 4.661 120.385 115.700 0.039 0.000 2.383 617 S HA -0.004 4.471 4.470 0.008 0.000 0.227 617 S C 0.307 174.913 174.600 0.009 0.000 1.026 617 S CA 0.978 59.186 58.200 0.014 0.000 0.981 617 S CB -0.011 63.194 63.200 0.009 0.000 0.818 617 S HN 0.477 nan 8.310 nan 0.000 0.472 618 L N 0.175 121.425 121.223 0.044 0.000 2.431 618 L HA 0.739 5.084 4.340 0.008 0.000 0.266 618 L C -1.314 175.507 176.870 -0.082 0.000 0.978 618 L CA -0.493 54.347 54.840 -0.001 0.000 0.822 618 L CB 1.967 44.062 42.059 0.060 0.000 1.310 618 L HN 0.148 nan 8.230 nan 0.000 0.409 619 I N 4.201 124.566 120.570 -0.342 0.000 2.710 619 I HA 0.427 4.602 4.170 0.008 0.000 0.290 619 I C -1.479 174.163 176.117 -0.791 0.000 1.318 619 I CA -0.646 60.177 61.300 -0.795 0.000 1.045 619 I CB 2.210 39.921 38.000 -0.481 0.000 1.307 619 I HN 0.337 nan 8.210 nan 0.000 0.424 620 V N 9.917 129.117 119.914 -1.190 0.000 2.304 620 V HA 0.267 4.393 4.120 0.008 0.000 0.262 620 V C -1.329 174.381 176.094 -0.640 0.000 1.061 620 V CA -0.985 60.809 62.300 -0.843 0.000 0.872 620 V CB 0.573 31.911 31.823 -0.808 0.000 1.077 620 V HN 0.671 nan 8.190 nan 0.000 0.480 621 P HA -0.184 nan 4.420 nan 0.000 0.218 621 P C 0.935 178.192 177.300 -0.073 0.000 1.148 621 P CA 1.593 64.633 63.100 -0.100 0.000 0.822 621 P CB 0.059 31.736 31.700 -0.040 0.000 0.784 622 Y N -2.689 117.562 120.300 -0.081 0.000 2.468 622 Y HA 0.356 4.911 4.550 0.009 0.000 0.268 622 Y C 2.074 177.769 175.900 -0.342 0.000 1.177 622 Y CA -1.086 56.961 58.100 -0.089 0.000 1.265 622 Y CB -1.661 36.886 38.460 0.144 0.000 1.103 622 Y HN -0.204 nan 8.280 nan 0.000 0.522 623 I N 1.095 121.353 120.570 -0.520 0.000 2.226 623 I HA -0.215 3.960 4.170 0.008 0.000 0.245 623 I C 2.628 178.398 176.117 -0.578 0.000 1.100 623 I CA 1.642 62.613 61.300 -0.549 0.000 1.374 623 I CB -0.651 36.998 38.000 -0.585 0.000 1.057 623 I HN 0.517 nan 8.210 nan 0.000 0.413 624 G N 1.023 109.327 108.800 -0.828 0.000 2.421 624 G HA2 -0.202 3.764 3.960 0.008 0.000 0.216 624 G HA3 -0.202 3.764 3.960 0.008 0.000 0.216 624 G C 1.701 176.468 174.900 -0.223 0.000 1.171 624 G CA 0.451 45.255 45.100 -0.493 0.000 0.775 624 G HN 0.271 nan 8.290 nan 0.000 0.543 625 L N 0.577 121.765 121.223 -0.060 0.000 2.141 625 L HA -0.018 4.327 4.340 0.008 0.000 0.209 625 L C 3.333 180.381 176.870 0.295 0.000 1.094 625 L CA 0.840 55.800 54.840 0.199 0.000 0.763 625 L CB -0.265 41.978 42.059 0.308 0.000 0.908 625 L HN 0.331 nan 8.230 nan 0.000 0.437 626 A N -0.283 122.470 122.820 -0.112 0.000 1.929 626 A HA -0.025 4.300 4.320 0.008 0.000 0.216 626 A C 2.022 179.613 177.584 0.012 0.000 1.176 626 A CA 1.257 53.082 52.037 -0.354 0.000 0.628 626 A CB -0.125 18.126 19.000 -1.248 0.000 0.816 626 A HN 0.424 nan 8.150 nan 0.000 0.444 627 L N -3.127 118.004 121.223 -0.153 0.000 2.803 627 L HA 0.229 4.574 4.340 0.008 0.000 0.246 627 L C 0.778 177.334 176.870 -0.523 0.000 1.100 627 L CA 0.431 55.158 54.840 -0.189 0.000 0.919 627 L CB 0.005 41.955 42.059 -0.182 0.000 1.285 627 L HN 0.396 nan 8.230 nan 0.000 0.522 628 N N 0.944 119.256 118.700 -0.645 0.000 2.721 628 N HA -0.193 4.553 4.740 0.008 0.000 0.249 628 N C -0.317 174.920 175.510 -0.456 0.000 1.072 628 N CA 0.570 53.175 53.050 -0.742 0.000 0.710 628 N CB -1.082 36.481 38.487 -1.540 0.000 0.993 628 N HN 0.171 nan 8.380 nan 0.000 0.547 629 V N -0.296 119.431 119.914 -0.312 0.000 3.003 629 V HA 0.627 4.752 4.120 0.008 0.000 0.305 629 V C 1.676 177.656 176.094 -0.190 0.000 1.078 629 V CA 1.074 63.238 62.300 -0.227 0.000 1.083 629 V CB 0.767 32.508 31.823 -0.138 0.000 1.039 629 V HN 0.934 nan 8.190 nan 0.000 0.481 630 G N 4.837 113.488 108.800 -0.248 0.000 2.527 630 G HA2 -0.326 3.639 3.960 0.008 0.000 0.268 630 G HA3 -0.326 3.639 3.960 0.008 0.000 0.268 630 G C 0.176 174.987 174.900 -0.149 0.000 1.175 630 G CA 0.490 45.460 45.100 -0.217 0.000 0.962 630 G HN 1.281 nan 8.290 nan 0.000 0.560 631 N N 2.988 121.642 118.700 -0.076 0.000 2.739 631 N HA 0.304 5.049 4.740 0.008 0.000 0.266 631 N C 0.400 175.899 175.510 -0.018 0.000 1.168 631 N CA 0.883 53.909 53.050 -0.041 0.000 1.055 631 N CB -0.987 37.490 38.487 -0.016 0.000 1.393 631 N HN 0.600 nan 8.380 nan 0.000 0.514 632 E N 0.096 120.264 120.200 -0.053 0.000 2.149 632 E HA -0.255 4.100 4.350 0.008 0.000 0.191 632 E C 0.223 176.810 176.600 -0.022 0.000 1.384 632 E CA 0.849 57.214 56.400 -0.058 0.000 0.698 632 E CB -1.558 28.132 29.700 -0.016 0.000 1.086 632 E HN 0.739 nan 8.360 nan 0.000 0.338 633 T N -3.250 111.285 114.554 -0.032 0.000 3.113 633 T HA 0.161 4.516 4.350 0.008 0.000 0.263 633 T C 1.631 176.351 174.700 0.032 0.000 1.143 633 T CA 0.583 62.730 62.100 0.079 0.000 1.090 633 T CB 0.305 69.231 68.868 0.098 0.000 0.922 633 T HN 0.390 nan 8.240 nan 0.000 0.521 634 A N 0.991 123.762 122.820 -0.081 0.000 2.169 634 A HA 0.255 4.580 4.320 0.008 0.000 0.212 634 A C 1.046 178.678 177.584 0.080 0.000 1.153 634 A CA 0.034 52.053 52.037 -0.030 0.000 0.756 634 A CB -0.088 18.823 19.000 -0.147 0.000 0.813 634 A HN 0.481 nan 8.150 nan 0.000 0.471 635 K N -0.082 120.361 120.400 0.071 0.000 2.143 635 K HA 0.486 4.811 4.320 0.008 0.000 0.272 635 K C 0.724 177.392 176.600 0.112 0.000 1.001 635 K CA 0.331 56.676 56.287 0.096 0.000 0.915 635 K CB 1.110 33.654 32.500 0.073 0.000 1.047 635 K HN 0.468 nan 8.250 nan 0.000 0.458 636 G N 2.405 111.272 108.800 0.113 0.000 2.593 636 G HA2 -0.285 3.680 3.960 0.008 0.000 0.237 636 G HA3 -0.285 3.680 3.960 0.008 0.000 0.237 636 G C -0.692 174.288 174.900 0.134 0.000 1.312 636 G CA -0.636 44.529 45.100 0.109 0.000 0.896 636 G HN 0.697 nan 8.290 nan 0.000 0.574 637 N N 0.462 119.234 118.700 0.121 0.000 2.426 637 N HA 0.361 5.106 4.740 0.008 0.000 0.257 637 N C 1.121 176.727 175.510 0.159 0.000 1.002 637 N CA -0.112 53.020 53.050 0.136 0.000 0.942 637 N CB 0.788 39.334 38.487 0.097 0.000 1.112 637 N HN 0.496 nan 8.380 nan 0.000 0.499 638 F N 4.166 124.153 119.950 0.062 0.000 2.134 638 F HA -0.115 4.408 4.527 -0.006 0.000 0.299 638 F C 2.209 178.063 175.800 0.090 0.000 1.097 638 F CA 1.598 59.636 58.000 0.065 0.000 1.264 638 F CB -0.019 38.996 39.000 0.024 0.000 1.001 638 F HN 0.682 nan 8.300 nan 0.000 0.479 639 E N -0.018 120.165 120.200 -0.028 0.000 2.058 639 E HA -0.343 4.012 4.350 0.008 0.000 0.194 639 E C 2.069 178.632 176.600 -0.061 0.000 0.997 639 E CA 1.638 57.979 56.400 -0.098 0.000 0.801 639 E CB -0.416 29.281 29.700 -0.005 0.000 0.746 639 E HN 0.488 nan 8.360 nan 0.000 0.450 640 N N 0.103 118.793 118.700 -0.016 0.000 2.142 640 N HA -0.139 4.606 4.740 0.008 0.000 0.186 640 N C 1.619 177.112 175.510 -0.029 0.000 1.023 640 N CA 1.764 54.815 53.050 0.001 0.000 0.852 640 N CB -0.279 38.225 38.487 0.029 0.000 0.998 640 N HN 0.215 nan 8.380 nan 0.000 0.424 641 A N -0.739 122.050 122.820 -0.053 0.000 1.972 641 A HA -0.072 4.253 4.320 0.008 0.000 0.219 641 A C 2.104 179.626 177.584 -0.102 0.000 1.169 641 A CA 1.001 53.003 52.037 -0.058 0.000 0.635 641 A CB -1.043 17.950 19.000 -0.012 0.000 0.810 641 A HN 0.482 nan 8.150 nan 0.000 0.446 642 F N 0.908 120.634 119.950 -0.373 0.000 2.163 642 F HA -0.061 4.465 4.527 -0.001 0.000 0.297 642 F C 2.184 177.894 175.800 -0.150 0.000 1.094 642 F CA 1.829 59.634 58.000 -0.326 0.000 1.290 642 F CB -0.213 38.479 39.000 -0.512 0.000 1.017 642 F HN 0.355 nan 8.300 nan 0.000 0.483 643 E N 0.297 120.474 120.200 -0.038 0.000 2.160 643 E HA -0.226 4.129 4.350 0.008 0.000 0.195 643 E C 2.292 178.816 176.600 -0.127 0.000 0.991 643 E CA 1.706 58.068 56.400 -0.064 0.000 0.810 643 E CB -0.243 29.461 29.700 0.007 0.000 0.742 643 E HN 0.494 nan 8.360 nan 0.000 0.466 644 I N 0.374 120.874 120.570 -0.116 0.000 2.277 644 I HA -0.139 4.036 4.170 0.008 0.000 0.243 644 I C 2.228 178.259 176.117 -0.144 0.000 1.094 644 I CA 1.063 62.301 61.300 -0.104 0.000 1.393 644 I CB 0.007 37.965 38.000 -0.069 0.000 1.078 644 I HN 0.051 nan 8.210 nan 0.000 0.417 645 A N -0.169 122.542 122.820 -0.182 0.000 2.324 645 A HA 0.513 4.838 4.320 0.008 0.000 0.220 645 A C 1.238 178.655 177.584 -0.280 0.000 1.209 645 A CA 0.534 52.465 52.037 -0.176 0.000 0.918 645 A CB -0.189 18.754 19.000 -0.095 0.000 0.959 645 A HN 0.469 nan 8.150 nan 0.000 0.507 646 G N -0.833 107.622 108.800 -0.576 0.000 2.598 646 G HA2 0.058 4.024 3.960 0.008 0.000 0.244 646 G HA3 0.058 4.024 3.960 0.008 0.000 0.244 646 G C 1.225 175.848 174.900 -0.462 0.000 1.302 646 G CA 0.613 45.146 45.100 -0.945 0.000 0.903 646 G HN 1.478 nan 8.290 nan 0.000 0.575 647 A N -1.093 121.650 122.820 -0.130 0.000 1.958 647 A HA -0.023 4.302 4.320 0.008 0.000 0.221 647 A C 2.810 180.596 177.584 0.338 0.000 1.178 647 A CA 3.324 55.538 52.037 0.296 0.000 0.642 647 A CB -0.943 18.220 19.000 0.272 0.000 0.816 647 A HN 1.664 nan 8.150 nan 0.000 0.453 648 S N -0.147 115.695 115.700 0.237 0.000 2.387 648 S HA -0.226 4.249 4.470 0.008 0.000 0.230 648 S C 1.783 176.438 174.600 0.091 0.000 1.035 648 S CA 1.628 59.941 58.200 0.189 0.000 1.014 648 S CB -0.787 62.517 63.200 0.172 0.000 0.836 648 S HN 0.843 nan 8.310 nan 0.000 0.466 649 I N -1.188 119.452 120.570 0.116 0.000 2.756 649 I HA -0.033 4.142 4.170 0.008 0.000 0.262 649 I C 1.620 177.824 176.117 0.145 0.000 1.225 649 I CA 1.308 62.679 61.300 0.118 0.000 1.472 649 I CB -0.327 37.767 38.000 0.155 0.000 1.094 649 I HN 0.172 nan 8.210 nan 0.000 0.454 650 L N 0.870 122.220 121.223 0.212 0.000 2.446 650 L HA 0.216 4.561 4.340 0.008 0.000 0.219 650 L C 1.020 177.835 176.870 -0.091 0.000 1.116 650 L CA 0.035 54.975 54.840 0.167 0.000 0.844 650 L CB -0.033 42.262 42.059 0.395 0.000 0.970 650 L HN 0.210 nan 8.230 nan 0.000 0.457 651 L N 0.601 121.699 121.223 -0.207 0.000 2.410 651 L HA -0.038 4.307 4.340 0.008 0.000 0.273 651 L C 1.433 178.059 176.870 -0.407 0.000 1.152 651 L CA -0.069 54.522 54.840 -0.415 0.000 0.855 651 L CB 0.872 42.659 42.059 -0.452 0.000 1.129 651 L HN 0.027 nan 8.230 nan 0.000 0.463 652 E N 2.532 122.359 120.200 -0.621 0.000 2.208 652 E HA -0.066 4.290 4.350 0.008 0.000 0.193 652 E C -0.549 175.666 176.600 -0.642 0.000 0.988 652 E CA 0.860 56.712 56.400 -0.914 0.000 0.828 652 E CB 0.274 28.827 29.700 -1.912 0.000 0.763 652 E HN 0.386 nan 8.360 nan 0.000 0.478 653 F N 0.007 119.634 119.950 -0.539 0.000 2.588 653 F HA 0.360 4.896 4.527 0.014 0.000 0.314 653 F C -1.425 174.270 175.800 -0.174 0.000 1.134 653 F CA -1.244 56.618 58.000 -0.230 0.000 0.961 653 F CB 1.120 40.113 39.000 -0.013 0.000 1.239 653 F HN -0.299 nan 8.300 nan 0.000 0.448 654 I N 6.889 127.017 120.570 -0.736 0.000 2.301 654 I HA 0.277 4.452 4.170 0.008 0.000 0.292 654 I C -2.219 173.420 176.117 -0.795 0.000 1.046 654 I CA -2.223 58.757 61.300 -0.532 0.000 1.282 654 I CB 0.529 38.336 38.000 -0.321 0.000 1.409 654 I HN 0.396 nan 8.210 nan 0.000 0.484 655 P HA 0.181 nan 4.420 nan 0.000 0.275 655 P C -0.462 176.814 177.300 -0.041 0.000 1.228 655 P CA -0.346 62.724 63.100 -0.051 0.000 0.786 655 P CB 0.691 32.475 31.700 0.141 0.000 0.927 656 E N 1.928 122.156 120.200 0.047 0.000 2.044 656 E HA 0.207 4.562 4.350 0.008 0.000 0.282 656 E C -0.276 176.354 176.600 0.051 0.000 1.031 656 E CA -0.370 56.050 56.400 0.033 0.000 0.824 656 E CB 0.311 30.050 29.700 0.064 0.000 1.076 656 E HN 0.348 nan 8.360 nan 0.000 0.395 657 L N 3.243 124.472 121.223 0.009 0.000 2.418 657 L HA 0.233 4.578 4.340 0.008 0.000 0.265 657 L C -0.012 176.841 176.870 -0.028 0.000 1.143 657 L CA -0.734 54.090 54.840 -0.027 0.000 0.809 657 L CB 0.311 42.338 42.059 -0.053 0.000 1.124 657 L HN 0.350 nan 8.230 nan 0.000 0.456 658 L N 4.332 125.521 121.223 -0.056 0.000 2.255 658 L HA 0.441 4.786 4.340 0.008 0.000 0.289 658 L C -0.456 176.371 176.870 -0.071 0.000 1.046 658 L CA 0.455 55.280 54.840 -0.026 0.000 0.816 658 L CB 0.304 42.383 42.059 0.033 0.000 1.197 658 L HN 0.370 nan 8.230 nan 0.000 0.427 659 I N 7.202 127.734 120.570 -0.062 0.000 2.714 659 I HA 0.284 4.459 4.170 0.008 0.000 0.276 659 I C -2.159 173.911 176.117 -0.078 0.000 1.196 659 I CA -1.488 59.759 61.300 -0.089 0.000 1.068 659 I CB 1.036 38.978 38.000 -0.096 0.000 1.291 659 I HN 0.475 nan 8.210 nan 0.000 0.530 660 P HA 0.019 nan 4.420 nan 0.000 0.268 660 P C -0.190 177.061 177.300 -0.081 0.000 1.208 660 P CA -0.135 62.926 63.100 -0.064 0.000 0.777 660 P CB 0.721 32.385 31.700 -0.061 0.000 0.875 661 V N 3.553 123.436 119.914 -0.052 0.000 2.408 661 V HA 0.028 4.153 4.120 0.008 0.000 0.267 661 V C 0.405 176.469 176.094 -0.050 0.000 1.047 661 V CA -0.432 61.845 62.300 -0.039 0.000 0.937 661 V CB 0.923 32.742 31.823 -0.006 0.000 0.999 661 V HN 0.261 nan 8.190 nan 0.000 0.472 662 V N 5.416 125.269 119.914 -0.102 0.000 2.557 662 V HA 0.163 4.288 4.120 0.008 0.000 0.301 662 V C 1.353 177.445 176.094 -0.004 0.000 1.026 662 V CA 0.336 62.520 62.300 -0.193 0.000 1.137 662 V CB 0.378 31.812 31.823 -0.649 0.000 0.917 662 V HN 0.996 nan 8.190 nan 0.000 0.484 663 G N 3.631 112.445 108.800 0.023 0.000 2.559 663 G HA2 0.414 4.379 3.960 0.008 0.000 0.235 663 G HA3 0.414 4.379 3.960 0.008 0.000 0.235 663 G C 0.376 175.459 174.900 0.305 0.000 1.266 663 G CA 0.140 45.318 45.100 0.130 0.000 0.847 663 G HN 1.237 nan 8.290 nan 0.000 0.583 664 A N 0.619 123.602 122.820 0.272 0.000 2.346 664 A HA 0.608 4.933 4.320 0.008 0.000 0.252 664 A C -0.650 177.248 177.584 0.523 0.000 1.089 664 A CA -0.140 52.094 52.037 0.329 0.000 0.797 664 A CB 0.279 19.386 19.000 0.178 0.000 1.047 664 A HN 0.456 nan 8.150 nan 0.000 0.494 665 F N -0.160 119.855 119.950 0.109 0.000 2.420 665 F HA 0.456 4.988 4.527 0.009 0.000 0.342 665 F C 0.042 175.850 175.800 0.013 0.000 1.113 665 F CA -0.928 57.112 58.000 0.067 0.000 1.059 665 F CB 1.477 40.515 39.000 0.063 0.000 1.128 665 F HN 0.276 nan 8.300 nan 0.000 0.475 666 L N 6.009 127.290 121.223 0.096 0.000 2.371 666 L HA 0.299 4.644 4.340 0.008 0.000 0.262 666 L C -0.740 176.117 176.870 -0.021 0.000 1.054 666 L CA -0.708 54.154 54.840 0.037 0.000 0.924 666 L CB 0.297 42.365 42.059 0.015 0.000 1.295 666 L HN 0.267 nan 8.230 nan 0.000 0.441 667 L N 0.847 122.038 121.223 -0.053 0.000 2.433 667 L HA 0.278 4.624 4.340 0.008 0.000 0.275 667 L C 0.448 177.276 176.870 -0.071 0.000 1.128 667 L CA 0.368 55.105 54.840 -0.172 0.000 0.875 667 L CB -0.330 41.383 42.059 -0.577 0.000 1.171 667 L HN 0.641 nan 8.230 nan 0.000 0.463 668 E N 2.184 122.365 120.200 -0.031 0.000 2.384 668 E HA 0.088 4.443 4.350 0.008 0.000 0.266 668 E C -0.342 176.202 176.600 -0.093 0.000 1.012 668 E CA -0.116 56.230 56.400 -0.090 0.000 0.901 668 E CB 0.879 30.480 29.700 -0.165 0.000 0.967 668 E HN 0.694 nan 8.360 nan 0.000 0.435 669 S N 3.398 119.013 115.700 -0.142 0.000 2.525 669 S HA 0.278 4.753 4.470 0.008 0.000 0.278 669 S C -1.306 173.063 174.600 -0.384 0.000 1.234 669 S CA -0.488 57.675 58.200 -0.061 0.000 1.058 669 S CB 0.265 63.470 63.200 0.009 0.000 0.983 669 S HN 0.474 nan 8.310 nan 0.000 0.495 670 Y N 5.073 125.386 120.300 0.022 0.000 2.747 670 Y HA 0.321 4.876 4.550 0.008 0.000 0.362 670 Y C 0.059 175.819 175.900 -0.233 0.000 1.026 670 Y CA -1.293 56.764 58.100 -0.070 0.000 1.135 670 Y CB -0.367 38.068 38.460 -0.042 0.000 1.175 670 Y HN 0.568 nan 8.280 nan 0.000 0.643 671 I N -0.877 119.547 120.570 -0.244 0.000 2.906 671 I HA -0.014 4.161 4.170 0.008 0.000 0.302 671 I C 1.094 176.832 176.117 -0.631 0.000 1.220 671 I CA 0.151 61.068 61.300 -0.639 0.000 1.441 671 I CB 0.082 37.835 38.000 -0.412 0.000 1.336 671 I HN 0.583 nan 8.210 nan 0.000 0.565 672 D N 1.950 121.665 120.400 -1.142 0.000 2.884 672 D HA -0.288 4.357 4.640 0.008 0.000 0.186 672 D C 0.420 176.637 176.300 -0.138 0.000 1.520 672 D CA 1.870 55.660 54.000 -0.351 0.000 1.997 672 D CB -1.009 39.715 40.800 -0.126 0.000 1.362 672 D HN 0.853 nan 8.370 nan 0.000 0.474 673 N N 0.721 119.334 118.700 -0.145 0.000 2.431 673 N HA 0.035 4.781 4.740 0.008 0.000 0.265 673 N C 1.276 176.760 175.510 -0.042 0.000 1.184 673 N CA 0.972 53.978 53.050 -0.074 0.000 0.943 673 N CB 0.755 39.197 38.487 -0.075 0.000 1.080 673 N HN 0.598 nan 8.380 nan 0.000 0.477 674 K N 2.988 123.383 120.400 -0.009 0.000 2.211 674 K HA 0.056 4.382 4.320 0.008 0.000 0.201 674 K C 1.069 177.675 176.600 0.010 0.000 1.052 674 K CA 0.456 56.762 56.287 0.033 0.000 0.973 674 K CB 0.080 32.615 32.500 0.059 0.000 0.766 674 K HN 0.193 nan 8.250 nan 0.000 0.466 675 N N 1.403 120.081 118.700 -0.036 0.000 2.084 675 N HA -0.092 4.653 4.740 0.008 0.000 0.190 675 N C 1.413 176.867 175.510 -0.093 0.000 1.030 675 N CA 1.553 54.573 53.050 -0.051 0.000 0.849 675 N CB 0.025 38.466 38.487 -0.077 0.000 1.012 675 N HN 0.238 nan 8.380 nan 0.000 0.423 676 K N 0.018 120.278 120.400 -0.233 0.000 2.097 676 K HA -0.035 4.290 4.320 0.008 0.000 0.205 676 K C 1.683 178.190 176.600 -0.154 0.000 1.050 676 K CA 0.672 56.709 56.287 -0.418 0.000 0.938 676 K CB -0.051 31.803 32.500 -1.077 0.000 0.718 676 K HN 0.156 nan 8.250 nan 0.000 0.442 677 I N 1.576 122.162 120.570 0.027 0.000 2.163 677 I HA -0.273 3.902 4.170 0.008 0.000 0.243 677 I C 2.312 178.575 176.117 0.245 0.000 1.085 677 I CA 1.554 63.009 61.300 0.257 0.000 1.347 677 I CB -0.875 37.241 38.000 0.193 0.000 1.044 677 I HN 0.161 nan 8.210 nan 0.000 0.408 678 I N 0.595 121.250 120.570 0.141 0.000 2.179 678 I HA -0.315 3.860 4.170 0.008 0.000 0.242 678 I C 2.531 178.717 176.117 0.114 0.000 1.088 678 I CA 1.374 62.752 61.300 0.129 0.000 1.357 678 I CB -0.445 37.614 38.000 0.099 0.000 1.051 678 I HN 0.203 nan 8.210 nan 0.000 0.409 679 K N 0.343 120.796 120.400 0.088 0.000 2.032 679 K HA -0.169 4.156 4.320 0.008 0.000 0.209 679 K C 2.116 178.777 176.600 0.101 0.000 1.048 679 K CA 2.059 58.399 56.287 0.087 0.000 0.927 679 K CB -0.428 32.129 32.500 0.095 0.000 0.712 679 K HN 0.319 nan 8.250 nan 0.000 0.441 680 T N 1.879 116.514 114.554 0.135 0.000 2.665 680 T HA -0.157 4.198 4.350 0.008 0.000 0.268 680 T C 1.923 176.667 174.700 0.073 0.000 1.035 680 T CA 1.403 63.583 62.100 0.134 0.000 1.151 680 T CB -0.280 68.728 68.868 0.234 0.000 0.862 680 T HN 0.151 nan 8.240 nan 0.000 0.438 681 I N 1.401 122.037 120.570 0.110 0.000 2.127 681 I HA -0.225 3.950 4.170 0.008 0.000 0.241 681 I C 2.326 178.485 176.117 0.070 0.000 1.075 681 I CA 1.473 62.825 61.300 0.087 0.000 1.334 681 I CB -0.486 37.596 38.000 0.136 0.000 1.040 681 I HN 0.155 nan 8.210 nan 0.000 0.405 682 D N 0.703 121.145 120.400 0.070 0.000 2.144 682 D HA -0.157 4.488 4.640 0.008 0.000 0.199 682 D C 1.863 178.207 176.300 0.073 0.000 0.984 682 D CA 1.261 55.296 54.000 0.059 0.000 0.834 682 D CB -0.628 40.205 40.800 0.054 0.000 0.955 682 D HN 0.445 nan 8.370 nan 0.000 0.465 683 N N 0.342 119.085 118.700 0.072 0.000 2.166 683 N HA -0.110 4.635 4.740 0.008 0.000 0.186 683 N C 1.770 177.349 175.510 0.115 0.000 1.019 683 N CA 0.875 53.967 53.050 0.071 0.000 0.856 683 N CB 0.016 38.526 38.487 0.038 0.000 0.993 683 N HN 0.099 nan 8.380 nan 0.000 0.426 684 A N 1.374 124.279 122.820 0.142 0.000 1.930 684 A HA -0.073 4.252 4.320 0.008 0.000 0.217 684 A C 2.156 179.932 177.584 0.320 0.000 1.175 684 A CA 0.916 53.137 52.037 0.307 0.000 0.627 684 A CB -0.578 18.580 19.000 0.264 0.000 0.815 684 A HN 0.144 nan 8.150 nan 0.000 0.443 685 L N -0.161 121.162 121.223 0.166 0.000 1.994 685 L HA -0.179 4.167 4.340 0.008 0.000 0.208 685 L C 3.095 180.052 176.870 0.145 0.000 1.071 685 L CA 1.972 56.882 54.840 0.117 0.000 0.745 685 L CB -1.221 40.871 42.059 0.054 0.000 0.892 685 L HN 0.634 nan 8.230 nan 0.000 0.431 686 T N -2.236 112.399 114.554 0.135 0.000 2.788 686 T HA -0.245 4.110 4.350 0.008 0.000 0.268 686 T C 1.857 176.681 174.700 0.206 0.000 1.044 686 T CA 1.437 63.623 62.100 0.143 0.000 1.139 686 T CB -0.241 68.697 68.868 0.116 0.000 0.867 686 T HN 0.013 nan 8.240 nan 0.000 0.454 687 K N 1.598 122.141 120.400 0.238 0.000 2.097 687 K HA 0.010 4.336 4.320 0.008 0.000 0.206 687 K C 2.537 179.382 176.600 0.407 0.000 1.049 687 K CA 0.923 57.377 56.287 0.278 0.000 0.933 687 K CB -0.495 32.150 32.500 0.243 0.000 0.717 687 K HN 0.301 nan 8.250 nan 0.000 0.442 688 R N 0.843 121.613 120.500 0.451 0.000 2.105 688 R HA -0.130 4.215 4.340 0.008 0.000 0.239 688 R C 1.226 177.766 176.300 0.400 0.000 1.135 688 R CA 1.754 58.125 56.100 0.451 0.000 0.967 688 R CB -0.613 29.871 30.300 0.307 0.000 0.861 688 R HN 0.326 nan 8.270 nan 0.000 0.442 689 N N 1.096 119.962 118.700 0.277 0.000 2.188 689 N HA -0.179 4.566 4.740 0.008 0.000 0.184 689 N C 1.641 177.349 175.510 0.330 0.000 1.018 689 N CA 1.154 54.350 53.050 0.244 0.000 0.858 689 N CB -0.265 38.320 38.487 0.163 0.000 0.989 689 N HN 0.491 nan 8.380 nan 0.000 0.426 690 E N 1.109 121.487 120.200 0.297 0.000 2.153 690 E HA -0.156 4.199 4.350 0.008 0.000 0.194 690 E C 1.215 177.860 176.600 0.074 0.000 0.988 690 E CA 0.890 57.371 56.400 0.135 0.000 0.811 690 E CB 0.264 29.912 29.700 -0.087 0.000 0.746 690 E HN 0.089 nan 8.360 nan 0.000 0.466 691 K N -0.029 120.442 120.400 0.118 0.000 2.062 691 K HA -0.141 4.184 4.320 0.008 0.000 0.205 691 K C 1.727 178.293 176.600 -0.057 0.000 1.051 691 K CA 0.996 57.262 56.287 -0.035 0.000 0.941 691 K CB -0.588 31.796 32.500 -0.193 0.000 0.719 691 K HN 0.288 nan 8.250 nan 0.000 0.440 692 W N 1.508 122.730 121.300 -0.130 0.000 2.379 692 W HA -0.097 4.569 4.660 0.009 0.000 0.307 692 W C 2.836 179.182 176.519 -0.289 0.000 1.200 692 W CA 1.643 58.824 57.345 -0.274 0.000 1.297 692 W CB -0.926 28.420 29.460 -0.190 0.000 1.140 692 W HN 0.057 nan 8.180 nan 0.000 0.507 693 S N 0.036 115.901 115.700 0.275 0.000 2.353 693 S HA -0.214 4.262 4.470 0.008 0.000 0.222 693 S C 1.543 176.331 174.600 0.314 0.000 1.035 693 S CA 2.046 60.517 58.200 0.452 0.000 1.025 693 S CB -0.570 62.979 63.200 0.582 0.000 0.902 693 S HN 0.112 nan 8.310 nan 0.000 0.440 694 D N 0.635 121.114 120.400 0.132 0.000 2.144 694 D HA -0.088 4.557 4.640 0.008 0.000 0.199 694 D C 1.818 178.088 176.300 -0.049 0.000 0.984 694 D CA 1.066 55.087 54.000 0.034 0.000 0.834 694 D CB -0.377 40.400 40.800 -0.039 0.000 0.955 694 D HN 0.394 nan 8.370 nan 0.000 0.465 695 M N -0.663 118.859 119.600 -0.130 0.000 2.099 695 M HA -0.133 4.352 4.480 0.008 0.000 0.262 695 M C 1.770 177.998 176.300 -0.119 0.000 1.067 695 M CA 1.494 56.676 55.300 -0.197 0.000 1.124 695 M CB -0.717 31.663 32.600 -0.367 0.000 1.353 695 M HN 0.132 nan 8.290 nan 0.000 0.410 696 Y N -0.660 119.562 120.300 -0.129 0.000 2.165 696 Y HA -0.184 4.370 4.550 0.008 0.000 0.286 696 Y C 2.347 177.930 175.900 -0.528 0.000 1.155 696 Y CA 0.578 58.545 58.100 -0.221 0.000 1.164 696 Y CB -0.831 37.697 38.460 0.114 0.000 0.978 696 Y HN 0.440 nan 8.280 nan 0.000 0.513 697 G N 0.136 108.627 108.800 -0.515 0.000 2.442 697 G HA2 -0.290 3.675 3.960 0.008 0.000 0.219 697 G HA3 -0.290 3.675 3.960 0.008 0.000 0.219 697 G C 1.517 176.309 174.900 -0.180 0.000 1.141 697 G CA 0.982 45.762 45.100 -0.534 0.000 0.763 697 G HN 0.306 nan 8.290 nan 0.000 0.554 698 L N 0.740 121.890 121.223 -0.121 0.000 2.046 698 L HA 0.010 4.355 4.340 0.008 0.000 0.208 698 L C 2.499 179.274 176.870 -0.157 0.000 1.077 698 L CA 1.302 56.086 54.840 -0.093 0.000 0.747 698 L CB -0.401 41.603 42.059 -0.091 0.000 0.896 698 L HN 0.094 nan 8.230 nan 0.000 0.432 699 I N -0.920 119.555 120.570 -0.158 0.000 2.142 699 I HA -0.229 3.947 4.170 0.008 0.000 0.240 699 I C 2.608 178.680 176.117 -0.075 0.000 1.078 699 I CA 1.275 62.478 61.300 -0.162 0.000 1.343 699 I CB -1.320 36.552 38.000 -0.212 0.000 1.046 699 I HN 0.106 nan 8.210 nan 0.000 0.405 700 V N 1.520 121.404 119.914 -0.050 0.000 2.287 700 V HA -0.307 3.818 4.120 0.008 0.000 0.248 700 V C 2.859 179.078 176.094 0.208 0.000 1.053 700 V CA 1.964 64.364 62.300 0.167 0.000 1.027 700 V CB -1.184 30.736 31.823 0.161 0.000 0.646 700 V HN 0.481 nan 8.190 nan 0.000 0.447 701 A N -0.857 122.020 122.820 0.095 0.000 1.883 701 A HA -0.314 4.011 4.320 0.008 0.000 0.217 701 A C 2.173 179.810 177.584 0.089 0.000 1.186 701 A CA 2.158 54.278 52.037 0.138 0.000 0.624 701 A CB -0.496 18.621 19.000 0.195 0.000 0.822 701 A HN 0.656 nan 8.150 nan 0.000 0.444 702 Q N -2.226 117.474 119.800 -0.167 0.000 2.119 702 Q HA -0.203 4.142 4.340 0.008 0.000 0.201 702 Q C 1.934 177.957 176.000 0.039 0.000 0.972 702 Q CA 1.492 57.112 55.803 -0.305 0.000 0.847 702 Q CB -0.286 28.095 28.738 -0.595 0.000 0.903 702 Q HN 0.902 nan 8.270 nan 0.000 0.433 703 W N 1.610 122.871 121.300 -0.066 0.000 2.335 703 W HA -0.178 4.484 4.660 0.002 0.000 0.311 703 W C 1.457 178.007 176.519 0.053 0.000 1.213 703 W CA 1.290 58.648 57.345 0.021 0.000 1.274 703 W CB -0.401 29.070 29.460 0.019 0.000 1.148 703 W HN 0.015 nan 8.180 nan 0.000 0.498 704 L N 0.930 122.057 121.223 -0.160 0.000 2.131 704 L HA -0.186 4.159 4.340 0.008 0.000 0.210 704 L C 2.502 179.212 176.870 -0.267 0.000 1.092 704 L CA 1.848 56.458 54.840 -0.383 0.000 0.759 704 L CB -0.955 40.997 42.059 -0.179 0.000 0.903 704 L HN 0.178 nan 8.230 nan 0.000 0.435 705 S N -3.226 112.415 115.700 -0.098 0.000 2.540 705 S HA 0.023 4.498 4.470 0.008 0.000 0.218 705 S C 1.354 176.020 174.600 0.110 0.000 0.977 705 S CA 0.323 58.483 58.200 -0.065 0.000 0.918 705 S CB 0.145 63.377 63.200 0.053 0.000 0.806 705 S HN 0.498 nan 8.310 nan 0.000 0.496 706 T N -2.698 111.905 114.554 0.082 0.000 3.010 706 T HA 0.334 4.689 4.350 0.008 0.000 0.253 706 T C 1.230 175.961 174.700 0.053 0.000 0.939 706 T CA 0.487 62.657 62.100 0.116 0.000 0.910 706 T CB -0.005 68.960 68.868 0.162 0.000 1.226 706 T HN 0.129 nan 8.240 nan 0.000 0.508 707 V N 1.574 121.489 119.914 0.002 0.000 2.854 707 V HA 0.265 4.390 4.120 0.008 0.000 0.236 707 V C 2.461 178.537 176.094 -0.031 0.000 1.157 707 V CA 0.976 63.255 62.300 -0.035 0.000 1.187 707 V CB -0.427 31.503 31.823 0.178 0.000 0.949 707 V HN 0.374 nan 8.190 nan 0.000 0.488 708 N N 1.039 119.618 118.700 -0.202 0.000 2.289 708 N HA -0.166 4.579 4.740 0.008 0.000 0.184 708 N C 1.833 177.343 175.510 0.001 0.000 1.016 708 N CA 1.959 54.912 53.050 -0.163 0.000 0.872 708 N CB -0.095 37.980 38.487 -0.688 0.000 0.973 708 N HN 0.676 nan 8.380 nan 0.000 0.433 709 T N -2.254 112.284 114.554 -0.026 0.000 2.777 709 T HA -0.121 4.234 4.350 0.008 0.000 0.266 709 T C 1.737 176.562 174.700 0.208 0.000 1.040 709 T CA 0.982 63.136 62.100 0.090 0.000 1.141 709 T CB -0.452 68.484 68.868 0.113 0.000 0.868 709 T HN 0.240 nan 8.240 nan 0.000 0.444 710 Q N 0.178 120.058 119.800 0.132 0.000 2.084 710 Q HA 0.022 4.367 4.340 0.008 0.000 0.202 710 Q C 2.035 178.065 176.000 0.051 0.000 0.978 710 Q CA 1.425 57.329 55.803 0.169 0.000 0.844 710 Q CB -0.406 28.277 28.738 -0.092 0.000 0.898 710 Q HN 0.605 nan 8.270 nan 0.000 0.426 711 F N -0.896 119.125 119.950 0.119 0.000 2.365 711 F HA -0.201 4.326 4.527 0.001 0.000 0.300 711 F C 2.106 177.959 175.800 0.089 0.000 1.090 711 F CA 0.601 58.649 58.000 0.080 0.000 1.408 711 F CB -0.052 38.979 39.000 0.052 0.000 1.060 711 F HN 0.165 nan 8.300 nan 0.000 0.534 712 Y N 0.880 121.267 120.300 0.145 0.000 2.184 712 Y HA -0.188 4.366 4.550 0.008 0.000 0.290 712 Y C 2.395 178.311 175.900 0.027 0.000 1.129 712 Y CA 1.900 60.043 58.100 0.073 0.000 1.144 712 Y CB -0.953 37.529 38.460 0.036 0.000 0.995 712 Y HN -0.115 nan 8.280 nan 0.000 0.513 713 T N 1.528 116.019 114.554 -0.104 0.000 2.759 713 T HA -0.185 4.170 4.350 0.008 0.000 0.269 713 T C 1.986 176.517 174.700 -0.281 0.000 1.042 713 T CA 2.037 63.939 62.100 -0.331 0.000 1.140 713 T CB -0.422 68.120 68.868 -0.544 0.000 0.864 713 T HN 0.379 nan 8.240 nan 0.000 0.455 714 I N 0.497 121.006 120.570 -0.103 0.000 2.252 714 I HA -0.142 4.033 4.170 0.008 0.000 0.245 714 I C 2.557 178.653 176.117 -0.035 0.000 1.102 714 I CA 1.215 62.498 61.300 -0.029 0.000 1.385 714 I CB -0.258 37.808 38.000 0.109 0.000 1.064 714 I HN 0.187 nan 8.210 nan 0.000 0.414 715 K N 0.458 120.838 120.400 -0.034 0.000 2.057 715 K HA -0.166 4.159 4.320 0.008 0.000 0.207 715 K C 2.032 178.586 176.600 -0.077 0.000 1.049 715 K CA 1.109 57.381 56.287 -0.025 0.000 0.931 715 K CB -0.089 32.407 32.500 -0.006 0.000 0.714 715 K HN 0.238 nan 8.250 nan 0.000 0.440 716 E N 0.079 120.138 120.200 -0.235 0.000 2.106 716 E HA -0.112 4.244 4.350 0.008 0.000 0.192 716 E C 2.165 178.728 176.600 -0.062 0.000 0.984 716 E CA 1.100 57.382 56.400 -0.197 0.000 0.806 716 E CB -0.325 29.145 29.700 -0.385 0.000 0.750 716 E HN 0.447 nan 8.360 nan 0.000 0.458 717 G N 0.984 109.724 108.800 -0.100 0.000 2.418 717 G HA2 -0.229 3.736 3.960 0.008 0.000 0.217 717 G HA3 -0.229 3.736 3.960 0.008 0.000 0.217 717 G C 1.524 176.411 174.900 -0.023 0.000 1.158 717 G CA 0.671 45.735 45.100 -0.059 0.000 0.771 717 G HN 0.119 nan 8.290 nan 0.000 0.545 718 M N -0.629 118.964 119.600 -0.012 0.000 2.229 718 M HA 0.067 4.552 4.480 0.008 0.000 0.264 718 M C 2.215 178.549 176.300 0.057 0.000 1.063 718 M CA 0.450 55.754 55.300 0.006 0.000 1.114 718 M CB -1.021 31.598 32.600 0.032 0.000 1.387 718 M HN 0.410 nan 8.290 nan 0.000 0.420 719 Y N 1.352 121.626 120.300 -0.044 0.000 2.200 719 Y HA -0.179 4.375 4.550 0.007 0.000 0.290 719 Y C 2.175 178.014 175.900 -0.102 0.000 1.137 719 Y CA 1.788 59.862 58.100 -0.044 0.000 1.163 719 Y CB -0.102 38.324 38.460 -0.057 0.000 0.988 719 Y HN 0.157 nan 8.280 nan 0.000 0.518 720 K N -0.214 120.111 120.400 -0.124 0.000 2.097 720 K HA -0.102 4.223 4.320 0.008 0.000 0.205 720 K C 2.339 178.669 176.600 -0.449 0.000 1.050 720 K CA 1.001 57.051 56.287 -0.395 0.000 0.938 720 K CB -0.331 32.008 32.500 -0.268 0.000 0.718 720 K HN 0.367 nan 8.250 nan 0.000 0.442 721 A N 1.553 124.319 122.820 -0.090 0.000 1.877 721 A HA -0.136 4.189 4.320 0.008 0.000 0.216 721 A C 2.141 179.839 177.584 0.190 0.000 1.186 721 A CA 1.274 53.411 52.037 0.167 0.000 0.620 721 A CB -0.684 18.384 19.000 0.113 0.000 0.822 721 A HN 0.149 nan 8.150 nan 0.000 0.443 722 L N -0.242 121.034 121.223 0.088 0.000 2.083 722 L HA -0.188 4.157 4.340 0.008 0.000 0.209 722 L C 2.396 179.270 176.870 0.008 0.000 1.083 722 L CA 1.106 56.004 54.840 0.098 0.000 0.752 722 L CB -0.557 41.562 42.059 0.099 0.000 0.899 722 L HN 0.429 nan 8.230 nan 0.000 0.433 723 N N -0.578 117.985 118.700 -0.228 0.000 2.188 723 N HA -0.190 4.555 4.740 0.008 0.000 0.184 723 N C 1.917 177.374 175.510 -0.088 0.000 1.018 723 N CA 1.382 54.258 53.050 -0.290 0.000 0.858 723 N CB -0.187 37.976 38.487 -0.539 0.000 0.989 723 N HN 0.426 nan 8.380 nan 0.000 0.426 724 Y N 1.471 121.753 120.300 -0.030 0.000 2.224 724 Y HA -0.167 4.387 4.550 0.007 0.000 0.289 724 Y C 2.613 178.542 175.900 0.048 0.000 1.146 724 Y CA 0.501 58.614 58.100 0.023 0.000 1.182 724 Y CB 0.157 38.652 38.460 0.058 0.000 0.983 724 Y HN 0.063 nan 8.280 nan 0.000 0.524 725 Q N -0.013 119.892 119.800 0.174 0.000 2.050 725 Q HA -0.171 4.174 4.340 0.008 0.000 0.202 725 Q C 2.571 178.727 176.000 0.259 0.000 0.980 725 Q CA 1.391 57.255 55.803 0.101 0.000 0.840 725 Q CB -0.712 27.895 28.738 -0.220 0.000 0.898 725 Q HN 0.521 nan 8.270 nan 0.000 0.424 726 A N 0.906 123.847 122.820 0.202 0.000 1.902 726 A HA -0.227 4.098 4.320 0.008 0.000 0.217 726 A C 2.121 179.728 177.584 0.039 0.000 1.181 726 A CA 1.569 53.564 52.037 -0.071 0.000 0.623 726 A CB -0.517 18.362 19.000 -0.201 0.000 0.818 726 A HN 0.393 nan 8.150 nan 0.000 0.443 727 Q N -0.613 119.243 119.800 0.093 0.000 2.084 727 Q HA -0.105 4.240 4.340 0.008 0.000 0.202 727 Q C 2.417 178.580 176.000 0.272 0.000 0.978 727 Q CA 1.473 57.384 55.803 0.181 0.000 0.844 727 Q CB -0.403 28.450 28.738 0.192 0.000 0.898 727 Q HN 0.693 nan 8.270 nan 0.000 0.426 728 A N 0.764 123.746 122.820 0.271 0.000 1.877 728 A HA -0.181 4.145 4.320 0.008 0.000 0.216 728 A C 2.025 179.681 177.584 0.121 0.000 1.186 728 A CA 1.266 53.422 52.037 0.198 0.000 0.620 728 A CB -0.661 18.430 19.000 0.152 0.000 0.822 728 A HN 0.371 nan 8.150 nan 0.000 0.443 729 L N 0.090 121.404 121.223 0.152 0.000 2.083 729 L HA -0.122 4.223 4.340 0.008 0.000 0.209 729 L C 2.000 178.952 176.870 0.136 0.000 1.083 729 L CA 2.408 57.330 54.840 0.137 0.000 0.752 729 L CB -0.724 41.419 42.059 0.139 0.000 0.899 729 L HN 0.513 nan 8.230 nan 0.000 0.433 730 E N -0.783 119.510 120.200 0.155 0.000 2.106 730 E HA -0.242 4.114 4.350 0.008 0.000 0.192 730 E C 2.016 178.765 176.600 0.248 0.000 0.984 730 E CA 1.058 57.588 56.400 0.215 0.000 0.806 730 E CB 0.001 29.860 29.700 0.266 0.000 0.750 730 E HN 0.504 nan 8.360 nan 0.000 0.458 731 E N 0.944 121.266 120.200 0.203 0.000 2.077 731 E HA -0.153 4.202 4.350 0.008 0.000 0.193 731 E C 1.766 178.458 176.600 0.152 0.000 0.989 731 E CA 1.067 57.559 56.400 0.154 0.000 0.800 731 E CB -0.114 29.578 29.700 -0.014 0.000 0.746 731 E HN 0.236 nan 8.360 nan 0.000 0.452 732 I N 0.241 120.890 120.570 0.133 0.000 2.179 732 I HA -0.261 3.914 4.170 0.008 0.000 0.242 732 I C 2.323 178.660 176.117 0.367 0.000 1.088 732 I CA 1.071 62.491 61.300 0.200 0.000 1.357 732 I CB -0.317 37.794 38.000 0.184 0.000 1.051 732 I HN 0.162 nan 8.210 nan 0.000 0.409 733 I N 0.759 121.579 120.570 0.417 0.000 2.194 733 I HA -0.334 3.841 4.170 0.008 0.000 0.246 733 I C 2.525 179.004 176.117 0.604 0.000 1.093 733 I CA 1.638 63.275 61.300 0.562 0.000 1.355 733 I CB -0.421 37.785 38.000 0.343 0.000 1.046 733 I HN 0.219 nan 8.210 nan 0.000 0.413 734 K N -0.157 120.540 120.400 0.495 0.000 2.025 734 K HA -0.229 4.096 4.320 0.008 0.000 0.207 734 K C 2.232 179.014 176.600 0.303 0.000 1.049 734 K CA 1.648 58.197 56.287 0.438 0.000 0.933 734 K CB -0.450 32.220 32.500 0.284 0.000 0.714 734 K HN 0.202 nan 8.250 nan 0.000 0.438 735 Y N 2.132 122.514 120.300 0.137 0.000 2.128 735 Y HA -0.252 4.303 4.550 0.009 0.000 0.284 735 Y C 2.155 178.018 175.900 -0.062 0.000 1.154 735 Y CA 1.541 59.653 58.100 0.019 0.000 1.149 735 Y CB 0.077 38.524 38.460 -0.020 0.000 0.976 735 Y HN -0.069 nan 8.280 nan 0.000 0.505 736 R N -0.827 119.674 120.500 0.001 0.000 2.096 736 R HA -0.214 4.131 4.340 0.008 0.000 0.235 736 R C 2.139 178.033 176.300 -0.677 0.000 1.127 736 R CA 1.689 57.620 56.100 -0.281 0.000 0.968 736 R CB -1.627 28.685 30.300 0.021 0.000 0.861 736 R HN 0.535 nan 8.270 nan 0.000 0.440 737 Y N 2.125 122.162 120.300 -0.438 0.000 2.242 737 Y HA -0.060 4.495 4.550 0.008 0.000 0.291 737 Y C 1.535 177.227 175.900 -0.347 0.000 1.137 737 Y CA 1.212 59.041 58.100 -0.450 0.000 1.181 737 Y CB -0.237 38.324 38.460 0.169 0.000 0.989 737 Y HN -0.001 nan 8.280 nan 0.000 0.527 738 N N 0.229 118.724 118.700 -0.342 0.000 2.515 738 N HA -0.065 4.680 4.740 0.008 0.000 0.185 738 N C 1.523 176.741 175.510 -0.486 0.000 1.109 738 N CA 0.552 53.365 53.050 -0.394 0.000 0.903 738 N CB 0.024 38.380 38.487 -0.217 0.000 0.969 738 N HN 0.377 nan 8.380 nan 0.000 0.450 739 I N 0.335 120.491 120.570 -0.690 0.000 2.761 739 I HA -0.096 4.079 4.170 0.008 0.000 0.261 739 I C 0.561 176.395 176.117 -0.472 0.000 1.198 739 I CA 0.408 61.327 61.300 -0.635 0.000 1.482 739 I CB -0.671 36.873 38.000 -0.759 0.000 1.100 739 I HN 0.026 nan 8.210 nan 0.000 0.445 740 Y N 1.277 121.353 120.300 -0.372 0.000 2.299 740 Y HA 0.094 4.649 4.550 0.009 0.000 0.335 740 Y C 1.596 177.329 175.900 -0.278 0.000 1.287 740 Y CA -0.780 57.129 58.100 -0.319 0.000 1.424 740 Y CB 0.507 38.742 38.460 -0.376 0.000 1.326 740 Y HN 0.011 nan 8.280 nan 0.000 0.567 741 S N 0.148 115.836 115.700 -0.020 0.000 2.634 741 S HA 0.081 4.556 4.470 0.008 0.000 0.261 741 S C 0.798 175.345 174.600 -0.088 0.000 1.271 741 S CA -0.782 57.377 58.200 -0.067 0.000 0.985 741 S CB 1.061 64.231 63.200 -0.050 0.000 0.968 741 S HN 0.689 nan 8.310 nan 0.000 0.568 742 E N 0.793 120.946 120.200 -0.078 0.000 2.106 742 E HA -0.136 4.219 4.350 0.008 0.000 0.192 742 E C 1.861 178.432 176.600 -0.049 0.000 0.984 742 E CA 1.138 57.497 56.400 -0.068 0.000 0.806 742 E CB -0.349 29.322 29.700 -0.048 0.000 0.750 742 E HN 0.803 nan 8.360 nan 0.000 0.458 743 K N 1.147 121.520 120.400 -0.045 0.000 2.057 743 K HA -0.168 4.157 4.320 0.008 0.000 0.207 743 K C 1.905 178.477 176.600 -0.048 0.000 1.049 743 K CA 1.445 57.709 56.287 -0.037 0.000 0.931 743 K CB 0.091 32.570 32.500 -0.035 0.000 0.714 743 K HN 0.050 nan 8.250 nan 0.000 0.440 744 E N 0.460 120.616 120.200 -0.074 0.000 2.047 744 E HA -0.167 4.189 4.350 0.008 0.000 0.191 744 E C 2.025 178.565 176.600 -0.100 0.000 0.987 744 E CA 1.235 57.563 56.400 -0.120 0.000 0.799 744 E CB 0.051 29.637 29.700 -0.190 0.000 0.752 744 E HN 0.264 nan 8.360 nan 0.000 0.449 745 K N 0.594 120.941 120.400 -0.089 0.000 2.113 745 K HA -0.127 4.198 4.320 0.008 0.000 0.208 745 K C 2.316 178.977 176.600 0.102 0.000 1.047 745 K CA 1.340 57.619 56.287 -0.013 0.000 0.928 745 K CB -0.119 32.286 32.500 -0.159 0.000 0.716 745 K HN -0.051 nan 8.250 nan 0.000 0.446 746 S N 1.228 116.954 115.700 0.042 0.000 2.419 746 S HA -0.069 4.406 4.470 0.008 0.000 0.235 746 S C 1.169 175.801 174.600 0.052 0.000 1.019 746 S CA 1.002 59.234 58.200 0.054 0.000 0.982 746 S CB -0.113 63.101 63.200 0.023 0.000 0.789 746 S HN 0.316 nan 8.310 nan 0.000 0.490 747 N N 0.529 119.248 118.700 0.033 0.000 2.230 747 N HA 0.271 5.016 4.740 0.008 0.000 0.202 747 N C -0.327 175.211 175.510 0.046 0.000 1.119 747 N CA 0.117 53.182 53.050 0.025 0.000 0.851 747 N CB 0.456 38.939 38.487 -0.006 0.000 0.990 747 N HN 0.379 nan 8.380 nan 0.000 0.497 748 I N 1.229 121.860 120.570 0.101 0.000 2.315 748 I HA 0.078 4.253 4.170 0.008 0.000 0.291 748 I C 0.534 176.740 176.117 0.148 0.000 1.006 748 I CA -0.333 61.063 61.300 0.161 0.000 1.265 748 I CB 0.859 39.051 38.000 0.321 0.000 1.387 748 I HN -0.084 nan 8.210 nan 0.000 0.475 749 N N 7.954 126.709 118.700 0.093 0.000 2.663 749 N HA 0.254 4.999 4.740 0.008 0.000 0.250 749 N C -1.008 174.507 175.510 0.007 0.000 1.129 749 N CA -0.319 52.758 53.050 0.046 0.000 0.995 749 N CB 0.396 38.894 38.487 0.020 0.000 1.324 749 N HN 0.359 nan 8.380 nan 0.000 0.512 750 I N 1.852 122.417 120.570 -0.009 0.000 2.647 750 I HA 0.234 4.409 4.170 0.008 0.000 0.295 750 I C -0.741 175.300 176.117 -0.125 0.000 1.078 750 I CA -0.644 60.575 61.300 -0.135 0.000 1.048 750 I CB 1.968 39.821 38.000 -0.245 0.000 1.239 750 I HN 0.418 nan 8.210 nan 0.000 0.421 751 D N 4.693 124.976 120.400 -0.194 0.000 2.389 751 D HA 0.306 4.951 4.640 0.008 0.000 0.256 751 D C 0.530 176.727 176.300 -0.172 0.000 1.239 751 D CA -0.414 53.525 54.000 -0.103 0.000 0.925 751 D CB 0.544 41.299 40.800 -0.075 0.000 1.145 751 D HN 0.211 nan 8.370 nan 0.000 0.542 752 F N 1.652 121.527 119.950 -0.125 0.000 2.202 752 F HA -0.155 4.377 4.527 0.008 0.000 0.301 752 F C 2.070 177.760 175.800 -0.184 0.000 1.082 752 F CA 0.903 58.816 58.000 -0.144 0.000 1.313 752 F CB -0.160 38.772 39.000 -0.115 0.000 1.024 752 F HN 0.392 nan 8.300 nan 0.000 0.495 753 N N -0.246 118.456 118.700 0.003 0.000 2.244 753 N HA -0.189 4.556 4.740 0.008 0.000 0.183 753 N C 1.725 177.151 175.510 -0.139 0.000 1.016 753 N CA 1.334 54.333 53.050 -0.086 0.000 0.866 753 N CB -0.506 37.955 38.487 -0.043 0.000 0.980 753 N HN 0.370 nan 8.380 nan 0.000 0.430 754 D N 1.224 121.549 120.400 -0.125 0.000 2.162 754 D HA 0.002 4.647 4.640 0.008 0.000 0.203 754 D C 2.053 178.250 176.300 -0.172 0.000 0.967 754 D CA 0.232 54.154 54.000 -0.130 0.000 0.840 754 D CB 0.224 40.956 40.800 -0.113 0.000 0.972 754 D HN 0.169 nan 8.370 nan 0.000 0.482 755 I N 1.046 121.480 120.570 -0.226 0.000 2.127 755 I HA -0.297 3.878 4.170 0.008 0.000 0.241 755 I C 2.061 178.026 176.117 -0.253 0.000 1.075 755 I CA 0.947 62.094 61.300 -0.254 0.000 1.334 755 I CB -0.316 37.485 38.000 -0.332 0.000 1.040 755 I HN -0.017 nan 8.210 nan 0.000 0.405 756 N N 0.179 118.651 118.700 -0.380 0.000 2.188 756 N HA -0.166 4.580 4.740 0.008 0.000 0.184 756 N C 1.953 177.220 175.510 -0.405 0.000 1.018 756 N CA 1.390 53.991 53.050 -0.749 0.000 0.858 756 N CB -0.462 37.072 38.487 -1.589 0.000 0.989 756 N HN 0.224 nan 8.380 nan 0.000 0.426 757 S N 0.745 116.296 115.700 -0.249 0.000 2.356 757 S HA -0.070 4.405 4.470 0.008 0.000 0.223 757 S C 1.731 176.321 174.600 -0.017 0.000 1.032 757 S CA 1.169 59.317 58.200 -0.086 0.000 1.005 757 S CB 0.031 63.187 63.200 -0.074 0.000 0.867 757 S HN 0.237 nan 8.310 nan 0.000 0.449 758 K N 0.378 120.747 120.400 -0.051 0.000 2.097 758 K HA 0.056 4.381 4.320 0.008 0.000 0.205 758 K C 2.123 178.738 176.600 0.025 0.000 1.050 758 K CA 1.250 57.526 56.287 -0.018 0.000 0.938 758 K CB -0.278 32.189 32.500 -0.055 0.000 0.718 758 K HN 0.380 nan 8.250 nan 0.000 0.442 759 L N 0.749 121.966 121.223 -0.009 0.000 2.056 759 L HA -0.193 4.152 4.340 0.008 0.000 0.207 759 L C 2.274 179.226 176.870 0.137 0.000 1.078 759 L CA 1.165 55.978 54.840 -0.044 0.000 0.749 759 L CB -0.534 41.427 42.059 -0.163 0.000 0.901 759 L HN 0.245 nan 8.230 nan 0.000 0.433 760 N N 0.214 119.070 118.700 0.260 0.000 2.120 760 N HA -0.259 4.486 4.740 0.008 0.000 0.188 760 N C 1.788 177.410 175.510 0.186 0.000 1.024 760 N CA 1.366 54.581 53.050 0.275 0.000 0.852 760 N CB 0.047 38.778 38.487 0.406 0.000 1.003 760 N HN 0.154 nan 8.380 nan 0.000 0.424 761 E N -0.369 119.919 120.200 0.147 0.000 2.077 761 E HA -0.037 4.318 4.350 0.008 0.000 0.193 761 E C 1.915 178.594 176.600 0.132 0.000 0.989 761 E CA 1.647 58.118 56.400 0.119 0.000 0.800 761 E CB -1.008 28.741 29.700 0.081 0.000 0.746 761 E HN 0.441 nan 8.360 nan 0.000 0.452 762 G N 0.766 109.663 108.800 0.161 0.000 2.418 762 G HA2 -0.229 3.736 3.960 0.008 0.000 0.217 762 G HA3 -0.229 3.736 3.960 0.008 0.000 0.217 762 G C 1.734 176.759 174.900 0.208 0.000 1.158 762 G CA 0.978 46.189 45.100 0.185 0.000 0.771 762 G HN 0.333 nan 8.290 nan 0.000 0.545 763 I N 0.922 121.646 120.570 0.257 0.000 2.179 763 I HA -0.180 3.995 4.170 0.008 0.000 0.242 763 I C 2.522 178.752 176.117 0.187 0.000 1.088 763 I CA 0.879 62.316 61.300 0.227 0.000 1.357 763 I CB -0.283 37.822 38.000 0.176 0.000 1.051 763 I HN 0.094 nan 8.210 nan 0.000 0.409 764 N N 0.823 119.627 118.700 0.173 0.000 2.104 764 N HA -0.209 4.536 4.740 0.008 0.000 0.190 764 N C 1.843 177.434 175.510 0.135 0.000 1.024 764 N CA 1.348 54.494 53.050 0.161 0.000 0.853 764 N CB -0.323 38.249 38.487 0.141 0.000 1.008 764 N HN 0.503 nan 8.380 nan 0.000 0.424 765 Q N 0.442 120.313 119.800 0.119 0.000 2.050 765 Q HA -0.000 4.345 4.340 0.008 0.000 0.202 765 Q C 2.175 178.235 176.000 0.100 0.000 0.980 765 Q CA 1.525 57.384 55.803 0.094 0.000 0.840 765 Q CB -0.185 28.598 28.738 0.075 0.000 0.898 765 Q HN 0.385 nan 8.270 nan 0.000 0.424 766 A N 1.247 124.142 122.820 0.125 0.000 1.883 766 A HA -0.193 4.132 4.320 0.008 0.000 0.217 766 A C 2.044 179.714 177.584 0.144 0.000 1.186 766 A CA 1.217 53.341 52.037 0.145 0.000 0.624 766 A CB -0.582 18.542 19.000 0.207 0.000 0.822 766 A HN 0.257 nan 8.150 nan 0.000 0.444 767 I N 0.772 121.441 120.570 0.165 0.000 2.208 767 I HA -0.232 3.943 4.170 0.008 0.000 0.245 767 I C 1.835 178.029 176.117 0.130 0.000 1.097 767 I CA 1.703 63.105 61.300 0.171 0.000 1.363 767 I CB -1.502 36.629 38.000 0.218 0.000 1.051 767 I HN 0.334 nan 8.210 nan 0.000 0.413 768 D N 0.772 121.240 120.400 0.113 0.000 2.117 768 D HA -0.159 4.486 4.640 0.008 0.000 0.197 768 D C 1.883 178.235 176.300 0.088 0.000 0.987 768 D CA 1.012 55.069 54.000 0.094 0.000 0.829 768 D CB -0.344 40.505 40.800 0.082 0.000 0.961 768 D HN 0.356 nan 8.370 nan 0.000 0.460 769 N N 0.813 119.559 118.700 0.077 0.000 2.084 769 N HA -0.078 4.667 4.740 0.008 0.000 0.190 769 N C 2.201 177.765 175.510 0.090 0.000 1.030 769 N CA 0.449 53.535 53.050 0.061 0.000 0.849 769 N CB -0.251 38.247 38.487 0.018 0.000 1.012 769 N HN 0.276 nan 8.380 nan 0.000 0.423 770 I N 1.459 122.084 120.570 0.092 0.000 2.226 770 I HA -0.252 3.923 4.170 0.008 0.000 0.245 770 I C 1.570 177.782 176.117 0.158 0.000 1.100 770 I CA 0.944 62.321 61.300 0.129 0.000 1.374 770 I CB -0.238 37.827 38.000 0.108 0.000 1.057 770 I HN 0.071 nan 8.210 nan 0.000 0.413 771 N N 0.948 119.721 118.700 0.122 0.000 2.166 771 N HA -0.146 4.599 4.740 0.008 0.000 0.186 771 N C 1.563 177.132 175.510 0.099 0.000 1.019 771 N CA 1.106 54.219 53.050 0.105 0.000 0.856 771 N CB -0.484 38.061 38.487 0.096 0.000 0.993 771 N HN 0.332 nan 8.380 nan 0.000 0.426 772 N N 0.235 119.002 118.700 0.112 0.000 2.142 772 N HA -0.110 4.635 4.740 0.008 0.000 0.186 772 N C 1.590 177.175 175.510 0.124 0.000 1.023 772 N CA 0.470 53.585 53.050 0.108 0.000 0.852 772 N CB -0.473 38.075 38.487 0.103 0.000 0.998 772 N HN 0.193 nan 8.380 nan 0.000 0.424 773 F N 2.367 122.313 119.950 -0.007 0.000 2.102 773 F HA -0.111 4.415 4.527 -0.002 0.000 0.298 773 F C 2.077 177.854 175.800 -0.038 0.000 1.105 773 F CA 1.055 59.034 58.000 -0.034 0.000 1.239 773 F CB -0.319 38.631 39.000 -0.083 0.000 0.991 773 F HN -0.127 nan 8.300 nan 0.000 0.474 774 I N 0.843 121.299 120.570 -0.190 0.000 2.226 774 I HA -0.291 3.884 4.170 0.008 0.000 0.245 774 I C 2.040 177.951 176.117 -0.344 0.000 1.100 774 I CA 1.213 62.311 61.300 -0.336 0.000 1.374 774 I CB -1.662 36.311 38.000 -0.045 0.000 1.057 774 I HN 0.226 nan 8.210 nan 0.000 0.413 775 N N 1.288 119.917 118.700 -0.118 0.000 2.166 775 N HA -0.117 4.628 4.740 0.008 0.000 0.186 775 N C 1.996 177.483 175.510 -0.039 0.000 1.019 775 N CA 1.508 54.538 53.050 -0.033 0.000 0.856 775 N CB -0.628 37.901 38.487 0.070 0.000 0.993 775 N HN 0.424 nan 8.380 nan 0.000 0.426 776 G N 0.382 109.152 108.800 -0.049 0.000 2.418 776 G HA2 -0.230 3.735 3.960 0.008 0.000 0.217 776 G HA3 -0.230 3.735 3.960 0.008 0.000 0.217 776 G C 1.901 176.774 174.900 -0.045 0.000 1.158 776 G CA 0.905 46.032 45.100 0.046 0.000 0.771 776 G HN 0.351 nan 8.290 nan 0.000 0.545 777 C N 0.084 119.190 119.300 -0.324 0.000 2.429 777 C HA -0.011 4.454 4.460 0.008 0.000 0.277 777 C C 3.337 178.078 174.990 -0.415 0.000 1.262 777 C CA 1.306 60.090 59.018 -0.391 0.000 1.733 777 C CB -0.822 26.495 27.740 -0.704 0.000 2.010 777 C HN 0.470 nan 8.230 nan 0.000 0.483 778 S N 0.291 115.614 115.700 -0.628 0.000 2.356 778 S HA -0.138 4.337 4.470 0.008 0.000 0.223 778 S C 1.819 176.582 174.600 0.270 0.000 1.032 778 S CA 1.903 60.034 58.200 -0.115 0.000 1.005 778 S CB -0.182 63.061 63.200 0.070 0.000 0.867 778 S HN 0.412 nan 8.310 nan 0.000 0.449 779 V N 1.078 121.036 119.914 0.073 0.000 2.515 779 V HA -0.074 4.051 4.120 0.008 0.000 0.250 779 V C 2.641 178.450 176.094 -0.475 0.000 1.058 779 V CA 1.835 64.000 62.300 -0.226 0.000 1.064 779 V CB -0.931 30.731 31.823 -0.269 0.000 0.675 779 V HN 0.602 nan 8.190 nan 0.000 0.461 780 S N -0.789 114.773 115.700 -0.230 0.000 2.359 780 S HA -0.284 4.191 4.470 0.008 0.000 0.224 780 S C 2.017 176.554 174.600 -0.106 0.000 1.035 780 S CA 1.994 60.145 58.200 -0.082 0.000 1.018 780 S CB -0.465 62.806 63.200 0.118 0.000 0.876 780 S HN 0.651 nan 8.310 nan 0.000 0.448 781 Y N 1.494 121.741 120.300 -0.088 0.000 2.165 781 Y HA -0.095 4.453 4.550 -0.003 0.000 0.286 781 Y C 2.112 177.922 175.900 -0.150 0.000 1.155 781 Y CA 1.801 59.882 58.100 -0.031 0.000 1.164 781 Y CB -0.506 38.068 38.460 0.189 0.000 0.978 781 Y HN 0.381 nan 8.280 nan 0.000 0.513 782 L N -0.375 120.726 121.223 -0.204 0.000 1.989 782 L HA -0.259 4.087 4.340 0.008 0.000 0.211 782 L C 2.020 178.602 176.870 -0.480 0.000 1.071 782 L CA 2.056 56.558 54.840 -0.563 0.000 0.749 782 L CB -0.743 40.567 42.059 -1.247 0.000 0.890 782 L HN 0.186 nan 8.230 nan 0.000 0.431 783 M N -0.709 118.641 119.600 -0.417 0.000 2.200 783 M HA -0.118 4.367 4.480 0.008 0.000 0.265 783 M C 2.206 178.401 176.300 -0.176 0.000 1.066 783 M CA 1.633 56.777 55.300 -0.259 0.000 1.127 783 M CB -0.981 31.507 32.600 -0.186 0.000 1.379 783 M HN 0.308 nan 8.290 nan 0.000 0.420 784 K N -0.575 119.651 120.400 -0.291 0.000 2.276 784 K HA 0.043 4.368 4.320 0.008 0.000 0.198 784 K C 1.637 178.023 176.600 -0.357 0.000 1.052 784 K CA 0.375 56.427 56.287 -0.392 0.000 0.984 784 K CB 0.483 32.631 32.500 -0.587 0.000 0.836 784 K HN 0.036 nan 8.250 nan 0.000 0.490 785 K N -0.214 119.883 120.400 -0.504 0.000 2.355 785 K HA 0.258 4.583 4.320 0.008 0.000 0.198 785 K C 1.375 177.686 176.600 -0.481 0.000 1.039 785 K CA 0.472 56.393 56.287 -0.610 0.000 1.075 785 K CB 0.700 32.470 32.500 -1.216 0.000 0.870 785 K HN 0.152 nan 8.250 nan 0.000 0.540 786 M N -0.663 118.706 119.600 -0.385 0.000 2.902 786 M HA 0.153 4.638 4.480 0.008 0.000 0.225 786 M C 1.552 177.714 176.300 -0.230 0.000 1.711 786 M CA 0.105 55.247 55.300 -0.263 0.000 1.213 786 M CB 0.070 32.539 32.600 -0.218 0.000 1.265 786 M HN -0.177 nan 8.290 nan 0.000 0.577 787 I N 1.428 121.825 120.570 -0.288 0.000 2.151 787 I HA -0.191 3.984 4.170 0.008 0.000 0.243 787 I C -0.572 175.482 176.117 -0.104 0.000 1.080 787 I CA 2.160 63.302 61.300 -0.264 0.000 1.339 787 I CB -2.337 35.430 38.000 -0.387 0.000 1.039 787 I HN 0.119 nan 8.210 nan 0.000 0.409 788 P HA -0.131 nan 4.420 nan 0.000 0.216 788 P C 2.192 179.470 177.300 -0.036 0.000 1.150 788 P CA 1.228 64.327 63.100 -0.002 0.000 0.837 788 P CB -0.023 31.708 31.700 0.051 0.000 0.786 789 L N -1.536 119.642 121.223 -0.075 0.000 2.141 789 L HA -0.123 4.222 4.340 0.008 0.000 0.209 789 L C 2.372 179.182 176.870 -0.099 0.000 1.094 789 L CA 1.385 56.176 54.840 -0.081 0.000 0.763 789 L CB -1.031 40.971 42.059 -0.095 0.000 0.908 789 L HN -0.017 nan 8.230 nan 0.000 0.437 790 A N -0.258 122.495 122.820 -0.113 0.000 1.897 790 A HA -0.089 4.236 4.320 0.008 0.000 0.215 790 A C 2.322 179.779 177.584 -0.211 0.000 1.181 790 A CA 1.111 53.055 52.037 -0.155 0.000 0.620 790 A CB -0.660 18.268 19.000 -0.120 0.000 0.821 790 A HN 0.142 nan 8.150 nan 0.000 0.443 791 V N 0.394 120.236 119.914 -0.120 0.000 2.392 791 V HA -0.316 3.809 4.120 0.008 0.000 0.249 791 V C 2.517 178.530 176.094 -0.136 0.000 1.059 791 V CA 2.454 64.678 62.300 -0.127 0.000 1.051 791 V CB -0.727 31.139 31.823 0.073 0.000 0.658 791 V HN 0.794 nan 8.190 nan 0.000 0.455 792 E N 0.067 120.217 120.200 -0.083 0.000 2.038 792 E HA -0.260 4.095 4.350 0.008 0.000 0.195 792 E C 2.324 178.873 176.600 -0.086 0.000 1.000 792 E CA 1.343 57.710 56.400 -0.055 0.000 0.803 792 E CB -0.035 29.641 29.700 -0.040 0.000 0.750 792 E HN 0.403 nan 8.360 nan 0.000 0.448 793 K N 0.404 120.728 120.400 -0.128 0.000 2.063 793 K HA -0.144 4.181 4.320 0.008 0.000 0.208 793 K C 2.320 178.818 176.600 -0.171 0.000 1.048 793 K CA 1.000 57.209 56.287 -0.131 0.000 0.928 793 K CB -0.444 31.962 32.500 -0.156 0.000 0.713 793 K HN 0.315 nan 8.250 nan 0.000 0.442 794 L N 0.591 121.595 121.223 -0.366 0.000 2.093 794 L HA -0.135 4.210 4.340 0.008 0.000 0.208 794 L C 2.463 179.228 176.870 -0.176 0.000 1.085 794 L CA 0.813 55.295 54.840 -0.596 0.000 0.755 794 L CB -0.446 40.626 42.059 -1.645 0.000 0.904 794 L HN 0.085 nan 8.230 nan 0.000 0.435 795 L N -0.440 120.746 121.223 -0.063 0.000 2.056 795 L HA -0.210 4.136 4.340 0.008 0.000 0.207 795 L C 2.317 179.237 176.870 0.084 0.000 1.078 795 L CA 1.104 56.031 54.840 0.144 0.000 0.749 795 L CB -0.526 41.611 42.059 0.130 0.000 0.901 795 L HN 0.281 nan 8.230 nan 0.000 0.433 796 D N 0.156 120.576 120.400 0.034 0.000 2.117 796 D HA -0.275 4.370 4.640 0.008 0.000 0.197 796 D C 2.021 178.340 176.300 0.032 0.000 0.987 796 D CA 1.248 55.263 54.000 0.024 0.000 0.829 796 D CB -0.076 40.732 40.800 0.013 0.000 0.961 796 D HN 0.224 nan 8.370 nan 0.000 0.460 797 F N 1.261 121.161 119.950 -0.083 0.000 2.095 797 F HA -0.156 4.376 4.527 0.008 0.000 0.298 797 F C 1.809 177.567 175.800 -0.070 0.000 1.104 797 F CA 1.692 59.632 58.000 -0.100 0.000 1.232 797 F CB -0.480 38.428 39.000 -0.153 0.000 0.987 797 F HN -0.139 nan 8.300 nan 0.000 0.475 798 D N 0.109 120.439 120.400 -0.117 0.000 2.104 798 D HA -0.243 4.402 4.640 0.008 0.000 0.194 798 D C 2.157 178.328 176.300 -0.215 0.000 0.994 798 D CA 1.492 55.393 54.000 -0.165 0.000 0.830 798 D CB -0.798 40.090 40.800 0.147 0.000 0.959 798 D HN 0.481 nan 8.370 nan 0.000 0.452 799 N N -0.280 118.350 118.700 -0.115 0.000 2.043 799 N HA -0.150 4.595 4.740 0.008 0.000 0.193 799 N C 1.496 176.916 175.510 -0.150 0.000 1.037 799 N CA 1.697 54.690 53.050 -0.096 0.000 0.851 799 N CB 0.087 38.547 38.487 -0.045 0.000 1.027 799 N HN 0.047 nan 8.380 nan 0.000 0.422 800 T N 1.772 116.214 114.554 -0.186 0.000 2.665 800 T HA -0.171 4.184 4.350 0.008 0.000 0.268 800 T C 1.868 176.407 174.700 -0.268 0.000 1.035 800 T CA 1.039 63.026 62.100 -0.188 0.000 1.151 800 T CB -0.360 68.412 68.868 -0.161 0.000 0.862 800 T HN 0.180 nan 8.240 nan 0.000 0.438 801 L N 1.426 122.350 121.223 -0.499 0.000 2.083 801 L HA 0.038 4.383 4.340 0.008 0.000 0.209 801 L C 2.341 179.050 176.870 -0.268 0.000 1.083 801 L CA 1.846 56.380 54.840 -0.511 0.000 0.752 801 L CB -0.601 40.919 42.059 -0.899 0.000 0.899 801 L HN 0.122 nan 8.230 nan 0.000 0.433 802 K N -0.268 120.000 120.400 -0.221 0.000 2.032 802 K HA -0.292 4.033 4.320 0.008 0.000 0.209 802 K C 2.339 178.895 176.600 -0.073 0.000 1.048 802 K CA 2.059 58.274 56.287 -0.120 0.000 0.927 802 K CB -0.209 32.234 32.500 -0.094 0.000 0.712 802 K HN 0.324 nan 8.250 nan 0.000 0.441 803 K N 0.602 120.958 120.400 -0.075 0.000 2.026 803 K HA -0.198 4.127 4.320 0.008 0.000 0.208 803 K C 2.170 178.761 176.600 -0.015 0.000 1.048 803 K CA 1.624 57.889 56.287 -0.037 0.000 0.929 803 K CB -0.208 32.269 32.500 -0.039 0.000 0.713 803 K HN 0.172 nan 8.250 nan 0.000 0.439 804 N N 1.073 119.751 118.700 -0.037 0.000 2.018 804 N HA -0.201 4.544 4.740 0.008 0.000 0.196 804 N C 1.888 177.428 175.510 0.050 0.000 1.043 804 N CA 1.641 54.692 53.050 0.001 0.000 0.856 804 N CB -0.251 38.213 38.487 -0.038 0.000 1.042 804 N HN 0.191 nan 8.380 nan 0.000 0.423 805 L N 0.794 122.028 121.223 0.018 0.000 1.994 805 L HA -0.167 4.178 4.340 0.008 0.000 0.208 805 L C 2.608 179.551 176.870 0.122 0.000 1.071 805 L CA 0.874 55.758 54.840 0.072 0.000 0.745 805 L CB -0.619 41.450 42.059 0.018 0.000 0.892 805 L HN 0.186 nan 8.230 nan 0.000 0.431 806 L N -0.160 121.098 121.223 0.059 0.000 1.997 806 L HA -0.307 4.038 4.340 0.008 0.000 0.216 806 L C 2.394 179.309 176.870 0.075 0.000 1.074 806 L CA 1.905 56.777 54.840 0.054 0.000 0.763 806 L CB -0.836 41.236 42.059 0.021 0.000 0.890 806 L HN 0.401 nan 8.230 nan 0.000 0.434 807 N N -0.403 118.344 118.700 0.078 0.000 2.061 807 N HA -0.304 4.441 4.740 0.008 0.000 0.193 807 N C 1.927 177.509 175.510 0.121 0.000 1.030 807 N CA 1.557 54.656 53.050 0.082 0.000 0.856 807 N CB -0.387 38.147 38.487 0.079 0.000 1.023 807 N HN 0.313 nan 8.380 nan 0.000 0.424 808 Y N 0.717 121.040 120.300 0.038 0.000 2.207 808 Y HA -0.138 4.417 4.550 0.009 0.000 0.287 808 Y C 1.916 177.856 175.900 0.067 0.000 1.156 808 Y CA 1.434 59.569 58.100 0.059 0.000 1.182 808 Y CB -0.203 38.297 38.460 0.068 0.000 0.979 808 Y HN 0.149 nan 8.280 nan 0.000 0.521 809 I N 0.118 120.762 120.570 0.124 0.000 2.361 809 I HA -0.271 3.904 4.170 0.008 0.000 0.251 809 I C 2.262 178.372 176.117 -0.011 0.000 1.133 809 I CA 1.668 62.996 61.300 0.046 0.000 1.413 809 I CB -1.204 36.839 38.000 0.072 0.000 1.073 809 I HN 0.378 nan 8.210 nan 0.000 0.424 810 D N 1.280 121.679 120.400 -0.001 0.000 2.091 810 D HA -0.171 4.475 4.640 0.008 0.000 0.199 810 D C 1.833 178.110 176.300 -0.040 0.000 0.980 810 D CA 1.080 55.071 54.000 -0.014 0.000 0.831 810 D CB 0.181 40.983 40.800 0.003 0.000 0.987 810 D HN 0.388 nan 8.370 nan 0.000 0.460 811 E N -0.046 120.129 120.200 -0.041 0.000 2.267 811 E HA -0.108 4.247 4.350 0.008 0.000 0.197 811 E C 1.069 177.643 176.600 -0.043 0.000 0.998 811 E CA 0.528 56.904 56.400 -0.039 0.000 0.830 811 E CB 0.043 29.730 29.700 -0.022 0.000 0.751 811 E HN 0.281 nan 8.360 nan 0.000 0.491 812 N N 0.726 119.370 118.700 -0.093 0.000 2.204 812 N HA 0.003 4.748 4.740 0.008 0.000 0.219 812 N C 1.064 176.575 175.510 0.002 0.000 1.151 812 N CA 0.089 53.155 53.050 0.026 0.000 0.867 812 N CB 0.574 38.966 38.487 -0.158 0.000 1.043 812 N HN 0.252 nan 8.380 nan 0.000 0.516 813 K N 1.164 121.522 120.400 -0.070 0.000 2.209 813 K HA -0.073 4.252 4.320 0.008 0.000 0.204 813 K C 1.708 178.222 176.600 -0.143 0.000 1.048 813 K CA 0.942 57.188 56.287 -0.068 0.000 0.940 813 K CB -0.499 31.967 32.500 -0.057 0.000 0.729 813 K HN 0.182 nan 8.250 nan 0.000 0.451 814 L N -2.332 118.698 121.223 -0.322 0.000 2.675 814 L HA 0.115 4.460 4.340 0.008 0.000 0.238 814 L C 0.471 176.934 176.870 -0.678 0.000 1.155 814 L CA 0.513 55.042 54.840 -0.518 0.000 0.881 814 L CB -0.566 41.087 42.059 -0.676 0.000 1.008 814 L HN 0.072 nan 8.230 nan 0.000 0.443 815 Y N -1.457 118.830 120.300 -0.022 0.000 2.666 815 Y HA 0.342 4.897 4.550 0.008 0.000 0.260 815 Y C 1.543 177.441 175.900 -0.003 0.000 1.089 815 Y CA -0.447 57.646 58.100 -0.013 0.000 1.246 815 Y CB 0.487 38.937 38.460 -0.016 0.000 1.353 815 Y HN 0.001 nan 8.280 nan 0.000 0.558 816 L N 1.225 122.504 121.223 0.093 0.000 2.640 816 L HA 0.137 4.482 4.340 0.008 0.000 0.230 816 L C 1.531 178.432 176.870 0.052 0.000 1.123 816 L CA 0.101 54.988 54.840 0.079 0.000 0.900 816 L CB -0.310 41.789 42.059 0.068 0.000 1.146 816 L HN 0.298 nan 8.230 nan 0.000 0.484 817 I N -1.124 119.461 120.570 0.025 0.000 4.896 817 I HA -0.411 3.765 4.170 0.008 0.000 0.039 817 I C 1.386 177.514 176.117 0.018 0.000 0.635 817 I CA 1.786 63.093 61.300 0.012 0.000 0.257 817 I CB -1.663 36.348 38.000 0.019 0.000 0.345 817 I HN 0.231 nan 8.210 nan 0.000 0.151 818 G N -0.038 108.777 108.800 0.025 0.000 3.562 818 G HA2 0.516 4.481 3.960 0.008 0.000 0.279 818 G HA3 0.516 4.481 3.960 0.008 0.000 0.279 818 G C 0.467 175.398 174.900 0.053 0.000 1.314 818 G CA 0.546 45.661 45.100 0.026 0.000 1.189 818 G HN 0.594 nan 8.290 nan 0.000 0.562 819 S N -0.765 114.983 115.700 0.079 0.000 2.820 819 S HA 0.229 4.704 4.470 0.008 0.000 0.265 819 S C 2.009 176.683 174.600 0.124 0.000 1.043 819 S CA 0.299 58.585 58.200 0.144 0.000 1.245 819 S CB 0.684 63.989 63.200 0.174 0.000 1.187 819 S HN 0.464 nan 8.310 nan 0.000 0.673 820 A N 1.257 124.122 122.820 0.075 0.000 2.178 820 A HA -0.068 4.257 4.320 0.008 0.000 0.218 820 A C 1.823 179.440 177.584 0.055 0.000 1.157 820 A CA 1.837 53.905 52.037 0.051 0.000 0.689 820 A CB -0.235 18.778 19.000 0.021 0.000 0.787 820 A HN 0.423 nan 8.150 nan 0.000 0.465 821 E N -1.990 118.258 120.200 0.080 0.000 2.175 821 E HA -0.014 4.341 4.350 0.008 0.000 0.195 821 E C 1.674 178.345 176.600 0.118 0.000 0.934 821 E CA 0.517 56.966 56.400 0.081 0.000 0.870 821 E CB -0.536 29.211 29.700 0.078 0.000 0.838 821 E HN 0.457 nan 8.360 nan 0.000 0.474 822 Y N 1.896 122.208 120.300 0.021 0.000 2.207 822 Y HA -0.142 4.413 4.550 0.009 0.000 0.287 822 Y C 1.683 177.602 175.900 0.031 0.000 1.156 822 Y CA 1.976 60.090 58.100 0.024 0.000 1.182 822 Y CB 0.074 38.548 38.460 0.023 0.000 0.979 822 Y HN 0.077 nan 8.280 nan 0.000 0.521 823 E N 0.370 120.530 120.200 -0.067 0.000 2.072 823 E HA -0.157 4.198 4.350 0.008 0.000 0.190 823 E C 2.093 178.634 176.600 -0.099 0.000 0.982 823 E CA 1.119 57.439 56.400 -0.133 0.000 0.803 823 E CB -0.235 29.471 29.700 0.009 0.000 0.755 823 E HN 0.532 nan 8.360 nan 0.000 0.453 824 K N 0.973 121.352 120.400 -0.035 0.000 2.097 824 K HA -0.095 4.231 4.320 0.008 0.000 0.206 824 K C 2.425 178.999 176.600 -0.044 0.000 1.049 824 K CA 1.485 57.760 56.287 -0.020 0.000 0.933 824 K CB -0.134 32.369 32.500 0.005 0.000 0.717 824 K HN 0.093 nan 8.250 nan 0.000 0.442 825 S N 1.495 117.163 115.700 -0.054 0.000 2.356 825 S HA -0.210 4.266 4.470 0.008 0.000 0.223 825 S C 2.046 176.591 174.600 -0.092 0.000 1.032 825 S CA 1.315 59.486 58.200 -0.048 0.000 1.005 825 S CB -0.256 62.940 63.200 -0.007 0.000 0.867 825 S HN 0.242 nan 8.310 nan 0.000 0.449 826 K N 0.884 121.169 120.400 -0.190 0.000 2.103 826 K HA -0.071 4.255 4.320 0.008 0.000 0.207 826 K C 1.971 178.505 176.600 -0.110 0.000 1.048 826 K CA 1.585 57.756 56.287 -0.193 0.000 0.930 826 K CB -0.361 31.944 32.500 -0.325 0.000 0.716 826 K HN 0.353 nan 8.250 nan 0.000 0.444 827 V N 1.582 121.442 119.914 -0.090 0.000 2.307 827 V HA -0.232 3.893 4.120 0.008 0.000 0.245 827 V C 1.781 177.844 176.094 -0.051 0.000 1.045 827 V CA 2.066 64.332 62.300 -0.057 0.000 1.024 827 V CB -0.719 31.083 31.823 -0.035 0.000 0.651 827 V HN 0.441 nan 8.190 nan 0.000 0.449 828 N N 0.767 119.441 118.700 -0.045 0.000 2.043 828 N HA -0.245 4.500 4.740 0.008 0.000 0.193 828 N C 1.864 177.352 175.510 -0.037 0.000 1.037 828 N CA 1.768 54.797 53.050 -0.035 0.000 0.851 828 N CB -0.222 38.251 38.487 -0.023 0.000 1.027 828 N HN 0.630 nan 8.380 nan 0.000 0.422 829 K N -0.212 120.164 120.400 -0.040 0.000 2.148 829 K HA -0.177 4.148 4.320 0.008 0.000 0.204 829 K C 2.479 179.045 176.600 -0.056 0.000 1.050 829 K CA 1.560 57.824 56.287 -0.040 0.000 0.942 829 K CB -0.951 31.530 32.500 -0.031 0.000 0.724 829 K HN 0.386 nan 8.250 nan 0.000 0.446 830 Y N 1.915 122.178 120.300 -0.061 0.000 2.109 830 Y HA 0.007 4.562 4.550 0.008 0.000 0.285 830 Y C 2.148 177.996 175.900 -0.087 0.000 1.131 830 Y CA 1.266 59.323 58.100 -0.071 0.000 1.121 830 Y CB -0.907 37.518 38.460 -0.059 0.000 0.987 830 Y HN -0.005 nan 8.280 nan 0.000 0.495 831 L N 0.762 121.941 121.223 -0.072 0.000 2.737 831 L HA 0.008 4.353 4.340 0.008 0.000 0.246 831 L C 1.921 178.756 176.870 -0.058 0.000 1.153 831 L CA 0.645 55.444 54.840 -0.069 0.000 0.920 831 L CB -0.451 41.571 42.059 -0.062 0.000 1.090 831 L HN 0.311 nan 8.230 nan 0.000 0.430 832 K N -0.348 120.011 120.400 -0.068 0.000 2.157 832 K HA 0.197 4.522 4.320 0.008 0.000 0.207 832 K C 0.800 177.351 176.600 -0.081 0.000 1.030 832 K CA 0.771 57.026 56.287 -0.054 0.000 0.965 832 K CB -0.221 32.252 32.500 -0.046 0.000 0.877 832 K HN 0.328 nan 8.250 nan 0.000 0.460 833 T N 2.515 117.001 114.554 -0.113 0.000 2.751 833 T HA 0.273 4.628 4.350 0.008 0.000 0.290 833 T C 0.961 175.521 174.700 -0.233 0.000 0.919 833 T CA -0.470 61.544 62.100 -0.143 0.000 1.136 833 T CB -0.848 67.933 68.868 -0.145 0.000 0.875 833 T HN 0.202 nan 8.240 nan 0.000 0.532 834 I N 1.039 121.459 120.570 -0.249 0.000 2.886 834 I HA 0.437 4.612 4.170 0.008 0.000 0.299 834 I C 0.464 176.321 176.117 -0.433 0.000 1.044 834 I CA -1.342 59.636 61.300 -0.538 0.000 1.310 834 I CB 0.900 38.712 38.000 -0.313 0.000 1.441 834 I HN 0.587 nan 8.210 nan 0.000 0.578 835 M N 4.401 123.618 119.600 -0.639 0.000 2.120 835 M HA 0.432 4.918 4.480 0.008 0.000 0.354 835 M C -2.441 174.040 176.300 0.303 0.000 1.287 835 M CA -1.592 53.652 55.300 -0.093 0.000 1.103 835 M CB 0.642 33.252 32.600 0.016 0.000 1.623 835 M HN 0.415 nan 8.290 nan 0.000 0.471 836 P HA 0.079 nan 4.420 nan 0.000 0.271 836 P C -1.262 176.213 177.300 0.292 0.000 1.218 836 P CA -0.191 63.059 63.100 0.251 0.000 0.780 836 P CB 0.302 32.083 31.700 0.135 0.000 0.901 837 F N 2.996 122.948 119.950 0.003 0.000 2.438 837 F HA 0.308 4.841 4.527 0.010 0.000 0.356 837 F C 0.001 175.804 175.800 0.005 0.000 1.099 837 F CA -0.192 57.646 58.000 -0.270 0.000 1.185 837 F CB 0.267 38.934 39.000 -0.555 0.000 1.115 837 F HN 0.138 nan 8.300 nan 0.000 0.526 838 D N 6.572 126.508 120.400 -0.773 0.000 2.473 838 D HA 0.095 4.740 4.640 0.008 0.000 0.253 838 D C 0.564 176.256 176.300 -1.014 0.000 1.233 838 D CA -0.420 53.187 54.000 -0.654 0.000 0.908 838 D CB 1.418 42.062 40.800 -0.260 0.000 1.170 838 D HN 0.652 nan 8.370 nan 0.000 0.558 839 L N 4.103 124.467 121.223 -1.432 0.000 2.079 839 L HA -0.150 4.195 4.340 0.008 0.000 0.210 839 L C 2.116 178.736 176.870 -0.416 0.000 1.081 839 L CA 2.403 56.669 54.840 -0.958 0.000 0.752 839 L CB -0.692 40.611 42.059 -1.260 0.000 0.896 839 L HN 0.500 nan 8.230 nan 0.000 0.433 840 S N -1.062 114.424 115.700 -0.356 0.000 2.465 840 S HA -0.138 4.337 4.470 0.008 0.000 0.241 840 S C 1.842 176.291 174.600 -0.252 0.000 1.000 840 S CA 1.076 59.157 58.200 -0.199 0.000 0.964 840 S CB -0.807 62.323 63.200 -0.117 0.000 0.763 840 S HN 0.434 nan 8.310 nan 0.000 0.512 841 I N 0.021 120.327 120.570 -0.440 0.000 2.761 841 I HA 0.039 4.214 4.170 0.008 0.000 0.261 841 I C 1.070 176.765 176.117 -0.704 0.000 1.198 841 I CA 0.854 61.783 61.300 -0.618 0.000 1.482 841 I CB -1.316 36.149 38.000 -0.892 0.000 1.100 841 I HN 0.333 nan 8.210 nan 0.000 0.445 842 Y N -0.119 120.160 120.300 -0.035 0.000 2.481 842 Y HA 0.309 4.865 4.550 0.009 0.000 0.247 842 Y C 0.964 176.879 175.900 0.024 0.000 1.151 842 Y CA -0.341 57.776 58.100 0.029 0.000 1.238 842 Y CB 0.426 38.942 38.460 0.093 0.000 1.179 842 Y HN -0.027 nan 8.280 nan 0.000 0.524 843 T N 0.182 114.769 114.554 0.054 0.000 2.977 843 T HA 0.262 4.617 4.350 0.008 0.000 0.345 843 T C -0.938 173.765 174.700 0.005 0.000 1.562 843 T CA -0.692 61.441 62.100 0.054 0.000 1.090 843 T CB 0.486 69.421 68.868 0.112 0.000 1.383 843 T HN 0.287 nan 8.240 nan 0.000 0.484 844 N N 1.411 120.117 118.700 0.011 0.000 2.235 844 N HA 0.193 4.938 4.740 0.008 0.000 0.231 844 N C -0.296 175.229 175.510 0.025 0.000 1.177 844 N CA -0.618 52.433 53.050 0.001 0.000 0.874 844 N CB 0.522 38.998 38.487 -0.018 0.000 1.097 844 N HN 0.574 nan 8.380 nan 0.000 0.518 845 D N 0.683 121.112 120.400 0.048 0.000 2.401 845 D HA 0.005 4.650 4.640 0.008 0.000 0.254 845 D C 0.376 176.715 176.300 0.064 0.000 1.192 845 D CA 0.340 54.376 54.000 0.060 0.000 0.885 845 D CB 1.161 42.009 40.800 0.080 0.000 1.147 845 D HN 0.127 nan 8.370 nan 0.000 0.478 846 T N 4.414 119.001 114.554 0.056 0.000 2.665 846 T HA -0.200 4.155 4.350 0.008 0.000 0.268 846 T C 1.872 176.621 174.700 0.080 0.000 1.035 846 T CA 1.712 63.848 62.100 0.061 0.000 1.151 846 T CB -0.221 68.678 68.868 0.051 0.000 0.862 846 T HN 0.744 nan 8.240 nan 0.000 0.438 847 I N -0.487 120.133 120.570 0.083 0.000 2.315 847 I HA -0.046 4.129 4.170 0.008 0.000 0.248 847 I C 2.182 178.377 176.117 0.130 0.000 1.117 847 I CA 1.410 62.769 61.300 0.098 0.000 1.404 847 I CB -0.527 37.526 38.000 0.088 0.000 1.071 847 I HN 0.154 nan 8.210 nan 0.000 0.419 848 L N 0.659 121.963 121.223 0.135 0.000 2.056 848 L HA -0.152 4.193 4.340 0.008 0.000 0.207 848 L C 2.793 179.791 176.870 0.215 0.000 1.078 848 L CA 1.014 55.968 54.840 0.191 0.000 0.749 848 L CB -0.503 41.664 42.059 0.179 0.000 0.901 848 L HN 0.300 nan 8.230 nan 0.000 0.433 849 I N 0.629 121.294 120.570 0.160 0.000 2.179 849 I HA -0.251 3.924 4.170 0.008 0.000 0.242 849 I C 2.573 178.815 176.117 0.210 0.000 1.088 849 I CA 1.638 63.041 61.300 0.171 0.000 1.357 849 I CB -1.237 36.826 38.000 0.104 0.000 1.051 849 I HN 0.391 nan 8.210 nan 0.000 0.409 850 E N 0.996 121.289 120.200 0.156 0.000 2.204 850 E HA -0.241 4.114 4.350 0.008 0.000 0.195 850 E C 2.204 178.901 176.600 0.162 0.000 0.990 850 E CA 1.180 57.662 56.400 0.137 0.000 0.821 850 E CB -0.717 29.045 29.700 0.102 0.000 0.750 850 E HN 0.467 nan 8.360 nan 0.000 0.477 851 M N -0.547 119.173 119.600 0.200 0.000 2.099 851 M HA -0.061 4.424 4.480 0.008 0.000 0.262 851 M C 1.799 178.262 176.300 0.272 0.000 1.067 851 M CA 1.579 57.011 55.300 0.221 0.000 1.124 851 M CB -0.109 32.642 32.600 0.251 0.000 1.353 851 M HN 0.248 nan 8.290 nan 0.000 0.410 852 F N 1.464 121.488 119.950 0.123 0.000 2.084 852 F HA -0.219 4.311 4.527 0.007 0.000 0.296 852 F C 1.985 177.858 175.800 0.121 0.000 1.111 852 F CA 1.767 59.823 58.000 0.093 0.000 1.224 852 F CB -0.666 38.364 39.000 0.051 0.000 0.991 852 F HN 0.246 nan 8.300 nan 0.000 0.471 853 N N 0.773 119.552 118.700 0.131 0.000 2.104 853 N HA -0.216 4.529 4.740 0.008 0.000 0.190 853 N C 1.899 177.410 175.510 0.002 0.000 1.024 853 N CA 1.428 54.483 53.050 0.009 0.000 0.853 853 N CB -0.579 37.950 38.487 0.070 0.000 1.008 853 N HN 0.378 nan 8.380 nan 0.000 0.424 854 K N 0.048 120.487 120.400 0.064 0.000 2.009 854 K HA -0.204 4.121 4.320 0.008 0.000 0.210 854 K C 2.147 178.777 176.600 0.050 0.000 1.049 854 K CA 1.134 57.456 56.287 0.059 0.000 0.929 854 K CB -0.386 32.168 32.500 0.090 0.000 0.714 854 K HN 0.149 nan 8.250 nan 0.000 0.440 855 Y N 1.851 122.119 120.300 -0.054 0.000 2.151 855 Y HA -0.272 4.281 4.550 0.005 0.000 0.284 855 Y C 1.709 177.531 175.900 -0.129 0.000 1.166 855 Y CA 2.074 60.128 58.100 -0.077 0.000 1.163 855 Y CB -0.167 38.246 38.460 -0.079 0.000 0.974 855 Y HN 0.251 nan 8.280 nan 0.000 0.511 856 N N -0.351 118.329 118.700 -0.032 0.000 2.512 856 N HA -0.109 4.636 4.740 0.008 0.000 0.183 856 N C 1.765 177.216 175.510 -0.100 0.000 1.073 856 N CA 1.214 54.193 53.050 -0.118 0.000 0.911 856 N CB -0.324 38.009 38.487 -0.257 0.000 0.964 856 N HN 0.525 nan 8.380 nan 0.000 0.447 857 S N -0.900 114.752 115.700 -0.080 0.000 2.548 857 S HA 0.082 4.557 4.470 0.008 0.000 0.215 857 S C 0.641 175.202 174.600 -0.066 0.000 0.976 857 S CA -0.092 58.074 58.200 -0.057 0.000 0.908 857 S CB 0.375 63.556 63.200 -0.032 0.000 0.781 857 S HN -0.021 nan 8.310 nan 0.000 0.519 858 E N 1.518 121.652 120.200 -0.110 0.000 2.052 858 E HA 0.224 4.579 4.350 0.008 0.000 0.283 858 E C 0.668 177.207 176.600 -0.101 0.000 1.071 858 E CA -0.310 56.022 56.400 -0.113 0.000 0.851 858 E CB 1.011 30.611 29.700 -0.166 0.000 1.066 858 E HN 0.316 nan 8.360 nan 0.000 0.396 859 I N 5.064 125.612 120.570 -0.036 0.000 2.300 859 I HA -0.317 3.858 4.170 0.008 0.000 0.252 859 I C 1.750 177.932 176.117 0.109 0.000 1.119 859 I CA 1.457 62.775 61.300 0.031 0.000 1.384 859 I CB 0.048 38.060 38.000 0.020 0.000 1.062 859 I HN 0.603 nan 8.210 nan 0.000 0.426 860 L N 0.182 121.433 121.223 0.047 0.000 2.265 860 L HA -0.163 4.182 4.340 0.008 0.000 0.215 860 L C 1.630 178.451 176.870 -0.082 0.000 1.117 860 L CA 0.739 55.596 54.840 0.029 0.000 0.782 860 L CB -0.868 41.186 42.059 -0.007 0.000 0.914 860 L HN 0.302 nan 8.230 nan 0.000 0.441 861 N N 0.036 118.634 118.700 -0.169 0.000 2.521 861 N HA -0.064 4.681 4.740 0.008 0.000 0.188 861 N C 0.960 176.436 175.510 -0.057 0.000 1.146 861 N CA 0.462 53.361 53.050 -0.251 0.000 0.893 861 N CB -0.082 37.952 38.487 -0.754 0.000 0.975 861 N HN 0.397 nan 8.380 nan 0.000 0.451 862 N N 0.534 119.237 118.700 0.006 0.000 2.336 862 N HA 0.132 4.877 4.740 0.008 0.000 0.189 862 N C 0.079 175.579 175.510 -0.016 0.000 1.113 862 N CA -0.004 53.097 53.050 0.085 0.000 0.858 862 N CB 1.031 39.637 38.487 0.199 0.000 0.970 862 N HN 0.243 nan 8.380 nan 0.000 0.471 863 I N 2.471 122.920 120.570 -0.202 0.000 2.436 863 I HA 0.045 4.220 4.170 0.008 0.000 0.289 863 I C 1.598 177.644 176.117 -0.119 0.000 1.083 863 I CA 0.043 61.072 61.300 -0.452 0.000 1.372 863 I CB 0.578 38.261 38.000 -0.529 0.000 1.408 863 I HN 0.021 nan 8.210 nan 0.000 0.516 864 I N 4.597 125.076 120.570 -0.151 0.000 4.018 864 I HA 0.378 4.553 4.170 0.008 0.000 0.337 864 I C -0.331 175.772 176.117 -0.024 0.000 1.327 864 I CA 0.085 61.320 61.300 -0.109 0.000 1.100 864 I CB 0.634 38.391 38.000 -0.405 0.000 1.025 864 I HN 0.398 nan 8.210 nan 0.000 0.396 865 L N 1.545 122.759 121.223 -0.014 0.000 2.641 865 L HA 0.561 4.906 4.340 0.008 0.000 0.261 865 L C -1.969 174.942 176.870 0.070 0.000 0.926 865 L CA -0.227 54.668 54.840 0.092 0.000 0.917 865 L CB 1.971 44.154 42.059 0.207 0.000 1.361 865 L HN 0.088 nan 8.230 nan 0.000 0.417 866 N N 4.862 123.628 118.700 0.110 0.000 2.685 866 N HA 0.374 5.119 4.740 0.008 0.000 0.252 866 N C -1.687 173.930 175.510 0.179 0.000 1.261 866 N CA -0.290 52.829 53.050 0.115 0.000 0.768 866 N CB 1.016 39.514 38.487 0.020 0.000 1.304 866 N HN 0.627 nan 8.380 nan 0.000 0.536 867 L N 3.116 124.512 121.223 0.288 0.000 2.456 867 L HA 0.373 4.718 4.340 0.008 0.000 0.277 867 L C 0.534 177.575 176.870 0.285 0.000 1.124 867 L CA -0.116 54.874 54.840 0.250 0.000 0.880 867 L CB 0.164 42.380 42.059 0.262 0.000 1.192 867 L HN 0.113 nan 8.230 nan 0.000 0.463 868 R N 2.618 123.241 120.500 0.204 0.000 2.795 868 R HA 0.318 4.663 4.340 0.008 0.000 0.275 868 R C -1.054 175.368 176.300 0.203 0.000 0.981 868 R CA -1.039 55.209 56.100 0.248 0.000 0.917 868 R CB 1.909 32.327 30.300 0.198 0.000 1.202 868 R HN 0.358 nan 8.270 nan 0.000 0.469 869 Y N 1.937 122.315 120.300 0.130 0.000 2.335 869 Y HA 0.286 4.844 4.550 0.014 0.000 0.331 869 Y C -0.591 175.346 175.900 0.062 0.000 1.094 869 Y CA 0.431 58.582 58.100 0.085 0.000 1.253 869 Y CB 0.725 39.242 38.460 0.095 0.000 1.203 869 Y HN 0.151 nan 8.280 nan 0.000 0.508 870 K N 4.966 125.038 120.400 -0.547 0.000 2.571 870 K HA 0.148 4.473 4.320 0.008 0.000 0.252 870 K C -1.439 174.856 176.600 -0.508 0.000 0.956 870 K CA -0.784 55.282 56.287 -0.368 0.000 0.822 870 K CB 1.561 33.976 32.500 -0.142 0.000 1.286 870 K HN 0.785 nan 8.250 nan 0.000 0.439 871 D N 1.559 121.736 120.400 -0.370 0.000 2.735 871 D HA -0.218 4.427 4.640 0.008 0.000 0.235 871 D C -0.014 176.100 176.300 -0.309 0.000 1.175 871 D CA 1.325 55.180 54.000 -0.240 0.000 0.683 871 D CB -1.023 39.695 40.800 -0.136 0.000 1.008 871 D HN 0.829 nan 8.370 nan 0.000 0.416 872 N N -0.121 118.306 118.700 -0.456 0.000 2.708 872 N HA -0.294 4.451 4.740 0.008 0.000 0.249 872 N C -1.050 174.335 175.510 -0.207 0.000 1.097 872 N CA 1.713 54.651 53.050 -0.186 0.000 0.710 872 N CB -0.681 37.814 38.487 0.013 0.000 1.032 872 N HN 0.777 nan 8.380 nan 0.000 0.551 873 N N -1.131 117.319 118.700 -0.416 0.000 2.823 873 N HA 0.421 5.166 4.740 0.008 0.000 0.251 873 N C -1.591 173.793 175.510 -0.211 0.000 1.392 873 N CA -0.731 52.189 53.050 -0.218 0.000 0.864 873 N CB 0.792 39.173 38.487 -0.176 0.000 1.481 873 N HN 0.017 nan 8.380 nan 0.000 0.508 874 L N 3.265 124.411 121.223 -0.129 0.000 2.295 874 L HA 0.615 4.960 4.340 0.008 0.000 0.285 874 L C -0.258 176.551 176.870 -0.101 0.000 1.035 874 L CA -0.600 54.183 54.840 -0.095 0.000 0.806 874 L CB 0.977 42.935 42.059 -0.168 0.000 1.214 874 L HN 0.502 nan 8.230 nan 0.000 0.426 875 I N -1.141 119.396 120.570 -0.054 0.000 3.074 875 I HA 0.530 4.705 4.170 0.008 0.000 0.310 875 I C -1.214 174.906 176.117 0.006 0.000 1.153 875 I CA -0.995 60.280 61.300 -0.042 0.000 0.993 875 I CB 2.368 40.334 38.000 -0.056 0.000 1.237 875 I HN 0.352 nan 8.210 nan 0.000 0.443 876 D N 3.138 123.546 120.400 0.013 0.000 2.313 876 D HA 0.383 5.029 4.640 0.008 0.000 0.239 876 D C -0.089 176.219 176.300 0.014 0.000 1.142 876 D CA -0.229 53.797 54.000 0.044 0.000 0.847 876 D CB 1.200 42.038 40.800 0.063 0.000 1.082 876 D HN 0.651 nan 8.370 nan 0.000 0.480 877 L N 3.176 124.408 121.223 0.014 0.000 2.818 877 L HA 0.097 4.442 4.340 0.008 0.000 0.243 877 L C 1.892 178.732 176.870 -0.051 0.000 1.185 877 L CA -0.107 54.715 54.840 -0.029 0.000 0.988 877 L CB -0.103 41.943 42.059 -0.022 0.000 1.292 877 L HN 0.433 nan 8.230 nan 0.000 0.519 878 S N -0.639 115.049 115.700 -0.020 0.000 2.447 878 S HA -0.024 4.451 4.470 0.008 0.000 0.233 878 S C 1.685 176.212 174.600 -0.123 0.000 1.006 878 S CA 0.935 59.119 58.200 -0.026 0.000 0.957 878 S CB 0.091 63.341 63.200 0.083 0.000 0.773 878 S HN 0.557 nan 8.310 nan 0.000 0.507 879 G N -0.264 108.448 108.800 -0.148 0.000 2.195 879 G HA2 -0.253 3.712 3.960 0.008 0.000 0.224 879 G HA3 -0.253 3.712 3.960 0.008 0.000 0.224 879 G C 0.347 175.034 174.900 -0.354 0.000 0.990 879 G CA 0.224 45.155 45.100 -0.281 0.000 0.639 879 G HN 0.584 nan 8.290 nan 0.000 0.514 880 Y N 0.858 121.117 120.300 -0.068 0.000 2.457 880 Y HA 0.405 4.964 4.550 0.015 0.000 0.263 880 Y C 1.998 177.866 175.900 -0.052 0.000 1.164 880 Y CA 0.547 58.609 58.100 -0.064 0.000 1.274 880 Y CB 0.708 39.134 38.460 -0.057 0.000 1.097 880 Y HN 0.900 nan 8.280 nan 0.000 0.523 881 G N 1.312 110.144 108.800 0.053 0.000 2.333 881 G HA2 -0.180 3.785 3.960 0.008 0.000 0.296 881 G HA3 -0.180 3.785 3.960 0.008 0.000 0.296 881 G C 0.230 175.156 174.900 0.044 0.000 1.059 881 G CA 0.013 45.128 45.100 0.025 0.000 1.050 881 G HN 0.608 nan 8.290 nan 0.000 0.508 882 A N 0.231 123.090 122.820 0.064 0.000 2.445 882 A HA 0.601 4.926 4.320 0.008 0.000 0.242 882 A C 0.750 178.356 177.584 0.038 0.000 1.075 882 A CA 0.038 52.114 52.037 0.065 0.000 0.777 882 A CB 0.502 19.560 19.000 0.096 0.000 1.013 882 A HN 0.339 nan 8.150 nan 0.000 0.493 883 K N 1.425 121.846 120.400 0.034 0.000 2.227 883 K HA 0.430 4.755 4.320 0.008 0.000 0.280 883 K C -1.063 175.541 176.600 0.007 0.000 1.041 883 K CA -0.229 56.064 56.287 0.010 0.000 0.905 883 K CB 1.328 33.835 32.500 0.011 0.000 1.068 883 K HN 0.331 nan 8.250 nan 0.000 0.470 884 V N 3.513 123.410 119.914 -0.028 0.000 2.350 884 V HA 0.186 4.311 4.120 0.008 0.000 0.285 884 V C -0.074 175.950 176.094 -0.117 0.000 1.014 884 V CA -0.785 61.480 62.300 -0.060 0.000 0.831 884 V CB 1.589 33.366 31.823 -0.077 0.000 1.000 884 V HN 0.540 nan 8.190 nan 0.000 0.433 885 E N 3.716 123.834 120.200 -0.137 0.000 2.092 885 E HA 0.389 4.744 4.350 0.008 0.000 0.271 885 E C -1.032 175.333 176.600 -0.392 0.000 0.919 885 E CA -0.339 55.886 56.400 -0.291 0.000 0.760 885 E CB 2.235 31.763 29.700 -0.287 0.000 1.106 885 E HN 0.425 nan 8.360 nan 0.000 0.408 886 V N 5.358 125.029 119.914 -0.403 0.000 2.333 886 V HA 0.210 4.335 4.120 0.008 0.000 0.274 886 V C -0.230 175.641 176.094 -0.372 0.000 1.028 886 V CA -0.658 61.455 62.300 -0.312 0.000 0.851 886 V CB -0.240 31.446 31.823 -0.227 0.000 1.000 886 V HN 0.492 nan 8.190 nan 0.000 0.456 887 Y N 1.814 122.079 120.300 -0.058 0.000 2.299 887 Y HA 0.088 4.645 4.550 0.012 0.000 0.335 887 Y C 1.610 177.491 175.900 -0.031 0.000 1.287 887 Y CA -0.045 58.033 58.100 -0.036 0.000 1.424 887 Y CB 0.372 38.816 38.460 -0.026 0.000 1.326 887 Y HN 0.638 nan 8.280 nan 0.000 0.567 888 D N 0.664 121.142 120.400 0.130 0.000 2.228 888 D HA -0.149 4.496 4.640 0.008 0.000 0.203 888 D C 1.976 178.305 176.300 0.049 0.000 0.988 888 D CA 1.724 55.763 54.000 0.064 0.000 0.864 888 D CB -0.181 40.655 40.800 0.061 0.000 0.928 888 D HN 0.803 nan 8.370 nan 0.000 0.469 889 G N -0.820 108.018 108.800 0.062 0.000 3.088 889 G HA2 0.113 4.078 3.960 0.008 0.000 0.212 889 G HA3 0.113 4.078 3.960 0.008 0.000 0.212 889 G C 0.128 175.037 174.900 0.015 0.000 1.173 889 G CA -0.162 44.955 45.100 0.029 0.000 0.779 889 G HN 0.120 nan 8.290 nan 0.000 0.540 890 V N 0.860 120.790 119.914 0.027 0.000 2.383 890 V HA 0.254 4.379 4.120 0.008 0.000 0.275 890 V C 0.012 176.119 176.094 0.022 0.000 1.036 890 V CA -0.958 61.354 62.300 0.020 0.000 0.889 890 V CB 1.607 33.433 31.823 0.006 0.000 0.985 890 V HN 0.338 nan 8.190 nan 0.000 0.459 891 E N 5.140 125.338 120.200 -0.004 0.000 2.259 891 E HA 0.556 4.912 4.350 0.008 0.000 0.281 891 E C -1.341 175.359 176.600 0.167 0.000 1.027 891 E CA -0.448 55.976 56.400 0.041 0.000 0.838 891 E CB 0.947 30.628 29.700 -0.031 0.000 1.066 891 E HN 0.586 nan 8.360 nan 0.000 0.401 892 L N 4.066 125.413 121.223 0.208 0.000 2.354 892 L HA 0.514 4.859 4.340 0.008 0.000 0.269 892 L C -0.515 176.484 176.870 0.214 0.000 1.005 892 L CA -1.142 53.868 54.840 0.285 0.000 0.819 892 L CB 1.815 44.059 42.059 0.309 0.000 1.311 892 L HN 0.619 nan 8.230 nan 0.000 0.423 893 N N -1.514 117.236 118.700 0.084 0.000 2.455 893 N HA 0.250 4.995 4.740 0.008 0.000 0.278 893 N C -0.436 174.661 175.510 -0.687 0.000 1.291 893 N CA -0.956 52.001 53.050 -0.155 0.000 0.780 893 N CB 0.842 39.297 38.487 -0.053 0.000 1.520 893 N HN 0.547 nan 8.380 nan 0.000 0.486 894 D N -1.020 118.926 120.400 -0.756 0.000 2.378 894 D HA -0.062 4.584 4.640 0.008 0.000 0.227 894 D C 0.159 176.175 176.300 -0.474 0.000 1.012 894 D CA 0.756 54.190 54.000 -0.943 0.000 0.905 894 D CB -0.057 40.512 40.800 -0.385 0.000 0.895 894 D HN 0.602 nan 8.370 nan 0.000 0.532 895 K N 0.032 120.211 120.400 -0.369 0.000 2.410 895 K HA 0.116 4.441 4.320 0.008 0.000 0.200 895 K C 0.066 176.486 176.600 -0.299 0.000 1.023 895 K CA -0.275 55.842 56.287 -0.283 0.000 1.149 895 K CB -0.022 32.304 32.500 -0.291 0.000 0.859 895 K HN -0.014 nan 8.250 nan 0.000 0.514 896 N N 2.013 120.569 118.700 -0.240 0.000 2.741 896 N HA -0.181 4.564 4.740 0.008 0.000 0.251 896 N C -1.015 174.480 175.510 -0.025 0.000 1.112 896 N CA 1.027 54.031 53.050 -0.077 0.000 0.750 896 N CB -0.696 37.710 38.487 -0.135 0.000 1.119 896 N HN 0.471 nan 8.380 nan 0.000 0.561 897 Q N 0.067 119.881 119.800 0.024 0.000 2.245 897 Q HA 0.615 4.961 4.340 0.008 0.000 0.256 897 Q C -0.206 176.134 176.000 0.567 0.000 0.942 897 Q CA -0.559 55.392 55.803 0.247 0.000 0.896 897 Q CB 1.046 29.889 28.738 0.176 0.000 1.272 897 Q HN 0.316 nan 8.270 nan 0.000 0.442 898 F N -1.213 119.068 119.950 0.552 0.000 2.578 898 F HA 0.636 5.168 4.527 0.009 0.000 0.311 898 F C -1.099 174.793 175.800 0.153 0.000 1.094 898 F CA -1.211 56.987 58.000 0.330 0.000 0.923 898 F CB 1.484 40.585 39.000 0.168 0.000 1.230 898 F HN 0.244 nan 8.300 nan 0.000 0.450 899 K N 4.540 124.864 120.400 -0.127 0.000 2.274 899 K HA 0.627 4.953 4.320 0.008 0.000 0.262 899 K C -1.722 174.770 176.600 -0.179 0.000 0.961 899 K CA -0.653 55.240 56.287 -0.657 0.000 0.833 899 K CB 1.346 32.858 32.500 -1.647 0.000 1.102 899 K HN 0.929 nan 8.250 nan 0.000 0.436 900 L N 4.511 125.694 121.223 -0.065 0.000 2.287 900 L HA 0.340 4.685 4.340 0.008 0.000 0.287 900 L C 0.596 177.475 176.870 0.015 0.000 1.022 900 L CA -0.646 54.228 54.840 0.057 0.000 0.814 900 L CB 1.511 43.671 42.059 0.169 0.000 1.217 900 L HN 0.837 nan 8.230 nan 0.000 0.420 901 T N -1.979 112.574 114.554 -0.002 0.000 2.876 901 T HA 0.218 4.573 4.350 0.008 0.000 0.277 901 T C 1.075 175.778 174.700 0.005 0.000 0.997 901 T CA -0.033 62.073 62.100 0.010 0.000 0.966 901 T CB 1.415 70.263 68.868 -0.034 0.000 1.312 901 T HN 0.515 nan 8.240 nan 0.000 0.598 902 S N -0.578 115.119 115.700 -0.004 0.000 2.603 902 S HA 0.159 4.634 4.470 0.008 0.000 0.220 902 S C 0.739 175.325 174.600 -0.024 0.000 0.967 902 S CA -0.551 57.632 58.200 -0.029 0.000 0.920 902 S CB -0.581 62.598 63.200 -0.035 0.000 0.773 902 S HN 0.575 nan 8.310 nan 0.000 0.529 903 S N 1.695 117.386 115.700 -0.016 0.000 2.549 903 S HA 0.562 5.037 4.470 0.008 0.000 0.279 903 S C 1.474 176.062 174.600 -0.019 0.000 1.321 903 S CA -0.053 58.137 58.200 -0.017 0.000 1.054 903 S CB 1.129 64.321 63.200 -0.012 0.000 0.899 903 S HN 0.575 nan 8.310 nan 0.000 0.497 904 A N 3.057 125.860 122.820 -0.028 0.000 2.024 904 A HA -0.165 4.160 4.320 0.008 0.000 0.220 904 A C 1.707 179.256 177.584 -0.059 0.000 1.164 904 A CA 1.740 53.750 52.037 -0.045 0.000 0.643 904 A CB -0.559 18.411 19.000 -0.050 0.000 0.806 904 A HN 0.863 nan 8.150 nan 0.000 0.451 905 N N -0.829 117.850 118.700 -0.034 0.000 2.314 905 N HA 0.056 4.801 4.740 0.008 0.000 0.200 905 N C 0.119 175.654 175.510 0.041 0.000 1.135 905 N CA 0.692 53.731 53.050 -0.018 0.000 0.835 905 N CB -0.365 38.132 38.487 0.017 0.000 0.989 905 N HN 0.101 nan 8.380 nan 0.000 0.478 906 S N 0.368 116.083 115.700 0.026 0.000 3.363 906 S HA 0.260 4.735 4.470 0.008 0.000 0.267 906 S C -0.544 174.099 174.600 0.073 0.000 1.288 906 S CA -0.676 57.552 58.200 0.047 0.000 0.948 906 S CB -0.459 62.754 63.200 0.022 0.000 1.397 906 S HN 0.462 nan 8.310 nan 0.000 0.493 907 K N 3.930 124.402 120.400 0.120 0.000 2.551 907 K HA 0.539 4.864 4.320 0.008 0.000 0.269 907 K C -1.817 174.932 176.600 0.247 0.000 0.949 907 K CA -0.771 55.607 56.287 0.151 0.000 0.849 907 K CB 1.266 33.791 32.500 0.042 0.000 1.411 907 K HN 0.443 nan 8.250 nan 0.000 0.432 908 I N 2.727 123.413 120.570 0.194 0.000 2.466 908 I HA 0.417 4.593 4.170 0.008 0.000 0.289 908 I C -0.555 175.690 176.117 0.214 0.000 1.026 908 I CA -0.871 60.480 61.300 0.085 0.000 1.078 908 I CB 2.051 39.865 38.000 -0.309 0.000 1.249 908 I HN 0.502 nan 8.210 nan 0.000 0.429 909 R N 5.924 126.546 120.500 0.204 0.000 2.343 909 R HA 0.717 5.062 4.340 0.008 0.000 0.320 909 R C -1.804 174.572 176.300 0.125 0.000 0.956 909 R CA -0.452 55.769 56.100 0.200 0.000 0.836 909 R CB 1.710 32.167 30.300 0.261 0.000 1.151 909 R HN 0.463 nan 8.270 nan 0.000 0.450 910 V N 3.831 123.840 119.914 0.159 0.000 2.409 910 V HA 0.299 4.424 4.120 0.008 0.000 0.291 910 V C -0.329 175.840 176.094 0.125 0.000 1.020 910 V CA -0.631 61.755 62.300 0.145 0.000 0.848 910 V CB 2.058 34.026 31.823 0.241 0.000 0.990 910 V HN 0.789 nan 8.190 nan 0.000 0.430 911 T N 5.580 120.189 114.554 0.093 0.000 2.781 911 T HA 0.354 4.709 4.350 0.008 0.000 0.305 911 T C -0.016 174.736 174.700 0.086 0.000 1.001 911 T CA -0.371 61.776 62.100 0.078 0.000 0.950 911 T CB 0.473 69.373 68.868 0.054 0.000 0.955 911 T HN 0.674 nan 8.240 nan 0.000 0.471 912 Q N 2.272 122.134 119.800 0.104 0.000 2.417 912 Q HA 0.193 4.538 4.340 0.008 0.000 0.241 912 Q C 0.506 176.544 176.000 0.064 0.000 1.008 912 Q CA -0.758 55.103 55.803 0.098 0.000 0.901 912 Q CB 0.606 29.422 28.738 0.130 0.000 1.259 912 Q HN 0.431 nan 8.270 nan 0.000 0.489 913 N N 1.433 120.155 118.700 0.037 0.000 2.452 913 N HA -0.072 4.673 4.740 0.008 0.000 0.266 913 N C 0.200 175.720 175.510 0.016 0.000 1.175 913 N CA 0.329 53.392 53.050 0.023 0.000 0.945 913 N CB 0.850 39.347 38.487 0.017 0.000 1.063 913 N HN 0.483 nan 8.380 nan 0.000 0.472 914 Q N 1.957 121.780 119.800 0.037 0.000 2.451 914 Q HA 0.084 4.429 4.340 0.008 0.000 0.206 914 Q C -0.202 175.832 176.000 0.057 0.000 0.947 914 Q CA 0.526 56.363 55.803 0.056 0.000 0.937 914 Q CB 0.180 28.950 28.738 0.054 0.000 1.025 914 Q HN 0.569 nan 8.270 nan 0.000 0.511 915 N N 0.535 119.256 118.700 0.035 0.000 2.320 915 N HA 0.204 4.949 4.740 0.008 0.000 0.237 915 N C -0.134 175.398 175.510 0.036 0.000 1.129 915 N CA 0.097 53.176 53.050 0.049 0.000 0.854 915 N CB 1.017 39.525 38.487 0.035 0.000 1.083 915 N HN 0.218 nan 8.380 nan 0.000 0.504 916 I N 1.094 121.652 120.570 -0.021 0.000 2.377 916 I HA 0.311 4.486 4.170 0.008 0.000 0.293 916 I C 0.618 176.751 176.117 0.027 0.000 0.987 916 I CA -0.808 60.427 61.300 -0.109 0.000 1.185 916 I CB 1.880 39.629 38.000 -0.420 0.000 1.341 916 I HN -0.199 nan 8.210 nan 0.000 0.455 917 I N 6.407 127.023 120.570 0.078 0.000 2.725 917 I HA -0.102 4.073 4.170 0.008 0.000 0.296 917 I C 0.728 176.958 176.117 0.188 0.000 1.155 917 I CA 0.959 62.349 61.300 0.149 0.000 1.450 917 I CB -0.236 37.861 38.000 0.161 0.000 1.478 917 I HN 0.723 nan 8.210 nan 0.000 0.642 918 F N 4.731 124.685 119.950 0.005 0.000 2.500 918 F HA 0.158 4.692 4.527 0.012 0.000 0.285 918 F C 1.140 176.938 175.800 -0.003 0.000 1.088 918 F CA -0.322 57.670 58.000 -0.014 0.000 1.432 918 F CB 0.610 39.586 39.000 -0.040 0.000 1.131 918 F HN 0.380 nan 8.300 nan 0.000 0.582 919 N N 2.107 120.879 118.700 0.120 0.000 2.508 919 N HA 0.000 4.745 4.740 0.008 0.000 0.253 919 N C 0.193 175.721 175.510 0.029 0.000 1.145 919 N CA 0.297 53.347 53.050 0.000 0.000 0.973 919 N CB 0.906 39.389 38.487 -0.007 0.000 1.305 919 N HN 0.106 nan 8.380 nan 0.000 0.506 920 S N 0.128 115.852 115.700 0.041 0.000 2.767 920 S HA 0.149 4.624 4.470 0.008 0.000 0.253 920 S C 1.311 175.874 174.600 -0.062 0.000 1.082 920 S CA -0.533 57.682 58.200 0.025 0.000 1.148 920 S CB -0.248 62.999 63.200 0.078 0.000 0.808 920 S HN 0.315 nan 8.310 nan 0.000 0.466 921 V N -1.374 118.485 119.914 -0.092 0.000 0.473 921 V HA -0.300 3.825 4.120 0.008 0.000 0.092 921 V C 0.414 176.486 176.094 -0.037 0.000 2.433 921 V CA 2.096 64.265 62.300 -0.217 0.000 3.661 921 V CB -1.905 29.597 31.823 -0.536 0.000 0.941 921 V HN 0.769 nan 8.190 nan 0.000 0.987 922 F N -0.067 119.892 119.950 0.014 0.000 2.495 922 F HA 0.619 5.151 4.527 0.008 0.000 0.327 922 F C 0.310 176.133 175.800 0.038 0.000 1.103 922 F CA -1.143 56.871 58.000 0.024 0.000 0.949 922 F CB 1.548 40.566 39.000 0.030 0.000 1.142 922 F HN 0.035 nan 8.300 nan 0.000 0.457 923 L N 2.569 123.939 121.223 0.246 0.000 2.653 923 L HA -0.113 4.232 4.340 0.008 0.000 0.288 923 L C -0.635 176.385 176.870 0.250 0.000 1.243 923 L CA 1.088 56.051 54.840 0.203 0.000 0.906 923 L CB 0.068 42.262 42.059 0.226 0.000 1.154 923 L HN 0.668 nan 8.230 nan 0.000 0.498 924 D N 4.562 125.147 120.400 0.309 0.000 2.634 924 D HA 0.325 4.970 4.640 0.008 0.000 0.236 924 D C -1.108 175.468 176.300 0.461 0.000 1.323 924 D CA -0.272 53.911 54.000 0.304 0.000 0.884 924 D CB 0.336 41.267 40.800 0.218 0.000 1.496 924 D HN 0.246 nan 8.370 nan 0.000 0.525 925 F N -0.560 119.462 119.950 0.121 0.000 2.713 925 F HA 0.816 5.348 4.527 0.007 0.000 0.311 925 F C -1.533 174.277 175.800 0.017 0.000 1.141 925 F CA -0.837 57.259 58.000 0.160 0.000 0.939 925 F CB 1.299 40.529 39.000 0.384 0.000 1.325 925 F HN -0.023 nan 8.300 nan 0.000 0.453 926 S N 0.971 116.573 115.700 -0.163 0.000 2.569 926 S HA 0.814 5.290 4.470 0.008 0.000 0.280 926 S C -1.453 172.975 174.600 -0.285 0.000 1.111 926 S CA -0.807 57.147 58.200 -0.411 0.000 0.887 926 S CB 2.157 65.155 63.200 -0.337 0.000 1.095 926 S HN 0.637 nan 8.310 nan 0.000 0.476 927 V N 2.316 121.960 119.914 -0.450 0.000 2.656 927 V HA 0.825 4.950 4.120 0.008 0.000 0.307 927 V C -0.481 175.457 176.094 -0.260 0.000 1.051 927 V CA -0.588 61.535 62.300 -0.296 0.000 0.893 927 V CB 1.869 33.494 31.823 -0.331 0.000 0.999 927 V HN 1.018 nan 8.190 nan 0.000 0.426 928 S N 4.393 120.017 115.700 -0.127 0.000 2.541 928 S HA 0.986 5.461 4.470 0.008 0.000 0.280 928 S C -1.050 173.636 174.600 0.143 0.000 1.112 928 S CA -0.632 57.461 58.200 -0.180 0.000 0.925 928 S CB 2.287 65.485 63.200 -0.004 0.000 1.067 928 S HN 1.346 nan 8.310 nan 0.000 0.479 929 F N -2.115 117.886 119.950 0.085 0.000 2.799 929 F HA 0.783 5.315 4.527 0.008 0.000 0.316 929 F C -2.401 173.641 175.800 0.404 0.000 1.155 929 F CA -1.692 56.571 58.000 0.438 0.000 0.916 929 F CB 0.106 39.456 39.000 0.585 0.000 1.294 929 F HN 0.637 nan 8.300 nan 0.000 0.447 930 W N 2.741 124.489 121.300 0.747 0.000 2.578 930 W HA 0.831 5.496 4.660 0.008 0.000 0.346 930 W C -0.700 176.266 176.519 0.746 0.000 1.075 930 W CA -0.867 56.876 57.345 0.662 0.000 1.233 930 W CB 1.770 31.558 29.460 0.547 0.000 1.358 930 W HN 0.740 nan 8.180 nan 0.000 0.574 931 I N 1.501 122.484 120.570 0.689 0.000 2.918 931 I HA 0.500 4.675 4.170 0.008 0.000 0.301 931 I C -1.297 174.690 176.117 -0.217 0.000 1.312 931 I CA -1.356 60.117 61.300 0.287 0.000 1.007 931 I CB 2.122 40.264 38.000 0.236 0.000 1.281 931 I HN 0.470 nan 8.210 nan 0.000 0.440 932 R N 7.029 127.276 120.500 -0.422 0.000 2.507 932 R HA 0.592 4.938 4.340 0.008 0.000 0.298 932 R C -1.900 174.317 176.300 -0.138 0.000 1.087 932 R CA -0.453 55.353 56.100 -0.490 0.000 0.917 932 R CB 1.141 30.749 30.300 -1.153 0.000 1.173 932 R HN 0.545 nan 8.270 nan 0.000 0.472 933 I N 6.695 127.263 120.570 -0.004 0.000 2.312 933 I HA 0.370 4.545 4.170 0.008 0.000 0.290 933 I C -1.798 174.351 176.117 0.052 0.000 1.008 933 I CA -2.413 58.940 61.300 0.088 0.000 1.226 933 I CB 1.598 39.764 38.000 0.276 0.000 1.371 933 I HN 0.399 nan 8.210 nan 0.000 0.468 934 P HA -0.019 nan 4.420 nan 0.000 0.267 934 P C -0.602 176.634 177.300 -0.107 0.000 1.200 934 P CA -0.296 62.682 63.100 -0.202 0.000 0.772 934 P CB 0.890 32.238 31.700 -0.587 0.000 0.855 935 K N 2.807 123.070 120.400 -0.229 0.000 2.380 935 K HA 0.010 4.336 4.320 0.008 0.000 0.267 935 K C 0.065 176.287 176.600 -0.630 0.000 0.990 935 K CA -0.324 55.637 56.287 -0.542 0.000 0.946 935 K CB -0.013 31.871 32.500 -1.026 0.000 0.937 935 K HN 0.388 nan 8.250 nan 0.000 0.491 936 Y N 0.797 120.770 120.300 -0.545 0.000 2.511 936 Y HA 0.169 4.724 4.550 0.009 0.000 0.347 936 Y C -0.050 175.580 175.900 -0.449 0.000 1.257 936 Y CA -0.726 56.936 58.100 -0.729 0.000 1.469 936 Y CB 0.226 37.840 38.460 -1.410 0.000 1.353 936 Y HN 0.195 nan 8.280 nan 0.000 0.617 937 K N 2.416 122.746 120.400 -0.117 0.000 2.234 937 K HA 0.113 4.438 4.320 0.008 0.000 0.282 937 K C 0.278 176.898 176.600 0.033 0.000 1.039 937 K CA -0.377 55.864 56.287 -0.077 0.000 0.928 937 K CB 1.001 33.481 32.500 -0.033 0.000 1.039 937 K HN 0.757 nan 8.250 nan 0.000 0.470 938 N N 1.987 120.723 118.700 0.059 0.000 2.149 938 N HA -0.200 4.545 4.740 0.008 0.000 0.188 938 N C 0.658 176.229 175.510 0.102 0.000 1.019 938 N CA 1.552 54.686 53.050 0.140 0.000 0.857 938 N CB -0.037 38.585 38.487 0.226 0.000 0.997 938 N HN 0.625 nan 8.380 nan 0.000 0.426 939 D N -1.741 118.702 120.400 0.072 0.000 2.328 939 D HA 0.117 4.762 4.640 0.008 0.000 0.226 939 D C 0.992 177.317 176.300 0.041 0.000 1.066 939 D CA 0.149 54.184 54.000 0.059 0.000 0.861 939 D CB -0.399 40.430 40.800 0.049 0.000 0.912 939 D HN 0.173 nan 8.370 nan 0.000 0.521 940 G N -0.061 108.760 108.800 0.036 0.000 4.100 940 G HA2 0.120 4.085 3.960 0.008 0.000 0.294 940 G HA3 0.120 4.085 3.960 0.008 0.000 0.294 940 G C 0.780 175.706 174.900 0.043 0.000 1.040 940 G CA -0.370 44.753 45.100 0.038 0.000 0.829 940 G HN 0.175 nan 8.290 nan 0.000 0.505 941 I N 0.248 120.817 120.570 -0.001 0.000 2.286 941 I HA -0.132 4.043 4.170 0.008 0.000 0.248 941 I C 2.457 178.554 176.117 -0.033 0.000 1.115 941 I CA 1.517 62.781 61.300 -0.060 0.000 1.392 941 I CB 0.200 38.110 38.000 -0.150 0.000 1.065 941 I HN 0.085 nan 8.210 nan 0.000 0.418 942 Q N 0.524 120.302 119.800 -0.037 0.000 2.030 942 Q HA -0.198 4.147 4.340 0.008 0.000 0.204 942 Q C 2.114 178.109 176.000 -0.009 0.000 0.986 942 Q CA 1.751 57.513 55.803 -0.069 0.000 0.843 942 Q CB -0.834 27.875 28.738 -0.048 0.000 0.904 942 Q HN 0.563 nan 8.270 nan 0.000 0.420 943 N N -0.072 118.652 118.700 0.041 0.000 2.188 943 N HA -0.146 4.599 4.740 0.008 0.000 0.184 943 N C 1.661 177.237 175.510 0.110 0.000 1.018 943 N CA 0.828 53.927 53.050 0.082 0.000 0.858 943 N CB -0.499 38.027 38.487 0.066 0.000 0.989 943 N HN 0.329 nan 8.380 nan 0.000 0.426 944 Y N 2.323 122.614 120.300 -0.015 0.000 2.128 944 Y HA -0.170 4.385 4.550 0.008 0.000 0.284 944 Y C 2.194 178.070 175.900 -0.041 0.000 1.154 944 Y CA 1.692 59.791 58.100 -0.001 0.000 1.149 944 Y CB -0.334 38.130 38.460 0.007 0.000 0.976 944 Y HN 0.106 nan 8.280 nan 0.000 0.505 945 I N -2.413 118.155 120.570 -0.003 0.000 2.761 945 I HA -0.055 4.120 4.170 0.008 0.000 0.261 945 I C 2.051 178.084 176.117 -0.141 0.000 1.198 945 I CA 1.708 62.900 61.300 -0.179 0.000 1.482 945 I CB -0.549 37.291 38.000 -0.266 0.000 1.100 945 I HN 0.181 nan 8.210 nan 0.000 0.445 946 H N 1.514 120.488 119.070 -0.159 0.000 2.418 946 H HA 0.248 4.809 4.556 0.009 0.000 0.300 946 H C 0.359 175.628 175.328 -0.098 0.000 1.041 946 H CA 0.429 56.402 56.048 -0.125 0.000 1.364 946 H CB 0.296 30.004 29.762 -0.091 0.000 1.439 946 H HN 0.228 nan 8.280 nan 0.000 0.540 947 N N 2.343 120.997 118.700 -0.076 0.000 2.415 947 N HA 0.010 4.756 4.740 0.008 0.000 0.246 947 N C -0.637 174.848 175.510 -0.042 0.000 1.078 947 N CA -0.012 52.989 53.050 -0.082 0.000 0.942 947 N CB 0.974 39.477 38.487 0.026 0.000 1.140 947 N HN 0.559 nan 8.380 nan 0.000 0.501 948 E N 2.884 123.013 120.200 -0.118 0.000 2.259 948 E HA 0.154 4.509 4.350 0.008 0.000 0.281 948 E C -1.112 175.485 176.600 -0.005 0.000 1.027 948 E CA -0.598 55.722 56.400 -0.133 0.000 0.838 948 E CB 0.486 30.073 29.700 -0.189 0.000 1.066 948 E HN 0.500 nan 8.360 nan 0.000 0.401 949 Y N 0.380 120.625 120.300 -0.092 0.000 2.477 949 Y HA 0.457 5.012 4.550 0.008 0.000 0.347 949 Y C -0.458 175.417 175.900 -0.043 0.000 0.981 949 Y CA -1.233 56.829 58.100 -0.063 0.000 1.033 949 Y CB 1.101 39.530 38.460 -0.052 0.000 1.245 949 Y HN 0.175 nan 8.280 nan 0.000 0.455 950 T N 4.173 118.764 114.554 0.060 0.000 2.899 950 T HA 0.295 4.650 4.350 0.008 0.000 0.295 950 T C 1.155 175.902 174.700 0.080 0.000 1.033 950 T CA 0.081 62.181 62.100 0.001 0.000 1.084 950 T CB 0.766 69.623 68.868 -0.020 0.000 0.979 950 T HN 0.840 nan 8.240 nan 0.000 0.532 951 I N -1.411 119.178 120.570 0.032 0.000 4.530 951 I HA 0.504 4.680 4.170 0.008 0.000 0.318 951 I C -0.181 175.915 176.117 -0.035 0.000 1.257 951 I CA -0.030 61.313 61.300 0.072 0.000 1.301 951 I CB 0.610 38.669 38.000 0.098 0.000 1.297 951 I HN 0.339 nan 8.210 nan 0.000 0.451 952 I N 2.569 123.072 120.570 -0.112 0.000 2.512 952 I HA 0.378 4.553 4.170 0.008 0.000 0.287 952 I C -1.303 174.669 176.117 -0.241 0.000 1.069 952 I CA -0.386 60.729 61.300 -0.309 0.000 1.056 952 I CB 1.948 39.698 38.000 -0.416 0.000 1.229 952 I HN 0.197 nan 8.210 nan 0.000 0.429 953 N N 5.491 123.990 118.700 -0.335 0.000 2.295 953 N HA 0.419 5.164 4.740 0.008 0.000 0.293 953 N C -1.825 173.366 175.510 -0.532 0.000 1.040 953 N CA -0.304 52.526 53.050 -0.367 0.000 0.840 953 N CB 2.633 40.984 38.487 -0.228 0.000 1.468 953 N HN 0.654 nan 8.380 nan 0.000 0.478 954 C N 6.864 125.677 119.300 -0.811 0.000 2.534 954 C HA 0.585 5.050 4.460 0.008 0.000 0.309 954 C C -1.109 173.516 174.990 -0.607 0.000 1.072 954 C CA -0.479 58.025 59.018 -0.857 0.000 1.441 954 C CB -0.810 25.940 27.740 -1.651 0.000 1.906 954 C HN 0.635 nan 8.230 nan 0.000 0.429 955 M N 4.340 123.740 119.600 -0.334 0.000 2.464 955 M HA 0.551 5.036 4.480 0.008 0.000 0.308 955 M C -0.861 175.360 176.300 -0.133 0.000 1.127 955 M CA -0.315 54.854 55.300 -0.217 0.000 0.913 955 M CB 2.165 34.659 32.600 -0.176 0.000 1.689 955 M HN 0.647 nan 8.290 nan 0.000 0.445 956 K N 2.361 122.704 120.400 -0.095 0.000 2.588 956 K HA 0.342 4.667 4.320 0.008 0.000 0.250 956 K C -0.687 175.886 176.600 -0.045 0.000 0.972 956 K CA -0.222 56.030 56.287 -0.057 0.000 0.821 956 K CB 0.937 33.415 32.500 -0.036 0.000 1.249 956 K HN 0.755 nan 8.250 nan 0.000 0.442 957 N N 3.902 122.579 118.700 -0.038 0.000 2.754 957 N HA -0.206 4.540 4.740 0.008 0.000 0.248 957 N C -0.917 174.572 175.510 -0.035 0.000 1.093 957 N CA 1.226 54.258 53.050 -0.030 0.000 0.699 957 N CB -1.103 37.371 38.487 -0.022 0.000 1.016 957 N HN 0.975 nan 8.380 nan 0.000 0.552 958 N N -2.316 116.356 118.700 -0.046 0.000 2.800 958 N HA -0.189 4.556 4.740 0.008 0.000 0.250 958 N C -0.362 175.117 175.510 -0.051 0.000 1.078 958 N CA 1.548 54.569 53.050 -0.049 0.000 0.804 958 N CB -1.039 37.426 38.487 -0.037 0.000 1.135 958 N HN 0.604 nan 8.380 nan 0.000 0.565 959 S N -1.315 114.353 115.700 -0.054 0.000 2.568 959 S HA 0.863 5.338 4.470 0.008 0.000 0.293 959 S C 0.344 174.901 174.600 -0.071 0.000 1.089 959 S CA 0.488 58.659 58.200 -0.049 0.000 0.945 959 S CB 2.260 65.441 63.200 -0.031 0.000 1.077 959 S HN 0.805 nan 8.310 nan 0.000 0.485 960 G N 2.054 110.823 108.800 -0.053 0.000 2.332 960 G HA2 0.212 4.177 3.960 0.008 0.000 0.265 960 G HA3 0.212 4.177 3.960 0.008 0.000 0.265 960 G C -1.793 173.105 174.900 -0.002 0.000 1.329 960 G CA -0.144 44.914 45.100 -0.069 0.000 0.949 960 G HN 1.063 nan 8.290 nan 0.000 0.476 961 W N 0.336 121.563 121.300 -0.122 0.000 3.029 961 W HA 0.843 5.507 4.660 0.007 0.000 0.339 961 W C -0.781 175.572 176.519 -0.276 0.000 1.198 961 W CA -0.938 56.218 57.345 -0.315 0.000 1.148 961 W CB 1.496 30.734 29.460 -0.369 0.000 1.451 961 W HN 1.073 nan 8.180 nan 0.000 0.564 962 K N 0.519 120.847 120.400 -0.120 0.000 2.568 962 K HA 0.735 5.060 4.320 0.008 0.000 0.273 962 K C -2.059 174.601 176.600 0.101 0.000 0.951 962 K CA -0.897 55.368 56.287 -0.038 0.000 0.854 962 K CB 2.372 34.791 32.500 -0.134 0.000 1.424 962 K HN 0.537 nan 8.250 nan 0.000 0.427 963 I N 2.558 123.262 120.570 0.223 0.000 2.362 963 I HA 0.309 4.484 4.170 0.008 0.000 0.289 963 I C -0.525 175.655 176.117 0.104 0.000 0.994 963 I CA -0.379 61.098 61.300 0.294 0.000 1.158 963 I CB 2.001 40.243 38.000 0.403 0.000 1.315 963 I HN 0.915 nan 8.210 nan 0.000 0.451 964 S N 6.541 122.275 115.700 0.056 0.000 2.704 964 S HA 0.805 5.280 4.470 0.008 0.000 0.296 964 S C -0.773 173.719 174.600 -0.180 0.000 1.138 964 S CA -0.835 57.308 58.200 -0.095 0.000 0.875 964 S CB 2.336 65.467 63.200 -0.115 0.000 1.151 964 S HN 0.424 nan 8.310 nan 0.000 0.500 965 I N 0.470 120.748 120.570 -0.486 0.000 2.619 965 I HA 0.536 4.711 4.170 0.008 0.000 0.292 965 I C -0.495 175.230 176.117 -0.654 0.000 1.100 965 I CA -0.549 60.412 61.300 -0.564 0.000 1.043 965 I CB 2.429 40.014 38.000 -0.692 0.000 1.239 965 I HN 0.673 nan 8.210 nan 0.000 0.420 966 R N 4.189 124.430 120.500 -0.432 0.000 2.472 966 R HA 0.510 4.855 4.340 0.008 0.000 0.294 966 R C 0.393 176.410 176.300 -0.471 0.000 1.243 966 R CA 0.394 56.263 56.100 -0.387 0.000 1.023 966 R CB 1.117 31.215 30.300 -0.337 0.000 1.157 966 R HN 0.957 nan 8.270 nan 0.000 0.530 967 G N 3.822 112.246 108.800 -0.628 0.000 2.602 967 G HA2 -0.454 3.511 3.960 0.008 0.000 0.310 967 G HA3 -0.454 3.511 3.960 0.008 0.000 0.310 967 G C 0.310 174.755 174.900 -0.757 0.000 1.183 967 G CA 0.552 44.844 45.100 -1.345 0.000 0.979 967 G HN 0.731 nan 8.290 nan 0.000 0.545 968 N N 1.373 119.771 118.700 -0.504 0.000 2.313 968 N HA 0.087 4.832 4.740 0.008 0.000 0.207 968 N C 0.693 175.691 175.510 -0.853 0.000 1.141 968 N CA 0.724 53.431 53.050 -0.572 0.000 0.830 968 N CB 0.374 38.614 38.487 -0.412 0.000 1.008 968 N HN 0.858 nan 8.380 nan 0.000 0.481 969 R N 0.453 120.659 120.500 -0.490 0.000 2.534 969 R HA 0.493 4.838 4.340 0.008 0.000 0.301 969 R C -1.382 174.835 176.300 -0.140 0.000 0.961 969 R CA -0.708 55.176 56.100 -0.360 0.000 0.871 969 R CB 1.448 31.497 30.300 -0.418 0.000 1.170 969 R HN 0.160 nan 8.270 nan 0.000 0.446 970 I N 5.628 126.242 120.570 0.073 0.000 2.377 970 I HA 0.416 4.591 4.170 0.008 0.000 0.293 970 I C -1.165 175.094 176.117 0.238 0.000 0.987 970 I CA -0.855 60.562 61.300 0.196 0.000 1.185 970 I CB 1.134 39.373 38.000 0.399 0.000 1.341 970 I HN 0.624 nan 8.210 nan 0.000 0.455 971 I N 7.567 128.253 120.570 0.194 0.000 2.509 971 I HA 0.308 4.483 4.170 0.008 0.000 0.293 971 I C -1.111 175.203 176.117 0.328 0.000 1.020 971 I CA -0.445 61.003 61.300 0.245 0.000 1.088 971 I CB 1.716 39.776 38.000 0.099 0.000 1.267 971 I HN 0.600 nan 8.210 nan 0.000 0.430 972 W N 6.475 127.870 121.300 0.157 0.000 2.417 972 W HA 0.565 5.229 4.660 0.008 0.000 0.315 972 W C -1.498 175.106 176.519 0.141 0.000 1.045 972 W CA -0.404 57.035 57.345 0.157 0.000 1.221 972 W CB 1.909 31.438 29.460 0.113 0.000 1.309 972 W HN 0.411 nan 8.180 nan 0.000 0.453 973 T N 6.950 121.256 114.554 -0.413 0.000 2.861 973 T HA 0.540 4.895 4.350 0.008 0.000 0.287 973 T C -0.334 174.081 174.700 -0.475 0.000 1.003 973 T CA -0.517 61.382 62.100 -0.335 0.000 0.977 973 T CB 1.767 70.543 68.868 -0.153 0.000 0.996 973 T HN 0.303 nan 8.240 nan 0.000 0.448 974 L N 3.366 124.431 121.223 -0.264 0.000 2.342 974 L HA 0.710 5.055 4.340 0.008 0.000 0.271 974 L C -0.741 176.096 176.870 -0.056 0.000 1.008 974 L CA -1.078 53.686 54.840 -0.127 0.000 0.818 974 L CB 1.774 43.834 42.059 0.001 0.000 1.296 974 L HN 0.525 nan 8.230 nan 0.000 0.427 975 I N 1.490 122.043 120.570 -0.028 0.000 2.529 975 I HA 0.177 4.352 4.170 0.008 0.000 0.284 975 I C -0.982 175.130 176.117 -0.008 0.000 1.088 975 I CA -0.745 60.539 61.300 -0.026 0.000 1.062 975 I CB 1.943 39.914 38.000 -0.048 0.000 1.218 975 I HN 0.600 nan 8.210 nan 0.000 0.442 976 D N 5.893 126.293 120.400 -0.000 0.000 2.411 976 D HA 0.147 4.792 4.640 0.008 0.000 0.251 976 D C 1.493 177.790 176.300 -0.004 0.000 1.201 976 D CA -0.608 53.395 54.000 0.005 0.000 0.996 976 D CB 0.868 41.676 40.800 0.013 0.000 1.101 976 D HN 0.617 nan 8.370 nan 0.000 0.504 977 I N -2.874 117.696 120.570 -0.001 0.000 2.479 977 I HA -0.244 3.931 4.170 0.008 0.000 0.258 977 I C 0.507 176.621 176.117 -0.005 0.000 1.165 977 I CA 1.222 62.519 61.300 -0.005 0.000 1.422 977 I CB -0.598 37.402 38.000 0.001 0.000 1.087 977 I HN 0.156 nan 8.210 nan 0.000 0.441 978 N N 1.315 120.013 118.700 -0.003 0.000 2.270 978 N HA 0.144 4.889 4.740 0.008 0.000 0.198 978 N C 1.451 176.956 175.510 -0.009 0.000 1.117 978 N CA 0.905 53.953 53.050 -0.004 0.000 0.845 978 N CB 1.013 39.499 38.487 -0.000 0.000 0.980 978 N HN 0.664 nan 8.380 nan 0.000 0.486 979 G N 1.342 110.135 108.800 -0.013 0.000 2.179 979 G HA2 -0.332 3.633 3.960 0.008 0.000 0.260 979 G HA3 -0.332 3.633 3.960 0.008 0.000 0.260 979 G C 0.231 175.122 174.900 -0.016 0.000 0.977 979 G CA 0.265 45.355 45.100 -0.018 0.000 0.641 979 G HN 0.423 nan 8.290 nan 0.000 0.533 980 K N 1.250 121.643 120.400 -0.011 0.000 2.401 980 K HA 0.441 4.766 4.320 0.008 0.000 0.278 980 K C -0.168 176.425 176.600 -0.011 0.000 1.018 980 K CA 0.636 56.918 56.287 -0.009 0.000 0.981 980 K CB 0.206 32.703 32.500 -0.005 0.000 0.933 980 K HN 0.134 nan 8.250 nan 0.000 0.477 981 T N 4.329 118.876 114.554 -0.012 0.000 2.887 981 T HA 0.450 4.805 4.350 0.008 0.000 0.288 981 T C -1.016 173.681 174.700 -0.005 0.000 1.021 981 T CA -0.862 61.228 62.100 -0.016 0.000 1.000 981 T CB 1.484 70.337 68.868 -0.025 0.000 1.034 981 T HN 0.490 nan 8.240 nan 0.000 0.467 982 K N 1.168 121.567 120.400 -0.002 0.000 2.523 982 K HA 0.686 5.011 4.320 0.008 0.000 0.257 982 K C -1.273 175.343 176.600 0.027 0.000 0.932 982 K CA -0.744 55.555 56.287 0.019 0.000 0.812 982 K CB 2.395 34.913 32.500 0.029 0.000 1.326 982 K HN 0.582 nan 8.250 nan 0.000 0.433 983 S N 0.615 116.353 115.700 0.063 0.000 2.595 983 S HA 0.596 5.071 4.470 0.008 0.000 0.281 983 S C -1.603 173.088 174.600 0.151 0.000 1.117 983 S CA -0.777 57.490 58.200 0.112 0.000 0.873 983 S CB 2.437 65.708 63.200 0.118 0.000 1.108 983 S HN 0.340 nan 8.310 nan 0.000 0.477 984 V N 3.291 123.332 119.914 0.213 0.000 2.841 984 V HA 0.933 5.058 4.120 0.008 0.000 0.310 984 V C -2.014 174.197 176.094 0.195 0.000 1.090 984 V CA -0.779 61.576 62.300 0.092 0.000 0.930 984 V CB 1.516 33.385 31.823 0.076 0.000 1.014 984 V HN 0.867 nan 8.190 nan 0.000 0.425 985 F N 4.526 124.524 119.950 0.080 0.000 2.662 985 F HA 0.832 5.364 4.527 0.008 0.000 0.312 985 F C -1.884 173.981 175.800 0.109 0.000 1.113 985 F CA -1.686 56.368 58.000 0.090 0.000 0.951 985 F CB 1.631 40.647 39.000 0.028 0.000 1.344 985 F HN 0.513 nan 8.300 nan 0.000 0.462 986 F N 1.849 121.964 119.950 0.275 0.000 2.518 986 F HA 0.596 5.128 4.527 0.009 0.000 0.323 986 F C -1.056 174.824 175.800 0.134 0.000 1.129 986 F CA -0.697 57.371 58.000 0.113 0.000 0.920 986 F CB 1.663 40.654 39.000 -0.015 0.000 1.160 986 F HN 0.794 nan 8.300 nan 0.000 0.440 987 E N 6.462 126.282 120.200 -0.633 0.000 2.218 987 E HA 0.312 4.668 4.350 0.008 0.000 0.263 987 E C -1.741 174.314 176.600 -0.908 0.000 0.879 987 E CA -0.820 55.167 56.400 -0.688 0.000 0.762 987 E CB 1.196 30.715 29.700 -0.302 0.000 1.166 987 E HN 0.604 nan 8.360 nan 0.000 0.415 988 Y N 1.890 121.770 120.300 -0.699 0.000 2.352 988 Y HA 0.433 4.988 4.550 0.008 0.000 0.326 988 Y C 0.064 175.915 175.900 -0.082 0.000 1.166 988 Y CA -1.424 56.416 58.100 -0.434 0.000 1.182 988 Y CB 0.344 38.612 38.460 -0.320 0.000 1.216 988 Y HN 0.400 nan 8.280 nan 0.000 0.474 989 N N 2.386 121.200 118.700 0.191 0.000 2.458 989 N HA 0.123 4.868 4.740 0.008 0.000 0.258 989 N C 0.185 175.876 175.510 0.302 0.000 1.219 989 N CA -0.004 53.156 53.050 0.184 0.000 0.902 989 N CB 0.341 38.932 38.487 0.175 0.000 1.076 989 N HN 0.814 nan 8.380 nan 0.000 0.455 990 I N -0.284 120.424 120.570 0.230 0.000 3.762 990 I HA 0.370 4.546 4.170 0.008 0.000 0.333 990 I C 0.225 176.470 176.117 0.213 0.000 1.566 990 I CA -0.318 61.157 61.300 0.292 0.000 1.129 990 I CB 0.269 38.400 38.000 0.219 0.000 1.218 990 I HN 0.401 nan 8.210 nan 0.000 0.456 991 R N 0.783 121.399 120.500 0.192 0.000 2.572 991 R HA 0.288 4.633 4.340 0.008 0.000 0.370 991 R C -0.284 176.124 176.300 0.180 0.000 1.005 991 R CA -0.307 55.884 56.100 0.152 0.000 1.146 991 R CB 0.663 31.019 30.300 0.094 0.000 1.390 991 R HN 0.314 nan 8.270 nan 0.000 0.553 992 E N 1.204 121.542 120.200 0.231 0.000 2.354 992 E HA -0.002 4.353 4.350 0.008 0.000 0.269 992 E C 0.211 176.963 176.600 0.253 0.000 1.036 992 E CA 0.028 56.560 56.400 0.219 0.000 0.876 992 E CB 0.977 30.814 29.700 0.228 0.000 1.009 992 E HN 0.013 nan 8.360 nan 0.000 0.416 993 D N 0.927 121.452 120.400 0.209 0.000 2.117 993 D HA -0.073 4.572 4.640 0.008 0.000 0.197 993 D C 0.452 176.906 176.300 0.256 0.000 0.987 993 D CA 1.293 55.425 54.000 0.221 0.000 0.829 993 D CB 0.367 41.270 40.800 0.172 0.000 0.961 993 D HN 0.273 nan 8.370 nan 0.000 0.460 994 I N 0.399 121.102 120.570 0.222 0.000 2.500 994 I HA 0.102 4.278 4.170 0.008 0.000 0.286 994 I C -0.218 175.997 176.117 0.163 0.000 1.063 994 I CA -0.476 60.936 61.300 0.186 0.000 1.062 994 I CB 1.709 39.832 38.000 0.205 0.000 1.223 994 I HN -0.246 nan 8.210 nan 0.000 0.435 995 S N 4.514 120.323 115.700 0.181 0.000 2.554 995 S HA 0.327 4.803 4.470 0.008 0.000 0.278 995 S C 0.914 175.499 174.600 -0.025 0.000 1.242 995 S CA -0.277 58.015 58.200 0.153 0.000 1.051 995 S CB 1.144 64.517 63.200 0.290 0.000 0.986 995 S HN 0.602 nan 8.310 nan 0.000 0.502 996 E N 2.467 122.536 120.200 -0.218 0.000 2.478 996 E HA 0.011 4.366 4.350 0.008 0.000 0.194 996 E C 0.139 176.395 176.600 -0.573 0.000 1.045 996 E CA 0.592 56.693 56.400 -0.498 0.000 0.868 996 E CB 0.183 29.431 29.700 -0.754 0.000 0.885 996 E HN 0.846 nan 8.360 nan 0.000 0.505 997 Y N -0.074 120.214 120.300 -0.021 0.000 2.607 997 Y HA 0.235 4.790 4.550 0.008 0.000 0.276 997 Y C 1.069 176.965 175.900 -0.008 0.000 1.117 997 Y CA -0.564 57.477 58.100 -0.098 0.000 1.273 997 Y CB 0.564 38.674 38.460 -0.583 0.000 1.282 997 Y HN -0.160 nan 8.280 nan 0.000 0.514 998 I N 2.992 123.653 120.570 0.152 0.000 2.752 998 I HA -0.189 3.986 4.170 0.008 0.000 0.286 998 I C 0.955 177.323 176.117 0.417 0.000 1.180 998 I CA 0.968 62.438 61.300 0.284 0.000 1.404 998 I CB -0.200 38.067 38.000 0.446 0.000 1.389 998 I HN 0.558 nan 8.210 nan 0.000 0.549 999 N N 4.222 123.095 118.700 0.289 0.000 2.828 999 N HA -0.206 4.540 4.740 0.008 0.000 0.248 999 N C -0.241 175.435 175.510 0.277 0.000 1.044 999 N CA 0.598 53.752 53.050 0.173 0.000 0.851 999 N CB -0.144 38.379 38.487 0.060 0.000 1.136 999 N HN 0.615 nan 8.380 nan 0.000 0.572 1000 R N -0.296 120.429 120.500 0.374 0.000 2.589 1000 R HA 0.255 4.600 4.340 0.008 0.000 0.293 1000 R C -0.760 175.802 176.300 0.437 0.000 0.963 1000 R CA -0.608 55.752 56.100 0.434 0.000 0.905 1000 R CB 0.686 31.219 30.300 0.388 0.000 1.144 1000 R HN 0.095 nan 8.270 nan 0.000 0.459 1001 W N 3.782 125.348 121.300 0.443 0.000 2.264 1001 W HA 0.069 4.735 4.660 0.010 0.000 0.331 1001 W C 0.065 177.029 176.519 0.741 0.000 1.364 1001 W CA 0.426 58.061 57.345 0.482 0.000 1.253 1001 W CB 0.213 29.924 29.460 0.418 0.000 1.215 1001 W HN 0.440 nan 8.180 nan 0.000 0.561 1002 F N 2.527 123.000 119.950 0.872 0.000 2.631 1002 F HA 0.590 5.123 4.527 0.009 0.000 0.308 1002 F C -1.686 174.318 175.800 0.340 0.000 1.097 1002 F CA -2.639 55.723 58.000 0.603 0.000 0.952 1002 F CB 0.669 39.944 39.000 0.459 0.000 1.307 1002 F HN 0.116 nan 8.300 nan 0.000 0.450 1003 F N 3.151 123.037 119.950 -0.107 0.000 2.411 1003 F HA 0.726 5.258 4.527 0.008 0.000 0.350 1003 F C -1.047 174.513 175.800 -0.399 0.000 1.114 1003 F CA -1.267 56.275 58.000 -0.764 0.000 1.135 1003 F CB 1.194 39.476 39.000 -1.197 0.000 1.120 1003 F HN 0.427 nan 8.300 nan 0.000 0.495 1004 V N 4.816 124.097 119.914 -1.054 0.000 2.628 1004 V HA 0.620 4.745 4.120 0.008 0.000 0.306 1004 V C -0.520 174.745 176.094 -1.381 0.000 1.045 1004 V CA -0.570 61.092 62.300 -1.063 0.000 0.905 1004 V CB 2.053 33.230 31.823 -1.078 0.000 0.997 1004 V HN 0.839 nan 8.190 nan 0.000 0.436 1005 T N 5.366 119.352 114.554 -0.947 0.000 3.071 1005 T HA 0.622 4.977 4.350 0.008 0.000 0.311 1005 T C -0.733 173.675 174.700 -0.488 0.000 1.042 1005 T CA -0.202 61.444 62.100 -0.756 0.000 1.028 1005 T CB 1.169 69.592 68.868 -0.742 0.000 1.068 1005 T HN 0.390 nan 8.240 nan 0.000 0.451 1006 I N 3.408 123.643 120.570 -0.559 0.000 2.406 1006 I HA 0.509 4.684 4.170 0.008 0.000 0.290 1006 I C 0.471 176.186 176.117 -0.670 0.000 0.999 1006 I CA -0.701 60.202 61.300 -0.661 0.000 1.124 1006 I CB 1.980 39.324 38.000 -1.094 0.000 1.289 1006 I HN 0.676 nan 8.210 nan 0.000 0.441 1007 T N 2.226 116.502 114.554 -0.464 0.000 2.885 1007 T HA 0.546 4.901 4.350 0.008 0.000 0.285 1007 T C -0.615 173.886 174.700 -0.331 0.000 1.019 1007 T CA -0.912 60.960 62.100 -0.381 0.000 1.010 1007 T CB 1.708 70.465 68.868 -0.185 0.000 1.022 1007 T HN 0.472 nan 8.240 nan 0.000 0.466 1008 N N 2.602 121.136 118.700 -0.277 0.000 2.295 1008 N HA 0.436 5.181 4.740 0.008 0.000 0.293 1008 N C -1.184 174.344 175.510 0.031 0.000 1.040 1008 N CA -0.648 52.347 53.050 -0.091 0.000 0.840 1008 N CB 2.510 40.980 38.487 -0.027 0.000 1.468 1008 N HN 0.914 nan 8.380 nan 0.000 0.478 1009 N N 0.002 118.731 118.700 0.047 0.000 3.038 1009 N HA 0.252 4.997 4.740 0.008 0.000 0.307 1009 N C 1.031 176.577 175.510 0.061 0.000 1.441 1009 N CA -0.840 52.251 53.050 0.069 0.000 0.772 1009 N CB 0.366 38.874 38.487 0.036 0.000 1.651 1009 N HN 0.176 nan 8.380 nan 0.000 0.593 1010 L N -2.204 119.048 121.223 0.048 0.000 2.265 1010 L HA 0.101 4.446 4.340 0.008 0.000 0.215 1010 L C 0.261 177.085 176.870 -0.077 0.000 1.117 1010 L CA 1.702 56.518 54.840 -0.039 0.000 0.782 1010 L CB -1.700 40.310 42.059 -0.083 0.000 0.914 1010 L HN 0.536 nan 8.230 nan 0.000 0.441 1011 N N -0.043 118.635 118.700 -0.037 0.000 2.591 1011 N HA 0.073 4.818 4.740 0.008 0.000 0.200 1011 N C 0.224 175.717 175.510 -0.027 0.000 1.040 1011 N CA 0.277 53.302 53.050 -0.042 0.000 0.911 1011 N CB 0.329 38.794 38.487 -0.037 0.000 1.259 1011 N HN 0.467 nan 8.380 nan 0.000 0.438 1012 N N 0.244 118.932 118.700 -0.019 0.000 2.381 1012 N HA 0.545 5.290 4.740 0.008 0.000 0.294 1012 N C -1.186 174.316 175.510 -0.014 0.000 1.216 1012 N CA -0.378 52.658 53.050 -0.024 0.000 0.803 1012 N CB 2.556 41.015 38.487 -0.047 0.000 1.372 1012 N HN 0.006 nan 8.380 nan 0.000 0.500 1013 A N 0.980 123.790 122.820 -0.017 0.000 2.332 1013 A HA 0.524 4.849 4.320 0.008 0.000 0.300 1013 A C -0.628 176.899 177.584 -0.095 0.000 1.153 1013 A CA -0.725 51.303 52.037 -0.016 0.000 0.764 1013 A CB 0.726 19.803 19.000 0.128 0.000 1.174 1013 A HN 0.668 nan 8.150 nan 0.000 0.467 1014 K N 2.271 122.564 120.400 -0.178 0.000 2.435 1014 K HA 0.824 5.149 4.320 0.008 0.000 0.251 1014 K C -1.479 174.929 176.600 -0.320 0.000 0.954 1014 K CA -0.673 55.457 56.287 -0.261 0.000 0.820 1014 K CB 2.110 34.415 32.500 -0.325 0.000 1.292 1014 K HN 0.454 nan 8.250 nan 0.000 0.436 1015 I N 2.450 122.799 120.570 -0.368 0.000 2.378 1015 I HA 0.304 4.479 4.170 0.008 0.000 0.291 1015 I C -1.188 174.645 176.117 -0.473 0.000 0.992 1015 I CA -1.057 60.041 61.300 -0.337 0.000 1.154 1015 I CB 1.008 38.880 38.000 -0.214 0.000 1.315 1015 I HN 0.535 nan 8.210 nan 0.000 0.448 1016 Y N 6.165 126.208 120.300 -0.428 0.000 2.409 1016 Y HA 0.540 5.095 4.550 0.009 0.000 0.339 1016 Y C -0.052 175.509 175.900 -0.565 0.000 1.033 1016 Y CA -0.872 56.963 58.100 -0.443 0.000 1.094 1016 Y CB 1.647 39.863 38.460 -0.407 0.000 1.210 1016 Y HN 0.230 nan 8.280 nan 0.000 0.456 1017 I N 3.567 123.872 120.570 -0.442 0.000 2.447 1017 I HA 0.194 4.370 4.170 0.008 0.000 0.287 1017 I C -0.320 175.554 176.117 -0.405 0.000 1.023 1017 I CA -1.021 59.949 61.300 -0.550 0.000 1.083 1017 I CB 1.327 38.728 38.000 -0.998 0.000 1.245 1017 I HN 0.734 nan 8.210 nan 0.000 0.434 1018 N N 5.092 123.550 118.700 -0.403 0.000 2.727 1018 N HA -0.209 4.536 4.740 0.008 0.000 0.249 1018 N C 1.153 176.103 175.510 -0.933 0.000 1.048 1018 N CA 1.361 53.920 53.050 -0.819 0.000 0.714 1018 N CB -0.931 37.234 38.487 -0.537 0.000 0.959 1018 N HN 1.144 nan 8.380 nan 0.000 0.544 1019 G N -1.268 107.267 108.800 -0.442 0.000 2.225 1019 G HA2 -0.378 3.587 3.960 0.008 0.000 0.254 1019 G HA3 -0.378 3.587 3.960 0.008 0.000 0.254 1019 G C 0.065 174.923 174.900 -0.069 0.000 0.988 1019 G CA 0.857 45.832 45.100 -0.207 0.000 0.625 1019 G HN 0.706 nan 8.290 nan 0.000 0.527 1020 K N 0.432 120.764 120.400 -0.114 0.000 2.159 1020 K HA 0.668 4.993 4.320 0.008 0.000 0.266 1020 K C 0.162 176.691 176.600 -0.120 0.000 0.975 1020 K CA -1.101 55.148 56.287 -0.063 0.000 0.865 1020 K CB 0.985 33.421 32.500 -0.107 0.000 1.087 1020 K HN 0.190 nan 8.250 nan 0.000 0.446 1021 L N 4.105 125.215 121.223 -0.188 0.000 2.462 1021 L HA 0.076 4.421 4.340 0.008 0.000 0.272 1021 L C 0.472 177.115 176.870 -0.378 0.000 1.166 1021 L CA 0.948 55.444 54.840 -0.573 0.000 0.880 1021 L CB 0.653 42.381 42.059 -0.552 0.000 1.142 1021 L HN 0.823 nan 8.230 nan 0.000 0.473 1022 E N 2.031 121.983 120.200 -0.413 0.000 2.391 1022 E HA 0.259 4.614 4.350 0.008 0.000 0.206 1022 E C -0.269 176.221 176.600 -0.184 0.000 0.851 1022 E CA 0.306 56.563 56.400 -0.238 0.000 1.059 1022 E CB 0.634 30.177 29.700 -0.262 0.000 1.065 1022 E HN 0.689 nan 8.360 nan 0.000 0.512 1023 S N 0.567 116.110 115.700 -0.263 0.000 2.579 1023 S HA 0.483 4.958 4.470 0.008 0.000 0.272 1023 S C -0.899 173.541 174.600 -0.267 0.000 1.141 1023 S CA -0.935 57.118 58.200 -0.246 0.000 0.843 1023 S CB 2.475 65.526 63.200 -0.248 0.000 1.122 1023 S HN 0.090 nan 8.310 nan 0.000 0.468 1024 N N 0.568 119.133 118.700 -0.225 0.000 2.371 1024 N HA 0.450 5.196 4.740 0.008 0.000 0.280 1024 N C -2.014 173.414 175.510 -0.137 0.000 1.084 1024 N CA -0.190 52.752 53.050 -0.181 0.000 0.892 1024 N CB 2.283 40.667 38.487 -0.172 0.000 1.653 1024 N HN 0.567 nan 8.380 nan 0.000 0.480 1025 T N 1.194 115.694 114.554 -0.091 0.000 2.886 1025 T HA 0.184 4.539 4.350 0.008 0.000 0.292 1025 T C -1.110 173.570 174.700 -0.032 0.000 1.012 1025 T CA -0.601 61.466 62.100 -0.055 0.000 0.982 1025 T CB 1.546 70.403 68.868 -0.018 0.000 1.018 1025 T HN 0.407 nan 8.240 nan 0.000 0.451 1026 D N 2.981 123.362 120.400 -0.031 0.000 2.343 1026 D HA 0.141 4.786 4.640 0.008 0.000 0.255 1026 D C 0.595 176.888 176.300 -0.012 0.000 1.187 1026 D CA -0.351 53.634 54.000 -0.026 0.000 0.875 1026 D CB 0.554 41.336 40.800 -0.030 0.000 1.136 1026 D HN 0.652 nan 8.370 nan 0.000 0.469 1027 I N 0.710 121.275 120.570 -0.008 0.000 3.569 1027 I HA 0.219 4.394 4.170 0.008 0.000 0.334 1027 I C 1.060 177.162 176.117 -0.025 0.000 1.570 1027 I CA -0.762 60.540 61.300 0.003 0.000 1.082 1027 I CB 0.433 38.458 38.000 0.041 0.000 1.323 1027 I HN 0.035 nan 8.210 nan 0.000 0.489 1028 K N 1.190 121.563 120.400 -0.045 0.000 2.148 1028 K HA -0.066 4.259 4.320 0.008 0.000 0.204 1028 K C 0.783 177.336 176.600 -0.078 0.000 1.050 1028 K CA 1.403 57.642 56.287 -0.080 0.000 0.942 1028 K CB -0.011 32.444 32.500 -0.074 0.000 0.724 1028 K HN 0.468 nan 8.250 nan 0.000 0.446 1029 D N 0.664 121.036 120.400 -0.047 0.000 2.363 1029 D HA -0.039 4.606 4.640 0.008 0.000 0.226 1029 D C 0.345 176.629 176.300 -0.028 0.000 1.020 1029 D CA 0.560 54.538 54.000 -0.036 0.000 0.892 1029 D CB 0.191 40.978 40.800 -0.022 0.000 0.900 1029 D HN 0.068 nan 8.370 nan 0.000 0.531 1030 I N 2.508 123.063 120.570 -0.026 0.000 2.396 1030 I HA 0.057 4.232 4.170 0.008 0.000 0.289 1030 I C 1.286 177.396 176.117 -0.012 0.000 1.056 1030 I CA -0.252 61.044 61.300 -0.007 0.000 1.365 1030 I CB 0.599 38.610 38.000 0.018 0.000 1.407 1030 I HN -0.251 nan 8.210 nan 0.000 0.509 1031 R N 3.771 124.274 120.500 0.004 0.000 2.879 1031 R HA 0.156 4.501 4.340 0.008 0.000 0.219 1031 R C 0.326 176.653 176.300 0.045 0.000 1.167 1031 R CA -0.671 55.442 56.100 0.022 0.000 1.062 1031 R CB 0.107 30.422 30.300 0.025 0.000 1.093 1031 R HN 0.574 nan 8.270 nan 0.000 0.510 1032 E N 0.681 120.917 120.200 0.060 0.000 2.442 1032 E HA 0.027 4.382 4.350 0.008 0.000 0.262 1032 E C -1.063 175.552 176.600 0.024 0.000 1.004 1032 E CA 0.089 56.522 56.400 0.054 0.000 0.928 1032 E CB 0.569 30.294 29.700 0.042 0.000 0.937 1032 E HN 0.094 nan 8.360 nan 0.000 0.446 1033 V N 6.675 126.593 119.914 0.007 0.000 2.443 1033 V HA 0.246 4.371 4.120 0.008 0.000 0.293 1033 V C -0.031 176.022 176.094 -0.068 0.000 1.021 1033 V CA -0.649 61.649 62.300 -0.005 0.000 0.848 1033 V CB 1.344 33.194 31.823 0.046 0.000 0.998 1033 V HN 0.623 nan 8.190 nan 0.000 0.424 1034 I N 4.066 124.606 120.570 -0.051 0.000 2.505 1034 I HA 0.279 4.454 4.170 0.008 0.000 0.287 1034 I C 1.147 177.224 176.117 -0.066 0.000 1.104 1034 I CA 0.333 61.591 61.300 -0.071 0.000 1.387 1034 I CB 1.108 39.085 38.000 -0.039 0.000 1.404 1034 I HN 0.743 nan 8.210 nan 0.000 0.528 1035 A N 5.004 127.724 122.820 -0.166 0.000 2.469 1035 A HA 0.088 4.413 4.320 0.008 0.000 0.245 1035 A C 1.108 178.897 177.584 0.342 0.000 1.221 1035 A CA -0.217 51.817 52.037 -0.005 0.000 0.946 1035 A CB -0.183 18.431 19.000 -0.644 0.000 1.049 1035 A HN 0.780 nan 8.150 nan 0.000 0.529 1036 N N 0.405 119.265 118.700 0.265 0.000 2.295 1036 N HA 0.215 4.960 4.740 0.008 0.000 0.221 1036 N C 0.685 176.305 175.510 0.184 0.000 1.129 1036 N CA 0.404 53.673 53.050 0.365 0.000 0.836 1036 N CB -0.402 38.304 38.487 0.365 0.000 1.040 1036 N HN 0.162 nan 8.380 nan 0.000 0.494 1037 G N -0.128 108.734 108.800 0.103 0.000 2.611 1037 G HA2 0.078 4.043 3.960 0.008 0.000 0.273 1037 G HA3 0.078 4.043 3.960 0.008 0.000 0.273 1037 G C -0.543 174.375 174.900 0.029 0.000 1.305 1037 G CA -0.601 44.514 45.100 0.026 0.000 1.010 1037 G HN 0.377 nan 8.290 nan 0.000 0.509 1038 E N -1.164 119.034 120.200 -0.003 0.000 2.392 1038 E HA 0.190 4.545 4.350 0.008 0.000 0.264 1038 E C -0.214 176.365 176.600 -0.036 0.000 1.024 1038 E CA -0.124 56.283 56.400 0.012 0.000 0.903 1038 E CB 0.399 30.103 29.700 0.007 0.000 0.963 1038 E HN 0.215 nan 8.360 nan 0.000 0.432 1039 I N 5.488 126.074 120.570 0.027 0.000 2.339 1039 I HA 0.223 4.398 4.170 0.008 0.000 0.290 1039 I C -0.417 175.712 176.117 0.019 0.000 0.994 1039 I CA -0.746 60.531 61.300 -0.039 0.000 1.191 1039 I CB 1.019 39.096 38.000 0.128 0.000 1.343 1039 I HN 0.371 nan 8.210 nan 0.000 0.458 1040 I N 6.832 127.339 120.570 -0.106 0.000 2.330 1040 I HA 0.289 4.464 4.170 0.008 0.000 0.289 1040 I C -0.504 175.577 176.117 -0.060 0.000 1.001 1040 I CA -0.441 60.855 61.300 -0.005 0.000 1.193 1040 I CB 0.837 38.810 38.000 -0.045 0.000 1.345 1040 I HN 0.321 nan 8.210 nan 0.000 0.461 1041 F N 6.335 126.262 119.950 -0.038 0.000 2.371 1041 F HA 0.528 5.062 4.527 0.011 0.000 0.363 1041 F C 0.517 176.331 175.800 0.023 0.000 1.122 1041 F CA -0.356 57.636 58.000 -0.013 0.000 1.129 1041 F CB 0.742 39.731 39.000 -0.018 0.000 1.173 1041 F HN 0.366 nan 8.300 nan 0.000 0.489 1042 K N 3.889 124.380 120.400 0.152 0.000 2.622 1042 K HA 0.311 4.636 4.320 0.008 0.000 0.263 1042 K C -1.823 174.834 176.600 0.094 0.000 0.947 1042 K CA -0.682 55.672 56.287 0.112 0.000 0.885 1042 K CB 1.257 33.791 32.500 0.056 0.000 1.362 1042 K HN 0.519 nan 8.250 nan 0.000 0.413 1043 L N 3.443 124.723 121.223 0.094 0.000 2.433 1043 L HA 0.221 4.566 4.340 0.008 0.000 0.275 1043 L C -0.123 176.783 176.870 0.060 0.000 1.128 1043 L CA 0.196 55.100 54.840 0.107 0.000 0.875 1043 L CB 0.335 42.402 42.059 0.013 0.000 1.171 1043 L HN 0.547 nan 8.230 nan 0.000 0.463 1044 D N 3.220 123.680 120.400 0.100 0.000 2.421 1044 D HA 0.594 5.239 4.640 0.008 0.000 0.254 1044 D C -0.172 176.171 176.300 0.071 0.000 1.238 1044 D CA 0.085 54.114 54.000 0.049 0.000 0.919 1044 D CB 1.903 42.713 40.800 0.017 0.000 1.152 1044 D HN 0.739 nan 8.370 nan 0.000 0.552 1045 G N 2.584 111.407 108.800 0.038 0.000 2.344 1045 G HA2 0.004 3.969 3.960 0.008 0.000 0.282 1045 G HA3 0.004 3.969 3.960 0.008 0.000 0.282 1045 G C -1.310 173.590 174.900 0.000 0.000 1.281 1045 G CA -0.769 44.355 45.100 0.041 0.000 0.877 1045 G HN 0.264 nan 8.290 nan 0.000 0.494 1046 D N 1.174 121.577 120.400 0.005 0.000 2.558 1046 D HA 0.409 5.054 4.640 0.008 0.000 0.221 1046 D C 0.940 177.214 176.300 -0.044 0.000 1.143 1046 D CA -0.019 53.974 54.000 -0.013 0.000 1.010 1046 D CB -0.287 40.517 40.800 0.006 0.000 1.068 1046 D HN 0.593 nan 8.370 nan 0.000 0.511 1047 I N -2.537 117.970 120.570 -0.105 0.000 2.664 1047 I HA 0.470 4.645 4.170 0.008 0.000 0.308 1047 I C 0.290 176.335 176.117 -0.119 0.000 0.984 1047 I CA -0.964 60.219 61.300 -0.195 0.000 1.213 1047 I CB 1.472 39.252 38.000 -0.367 0.000 1.379 1047 I HN -0.118 nan 8.210 nan 0.000 0.501 1048 D N 3.100 123.434 120.400 -0.111 0.000 2.341 1048 D HA 0.121 4.766 4.640 0.008 0.000 0.245 1048 D C 0.863 177.128 176.300 -0.059 0.000 1.106 1048 D CA -0.137 53.829 54.000 -0.057 0.000 0.905 1048 D CB 1.333 42.114 40.800 -0.032 0.000 1.202 1048 D HN 0.596 nan 8.370 nan 0.000 0.426 1049 R N 0.437 120.920 120.500 -0.030 0.000 2.241 1049 R HA -0.086 4.260 4.340 0.008 0.000 0.224 1049 R C 1.735 178.039 176.300 0.006 0.000 1.101 1049 R CA 1.289 57.378 56.100 -0.018 0.000 0.995 1049 R CB -0.152 30.143 30.300 -0.009 0.000 0.870 1049 R HN 0.510 nan 8.270 nan 0.000 0.463 1050 T N -2.762 111.802 114.554 0.016 0.000 3.081 1050 T HA -0.017 4.338 4.350 0.008 0.000 0.250 1050 T C 0.783 175.544 174.700 0.102 0.000 1.100 1050 T CA -0.279 61.864 62.100 0.072 0.000 1.038 1050 T CB 0.180 69.085 68.868 0.062 0.000 0.962 1050 T HN -0.035 nan 8.240 nan 0.000 0.516 1051 Q N 1.772 121.563 119.800 -0.015 0.000 2.337 1051 Q HA 0.472 4.817 4.340 0.008 0.000 0.270 1051 Q C -0.606 175.389 176.000 -0.007 0.000 1.002 1051 Q CA -0.223 55.507 55.803 -0.122 0.000 0.888 1051 Q CB 0.010 28.595 28.738 -0.256 0.000 1.222 1051 Q HN 0.611 nan 8.270 nan 0.000 0.400 1052 F N 1.539 121.440 119.950 -0.082 0.000 2.745 1052 F HA 0.773 5.305 4.527 0.008 0.000 0.316 1052 F C -1.616 174.154 175.800 -0.050 0.000 1.155 1052 F CA -1.346 56.592 58.000 -0.103 0.000 0.937 1052 F CB 1.174 40.078 39.000 -0.161 0.000 1.361 1052 F HN 0.293 nan 8.300 nan 0.000 0.472 1053 I N 0.995 121.677 120.570 0.186 0.000 2.692 1053 I HA 0.220 4.395 4.170 0.008 0.000 0.293 1053 I C -1.814 174.337 176.117 0.056 0.000 1.200 1053 I CA -0.881 60.495 61.300 0.127 0.000 1.036 1053 I CB 1.901 39.984 38.000 0.139 0.000 1.258 1053 I HN 0.833 nan 8.210 nan 0.000 0.421 1054 W N 5.987 127.306 121.300 0.032 0.000 2.551 1054 W HA 0.746 5.410 4.660 0.006 0.000 0.330 1054 W C 0.115 176.569 176.519 -0.107 0.000 1.063 1054 W CA -0.430 56.878 57.345 -0.061 0.000 1.222 1054 W CB 1.826 31.169 29.460 -0.195 0.000 1.349 1054 W HN 0.317 nan 8.180 nan 0.000 0.536 1055 M N 2.730 122.390 119.600 0.100 0.000 2.618 1055 M HA 0.491 4.976 4.480 0.008 0.000 0.281 1055 M C -1.316 175.034 176.300 0.083 0.000 1.267 1055 M CA -0.754 54.559 55.300 0.023 0.000 0.845 1055 M CB 2.414 34.697 32.600 -0.528 0.000 1.732 1055 M HN 0.384 nan 8.290 nan 0.000 0.461 1056 K N 1.458 122.086 120.400 0.379 0.000 2.572 1056 K HA 0.312 4.637 4.320 0.008 0.000 0.263 1056 K C -1.555 175.375 176.600 0.550 0.000 0.932 1056 K CA -0.510 55.920 56.287 0.238 0.000 0.838 1056 K CB 1.211 33.541 32.500 -0.285 0.000 1.366 1056 K HN 0.813 nan 8.250 nan 0.000 0.425 1057 Y N 1.288 121.881 120.300 0.489 0.000 3.234 1057 Y HA -0.288 4.266 4.550 0.007 0.000 0.207 1057 Y C -0.571 175.705 175.900 0.627 0.000 1.316 1057 Y CA -0.036 58.369 58.100 0.508 0.000 1.309 1057 Y CB -1.213 37.548 38.460 0.502 0.000 1.408 1057 Y HN 0.493 nan 8.280 nan 0.000 0.544 1058 F N 2.603 122.972 119.950 0.699 0.000 2.504 1058 F HA 0.405 4.936 4.527 0.006 0.000 0.369 1058 F C 0.508 176.615 175.800 0.512 0.000 1.082 1058 F CA 0.271 58.674 58.000 0.670 0.000 1.216 1058 F CB 0.559 39.983 39.000 0.707 0.000 1.108 1058 F HN 0.079 nan 8.300 nan 0.000 0.554 1059 S N 6.152 121.758 115.700 -0.156 0.000 2.579 1059 S HA 0.780 5.255 4.470 0.008 0.000 0.272 1059 S C -1.067 173.398 174.600 -0.224 0.000 1.141 1059 S CA -0.990 57.152 58.200 -0.096 0.000 0.843 1059 S CB 1.718 64.927 63.200 0.015 0.000 1.122 1059 S HN 0.551 nan 8.310 nan 0.000 0.468 1060 I N 1.439 121.936 120.570 -0.121 0.000 2.545 1060 I HA 0.536 4.711 4.170 0.008 0.000 0.292 1060 I C -1.507 174.577 176.117 -0.056 0.000 1.040 1060 I CA -0.677 60.631 61.300 0.012 0.000 1.068 1060 I CB 1.739 39.819 38.000 0.133 0.000 1.251 1060 I HN 0.556 nan 8.210 nan 0.000 0.424 1061 F N 3.352 123.306 119.950 0.005 0.000 2.495 1061 F HA 0.291 4.825 4.527 0.012 0.000 0.327 1061 F C 0.815 176.674 175.800 0.099 0.000 1.103 1061 F CA -0.959 57.049 58.000 0.015 0.000 0.949 1061 F CB 1.255 40.244 39.000 -0.017 0.000 1.142 1061 F HN 0.471 nan 8.300 nan 0.000 0.457 1062 N N 0.287 119.119 118.700 0.219 0.000 2.484 1062 N HA 0.107 4.852 4.740 0.008 0.000 0.245 1062 N C -0.317 175.372 175.510 0.298 0.000 1.184 1062 N CA 0.062 53.267 53.050 0.258 0.000 0.884 1062 N CB 0.424 38.947 38.487 0.060 0.000 1.182 1062 N HN 0.590 nan 8.380 nan 0.000 0.493 1063 T N -1.483 113.241 114.554 0.283 0.000 2.769 1063 T HA 0.198 4.553 4.350 0.008 0.000 0.306 1063 T C -2.006 172.748 174.700 0.090 0.000 1.400 1063 T CA -0.816 61.392 62.100 0.180 0.000 1.007 1063 T CB 1.429 70.370 68.868 0.122 0.000 1.392 1063 T HN 0.222 nan 8.240 nan 0.000 0.500 1064 E N 2.415 122.630 120.200 0.024 0.000 2.152 1064 E HA 0.404 4.759 4.350 0.008 0.000 0.285 1064 E C -0.481 176.030 176.600 -0.149 0.000 1.043 1064 E CA -0.420 55.939 56.400 -0.069 0.000 0.839 1064 E CB 0.428 30.106 29.700 -0.037 0.000 1.069 1064 E HN 0.479 nan 8.360 nan 0.000 0.399 1065 L N 3.638 124.693 121.223 -0.280 0.000 2.426 1065 L HA 0.114 4.459 4.340 0.008 0.000 0.271 1065 L C 0.749 177.431 176.870 -0.314 0.000 1.169 1065 L CA -0.271 54.346 54.840 -0.371 0.000 0.836 1065 L CB 1.049 42.761 42.059 -0.579 0.000 1.112 1065 L HN 0.611 nan 8.230 nan 0.000 0.465 1066 S N 1.261 116.805 115.700 -0.260 0.000 2.652 1066 S HA 0.085 4.560 4.470 0.008 0.000 0.270 1066 S C 0.643 175.068 174.600 -0.291 0.000 1.243 1066 S CA -0.672 57.405 58.200 -0.205 0.000 0.999 1066 S CB 1.574 64.697 63.200 -0.129 0.000 0.973 1066 S HN 0.675 nan 8.310 nan 0.000 0.544 1067 Q N 0.828 120.502 119.800 -0.209 0.000 2.181 1067 Q HA -0.136 4.209 4.340 0.008 0.000 0.205 1067 Q C 2.086 177.983 176.000 -0.173 0.000 0.980 1067 Q CA 2.041 57.716 55.803 -0.212 0.000 0.862 1067 Q CB -0.743 27.998 28.738 0.006 0.000 0.905 1067 Q HN 0.831 nan 8.270 nan 0.000 0.429 1068 S N 0.421 116.046 115.700 -0.124 0.000 2.368 1068 S HA -0.095 4.381 4.470 0.008 0.000 0.224 1068 S C 1.577 176.110 174.600 -0.111 0.000 1.029 1068 S CA 1.176 59.321 58.200 -0.091 0.000 0.988 1068 S CB -0.062 63.097 63.200 -0.069 0.000 0.838 1068 S HN 0.459 nan 8.310 nan 0.000 0.462 1069 N N 1.485 120.090 118.700 -0.158 0.000 2.120 1069 N HA -0.005 4.740 4.740 0.008 0.000 0.188 1069 N C 1.801 177.207 175.510 -0.174 0.000 1.024 1069 N CA 1.431 54.379 53.050 -0.170 0.000 0.852 1069 N CB -0.517 37.826 38.487 -0.241 0.000 1.003 1069 N HN 0.472 nan 8.380 nan 0.000 0.424 1070 I N 1.015 121.435 120.570 -0.251 0.000 2.202 1070 I HA -0.222 3.953 4.170 0.008 0.000 0.242 1070 I C 2.428 178.535 176.117 -0.017 0.000 1.091 1070 I CA 1.041 62.220 61.300 -0.203 0.000 1.368 1070 I CB -0.203 37.484 38.000 -0.521 0.000 1.058 1070 I HN 0.047 nan 8.210 nan 0.000 0.410 1071 E N 1.409 121.581 120.200 -0.047 0.000 2.085 1071 E HA -0.290 4.065 4.350 0.008 0.000 0.194 1071 E C 1.997 178.642 176.600 0.075 0.000 0.994 1071 E CA 1.666 58.096 56.400 0.050 0.000 0.801 1071 E CB -0.148 29.562 29.700 0.017 0.000 0.743 1071 E HN 0.451 nan 8.360 nan 0.000 0.453 1072 E N -0.180 120.024 120.200 0.007 0.000 2.072 1072 E HA -0.212 4.143 4.350 0.008 0.000 0.191 1072 E C 2.260 178.853 176.600 -0.013 0.000 0.985 1072 E CA 0.911 57.306 56.400 -0.009 0.000 0.801 1072 E CB -0.102 29.579 29.700 -0.033 0.000 0.750 1072 E HN 0.144 nan 8.360 nan 0.000 0.452 1073 R N -0.667 119.829 120.500 -0.007 0.000 2.092 1073 R HA -0.188 4.157 4.340 0.008 0.000 0.231 1073 R C 2.341 178.545 176.300 -0.159 0.000 1.119 1073 R CA 1.447 57.530 56.100 -0.029 0.000 0.970 1073 R CB -0.364 29.974 30.300 0.063 0.000 0.864 1073 R HN 0.267 nan 8.270 nan 0.000 0.440 1074 Y N 1.455 121.564 120.300 -0.317 0.000 2.114 1074 Y HA -0.214 4.341 4.550 0.008 0.000 0.284 1074 Y C 1.711 177.557 175.900 -0.089 0.000 1.143 1074 Y CA 1.825 59.665 58.100 -0.434 0.000 1.135 1074 Y CB -0.120 38.251 38.460 -0.148 0.000 0.980 1074 Y HN -0.063 nan 8.280 nan 0.000 0.499 1075 K N 0.014 120.335 120.400 -0.132 0.000 2.057 1075 K HA -0.155 4.170 4.320 0.008 0.000 0.207 1075 K C 2.157 178.688 176.600 -0.114 0.000 1.049 1075 K CA 1.952 58.133 56.287 -0.176 0.000 0.931 1075 K CB -0.324 32.139 32.500 -0.062 0.000 0.714 1075 K HN 0.368 nan 8.250 nan 0.000 0.440 1076 I N 1.321 121.843 120.570 -0.080 0.000 2.179 1076 I HA -0.304 3.872 4.170 0.008 0.000 0.242 1076 I C 2.152 178.245 176.117 -0.039 0.000 1.088 1076 I CA 1.461 62.725 61.300 -0.060 0.000 1.357 1076 I CB -0.178 37.783 38.000 -0.065 0.000 1.051 1076 I HN 0.232 nan 8.210 nan 0.000 0.409 1077 Q N -0.328 119.451 119.800 -0.035 0.000 2.472 1077 Q HA -0.022 4.323 4.340 0.008 0.000 0.208 1077 Q C 2.128 178.069 176.000 -0.098 0.000 0.958 1077 Q CA 0.660 56.472 55.803 0.015 0.000 0.932 1077 Q CB 0.205 29.079 28.738 0.227 0.000 1.007 1077 Q HN 0.381 nan 8.270 nan 0.000 0.508 1078 S N -0.097 115.542 115.700 -0.103 0.000 2.458 1078 S HA -0.033 4.442 4.470 0.008 0.000 0.223 1078 S C 0.222 174.703 174.600 -0.198 0.000 1.019 1078 S CA -0.183 57.896 58.200 -0.201 0.000 0.937 1078 S CB -0.048 62.988 63.200 -0.272 0.000 0.788 1078 S HN 0.386 nan 8.310 nan 0.000 0.511 1079 Y N 3.848 124.014 120.300 -0.224 0.000 2.712 1079 Y HA 0.254 4.808 4.550 0.007 0.000 0.333 1079 Y C 0.283 175.997 175.900 -0.309 0.000 1.225 1079 Y CA -0.043 57.918 58.100 -0.231 0.000 1.499 1079 Y CB 0.257 38.606 38.460 -0.184 0.000 1.288 1079 Y HN 0.139 nan 8.280 nan 0.000 0.575 1080 S N 3.788 118.594 115.700 -1.490 0.000 2.543 1080 S HA 0.282 4.757 4.470 0.008 0.000 0.274 1080 S C -0.215 173.572 174.600 -1.354 0.000 1.149 1080 S CA -0.968 56.386 58.200 -1.410 0.000 0.866 1080 S CB 1.552 63.772 63.200 -1.633 0.000 1.111 1080 S HN 0.698 nan 8.310 nan 0.000 0.457 1081 E N 0.361 120.007 120.200 -0.922 0.000 2.274 1081 E HA 0.008 4.364 4.350 0.008 0.000 0.194 1081 E C 0.234 176.621 176.600 -0.355 0.000 0.996 1081 E CA 0.998 57.118 56.400 -0.466 0.000 0.840 1081 E CB -0.216 29.375 29.700 -0.182 0.000 0.772 1081 E HN 0.802 nan 8.360 nan 0.000 0.491 1082 Y N -0.352 119.803 120.300 -0.242 0.000 2.432 1082 Y HA 0.546 5.100 4.550 0.007 0.000 0.322 1082 Y C 0.347 176.122 175.900 -0.209 0.000 1.246 1082 Y CA -1.401 56.580 58.100 -0.197 0.000 1.268 1082 Y CB 0.204 38.562 38.460 -0.169 0.000 1.276 1082 Y HN -0.314 nan 8.280 nan 0.000 0.499 1083 L N 2.069 123.329 121.223 0.062 0.000 2.454 1083 L HA 0.447 4.792 4.340 0.008 0.000 0.256 1083 L C 0.101 177.028 176.870 0.095 0.000 1.136 1083 L CA -0.708 54.138 54.840 0.010 0.000 0.804 1083 L CB 0.730 42.763 42.059 -0.043 0.000 1.181 1083 L HN 0.690 nan 8.230 nan 0.000 0.469 1084 K N -0.243 120.182 120.400 0.043 0.000 2.306 1084 K HA 0.398 4.723 4.320 0.008 0.000 0.236 1084 K C -1.296 175.259 176.600 -0.074 0.000 1.013 1084 K CA -0.946 55.324 56.287 -0.028 0.000 0.857 1084 K CB 1.431 33.866 32.500 -0.108 0.000 1.214 1084 K HN 0.598 nan 8.250 nan 0.000 0.449 1085 D N -0.556 119.766 120.400 -0.131 0.000 2.478 1085 D HA 0.026 4.671 4.640 0.008 0.000 0.263 1085 D C 0.765 176.976 176.300 -0.147 0.000 1.153 1085 D CA -0.616 53.316 54.000 -0.113 0.000 1.038 1085 D CB 0.152 40.916 40.800 -0.061 0.000 1.120 1085 D HN 0.435 nan 8.370 nan 0.000 0.564 1086 F N -0.471 119.277 119.950 -0.337 0.000 2.147 1086 F HA -0.125 4.407 4.527 0.009 0.000 0.301 1086 F C 1.389 176.933 175.800 -0.427 0.000 1.084 1086 F CA 1.418 59.128 58.000 -0.484 0.000 1.268 1086 F CB -0.097 38.376 39.000 -0.878 0.000 1.009 1086 F HN 0.400 nan 8.300 nan 0.000 0.486 1087 W N -0.528 120.807 121.300 0.058 0.000 2.905 1087 W HA 0.277 4.941 4.660 0.008 0.000 0.251 1087 W C 1.870 178.306 176.519 -0.138 0.000 1.305 1087 W CA 0.518 57.867 57.345 0.008 0.000 1.465 1087 W CB -0.240 29.281 29.460 0.102 0.000 1.122 1087 W HN 0.206 nan 8.180 nan 0.000 0.659 1088 G N -0.269 108.290 108.800 -0.402 0.000 2.179 1088 G HA2 -0.255 3.711 3.960 0.008 0.000 0.220 1088 G HA3 -0.255 3.711 3.960 0.008 0.000 0.220 1088 G C 0.134 174.886 174.900 -0.247 0.000 0.990 1088 G CA -0.486 44.113 45.100 -0.835 0.000 0.646 1088 G HN 0.133 nan 8.290 nan 0.000 0.517 1089 N N 1.254 119.936 118.700 -0.030 0.000 2.463 1089 N HA 0.478 5.223 4.740 0.008 0.000 0.270 1089 N C -2.693 172.731 175.510 -0.144 0.000 1.205 1089 N CA -1.338 51.674 53.050 -0.064 0.000 0.974 1089 N CB 0.689 39.200 38.487 0.040 0.000 1.197 1089 N HN 0.015 nan 8.380 nan 0.000 0.504 1090 P HA 0.003 nan 4.420 nan 0.000 0.265 1090 P C -0.128 177.041 177.300 -0.218 0.000 1.193 1090 P CA -0.212 62.624 63.100 -0.440 0.000 0.765 1090 P CB 0.455 31.648 31.700 -0.845 0.000 0.823 1091 L N 4.636 125.757 121.223 -0.170 0.000 2.380 1091 L HA 0.267 4.612 4.340 0.008 0.000 0.273 1091 L C -0.179 176.601 176.870 -0.151 0.000 1.138 1091 L CA 0.915 55.670 54.840 -0.143 0.000 0.832 1091 L CB -0.146 41.780 42.059 -0.222 0.000 1.124 1091 L HN 0.281 nan 8.230 nan 0.000 0.454 1092 M N 4.168 123.763 119.600 -0.009 0.000 2.662 1092 M HA 0.329 4.814 4.480 0.008 0.000 0.310 1092 M C -0.839 175.377 176.300 -0.141 0.000 1.204 1092 M CA -0.463 54.789 55.300 -0.080 0.000 0.891 1092 M CB 1.610 34.196 32.600 -0.024 0.000 1.732 1092 M HN 0.376 nan 8.290 nan 0.000 0.467 1093 Y N 1.045 121.324 120.300 -0.034 0.000 2.316 1093 Y HA 0.209 4.764 4.550 0.008 0.000 0.324 1093 Y C 0.948 176.817 175.900 -0.051 0.000 1.267 1093 Y CA 0.288 58.365 58.100 -0.038 0.000 1.311 1093 Y CB 0.602 39.041 38.460 -0.035 0.000 1.267 1093 Y HN 0.743 nan 8.280 nan 0.000 0.516 1094 N N 0.961 119.745 118.700 0.141 0.000 2.721 1094 N HA -0.252 4.493 4.740 0.008 0.000 0.249 1094 N C -0.808 174.682 175.510 -0.032 0.000 1.072 1094 N CA 0.910 53.999 53.050 0.065 0.000 0.710 1094 N CB -0.877 37.654 38.487 0.072 0.000 0.993 1094 N HN 0.577 nan 8.380 nan 0.000 0.547 1095 K N 0.906 121.212 120.400 -0.158 0.000 2.471 1095 K HA 0.233 4.558 4.320 0.008 0.000 0.252 1095 K C -0.534 175.758 176.600 -0.513 0.000 0.938 1095 K CA -0.523 55.547 56.287 -0.361 0.000 0.796 1095 K CB 1.562 33.739 32.500 -0.539 0.000 1.161 1095 K HN 0.026 nan 8.250 nan 0.000 0.425 1096 E N 3.156 123.173 120.200 -0.306 0.000 2.376 1096 E HA 0.043 4.398 4.350 0.008 0.000 0.266 1096 E C -0.985 175.443 176.600 -0.287 0.000 1.009 1096 E CA 0.388 56.679 56.400 -0.182 0.000 0.902 1096 E CB 0.545 30.189 29.700 -0.094 0.000 0.972 1096 E HN 0.402 nan 8.360 nan 0.000 0.439 1097 Y N 1.019 121.351 120.300 0.053 0.000 2.504 1097 Y HA 0.265 4.820 4.550 0.008 0.000 0.344 1097 Y C -0.658 175.311 175.900 0.115 0.000 1.023 1097 Y CA -1.214 56.970 58.100 0.141 0.000 1.020 1097 Y CB 1.380 40.048 38.460 0.347 0.000 1.282 1097 Y HN 0.445 nan 8.280 nan 0.000 0.454 1098 Y N 1.891 122.456 120.300 0.441 0.000 2.354 1098 Y HA 0.511 5.066 4.550 0.008 0.000 0.322 1098 Y C 0.101 176.143 175.900 0.237 0.000 1.253 1098 Y CA -0.723 57.580 58.100 0.339 0.000 1.272 1098 Y CB 1.040 39.627 38.460 0.211 0.000 1.255 1098 Y HN 0.336 nan 8.280 nan 0.000 0.500 1099 M N 2.608 122.390 119.600 0.304 0.000 2.336 1099 M HA 0.314 4.799 4.480 0.008 0.000 0.342 1099 M C -1.421 174.977 176.300 0.162 0.000 1.128 1099 M CA -0.550 54.740 55.300 -0.016 0.000 1.016 1099 M CB 1.440 33.754 32.600 -0.477 0.000 1.665 1099 M HN 0.570 nan 8.290 nan 0.000 0.445 1100 F N 3.279 123.221 119.950 -0.013 0.000 2.508 1100 F HA 0.508 5.041 4.527 0.009 0.000 0.325 1100 F C -0.722 175.124 175.800 0.077 0.000 1.090 1100 F CA -0.700 57.313 58.000 0.022 0.000 0.945 1100 F CB 1.178 40.147 39.000 -0.052 0.000 1.156 1100 F HN 0.473 nan 8.300 nan 0.000 0.463 1101 N N 4.009 122.123 118.700 -0.977 0.000 2.479 1101 N HA 0.343 5.088 4.740 0.008 0.000 0.261 1101 N C 0.197 174.973 175.510 -1.224 0.000 0.979 1101 N CA 0.174 52.598 53.050 -1.044 0.000 0.930 1101 N CB 2.019 39.942 38.487 -0.940 0.000 1.172 1101 N HN 0.879 nan 8.380 nan 0.000 0.499 1102 A N 2.665 124.999 122.820 -0.809 0.000 2.070 1102 A HA -0.001 4.324 4.320 0.008 0.000 0.220 1102 A C 1.640 179.050 177.584 -0.291 0.000 1.159 1102 A CA 1.724 53.526 52.037 -0.391 0.000 0.656 1102 A CB -0.305 18.650 19.000 -0.074 0.000 0.800 1102 A HN 0.684 nan 8.150 nan 0.000 0.453 1103 G N -1.251 107.335 108.800 -0.358 0.000 2.838 1103 G HA2 0.183 4.148 3.960 0.008 0.000 0.210 1103 G HA3 0.183 4.148 3.960 0.008 0.000 0.210 1103 G C 0.139 174.913 174.900 -0.209 0.000 1.153 1103 G CA 0.208 45.173 45.100 -0.224 0.000 0.778 1103 G HN 0.540 nan 8.290 nan 0.000 0.539 1104 N N -0.164 118.353 118.700 -0.305 0.000 2.687 1104 N HA 0.216 4.961 4.740 0.008 0.000 0.275 1104 N C 0.882 176.238 175.510 -0.257 0.000 1.789 1104 N CA -0.374 52.543 53.050 -0.223 0.000 0.806 1104 N CB 1.228 39.595 38.487 -0.201 0.000 1.256 1104 N HN -0.011 nan 8.380 nan 0.000 0.500 1105 K N 0.202 120.480 120.400 -0.203 0.000 2.077 1105 K HA -0.168 4.157 4.320 0.008 0.000 0.213 1105 K C 0.527 177.177 176.600 0.084 0.000 1.051 1105 K CA 1.279 57.528 56.287 -0.063 0.000 0.929 1105 K CB -0.027 32.567 32.500 0.157 0.000 0.715 1105 K HN 0.311 nan 8.250 nan 0.000 0.451 1106 N N 0.416 119.154 118.700 0.064 0.000 2.370 1106 N HA 0.026 4.771 4.740 0.008 0.000 0.198 1106 N C -0.574 174.992 175.510 0.094 0.000 1.156 1106 N CA 0.241 53.355 53.050 0.106 0.000 0.839 1106 N CB 0.569 39.110 38.487 0.090 0.000 0.989 1106 N HN 0.014 nan 8.380 nan 0.000 0.468 1107 S N 0.330 116.051 115.700 0.035 0.000 2.593 1107 S HA 0.609 5.084 4.470 0.008 0.000 0.297 1107 S C -0.575 174.089 174.600 0.108 0.000 1.112 1107 S CA -0.712 57.492 58.200 0.006 0.000 1.043 1107 S CB 1.276 64.436 63.200 -0.066 0.000 1.054 1107 S HN 0.370 nan 8.310 nan 0.000 0.516 1108 Y N -1.113 119.196 120.300 0.016 0.000 2.597 1108 Y HA 0.766 5.321 4.550 0.008 0.000 0.340 1108 Y C -1.511 174.400 175.900 0.017 0.000 1.097 1108 Y CA -1.514 56.610 58.100 0.040 0.000 1.037 1108 Y CB 0.483 38.978 38.460 0.059 0.000 1.305 1108 Y HN 0.496 nan 8.280 nan 0.000 0.463 1109 I N 2.986 123.674 120.570 0.197 0.000 2.353 1109 I HA 0.460 4.635 4.170 0.008 0.000 0.293 1109 I C -0.416 175.769 176.117 0.114 0.000 0.992 1109 I CA -0.671 60.638 61.300 0.014 0.000 1.268 1109 I CB 1.578 39.457 38.000 -0.202 0.000 1.387 1109 I HN 0.658 nan 8.210 nan 0.000 0.478 1110 K N 6.171 126.570 120.400 -0.002 0.000 2.482 1110 K HA 0.417 4.742 4.320 0.008 0.000 0.251 1110 K C -1.353 175.229 176.600 -0.030 0.000 0.936 1110 K CA -0.916 55.388 56.287 0.028 0.000 0.791 1110 K CB 2.059 34.618 32.500 0.098 0.000 1.213 1110 K HN 0.454 nan 8.250 nan 0.000 0.428 1111 L N 3.770 124.968 121.223 -0.042 0.000 2.513 1111 L HA 0.153 4.498 4.340 0.008 0.000 0.272 1111 L C -0.140 176.750 176.870 0.032 0.000 1.187 1111 L CA 0.709 55.552 54.840 0.005 0.000 0.895 1111 L CB 0.257 42.348 42.059 0.053 0.000 1.147 1111 L HN 0.622 nan 8.230 nan 0.000 0.483 1112 K N 3.722 124.159 120.400 0.061 0.000 2.412 1112 K HA -0.030 4.295 4.320 0.008 0.000 0.281 1112 K C 1.081 177.717 176.600 0.061 0.000 1.027 1112 K CA -0.201 56.121 56.287 0.058 0.000 0.989 1112 K CB 0.977 33.538 32.500 0.101 0.000 0.935 1112 K HN 0.679 nan 8.250 nan 0.000 0.475 1113 K N 2.775 123.199 120.400 0.039 0.000 2.005 1113 K HA -0.243 4.082 4.320 0.008 0.000 0.229 1113 K C 0.066 176.700 176.600 0.056 0.000 1.050 1113 K CA 2.360 58.669 56.287 0.036 0.000 0.994 1113 K CB -0.024 32.491 32.500 0.025 0.000 0.736 1113 K HN 0.675 nan 8.250 nan 0.000 0.448 1114 D N 0.140 120.576 120.400 0.060 0.000 3.035 1114 D HA 0.219 4.864 4.640 0.008 0.000 0.290 1114 D C -0.935 175.415 176.300 0.084 0.000 1.360 1114 D CA 0.063 54.106 54.000 0.072 0.000 0.862 1114 D CB 0.538 41.372 40.800 0.057 0.000 1.078 1114 D HN 0.047 nan 8.370 nan 0.000 0.487 1115 S N 1.111 116.872 115.700 0.102 0.000 2.566 1115 S HA 0.268 4.743 4.470 0.008 0.000 0.273 1115 S C -2.574 172.105 174.600 0.131 0.000 1.157 1115 S CA -0.859 57.407 58.200 0.110 0.000 0.938 1115 S CB 2.906 66.168 63.200 0.104 0.000 1.087 1115 S HN 0.004 nan 8.310 nan 0.000 0.474 1116 P HA 0.149 nan 4.420 nan 0.000 0.249 1116 P C -0.236 177.100 177.300 0.061 0.000 1.686 1116 P CA 0.063 63.180 63.100 0.030 0.000 0.873 1116 P CB -0.582 31.009 31.700 -0.182 0.000 1.828 1117 V N -3.283 116.720 119.914 0.148 0.000 3.130 1117 V HA 0.928 5.053 4.120 0.008 0.000 0.310 1117 V C -0.121 176.108 176.094 0.225 0.000 1.158 1117 V CA -1.192 61.231 62.300 0.205 0.000 1.029 1117 V CB 1.791 33.745 31.823 0.219 0.000 1.057 1117 V HN 0.104 nan 8.190 nan 0.000 0.436 1118 G N 1.784 110.764 108.800 0.300 0.000 2.377 1118 G HA2 0.586 4.551 3.960 0.008 0.000 0.316 1118 G HA3 0.586 4.551 3.960 0.008 0.000 0.316 1118 G C -0.276 174.727 174.900 0.171 0.000 1.115 1118 G CA -0.339 44.890 45.100 0.215 0.000 0.952 1118 G HN 1.068 nan 8.290 nan 0.000 0.441 1119 E N 2.254 122.447 120.200 -0.012 0.000 2.319 1119 E HA 0.416 4.771 4.350 0.008 0.000 0.268 1119 E C -0.541 175.918 176.600 -0.234 0.000 1.050 1119 E CA -0.841 55.399 56.400 -0.267 0.000 0.878 1119 E CB 1.550 31.083 29.700 -0.278 0.000 1.066 1119 E HN 0.107 nan 8.360 nan 0.000 0.406 1120 I N 3.166 123.557 120.570 -0.298 0.000 2.339 1120 I HA 0.291 4.467 4.170 0.008 0.000 0.290 1120 I C -0.015 175.893 176.117 -0.348 0.000 0.994 1120 I CA -0.603 60.547 61.300 -0.249 0.000 1.191 1120 I CB 0.421 38.353 38.000 -0.113 0.000 1.343 1120 I HN 0.586 nan 8.210 nan 0.000 0.458 1121 L N 4.637 125.509 121.223 -0.585 0.000 2.286 1121 L HA 0.558 4.903 4.340 0.008 0.000 0.265 1121 L C 0.342 176.899 176.870 -0.523 0.000 1.012 1121 L CA -0.794 53.674 54.840 -0.620 0.000 0.818 1121 L CB 1.980 43.538 42.059 -0.836 0.000 1.337 1121 L HN 0.429 nan 8.230 nan 0.000 0.438 1122 T N 0.936 115.370 114.554 -0.200 0.000 2.771 1122 T HA 0.306 4.661 4.350 0.008 0.000 0.291 1122 T C 0.163 175.012 174.700 0.248 0.000 0.954 1122 T CA -0.542 61.565 62.100 0.012 0.000 1.045 1122 T CB 0.471 69.352 68.868 0.021 0.000 0.917 1122 T HN 0.373 nan 8.240 nan 0.000 0.484 1123 R N 2.286 122.989 120.500 0.337 0.000 2.638 1123 R HA 0.152 4.497 4.340 0.008 0.000 0.268 1123 R C 1.018 177.434 176.300 0.193 0.000 1.006 1123 R CA -0.159 56.142 56.100 0.335 0.000 1.088 1123 R CB 0.238 30.673 30.300 0.225 0.000 0.950 1123 R HN 0.764 nan 8.270 nan 0.000 0.419 1124 S N 2.316 118.096 115.700 0.134 0.000 2.608 1124 S HA 0.243 4.718 4.470 0.008 0.000 0.261 1124 S C -0.010 174.640 174.600 0.083 0.000 1.314 1124 S CA -0.621 57.632 58.200 0.087 0.000 0.992 1124 S CB 0.959 64.192 63.200 0.054 0.000 0.935 1124 S HN 0.659 nan 8.310 nan 0.000 0.564 1125 K N -0.766 119.659 120.400 0.042 0.000 2.433 1125 K HA 0.407 4.732 4.320 0.008 0.000 0.252 1125 K C -1.232 175.312 176.600 -0.093 0.000 1.015 1125 K CA -1.097 55.190 56.287 -0.000 0.000 0.860 1125 K CB 0.529 33.028 32.500 -0.001 0.000 1.359 1125 K HN 0.533 nan 8.250 nan 0.000 0.452 1126 Y N 2.154 122.170 120.300 -0.473 0.000 2.805 1126 Y HA -0.079 4.477 4.550 0.009 0.000 0.331 1126 Y C 0.149 175.923 175.900 -0.210 0.000 1.241 1126 Y CA 0.547 58.318 58.100 -0.549 0.000 1.546 1126 Y CB 0.202 38.134 38.460 -0.880 0.000 1.248 1126 Y HN 0.649 nan 8.280 nan 0.000 0.559 1127 N N 3.860 122.177 118.700 -0.638 0.000 2.439 1127 N HA -0.037 4.708 4.740 0.008 0.000 0.176 1127 N C 0.203 175.310 175.510 -0.672 0.000 1.029 1127 N CA 0.392 53.132 53.050 -0.517 0.000 0.886 1127 N CB 0.002 38.342 38.487 -0.246 0.000 1.057 1127 N HN 0.744 nan 8.380 nan 0.000 0.437 1128 Q N 1.178 120.403 119.800 -0.959 0.000 2.839 1128 Q HA -0.009 4.336 4.340 0.008 0.000 0.229 1128 Q C 0.966 176.732 176.000 -0.391 0.000 1.140 1128 Q CA 0.355 55.833 55.803 -0.543 0.000 1.077 1128 Q CB 0.270 28.885 28.738 -0.205 0.000 1.335 1128 Q HN 0.382 nan 8.270 nan 0.000 0.610 1129 N N -0.622 118.031 118.700 -0.079 0.000 2.280 1129 N HA -0.041 4.704 4.740 0.008 0.000 0.192 1129 N C -0.044 175.531 175.510 0.108 0.000 1.109 1129 N CA 0.037 53.090 53.050 0.005 0.000 0.855 1129 N CB 0.381 38.863 38.487 -0.008 0.000 0.974 1129 N HN 0.230 nan 8.380 nan 0.000 0.482 1130 S N 1.392 117.237 115.700 0.241 0.000 2.563 1130 S HA -0.039 4.436 4.470 0.008 0.000 0.294 1130 S C 1.311 175.983 174.600 0.120 0.000 1.279 1130 S CA -0.323 57.996 58.200 0.197 0.000 1.069 1130 S CB 0.551 63.879 63.200 0.213 0.000 0.828 1130 S HN 0.548 nan 8.310 nan 0.000 0.497 1131 K N 3.860 124.238 120.400 -0.037 0.000 2.418 1131 K HA 0.008 4.333 4.320 0.008 0.000 0.195 1131 K C 0.724 177.182 176.600 -0.236 0.000 1.035 1131 K CA 0.875 57.063 56.287 -0.166 0.000 1.003 1131 K CB -0.157 32.162 32.500 -0.302 0.000 0.793 1131 K HN 0.718 nan 8.250 nan 0.000 0.494 1132 Y N 2.135 122.402 120.300 -0.056 0.000 2.490 1132 Y HA 0.215 4.770 4.550 0.009 0.000 0.285 1132 Y C 1.243 177.039 175.900 -0.173 0.000 1.117 1132 Y CA -0.355 57.682 58.100 -0.104 0.000 1.262 1132 Y CB 0.248 38.632 38.460 -0.126 0.000 1.043 1132 Y HN 0.117 nan 8.280 nan 0.000 0.553 1133 I N -2.153 118.354 120.570 -0.105 0.000 2.892 1133 I HA 0.529 4.704 4.170 0.008 0.000 0.306 1133 I C -0.928 175.066 176.117 -0.206 0.000 1.078 1133 I CA -1.140 60.008 61.300 -0.253 0.000 1.032 1133 I CB 2.481 40.114 38.000 -0.613 0.000 1.229 1133 I HN -0.102 nan 8.210 nan 0.000 0.435 1134 N N 2.566 121.230 118.700 -0.060 0.000 2.710 1134 N HA 0.443 5.188 4.740 0.008 0.000 0.257 1134 N C -2.154 173.469 175.510 0.189 0.000 1.140 1134 N CA -0.211 52.847 53.050 0.014 0.000 0.953 1134 N CB 2.747 41.286 38.487 0.087 0.000 1.664 1134 N HN 0.873 nan 8.380 nan 0.000 0.497 1135 Y N -0.625 119.816 120.300 0.234 0.000 2.814 1135 Y HA 0.581 5.137 4.550 0.009 0.000 0.348 1135 Y C -1.720 174.334 175.900 0.256 0.000 1.245 1135 Y CA -1.102 57.163 58.100 0.275 0.000 1.086 1135 Y CB 0.559 39.248 38.460 0.382 0.000 1.373 1135 Y HN 0.294 nan 8.280 nan 0.000 0.451 1136 R N 1.364 122.153 120.500 0.482 0.000 2.532 1136 R HA 0.324 4.670 4.340 0.008 0.000 0.295 1136 R C -1.293 175.264 176.300 0.427 0.000 0.968 1136 R CA -0.890 55.404 56.100 0.324 0.000 0.916 1136 R CB 1.378 31.808 30.300 0.216 0.000 1.124 1136 R HN 0.794 nan 8.270 nan 0.000 0.463 1137 D N 2.537 123.116 120.400 0.298 0.000 2.455 1137 D HA 0.008 4.653 4.640 0.008 0.000 0.241 1137 D C 1.207 177.470 176.300 -0.062 0.000 1.138 1137 D CA 0.270 54.386 54.000 0.193 0.000 0.877 1137 D CB 1.169 42.028 40.800 0.097 0.000 1.187 1137 D HN 0.360 nan 8.370 nan 0.000 0.451 1138 L N 1.275 122.327 121.223 -0.286 0.000 2.470 1138 L HA 0.021 4.366 4.340 0.008 0.000 0.219 1138 L C 0.449 176.998 176.870 -0.535 0.000 1.071 1138 L CA 0.195 54.708 54.840 -0.545 0.000 0.850 1138 L CB 0.101 41.547 42.059 -1.021 0.000 1.040 1138 L HN 0.324 nan 8.230 nan 0.000 0.475 1139 Y N 1.695 121.691 120.300 -0.507 0.000 2.735 1139 Y HA 0.466 5.021 4.550 0.008 0.000 0.354 1139 Y C 0.045 175.360 175.900 -0.974 0.000 1.288 1139 Y CA -0.878 56.532 58.100 -1.150 0.000 1.836 1139 Y CB -0.327 37.779 38.460 -0.591 0.000 1.920 1139 Y HN 0.000 nan 8.280 nan 0.000 0.438 1140 I N -0.507 119.668 120.570 -0.658 0.000 3.095 1140 I HA 0.840 5.015 4.170 0.008 0.000 0.310 1140 I C 0.262 176.296 176.117 -0.140 0.000 1.196 1140 I CA -0.316 60.752 61.300 -0.387 0.000 0.985 1140 I CB 2.220 39.863 38.000 -0.595 0.000 1.250 1140 I HN 0.506 nan 8.210 nan 0.000 0.446 1141 G N 3.914 112.636 108.800 -0.129 0.000 2.728 1141 G HA2 -0.118 3.848 3.960 0.008 0.000 0.294 1141 G HA3 -0.118 3.848 3.960 0.008 0.000 0.294 1141 G C -0.915 174.117 174.900 0.219 0.000 1.342 1141 G CA -0.616 44.601 45.100 0.194 0.000 0.866 1141 G HN 0.727 nan 8.290 nan 0.000 0.534 1142 E N 0.558 120.803 120.200 0.075 0.000 2.418 1142 E HA 0.207 4.562 4.350 0.008 0.000 0.261 1142 E C 0.465 176.942 176.600 -0.205 0.000 1.070 1142 E CA 0.262 56.563 56.400 -0.166 0.000 0.931 1142 E CB 0.455 29.776 29.700 -0.633 0.000 0.954 1142 E HN 0.478 nan 8.360 nan 0.000 0.439 1143 K N 2.473 122.754 120.400 -0.197 0.000 2.268 1143 K HA 0.257 4.582 4.320 0.008 0.000 0.276 1143 K C -0.384 176.132 176.600 -0.141 0.000 1.080 1143 K CA -0.229 55.932 56.287 -0.210 0.000 0.910 1143 K CB 0.283 32.724 32.500 -0.100 0.000 1.163 1143 K HN 0.214 nan 8.250 nan 0.000 0.465 1144 F N 2.381 122.376 119.950 0.074 0.000 2.368 1144 F HA 0.503 5.035 4.527 0.008 0.000 0.315 1144 F C 0.493 176.347 175.800 0.091 0.000 1.145 1144 F CA -0.826 57.251 58.000 0.129 0.000 1.095 1144 F CB 0.735 39.854 39.000 0.199 0.000 1.286 1144 F HN 0.330 nan 8.300 nan 0.000 0.530 1145 I N 1.547 122.256 120.570 0.231 0.000 2.680 1145 I HA 0.390 4.565 4.170 0.008 0.000 0.291 1145 I C -1.502 174.683 176.117 0.113 0.000 1.244 1145 I CA -0.435 60.929 61.300 0.107 0.000 1.042 1145 I CB 1.413 39.419 38.000 0.010 0.000 1.277 1145 I HN 0.374 nan 8.210 nan 0.000 0.423 1146 I N 7.036 127.651 120.570 0.075 0.000 2.331 1146 I HA 0.457 4.633 4.170 0.008 0.000 0.292 1146 I C -0.247 176.004 176.117 0.224 0.000 0.998 1146 I CA -0.699 60.639 61.300 0.064 0.000 1.267 1146 I CB 0.824 38.723 38.000 -0.170 0.000 1.386 1146 I HN 0.386 nan 8.210 nan 0.000 0.476 1147 R N 5.319 125.984 120.500 0.275 0.000 2.711 1147 R HA 0.518 4.863 4.340 0.008 0.000 0.284 1147 R C -0.406 176.009 176.300 0.191 0.000 0.968 1147 R CA -1.094 55.173 56.100 0.278 0.000 0.924 1147 R CB 1.600 32.057 30.300 0.262 0.000 1.162 1147 R HN 0.568 nan 8.270 nan 0.000 0.465 1148 R N 1.244 121.664 120.500 -0.135 0.000 2.543 1148 R HA -0.004 4.341 4.340 0.008 0.000 0.277 1148 R C 1.077 177.235 176.300 -0.237 0.000 1.074 1148 R CA 0.007 55.854 56.100 -0.421 0.000 1.076 1148 R CB 0.772 30.681 30.300 -0.652 0.000 0.993 1148 R HN 0.431 nan 8.270 nan 0.000 0.459 1149 K N 1.863 122.089 120.400 -0.290 0.000 1.995 1149 K HA -0.029 4.296 4.320 0.008 0.000 0.207 1149 K C 0.562 177.085 176.600 -0.129 0.000 1.041 1149 K CA 1.533 57.601 56.287 -0.364 0.000 0.942 1149 K CB -0.147 32.159 32.500 -0.324 0.000 0.731 1149 K HN 0.606 nan 8.250 nan 0.000 0.439 1150 S N 0.925 116.570 115.700 -0.092 0.000 2.623 1150 S HA 0.202 4.678 4.470 0.008 0.000 0.278 1150 S C -0.821 173.748 174.600 -0.051 0.000 1.148 1150 S CA -0.256 57.916 58.200 -0.046 0.000 1.028 1150 S CB -0.087 63.094 63.200 -0.031 0.000 1.145 1150 S HN 0.597 nan 8.310 nan 0.000 0.523 1151 N N -0.047 118.634 118.700 -0.031 0.000 2.472 1151 N HA -0.181 4.565 4.740 0.008 0.000 0.294 1151 N C -0.206 175.286 175.510 -0.031 0.000 1.496 1151 N CA 0.740 53.772 53.050 -0.031 0.000 0.716 1151 N CB -1.457 37.005 38.487 -0.043 0.000 0.993 1151 N HN 1.117 nan 8.380 nan 0.000 0.470 1152 S N -0.832 114.861 115.700 -0.011 0.000 3.122 1152 S HA 0.208 4.684 4.470 0.008 0.000 0.249 1152 S C 1.263 175.858 174.600 -0.010 0.000 1.334 1152 S CA 0.411 58.609 58.200 -0.004 0.000 1.251 1152 S CB 0.148 63.354 63.200 0.009 0.000 1.034 1152 S HN 0.958 nan 8.310 nan 0.000 0.478 1153 Q N 0.717 120.502 119.800 -0.024 0.000 2.292 1153 Q HA 0.560 4.905 4.340 0.008 0.000 0.247 1153 Q C 0.668 176.656 176.000 -0.021 0.000 0.911 1153 Q CA 0.216 56.006 55.803 -0.022 0.000 0.948 1153 Q CB -1.446 27.274 28.738 -0.030 0.000 1.093 1153 Q HN 0.778 nan 8.270 nan 0.000 0.428 1154 S N -0.860 114.833 115.700 -0.012 0.000 3.756 1154 S HA -0.203 4.273 4.470 0.008 0.000 0.640 1154 S C 0.509 175.102 174.600 -0.011 0.000 2.059 1154 S CA 0.531 58.728 58.200 -0.005 0.000 2.224 1154 S CB -1.027 62.172 63.200 -0.001 0.000 0.327 1154 S HN 1.561 nan 8.310 nan 0.000 1.789 1155 I N -1.579 118.993 120.570 0.003 0.000 2.886 1155 I HA 0.535 4.710 4.170 0.008 0.000 0.311 1155 I C 0.778 176.904 176.117 0.015 0.000 1.287 1155 I CA -0.108 61.198 61.300 0.010 0.000 0.995 1155 I CB -0.520 37.500 38.000 0.034 0.000 1.962 1155 I HN 0.633 nan 8.210 nan 0.000 0.586 1156 N N 2.656 121.358 118.700 0.005 0.000 2.131 1156 N HA 0.068 4.813 4.740 0.008 0.000 0.190 1156 N C 0.553 176.072 175.510 0.016 0.000 1.055 1156 N CA 1.465 54.519 53.050 0.008 0.000 0.853 1156 N CB -0.089 38.399 38.487 0.001 0.000 1.035 1156 N HN 0.669 nan 8.380 nan 0.000 0.440 1157 D N -3.137 117.276 120.400 0.021 0.000 2.926 1157 D HA 0.374 5.019 4.640 0.008 0.000 0.282 1157 D C -2.214 174.122 176.300 0.059 0.000 1.201 1157 D CA -0.424 53.604 54.000 0.047 0.000 0.735 1157 D CB 1.895 42.706 40.800 0.019 0.000 1.257 1157 D HN 0.423 nan 8.370 nan 0.000 0.428 1158 D N -0.247 120.220 120.400 0.113 0.000 2.972 1158 D HA 0.214 4.859 4.640 0.008 0.000 0.294 1158 D C -1.216 175.186 176.300 0.171 0.000 1.211 1158 D CA -0.423 53.652 54.000 0.125 0.000 0.732 1158 D CB 1.042 41.909 40.800 0.113 0.000 1.257 1158 D HN 0.266 nan 8.370 nan 0.000 0.435 1159 I N 1.353 121.986 120.570 0.105 0.000 2.365 1159 I HA 0.237 4.412 4.170 0.008 0.000 0.291 1159 I C 0.424 176.576 176.117 0.059 0.000 1.004 1159 I CA -0.784 60.516 61.300 -0.001 0.000 1.311 1159 I CB 1.501 39.451 38.000 -0.083 0.000 1.401 1159 I HN 0.045 nan 8.210 nan 0.000 0.491 1160 V N 7.517 127.316 119.914 -0.191 0.000 2.427 1160 V HA 0.270 4.395 4.120 0.008 0.000 0.268 1160 V C 0.474 176.517 176.094 -0.084 0.000 1.046 1160 V CA -0.376 61.734 62.300 -0.317 0.000 0.970 1160 V CB 0.185 31.625 31.823 -0.638 0.000 1.001 1160 V HN 0.688 nan 8.190 nan 0.000 0.476 1161 R N 3.308 123.807 120.500 -0.002 0.000 2.668 1161 R HA 0.496 4.841 4.340 0.008 0.000 0.279 1161 R C -0.274 175.980 176.300 -0.078 0.000 0.976 1161 R CA -1.060 55.033 56.100 -0.012 0.000 0.978 1161 R CB 1.679 31.990 30.300 0.018 0.000 1.133 1161 R HN 0.579 nan 8.270 nan 0.000 0.484 1162 K N 2.303 122.636 120.400 -0.111 0.000 2.489 1162 K HA -0.106 4.219 4.320 0.008 0.000 0.278 1162 K C 0.044 176.549 176.600 -0.158 0.000 1.000 1162 K CA 0.511 56.707 56.287 -0.152 0.000 1.012 1162 K CB 0.277 32.678 32.500 -0.163 0.000 0.903 1162 K HN 0.615 nan 8.250 nan 0.000 0.485 1163 E N -0.340 119.730 120.200 -0.217 0.000 4.155 1163 E HA -0.184 4.171 4.350 0.008 0.000 0.367 1163 E C -0.708 175.666 176.600 -0.377 0.000 0.631 1163 E CA 0.954 57.185 56.400 -0.282 0.000 1.351 1163 E CB -1.189 28.395 29.700 -0.195 0.000 1.759 1163 E HN 0.715 nan 8.360 nan 0.000 0.401 1164 D N 0.097 120.350 120.400 -0.244 0.000 2.423 1164 D HA 0.141 4.786 4.640 0.008 0.000 0.238 1164 D C 0.175 176.283 176.300 -0.320 0.000 1.142 1164 D CA 0.478 54.375 54.000 -0.172 0.000 0.884 1164 D CB 0.155 40.970 40.800 0.026 0.000 1.199 1164 D HN 0.002 nan 8.370 nan 0.000 0.438 1165 Y N 1.005 121.273 120.300 -0.054 0.000 2.320 1165 Y HA 0.386 4.941 4.550 0.008 0.000 0.334 1165 Y C 0.760 176.568 175.900 -0.153 0.000 1.055 1165 Y CA -0.591 57.443 58.100 -0.110 0.000 1.143 1165 Y CB 0.739 39.128 38.460 -0.119 0.000 1.193 1165 Y HN 0.181 nan 8.280 nan 0.000 0.477 1166 I N -1.030 119.502 120.570 -0.063 0.000 3.264 1166 I HA 0.605 4.780 4.170 0.008 0.000 0.315 1166 I C -1.915 174.097 176.117 -0.175 0.000 1.154 1166 I CA -1.427 59.804 61.300 -0.115 0.000 0.962 1166 I CB 2.817 40.829 38.000 0.020 0.000 1.265 1166 I HN 0.412 nan 8.210 nan 0.000 0.463 1167 Y N 1.960 122.307 120.300 0.077 0.000 2.364 1167 Y HA 0.590 5.146 4.550 0.009 0.000 0.340 1167 Y C -0.681 175.248 175.900 0.048 0.000 0.975 1167 Y CA -1.078 57.050 58.100 0.047 0.000 1.089 1167 Y CB 2.324 40.812 38.460 0.047 0.000 1.192 1167 Y HN 0.386 nan 8.280 nan 0.000 0.454 1168 L N 4.914 126.264 121.223 0.212 0.000 2.277 1168 L HA 0.488 4.833 4.340 0.008 0.000 0.284 1168 L C -1.100 175.934 176.870 0.273 0.000 1.028 1168 L CA -0.130 54.835 54.840 0.208 0.000 0.835 1168 L CB -0.076 42.083 42.059 0.167 0.000 1.215 1168 L HN 0.568 nan 8.230 nan 0.000 0.425 1169 D N 3.988 124.542 120.400 0.257 0.000 2.506 1169 D HA 0.702 5.347 4.640 0.008 0.000 0.254 1169 D C -0.836 175.621 176.300 0.263 0.000 1.089 1169 D CA 0.229 54.347 54.000 0.197 0.000 1.050 1169 D CB 1.597 42.374 40.800 -0.037 0.000 1.221 1169 D HN 0.325 nan 8.370 nan 0.000 0.589 1170 F N -1.891 117.889 119.950 -0.283 0.000 2.741 1170 F HA 0.614 5.146 4.527 0.008 0.000 0.311 1170 F C -1.960 173.472 175.800 -0.614 0.000 1.149 1170 F CA -1.452 56.228 58.000 -0.534 0.000 0.930 1170 F CB 0.513 39.069 39.000 -0.741 0.000 1.312 1170 F HN 0.030 nan 8.300 nan 0.000 0.450 1171 F N 2.035 121.838 119.950 -0.246 0.000 2.410 1171 F HA 0.428 4.960 4.527 0.008 0.000 0.349 1171 F C 0.224 175.759 175.800 -0.442 0.000 1.117 1171 F CA -0.534 57.259 58.000 -0.346 0.000 1.104 1171 F CB 1.204 40.087 39.000 -0.195 0.000 1.122 1171 F HN 0.563 nan 8.300 nan 0.000 0.483 1172 N N 5.501 123.893 118.700 -0.513 0.000 2.816 1172 N HA 0.510 5.255 4.740 0.008 0.000 0.236 1172 N C 0.065 175.357 175.510 -0.363 0.000 1.076 1172 N CA 0.017 52.680 53.050 -0.644 0.000 0.902 1172 N CB 0.059 37.619 38.487 -1.545 0.000 1.149 1172 N HN 0.739 nan 8.380 nan 0.000 0.506 1173 L N 0.698 121.812 121.223 -0.183 0.000 6.079 1173 L HA -0.434 3.911 4.340 0.008 0.000 0.053 1173 L C 0.871 177.694 176.870 -0.078 0.000 2.692 1173 L CA 1.361 56.133 54.840 -0.114 0.000 1.472 1173 L CB -1.090 40.901 42.059 -0.114 0.000 2.948 1173 L HN 0.485 nan 8.230 nan 0.000 1.052 1174 N N 0.460 119.126 118.700 -0.058 0.000 2.322 1174 N HA 0.092 4.837 4.740 0.008 0.000 0.194 1174 N C -0.175 175.352 175.510 0.030 0.000 1.126 1174 N CA 0.389 53.422 53.050 -0.027 0.000 0.845 1174 N CB 0.323 38.797 38.487 -0.022 0.000 0.976 1174 N HN 0.326 nan 8.380 nan 0.000 0.475 1175 Q N -0.162 119.657 119.800 0.032 0.000 2.348 1175 Q HA 0.265 4.610 4.340 0.008 0.000 0.271 1175 Q C -1.118 174.948 176.000 0.109 0.000 1.067 1175 Q CA -0.760 55.106 55.803 0.106 0.000 0.839 1175 Q CB 2.065 30.923 28.738 0.200 0.000 1.354 1175 Q HN 0.196 nan 8.270 nan 0.000 0.447 1176 E N 1.465 121.745 120.200 0.133 0.000 2.092 1176 E HA 0.191 4.546 4.350 0.008 0.000 0.271 1176 E C -1.284 175.321 176.600 0.008 0.000 0.919 1176 E CA -0.462 55.890 56.400 -0.081 0.000 0.760 1176 E CB 0.687 30.335 29.700 -0.086 0.000 1.106 1176 E HN 0.355 nan 8.360 nan 0.000 0.408 1177 W N 2.748 123.658 121.300 -0.650 0.000 2.353 1177 W HA 0.499 5.164 4.660 0.008 0.000 0.377 1177 W C 0.384 176.681 176.519 -0.369 0.000 1.375 1177 W CA -0.799 56.197 57.345 -0.581 0.000 1.503 1177 W CB 0.724 29.609 29.460 -0.957 0.000 1.345 1177 W HN 0.464 nan 8.180 nan 0.000 0.683 1178 R N -0.072 120.450 120.500 0.037 0.000 2.837 1178 R HA 0.684 5.029 4.340 0.008 0.000 0.271 1178 R C -1.809 174.452 176.300 -0.064 0.000 0.993 1178 R CA -0.681 55.363 56.100 -0.094 0.000 0.931 1178 R CB 1.796 31.803 30.300 -0.489 0.000 1.206 1178 R HN 0.232 nan 8.270 nan 0.000 0.474 1179 V N 3.873 123.767 119.914 -0.033 0.000 2.383 1179 V HA 0.402 4.527 4.120 0.008 0.000 0.275 1179 V C -0.973 175.133 176.094 0.019 0.000 1.036 1179 V CA -0.202 62.175 62.300 0.129 0.000 0.889 1179 V CB 0.728 32.732 31.823 0.301 0.000 0.985 1179 V HN 0.606 nan 8.190 nan 0.000 0.459 1180 Y N 1.743 122.237 120.300 0.323 0.000 2.659 1180 Y HA 0.701 5.257 4.550 0.009 0.000 0.333 1180 Y C 0.495 176.505 175.900 0.183 0.000 1.064 1180 Y CA -1.029 57.271 58.100 0.333 0.000 1.141 1180 Y CB 2.191 40.819 38.460 0.280 0.000 1.316 1180 Y HN 0.420 nan 8.280 nan 0.000 0.509 1181 T N 0.956 115.684 114.554 0.290 0.000 2.949 1181 T HA 0.143 4.498 4.350 0.008 0.000 0.300 1181 T C -1.564 173.245 174.700 0.183 0.000 0.988 1181 T CA -0.631 61.468 62.100 -0.003 0.000 0.993 1181 T CB 0.018 68.512 68.868 -0.623 0.000 0.984 1181 T HN 0.409 nan 8.240 nan 0.000 0.442 1182 Y N 3.916 124.239 120.300 0.037 0.000 2.729 1182 Y HA 0.059 4.614 4.550 0.008 0.000 0.331 1182 Y C 1.436 177.128 175.900 -0.346 0.000 1.208 1182 Y CA -0.189 57.669 58.100 -0.402 0.000 1.521 1182 Y CB 0.492 38.765 38.460 -0.312 0.000 1.233 1182 Y HN 0.604 nan 8.280 nan 0.000 0.539 1183 K N 4.230 123.906 120.400 -1.207 0.000 2.097 1183 K HA -0.183 4.142 4.320 0.008 0.000 0.206 1183 K C -0.146 175.789 176.600 -1.109 0.000 1.049 1183 K CA 1.517 57.004 56.287 -1.334 0.000 0.933 1183 K CB -0.152 31.191 32.500 -1.929 0.000 0.717 1183 K HN 0.634 nan 8.250 nan 0.000 0.442 1184 Y N 1.020 120.690 120.300 -1.050 0.000 2.928 1184 Y HA 0.172 4.727 4.550 0.009 0.000 0.390 1184 Y C -0.248 175.584 175.900 -0.114 0.000 1.101 1184 Y CA -1.500 56.260 58.100 -0.567 0.000 1.777 1184 Y CB -0.890 37.251 38.460 -0.533 0.000 1.720 1184 Y HN -0.059 nan 8.280 nan 0.000 0.484 1185 F N -1.440 118.479 119.950 -0.052 0.000 2.422 1185 F HA 0.630 5.162 4.527 0.008 0.000 0.333 1185 F C 0.485 176.323 175.800 0.064 0.000 1.095 1185 F CA -1.729 56.331 58.000 0.099 0.000 1.038 1185 F CB 1.266 40.343 39.000 0.127 0.000 1.156 1185 F HN -0.126 nan 8.300 nan 0.000 0.483 1186 K N 1.628 122.047 120.400 0.032 0.000 2.354 1186 K HA 0.168 4.493 4.320 0.008 0.000 0.194 1186 K C 0.303 176.895 176.600 -0.013 0.000 1.045 1186 K CA -0.084 56.157 56.287 -0.077 0.000 1.026 1186 K CB 0.301 32.797 32.500 -0.007 0.000 0.866 1186 K HN 0.602 nan 8.250 nan 0.000 0.530 1187 K N 1.168 121.655 120.400 0.146 0.000 2.132 1187 K HA -0.036 4.289 4.320 0.008 0.000 0.240 1187 K C 1.015 177.728 176.600 0.187 0.000 1.036 1187 K CA 0.012 56.394 56.287 0.159 0.000 0.888 1187 K CB 0.483 33.097 32.500 0.190 0.000 1.071 1187 K HN -0.128 nan 8.250 nan 0.000 0.502 1188 E N 0.961 121.234 120.200 0.123 0.000 2.150 1188 E HA -0.140 4.215 4.350 0.008 0.000 0.193 1188 E C -0.035 176.686 176.600 0.203 0.000 0.985 1188 E CA 1.249 57.722 56.400 0.122 0.000 0.814 1188 E CB 0.332 30.057 29.700 0.043 0.000 0.752 1188 E HN 0.490 nan 8.360 nan 0.000 0.466 1189 E N -0.216 120.055 120.200 0.119 0.000 2.446 1189 E HA 0.354 4.709 4.350 0.008 0.000 0.276 1189 E C -0.772 175.823 176.600 -0.009 0.000 0.969 1189 E CA -0.852 55.564 56.400 0.027 0.000 0.800 1189 E CB 1.309 30.855 29.700 -0.255 0.000 1.341 1189 E HN 0.196 nan 8.360 nan 0.000 0.460 1190 E N 0.033 120.160 120.200 -0.121 0.000 2.401 1190 E HA 0.414 4.769 4.350 0.008 0.000 0.280 1190 E C -1.311 175.279 176.600 -0.017 0.000 1.039 1190 E CA -1.002 55.344 56.400 -0.089 0.000 0.814 1190 E CB 1.377 30.837 29.700 -0.400 0.000 1.275 1190 E HN 0.305 nan 8.360 nan 0.000 0.448 1191 K N 1.744 122.156 120.400 0.021 0.000 2.350 1191 K HA 0.240 4.565 4.320 0.008 0.000 0.279 1191 K C -0.012 176.610 176.600 0.037 0.000 1.027 1191 K CA -0.270 56.033 56.287 0.028 0.000 0.969 1191 K CB 0.510 32.935 32.500 -0.126 0.000 0.954 1191 K HN 0.330 nan 8.250 nan 0.000 0.474 1192 L N 2.737 123.991 121.223 0.052 0.000 2.467 1192 L HA 0.147 4.492 4.340 0.008 0.000 0.270 1192 L C 0.112 177.122 176.870 0.234 0.000 1.205 1192 L CA -0.269 54.608 54.840 0.061 0.000 0.828 1192 L CB 0.082 42.066 42.059 -0.126 0.000 1.101 1192 L HN 0.493 nan 8.230 nan 0.000 0.479 1193 F N 3.374 123.411 119.950 0.144 0.000 2.385 1193 F HA 0.440 4.972 4.527 0.008 0.000 0.360 1193 F C -0.569 175.379 175.800 0.247 0.000 1.122 1193 F CA -0.609 57.485 58.000 0.156 0.000 1.090 1193 F CB 0.550 39.599 39.000 0.082 0.000 1.150 1193 F HN 0.112 nan 8.300 nan 0.000 0.472 1194 L N 7.036 128.137 121.223 -0.203 0.000 2.287 1194 L HA 0.863 5.208 4.340 0.008 0.000 0.287 1194 L C -0.223 176.509 176.870 -0.229 0.000 1.022 1194 L CA -0.621 54.261 54.840 0.070 0.000 0.814 1194 L CB 0.858 43.118 42.059 0.334 0.000 1.217 1194 L HN 0.815 nan 8.230 nan 0.000 0.420 1195 A N 4.857 127.568 122.820 -0.182 0.000 2.564 1195 A HA 0.803 5.129 4.320 0.008 0.000 0.291 1195 A C -2.942 174.093 177.584 -0.915 0.000 1.102 1195 A CA -1.214 50.316 52.037 -0.845 0.000 0.660 1195 A CB 1.379 19.846 19.000 -0.889 0.000 1.283 1195 A HN 0.406 nan 8.150 nan 0.000 0.430 1196 P HA 0.241 nan 4.420 nan 0.000 0.269 1196 P C -0.495 176.625 177.300 -0.300 0.000 1.217 1196 P CA 0.148 62.659 63.100 -0.982 0.000 0.783 1196 P CB 0.199 31.469 31.700 -0.717 0.000 0.898 1197 I N 1.296 121.770 120.570 -0.159 0.000 2.618 1197 I HA 0.150 4.325 4.170 0.008 0.000 0.284 1197 I C 0.708 176.812 176.117 -0.022 0.000 1.146 1197 I CA 1.186 62.470 61.300 -0.027 0.000 1.425 1197 I CB -0.184 37.779 38.000 -0.063 0.000 1.383 1197 I HN 0.455 nan 8.210 nan 0.000 0.562 1198 S N 4.041 119.767 115.700 0.044 0.000 2.633 1198 S HA 0.261 4.736 4.470 0.008 0.000 0.271 1198 S C -1.542 173.063 174.600 0.008 0.000 1.112 1198 S CA -1.163 57.027 58.200 -0.017 0.000 0.828 1198 S CB 2.046 65.197 63.200 -0.082 0.000 1.086 1198 S HN 0.633 nan 8.310 nan 0.000 0.461 1199 D N 0.749 121.151 120.400 0.004 0.000 2.344 1199 D HA 0.606 5.251 4.640 0.008 0.000 0.239 1199 D C -1.138 175.175 176.300 0.022 0.000 1.064 1199 D CA 0.020 54.042 54.000 0.036 0.000 0.829 1199 D CB 2.005 42.835 40.800 0.051 0.000 1.129 1199 D HN 0.575 nan 8.370 nan 0.000 0.506 1200 S N 2.821 118.544 115.700 0.038 0.000 2.538 1200 S HA 0.278 4.753 4.470 0.008 0.000 0.288 1200 S C 0.172 174.802 174.600 0.050 0.000 1.108 1200 S CA -0.622 57.611 58.200 0.055 0.000 0.971 1200 S CB 1.452 64.722 63.200 0.116 0.000 1.041 1200 S HN 0.297 nan 8.310 nan 0.000 0.483 1201 D N 2.491 122.903 120.400 0.020 0.000 2.310 1201 D HA -0.022 4.623 4.640 0.008 0.000 0.212 1201 D C 1.223 177.456 176.300 -0.111 0.000 0.965 1201 D CA 0.994 54.986 54.000 -0.014 0.000 0.879 1201 D CB 0.187 40.994 40.800 0.012 0.000 0.921 1201 D HN 0.719 nan 8.370 nan 0.000 0.510 1202 E N -0.925 119.194 120.200 -0.134 0.000 2.435 1202 E HA 0.054 4.409 4.350 0.008 0.000 0.195 1202 E C -0.276 175.819 176.600 -0.843 0.000 1.029 1202 E CA 0.264 56.423 56.400 -0.402 0.000 0.865 1202 E CB 0.291 29.798 29.700 -0.322 0.000 0.833 1202 E HN 0.247 nan 8.360 nan 0.000 0.510 1203 F N -0.301 119.474 119.950 -0.292 0.000 2.540 1203 F HA 0.312 4.844 4.527 0.008 0.000 0.317 1203 F C -0.395 175.334 175.800 -0.119 0.000 1.104 1203 F CA -1.269 56.580 58.000 -0.252 0.000 0.913 1203 F CB 1.004 39.883 39.000 -0.202 0.000 1.170 1203 F HN -0.186 nan 8.300 nan 0.000 0.450 1204 Y N 1.705 122.151 120.300 0.243 0.000 2.319 1204 Y HA 0.190 4.745 4.550 0.009 0.000 0.328 1204 Y C 0.959 177.203 175.900 0.574 0.000 1.133 1204 Y CA -0.678 57.609 58.100 0.313 0.000 1.265 1204 Y CB 0.743 39.348 38.460 0.243 0.000 1.218 1204 Y HN 0.596 nan 8.280 nan 0.000 0.508 1205 N N -2.088 117.068 118.700 0.759 0.000 2.145 1205 N HA 0.082 4.827 4.740 0.008 0.000 0.219 1205 N C -0.612 175.273 175.510 0.624 0.000 1.266 1205 N CA -0.128 53.350 53.050 0.713 0.000 0.902 1205 N CB 0.344 39.197 38.487 0.609 0.000 1.078 1205 N HN 0.307 nan 8.380 nan 0.000 0.513 1206 T N 1.497 116.375 114.554 0.539 0.000 2.767 1206 T HA 0.517 4.872 4.350 0.008 0.000 0.284 1206 T C -0.159 174.560 174.700 0.033 0.000 0.973 1206 T CA -0.358 61.919 62.100 0.293 0.000 0.996 1206 T CB 1.237 70.237 68.868 0.220 0.000 0.927 1206 T HN 0.076 nan 8.240 nan 0.000 0.456 1207 I N 2.478 122.976 120.570 -0.121 0.000 2.603 1207 I HA 0.414 4.589 4.170 0.008 0.000 0.300 1207 I C 0.045 176.077 176.117 -0.142 0.000 1.017 1207 I CA -0.930 60.168 61.300 -0.336 0.000 1.098 1207 I CB 2.186 39.920 38.000 -0.444 0.000 1.279 1207 I HN 0.450 nan 8.210 nan 0.000 0.437 1208 Q N 5.622 125.312 119.800 -0.182 0.000 2.333 1208 Q HA 0.491 4.836 4.340 0.008 0.000 0.265 1208 Q C -1.115 174.746 176.000 -0.232 0.000 0.989 1208 Q CA -0.692 54.927 55.803 -0.306 0.000 0.842 1208 Q CB 2.152 30.656 28.738 -0.390 0.000 1.262 1208 Q HN 0.652 nan 8.270 nan 0.000 0.451 1209 I N 4.413 124.846 120.570 -0.228 0.000 2.416 1209 I HA 0.217 4.392 4.170 0.008 0.000 0.288 1209 I C -0.802 175.192 176.117 -0.204 0.000 1.051 1209 I CA -0.083 61.119 61.300 -0.163 0.000 1.375 1209 I CB 0.174 38.085 38.000 -0.148 0.000 1.407 1209 I HN 0.556 nan 8.210 nan 0.000 0.516 1210 K N 5.616 125.896 120.400 -0.200 0.000 2.352 1210 K HA 0.497 4.822 4.320 0.008 0.000 0.240 1210 K C -1.169 175.233 176.600 -0.330 0.000 1.017 1210 K CA -0.854 55.219 56.287 -0.357 0.000 0.851 1210 K CB 1.667 33.789 32.500 -0.630 0.000 1.261 1210 K HN 0.373 nan 8.250 nan 0.000 0.451 1211 E N 0.775 120.711 120.200 -0.439 0.000 2.621 1211 E HA 0.218 4.573 4.350 0.008 0.000 0.263 1211 E C -0.894 175.476 176.600 -0.383 0.000 1.033 1211 E CA -0.112 56.094 56.400 -0.324 0.000 0.778 1211 E CB 0.105 29.669 29.700 -0.225 0.000 1.426 1211 E HN 0.482 nan 8.360 nan 0.000 0.394 1212 Y N 0.734 120.895 120.300 -0.232 0.000 2.475 1212 Y HA 0.157 4.712 4.550 0.009 0.000 0.289 1212 Y C 0.869 176.493 175.900 -0.462 0.000 1.121 1212 Y CA 0.210 58.167 58.100 -0.238 0.000 1.257 1212 Y CB 0.371 38.793 38.460 -0.064 0.000 1.026 1212 Y HN 0.392 nan 8.280 nan 0.000 0.555 1213 D N 1.016 121.012 120.400 -0.674 0.000 2.351 1213 D HA -0.001 4.644 4.640 0.008 0.000 0.251 1213 D C 0.501 176.658 176.300 -0.237 0.000 1.137 1213 D CA 0.296 53.893 54.000 -0.671 0.000 0.879 1213 D CB 0.938 41.333 40.800 -0.676 0.000 1.181 1213 D HN 0.383 nan 8.370 nan 0.000 0.448 1214 E N 1.643 121.781 120.200 -0.102 0.000 2.447 1214 E HA -0.014 4.341 4.350 0.008 0.000 0.195 1214 E C 0.223 176.805 176.600 -0.031 0.000 1.028 1214 E CA 0.035 56.408 56.400 -0.045 0.000 0.876 1214 E CB 0.473 30.169 29.700 -0.007 0.000 0.885 1214 E HN 0.458 nan 8.360 nan 0.000 0.500 1215 Q N 0.784 120.570 119.800 -0.024 0.000 2.193 1215 Q HA 0.315 4.660 4.340 0.008 0.000 0.246 1215 Q C -2.400 173.580 176.000 -0.033 0.000 0.959 1215 Q CA -2.521 53.280 55.803 -0.002 0.000 0.904 1215 Q CB 0.217 28.985 28.738 0.050 0.000 1.238 1215 Q HN -0.089 nan 8.270 nan 0.000 0.469 1216 P HA 0.042 nan 4.420 nan 0.000 0.262 1216 P C -0.529 176.731 177.300 -0.066 0.000 1.182 1216 P CA 0.609 63.646 63.100 -0.104 0.000 0.761 1216 P CB 0.535 32.066 31.700 -0.282 0.000 0.795 1217 T N 2.222 116.722 114.554 -0.091 0.000 2.827 1217 T HA 0.351 4.707 4.350 0.008 0.000 0.328 1217 T C -0.756 173.949 174.700 0.008 0.000 1.598 1217 T CA -0.312 61.719 62.100 -0.113 0.000 1.043 1217 T CB 0.387 69.232 68.868 -0.038 0.000 1.447 1217 T HN 0.046 nan 8.240 nan 0.000 0.491 1218 Y N 0.892 121.193 120.300 0.001 0.000 2.458 1218 Y HA 0.477 5.032 4.550 0.008 0.000 0.256 1218 Y C 1.513 177.424 175.900 0.018 0.000 1.159 1218 Y CA -0.710 57.383 58.100 -0.010 0.000 1.261 1218 Y CB 0.055 38.479 38.460 -0.060 0.000 1.119 1218 Y HN 0.358 nan 8.280 nan 0.000 0.524 1219 S N 0.492 116.288 115.700 0.159 0.000 2.601 1219 S HA 0.508 4.983 4.470 0.008 0.000 0.271 1219 S C 0.156 174.821 174.600 0.107 0.000 1.305 1219 S CA -0.465 57.821 58.200 0.143 0.000 1.022 1219 S CB 0.971 64.246 63.200 0.125 0.000 0.940 1219 S HN 0.427 nan 8.310 nan 0.000 0.525 1220 C N 1.688 121.071 119.300 0.139 0.000 3.236 1220 C HA 0.872 5.337 4.460 0.008 0.000 0.312 1220 C C -1.491 173.604 174.990 0.176 0.000 1.374 1220 C CA -0.985 58.098 59.018 0.108 0.000 1.455 1220 C CB 0.690 28.503 27.740 0.121 0.000 1.834 1220 C HN 0.708 nan 8.230 nan 0.000 0.460 1221 Q N 0.384 120.269 119.800 0.142 0.000 2.399 1221 Q HA 0.837 5.182 4.340 0.008 0.000 0.276 1221 Q C -1.288 174.809 176.000 0.163 0.000 1.098 1221 Q CA -0.397 55.546 55.803 0.234 0.000 0.827 1221 Q CB 1.842 30.787 28.738 0.346 0.000 1.386 1221 Q HN 0.740 nan 8.270 nan 0.000 0.443 1222 L N 1.965 123.304 121.223 0.194 0.000 2.342 1222 L HA 0.561 4.906 4.340 0.008 0.000 0.276 1222 L C -1.245 175.673 176.870 0.080 0.000 0.997 1222 L CA -0.891 53.989 54.840 0.066 0.000 0.838 1222 L CB 1.132 43.194 42.059 0.004 0.000 1.224 1222 L HN 0.385 nan 8.230 nan 0.000 0.416 1223 L N 2.996 124.229 121.223 0.017 0.000 2.317 1223 L HA 0.607 4.952 4.340 0.008 0.000 0.281 1223 L C -1.232 175.622 176.870 -0.027 0.000 1.024 1223 L CA 0.173 55.063 54.840 0.084 0.000 0.810 1223 L CB 1.324 43.460 42.059 0.128 0.000 1.240 1223 L HN 0.233 nan 8.230 nan 0.000 0.427 1224 F N 4.496 124.509 119.950 0.105 0.000 2.411 1224 F HA 0.521 5.054 4.527 0.009 0.000 0.352 1224 F C 0.255 176.043 175.800 -0.021 0.000 1.123 1224 F CA -0.323 57.713 58.000 0.060 0.000 1.044 1224 F CB 1.247 40.295 39.000 0.080 0.000 1.135 1224 F HN 0.361 nan 8.300 nan 0.000 0.461 1225 K N 2.966 123.432 120.400 0.110 0.000 2.267 1225 K HA 0.266 4.591 4.320 0.008 0.000 0.246 1225 K C 0.771 177.260 176.600 -0.184 0.000 0.954 1225 K CA -1.006 55.284 56.287 0.005 0.000 0.824 1225 K CB 2.480 35.034 32.500 0.090 0.000 1.167 1225 K HN 0.515 nan 8.250 nan 0.000 0.431 1226 K N 1.180 121.439 120.400 -0.236 0.000 2.089 1226 K HA -0.206 4.119 4.320 0.008 0.000 0.210 1226 K C 0.059 176.620 176.600 -0.065 0.000 1.048 1226 K CA 2.162 58.293 56.287 -0.259 0.000 0.926 1226 K CB 0.120 32.592 32.500 -0.047 0.000 0.714 1226 K HN 0.811 nan 8.250 nan 0.000 0.448 1227 D N -3.390 116.995 120.400 -0.025 0.000 2.694 1227 D HA -0.004 4.641 4.640 0.008 0.000 0.260 1227 D C -0.207 176.054 176.300 -0.065 0.000 1.250 1227 D CA -0.443 53.546 54.000 -0.018 0.000 0.763 1227 D CB 0.589 41.393 40.800 0.006 0.000 1.311 1227 D HN -0.151 nan 8.370 nan 0.000 0.420 1228 E N 0.598 120.659 120.200 -0.232 0.000 2.114 1228 E HA -0.215 4.140 4.350 0.008 0.000 0.199 1228 E C 1.433 177.982 176.600 -0.085 0.000 1.008 1228 E CA 2.205 58.368 56.400 -0.394 0.000 0.810 1228 E CB 0.033 29.242 29.700 -0.818 0.000 0.739 1228 E HN 0.524 nan 8.360 nan 0.000 0.456 1229 E N 0.533 120.694 120.200 -0.065 0.000 2.076 1229 E HA -0.032 4.323 4.350 0.008 0.000 0.190 1229 E C 0.969 177.579 176.600 0.016 0.000 0.979 1229 E CA 0.663 57.057 56.400 -0.010 0.000 0.807 1229 E CB -0.058 29.633 29.700 -0.015 0.000 0.761 1229 E HN 0.184 nan 8.360 nan 0.000 0.454 1230 S N 0.626 116.334 115.700 0.014 0.000 2.587 1230 S HA 0.004 4.480 4.470 0.008 0.000 0.260 1230 S C 0.939 175.561 174.600 0.036 0.000 1.353 1230 S CA 0.253 58.466 58.200 0.023 0.000 0.995 1230 S CB 0.942 64.153 63.200 0.019 0.000 0.912 1230 S HN 0.232 nan 8.310 nan 0.000 0.568 1231 T N -2.765 111.809 114.554 0.033 0.000 3.228 1231 T HA 0.252 4.607 4.350 0.008 0.000 0.278 1231 T C -0.290 174.431 174.700 0.035 0.000 1.014 1231 T CA -0.511 61.613 62.100 0.040 0.000 0.904 1231 T CB -0.293 68.596 68.868 0.035 0.000 1.110 1231 T HN 0.612 nan 8.240 nan 0.000 0.541 1232 D N 2.615 123.031 120.400 0.026 0.000 2.380 1232 D HA 0.151 4.796 4.640 0.008 0.000 0.230 1232 D C -0.400 175.908 176.300 0.014 0.000 1.154 1232 D CA -0.082 53.928 54.000 0.016 0.000 0.859 1232 D CB 0.854 41.658 40.800 0.007 0.000 1.045 1232 D HN 0.500 nan 8.370 nan 0.000 0.495 1233 E N 4.216 124.438 120.200 0.036 0.000 2.167 1233 E HA 0.111 4.466 4.350 0.008 0.000 0.284 1233 E C 1.132 177.774 176.600 0.070 0.000 1.016 1233 E CA -0.695 55.744 56.400 0.064 0.000 0.817 1233 E CB 1.768 31.522 29.700 0.090 0.000 1.080 1233 E HN 0.440 nan 8.360 nan 0.000 0.397 1234 I N 1.619 122.241 120.570 0.086 0.000 2.333 1234 I HA 0.093 4.268 4.170 0.008 0.000 0.246 1234 I C 1.183 177.455 176.117 0.258 0.000 1.106 1234 I CA 1.004 62.390 61.300 0.144 0.000 1.411 1234 I CB -1.173 36.906 38.000 0.133 0.000 1.082 1234 I HN 0.675 nan 8.210 nan 0.000 0.420 1235 G N 0.452 109.422 108.800 0.283 0.000 2.337 1235 G HA2 0.332 4.297 3.960 0.008 0.000 0.298 1235 G HA3 0.332 4.297 3.960 0.008 0.000 0.298 1235 G C -1.567 173.554 174.900 0.369 0.000 1.335 1235 G CA -0.867 44.425 45.100 0.319 0.000 0.875 1235 G HN 0.003 nan 8.290 nan 0.000 0.579 1236 L N 0.351 121.817 121.223 0.404 0.000 2.331 1236 L HA 0.581 4.926 4.340 0.008 0.000 0.275 1236 L C 0.458 177.574 176.870 0.409 0.000 1.022 1236 L CA -1.038 54.028 54.840 0.377 0.000 0.812 1236 L CB 1.877 44.111 42.059 0.292 0.000 1.257 1236 L HN 0.427 nan 8.230 nan 0.000 0.435 1237 I N 1.564 122.343 120.570 0.349 0.000 2.556 1237 I HA 0.313 4.488 4.170 0.008 0.000 0.284 1237 I C 0.777 177.209 176.117 0.524 0.000 1.114 1237 I CA 0.458 61.969 61.300 0.351 0.000 1.418 1237 I CB 0.799 38.903 38.000 0.174 0.000 1.394 1237 I HN 0.778 nan 8.210 nan 0.000 0.552 1238 G N 6.638 115.774 108.800 0.559 0.000 2.772 1238 G HA2 0.662 4.628 3.960 0.008 0.000 0.284 1238 G HA3 0.662 4.628 3.960 0.008 0.000 0.284 1238 G C -1.262 174.015 174.900 0.628 0.000 1.217 1238 G CA -0.568 44.845 45.100 0.522 0.000 0.831 1238 G HN 0.403 nan 8.290 nan 0.000 0.523 1239 I N 0.240 121.094 120.570 0.472 0.000 2.545 1239 I HA 0.474 4.649 4.170 0.008 0.000 0.292 1239 I C -1.021 175.337 176.117 0.403 0.000 1.040 1239 I CA -0.696 60.858 61.300 0.424 0.000 1.068 1239 I CB 2.448 40.585 38.000 0.228 0.000 1.251 1239 I HN 0.612 nan 8.210 nan 0.000 0.424 1240 H N 4.987 124.247 119.070 0.317 0.000 2.768 1240 H HA 0.507 5.068 4.556 0.008 0.000 0.371 1240 H C -1.036 174.413 175.328 0.201 0.000 1.151 1240 H CA -0.727 55.417 56.048 0.160 0.000 1.165 1240 H CB 2.012 31.815 29.762 0.069 0.000 1.722 1240 H HN 0.441 nan 8.280 nan 0.000 0.543 1241 R N 3.855 123.986 120.500 -0.615 0.000 2.312 1241 R HA 0.338 4.683 4.340 0.008 0.000 0.311 1241 R C -1.368 174.781 176.300 -0.252 0.000 1.004 1241 R CA -0.374 55.587 56.100 -0.232 0.000 0.902 1241 R CB 0.315 30.453 30.300 -0.269 0.000 1.073 1241 R HN 0.392 nan 8.270 nan 0.000 0.457 1242 F N 2.737 122.825 119.950 0.231 0.000 2.561 1242 F HA 0.313 4.845 4.527 0.008 0.000 0.321 1242 F C -0.506 175.506 175.800 0.354 0.000 1.065 1242 F CA -0.871 57.302 58.000 0.288 0.000 0.934 1242 F CB 1.172 40.315 39.000 0.239 0.000 1.215 1242 F HN 0.395 nan 8.300 nan 0.000 0.471 1243 Y N 1.817 122.309 120.300 0.321 0.000 2.330 1243 Y HA 0.501 5.056 4.550 0.008 0.000 0.336 1243 Y C -0.814 175.106 175.900 0.033 0.000 1.036 1243 Y CA -0.872 57.239 58.100 0.020 0.000 1.125 1243 Y CB 0.937 39.360 38.460 -0.061 0.000 1.194 1243 Y HN 0.595 nan 8.280 nan 0.000 0.469 1244 E N 3.630 123.412 120.200 -0.696 0.000 2.218 1244 E HA 0.331 4.686 4.350 0.008 0.000 0.263 1244 E C -1.392 174.795 176.600 -0.689 0.000 0.879 1244 E CA -0.804 55.307 56.400 -0.481 0.000 0.762 1244 E CB 1.915 31.515 29.700 -0.167 0.000 1.166 1244 E HN 0.440 nan 8.360 nan 0.000 0.415 1245 S N 2.212 117.636 115.700 -0.459 0.000 2.733 1245 S HA 0.596 5.072 4.470 0.008 0.000 0.307 1245 S C -0.265 174.274 174.600 -0.101 0.000 1.127 1245 S CA -0.487 57.542 58.200 -0.285 0.000 1.097 1245 S CB 0.663 63.761 63.200 -0.170 0.000 1.003 1245 S HN 0.632 nan 8.310 nan 0.000 0.477 1246 G N 2.421 111.193 108.800 -0.047 0.000 2.705 1246 G HA2 0.497 4.462 3.960 0.008 0.000 0.299 1246 G HA3 0.497 4.462 3.960 0.008 0.000 0.299 1246 G C 0.845 175.739 174.900 -0.010 0.000 1.315 1246 G CA -0.759 44.341 45.100 0.000 0.000 1.045 1246 G HN 0.697 nan 8.290 nan 0.000 0.517 1247 I N -0.970 119.596 120.570 -0.007 0.000 2.567 1247 I HA -0.024 4.151 4.170 0.008 0.000 0.257 1247 I C 1.900 177.969 176.117 -0.079 0.000 1.184 1247 I CA 1.590 62.872 61.300 -0.031 0.000 1.451 1247 I CB -0.879 37.109 38.000 -0.020 0.000 1.089 1247 I HN 0.303 nan 8.210 nan 0.000 0.441 1248 V N -4.103 115.737 119.914 -0.123 0.000 3.250 1248 V HA 0.433 4.558 4.120 0.008 0.000 0.240 1248 V C 0.506 176.319 176.094 -0.469 0.000 1.275 1248 V CA -0.282 61.823 62.300 -0.325 0.000 1.206 1248 V CB -0.698 30.839 31.823 -0.476 0.000 0.976 1248 V HN 0.100 nan 8.190 nan 0.000 0.467 1249 F N 1.593 121.522 119.950 -0.035 0.000 2.443 1249 F HA 0.753 5.286 4.527 0.009 0.000 0.335 1249 F C 0.216 175.962 175.800 -0.090 0.000 1.104 1249 F CA -0.455 57.516 58.000 -0.048 0.000 1.013 1249 F CB 1.620 40.595 39.000 -0.042 0.000 1.136 1249 F HN 0.049 nan 8.300 nan 0.000 0.470 1250 E N 4.481 124.739 120.200 0.097 0.000 2.244 1250 E HA 0.358 4.713 4.350 0.008 0.000 0.260 1250 E C -1.346 175.221 176.600 -0.054 0.000 0.884 1250 E CA -0.309 56.055 56.400 -0.060 0.000 0.777 1250 E CB 1.694 31.384 29.700 -0.017 0.000 1.197 1250 E HN 0.921 nan 8.360 nan 0.000 0.416 1251 E N 2.859 122.927 120.200 -0.220 0.000 2.421 1251 E HA 0.182 4.537 4.350 0.008 0.000 0.276 1251 E C -1.540 174.925 176.600 -0.226 0.000 1.154 1251 E CA -0.764 55.566 56.400 -0.117 0.000 0.883 1251 E CB 0.510 30.224 29.700 0.025 0.000 1.429 1251 E HN 0.261 nan 8.360 nan 0.000 0.436 1252 Y N 0.467 120.836 120.300 0.115 0.000 2.342 1252 Y HA 0.548 5.103 4.550 0.009 0.000 0.334 1252 Y C 0.102 176.067 175.900 0.108 0.000 1.067 1252 Y CA -0.429 57.763 58.100 0.154 0.000 1.128 1252 Y CB 1.960 40.511 38.460 0.153 0.000 1.200 1252 Y HN 0.221 nan 8.280 nan 0.000 0.464 1253 K N 2.162 122.758 120.400 0.327 0.000 2.468 1253 K HA 0.328 4.653 4.320 0.008 0.000 0.252 1253 K C -1.806 174.976 176.600 0.304 0.000 0.932 1253 K CA -1.002 55.409 56.287 0.207 0.000 0.794 1253 K CB 2.089 34.679 32.500 0.150 0.000 1.241 1253 K HN 0.572 nan 8.250 nan 0.000 0.428 1254 D N 1.112 121.564 120.400 0.087 0.000 2.210 1254 D HA 0.360 5.005 4.640 0.008 0.000 0.249 1254 D C -0.934 175.369 176.300 0.005 0.000 1.062 1254 D CA 0.232 54.340 54.000 0.181 0.000 0.891 1254 D CB 0.682 41.528 40.800 0.077 0.000 1.186 1254 D HN 0.211 nan 8.370 nan 0.000 0.432 1255 Y N 0.121 120.619 120.300 0.330 0.000 2.605 1255 Y HA 0.369 4.924 4.550 0.008 0.000 0.343 1255 Y C -0.412 175.737 175.900 0.416 0.000 1.036 1255 Y CA -1.296 56.977 58.100 0.288 0.000 1.065 1255 Y CB 1.025 39.579 38.460 0.157 0.000 1.288 1255 Y HN 0.218 nan 8.280 nan 0.000 0.481 1256 F N 2.815 122.975 119.950 0.350 0.000 2.502 1256 F HA 0.434 4.966 4.527 0.008 0.000 0.371 1256 F C -0.352 175.650 175.800 0.335 0.000 1.083 1256 F CA -0.708 57.480 58.000 0.314 0.000 1.174 1256 F CB -0.541 38.580 39.000 0.202 0.000 1.096 1256 F HN 0.463 nan 8.300 nan 0.000 0.545 1257 C N 6.221 125.698 119.300 0.295 0.000 3.307 1257 C HA 0.632 5.097 4.460 0.008 0.000 0.350 1257 C C -0.213 174.850 174.990 0.122 0.000 1.549 1257 C CA -1.218 57.907 59.018 0.179 0.000 1.396 1257 C CB 1.903 29.847 27.740 0.341 0.000 1.970 1257 C HN 0.781 nan 8.230 nan 0.000 0.441 1258 I N 1.451 122.078 120.570 0.095 0.000 2.545 1258 I HA 0.638 4.813 4.170 0.008 0.000 0.292 1258 I C -0.729 175.504 176.117 0.192 0.000 1.040 1258 I CA 0.437 61.833 61.300 0.161 0.000 1.068 1258 I CB 1.573 39.585 38.000 0.020 0.000 1.251 1258 I HN 0.688 nan 8.210 nan 0.000 0.424 1259 S N 5.470 121.377 115.700 0.344 0.000 2.546 1259 S HA 0.409 4.885 4.470 0.008 0.000 0.272 1259 S C 0.198 174.971 174.600 0.288 0.000 1.140 1259 S CA -0.739 57.609 58.200 0.246 0.000 0.920 1259 S CB 1.891 65.118 63.200 0.045 0.000 1.083 1259 S HN 0.784 nan 8.310 nan 0.000 0.476 1260 K N 2.301 122.845 120.400 0.240 0.000 2.296 1260 K HA -0.024 4.302 4.320 0.008 0.000 0.200 1260 K C 1.288 177.973 176.600 0.142 0.000 1.048 1260 K CA 0.784 57.187 56.287 0.194 0.000 0.966 1260 K CB -0.061 32.531 32.500 0.152 0.000 0.754 1260 K HN 0.757 nan 8.250 nan 0.000 0.466 1261 W N 0.989 122.237 121.300 -0.088 0.000 2.350 1261 W HA -0.234 4.431 4.660 0.009 0.000 0.289 1261 W C 1.193 177.641 176.519 -0.118 0.000 1.215 1261 W CA 1.491 58.744 57.345 -0.154 0.000 1.236 1261 W CB -0.194 29.102 29.460 -0.273 0.000 1.130 1261 W HN 0.040 nan 8.180 nan 0.000 0.541 1262 Y N 0.170 120.499 120.300 0.049 0.000 2.293 1262 Y HA -0.184 4.371 4.550 0.009 0.000 0.291 1262 Y C 2.395 178.136 175.900 -0.265 0.000 1.137 1262 Y CA 1.469 59.474 58.100 -0.158 0.000 1.202 1262 Y CB -1.250 37.244 38.460 0.056 0.000 0.990 1262 Y HN -0.072 nan 8.280 nan 0.000 0.537 1263 L N 0.525 121.737 121.223 -0.018 0.000 2.043 1263 L HA -0.314 4.031 4.340 0.008 0.000 0.212 1263 L C 2.447 179.199 176.870 -0.196 0.000 1.075 1263 L CA 2.301 57.084 54.840 -0.095 0.000 0.752 1263 L CB -0.645 41.406 42.059 -0.013 0.000 0.891 1263 L HN 0.311 nan 8.230 nan 0.000 0.432 1264 K N -1.030 119.224 120.400 -0.243 0.000 2.186 1264 K HA -0.078 4.247 4.320 0.008 0.000 0.202 1264 K C 1.748 178.159 176.600 -0.316 0.000 1.052 1264 K CA 0.663 56.800 56.287 -0.250 0.000 0.965 1264 K CB -0.151 32.204 32.500 -0.241 0.000 0.746 1264 K HN 0.107 nan 8.250 nan 0.000 0.457 1265 E N 1.583 121.500 120.200 -0.472 0.000 2.153 1265 E HA -0.124 4.231 4.350 0.008 0.000 0.194 1265 E C 2.225 178.634 176.600 -0.319 0.000 0.988 1265 E CA 1.636 57.750 56.400 -0.476 0.000 0.811 1265 E CB -0.239 29.017 29.700 -0.741 0.000 0.746 1265 E HN 0.430 nan 8.360 nan 0.000 0.466 1266 V N -1.298 118.443 119.914 -0.288 0.000 3.305 1266 V HA -0.033 4.092 4.120 0.008 0.000 0.269 1266 V C 1.764 177.814 176.094 -0.073 0.000 1.157 1266 V CA 1.076 63.264 62.300 -0.187 0.000 1.157 1266 V CB -0.484 31.062 31.823 -0.462 0.000 0.772 1266 V HN 0.026 nan 8.190 nan 0.000 0.498 1267 K N 0.261 120.582 120.400 -0.130 0.000 2.243 1267 K HA 0.157 4.482 4.320 0.008 0.000 0.201 1267 K C 0.958 177.546 176.600 -0.020 0.000 1.051 1267 K CA -0.007 56.250 56.287 -0.049 0.000 0.970 1267 K CB 0.050 32.506 32.500 -0.073 0.000 0.755 1267 K HN 0.475 nan 8.250 nan 0.000 0.465 1268 R N 1.691 122.151 120.500 -0.067 0.000 2.679 1268 R HA 0.062 4.407 4.340 0.008 0.000 0.268 1268 R C -0.138 176.159 176.300 -0.005 0.000 1.044 1268 R CA 0.518 56.585 56.100 -0.055 0.000 1.105 1268 R CB 0.358 30.597 30.300 -0.102 0.000 0.989 1268 R HN -0.147 nan 8.270 nan 0.000 0.447 1269 K N 3.002 123.404 120.400 0.003 0.000 2.378 1269 K HA 0.366 4.692 4.320 0.008 0.000 0.252 1269 K C -2.034 174.573 176.600 0.012 0.000 0.931 1269 K CA -1.735 54.571 56.287 0.031 0.000 0.794 1269 K CB 1.710 34.230 32.500 0.034 0.000 1.181 1269 K HN 0.566 nan 8.250 nan 0.000 0.425 1270 P HA 0.115 nan 4.420 nan 0.000 0.274 1270 P C -0.516 176.820 177.300 0.060 0.000 1.237 1270 P CA -0.419 62.713 63.100 0.053 0.000 0.793 1270 P CB 0.417 32.145 31.700 0.045 0.000 0.977 1271 Y N 1.994 122.297 120.300 0.005 0.000 2.810 1271 Y HA -0.074 4.481 4.550 0.009 0.000 0.332 1271 Y C 0.892 176.792 175.900 0.000 0.000 1.243 1271 Y CA 0.232 58.334 58.100 0.004 0.000 1.537 1271 Y CB -0.018 38.454 38.460 0.021 0.000 1.265 1271 Y HN 0.327 nan 8.280 nan 0.000 0.572 1272 N N 6.716 124.973 118.700 -0.739 0.000 2.448 1272 N HA 0.047 4.792 4.740 0.008 0.000 0.250 1272 N C 0.435 175.656 175.510 -0.482 0.000 1.136 1272 N CA 0.226 52.994 53.050 -0.471 0.000 0.953 1272 N CB 0.034 38.299 38.487 -0.370 0.000 1.251 1272 N HN 0.908 nan 8.380 nan 0.000 0.502 1273 L N 1.981 123.117 121.223 -0.144 0.000 2.353 1273 L HA -0.066 4.279 4.340 0.008 0.000 0.220 1273 L C 1.693 178.542 176.870 -0.034 0.000 1.133 1273 L CA 0.755 55.605 54.840 0.018 0.000 0.798 1273 L CB -0.130 41.973 42.059 0.074 0.000 0.922 1273 L HN 0.290 nan 8.230 nan 0.000 0.445 1274 K N 0.395 120.752 120.400 -0.072 0.000 2.444 1274 K HA 0.200 4.525 4.320 0.008 0.000 0.193 1274 K C 0.598 177.157 176.600 -0.068 0.000 1.024 1274 K CA 0.077 56.328 56.287 -0.060 0.000 1.077 1274 K CB -0.076 32.403 32.500 -0.036 0.000 0.833 1274 K HN 0.285 nan 8.250 nan 0.000 0.517 1275 L N 0.579 121.748 121.223 -0.091 0.000 2.490 1275 L HA 0.002 4.347 4.340 0.008 0.000 0.274 1275 L C 1.694 178.493 176.870 -0.117 0.000 1.201 1275 L CA -0.049 54.774 54.840 -0.028 0.000 0.869 1275 L CB 0.495 42.508 42.059 -0.077 0.000 1.123 1275 L HN 0.190 nan 8.230 nan 0.000 0.484 1276 G N 1.465 110.257 108.800 -0.013 0.000 2.708 1276 G HA2 -0.162 3.803 3.960 0.008 0.000 0.210 1276 G HA3 -0.162 3.803 3.960 0.008 0.000 0.210 1276 G C 1.093 175.657 174.900 -0.559 0.000 1.141 1276 G CA 0.561 45.540 45.100 -0.201 0.000 0.788 1276 G HN 0.896 nan 8.290 nan 0.000 0.531 1277 C N -1.318 117.559 119.300 -0.706 0.000 2.754 1277 C HA 0.386 4.851 4.460 0.008 0.000 0.276 1277 C C 0.520 175.290 174.990 -0.366 0.000 1.264 1277 C CA -1.794 56.812 59.018 -0.688 0.000 1.700 1277 C CB -1.706 25.481 27.740 -0.921 0.000 1.885 1277 C HN 0.225 nan 8.230 nan 0.000 0.607 1278 N N 0.695 119.134 118.700 -0.434 0.000 2.439 1278 N HA 0.454 5.199 4.740 0.008 0.000 0.249 1278 N C -1.142 174.131 175.510 -0.395 0.000 1.003 1278 N CA -0.197 52.727 53.050 -0.209 0.000 0.942 1278 N CB 0.630 39.076 38.487 -0.069 0.000 1.115 1278 N HN 0.566 nan 8.380 nan 0.000 0.505 1279 W N 0.977 122.234 121.300 -0.073 0.000 2.719 1279 W HA 0.489 5.154 4.660 0.008 0.000 0.352 1279 W C -0.076 176.363 176.519 -0.132 0.000 1.085 1279 W CA -0.621 56.618 57.345 -0.175 0.000 1.187 1279 W CB 1.250 30.516 29.460 -0.323 0.000 1.417 1279 W HN 0.134 nan 8.180 nan 0.000 0.557 1280 Q N 0.991 120.870 119.800 0.133 0.000 2.389 1280 Q HA 0.494 4.839 4.340 0.008 0.000 0.277 1280 Q C -1.645 174.246 176.000 -0.181 0.000 1.082 1280 Q CA -1.094 54.778 55.803 0.115 0.000 0.810 1280 Q CB 2.745 31.727 28.738 0.405 0.000 1.374 1280 Q HN 0.309 nan 8.270 nan 0.000 0.422 1281 F N 1.893 121.795 119.950 -0.081 0.000 2.411 1281 F HA 0.483 5.015 4.527 0.009 0.000 0.352 1281 F C -0.039 175.615 175.800 -0.245 0.000 1.123 1281 F CA -0.596 57.232 58.000 -0.287 0.000 1.044 1281 F CB 0.961 39.436 39.000 -0.875 0.000 1.135 1281 F HN 0.268 nan 8.300 nan 0.000 0.461 1282 I N 6.270 126.901 120.570 0.101 0.000 2.330 1282 I HA 0.316 4.491 4.170 0.008 0.000 0.286 1282 I C -2.430 173.996 176.117 0.515 0.000 1.025 1282 I CA -1.970 59.360 61.300 0.051 0.000 1.197 1282 I CB 1.147 38.972 38.000 -0.292 0.000 1.358 1282 I HN 0.270 nan 8.210 nan 0.000 0.467 1283 P HA 0.246 nan 4.420 nan 0.000 0.285 1283 P C -0.917 176.757 177.300 0.624 0.000 1.269 1283 P CA -0.830 62.633 63.100 0.604 0.000 0.844 1283 P CB 1.199 33.219 31.700 0.533 0.000 1.094 1284 K N 1.520 122.094 120.400 0.289 0.000 2.485 1284 K HA 0.115 4.440 4.320 0.008 0.000 0.277 1284 K C 0.193 176.937 176.600 0.240 0.000 0.990 1284 K CA 0.877 57.181 56.287 0.028 0.000 0.994 1284 K CB -0.007 32.383 32.500 -0.183 0.000 0.906 1284 K HN 0.580 nan 8.250 nan 0.000 0.488 1285 D N 1.075 121.649 120.400 0.289 0.000 2.947 1285 D HA 0.003 4.648 4.640 0.008 0.000 0.224 1285 D C 0.636 177.003 176.300 0.112 0.000 1.230 1285 D CA -0.199 53.860 54.000 0.099 0.000 0.871 1285 D CB 1.295 41.927 40.800 -0.280 0.000 1.671 1285 D HN 0.575 nan 8.370 nan 0.000 0.507 1286 E N 1.586 121.839 120.200 0.088 0.000 2.265 1286 E HA -0.086 4.269 4.350 0.008 0.000 0.196 1286 E C 1.326 178.052 176.600 0.209 0.000 0.996 1286 E CA 0.997 57.483 56.400 0.142 0.000 0.832 1286 E CB -0.138 29.631 29.700 0.114 0.000 0.756 1286 E HN 0.398 nan 8.360 nan 0.000 0.491 1287 G N 0.325 109.230 108.800 0.174 0.000 2.920 1287 G HA2 -0.112 3.853 3.960 0.008 0.000 0.208 1287 G HA3 -0.112 3.853 3.960 0.008 0.000 0.208 1287 G C -0.548 174.312 174.900 -0.068 0.000 1.159 1287 G CA -0.325 44.828 45.100 0.087 0.000 0.784 1287 G HN 0.308 nan 8.290 nan 0.000 0.535 1288 W N 2.204 123.391 121.300 -0.188 0.000 2.728 1288 W HA 0.446 5.110 4.660 0.008 0.000 0.324 1288 W C -0.951 175.544 176.519 -0.039 0.000 1.012 1288 W CA -0.700 56.530 57.345 -0.193 0.000 1.279 1288 W CB 1.367 30.704 29.460 -0.206 0.000 1.289 1288 W HN 0.036 nan 8.180 nan 0.000 0.418 1289 T N 1.948 116.198 114.554 -0.506 0.000 2.885 1289 T HA 0.762 5.117 4.350 0.008 0.000 0.285 1289 T C -0.433 174.003 174.700 -0.440 0.000 1.019 1289 T CA -0.497 61.467 62.100 -0.227 0.000 1.010 1289 T CB 2.957 71.751 68.868 -0.122 0.000 1.022 1289 T HN 0.546 nan 8.240 nan 0.000 0.466 1290 E N 0.000 120.147 120.200 -0.088 0.000 2.725 1290 E HA 0.000 4.355 4.350 0.008 0.000 0.291 1290 E CA 0.000 56.415 56.400 0.024 0.000 0.976 1290 E CB 0.000 29.776 29.700 0.126 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440