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 1epw_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 0.000 177.303 177.300 0.005 0.000 1.155 1 P CA 0.000 63.104 63.100 0.006 0.000 0.800 1 P CB 0.000 31.701 31.700 0.002 0.000 0.726 2 V N 0.292 120.213 119.914 0.012 0.000 2.435 2 V HA 0.565 4.681 4.120 -0.008 0.000 0.290 2 V C 0.155 176.256 176.094 0.012 0.000 1.030 2 V CA -0.127 62.183 62.300 0.016 0.000 0.881 2 V CB 1.753 33.596 31.823 0.034 0.000 0.983 2 V HN 0.717 nan 8.190 nan 0.000 0.445 3 T N 6.188 120.742 114.554 -0.000 0.000 2.758 3 T HA 0.531 4.876 4.350 -0.008 0.000 0.285 3 T C -0.263 174.423 174.700 -0.024 0.000 0.981 3 T CA -0.253 61.839 62.100 -0.014 0.000 0.965 3 T CB 0.606 69.460 68.868 -0.023 0.000 0.927 3 T HN 0.284 nan 8.240 nan 0.000 0.448 4 I N 4.328 124.878 120.570 -0.034 0.000 2.321 4 I HA 0.287 4.452 4.170 -0.008 0.000 0.291 4 I C 0.484 176.515 176.117 -0.142 0.000 0.998 4 I CA -0.885 60.371 61.300 -0.074 0.000 1.227 4 I CB 0.728 38.702 38.000 -0.044 0.000 1.368 4 I HN 0.521 nan 8.210 nan 0.000 0.466 5 N N 5.849 124.435 118.700 -0.189 0.000 2.467 5 N HA 0.237 4.973 4.740 -0.008 0.000 0.262 5 N C -0.231 174.907 175.510 -0.620 0.000 1.234 5 N CA -0.188 52.709 53.050 -0.255 0.000 0.952 5 N CB 0.961 39.414 38.487 -0.056 0.000 1.158 5 N HN 0.472 nan 8.380 nan 0.000 0.463 6 N N 0.688 119.067 118.700 -0.536 0.000 2.314 6 N HA 0.579 5.314 4.740 -0.008 0.000 0.304 6 N C -0.963 174.232 175.510 -0.525 0.000 1.073 6 N CA -0.217 52.458 53.050 -0.625 0.000 0.822 6 N CB 1.480 39.810 38.487 -0.261 0.000 1.280 6 N HN 0.386 nan 8.380 nan 0.000 0.489 7 F N -1.450 118.509 119.950 0.016 0.000 2.799 7 F HA 0.435 4.957 4.527 -0.008 0.000 0.316 7 F C -1.142 174.667 175.800 0.014 0.000 1.155 7 F CA -1.277 56.755 58.000 0.053 0.000 0.916 7 F CB 0.677 39.768 39.000 0.151 0.000 1.294 7 F HN 0.110 nan 8.300 nan 0.000 0.447 8 N N 0.484 119.382 118.700 0.330 0.000 2.370 8 N HA 0.179 4.914 4.740 -0.008 0.000 0.303 8 N C 0.110 175.746 175.510 0.211 0.000 1.103 8 N CA -0.645 52.531 53.050 0.210 0.000 0.848 8 N CB 1.742 40.324 38.487 0.158 0.000 1.235 8 N HN 0.882 nan 8.380 nan 0.000 0.496 9 Y N 2.028 122.340 120.300 0.019 0.000 2.193 9 Y HA -0.153 4.393 4.550 -0.008 0.000 0.285 9 Y C 1.261 177.316 175.900 0.258 0.000 1.166 9 Y CA 1.832 59.967 58.100 0.059 0.000 1.181 9 Y CB 0.030 38.502 38.460 0.020 0.000 0.976 9 Y HN 0.492 nan 8.280 nan 0.000 0.520 10 N N 0.750 119.562 118.700 0.187 0.000 2.461 10 N HA -0.051 4.685 4.740 -0.008 0.000 0.188 10 N C -0.501 175.050 175.510 0.067 0.000 1.134 10 N CA 0.452 53.561 53.050 0.098 0.000 0.878 10 N CB -0.389 38.176 38.487 0.130 0.000 0.972 10 N HN 0.358 nan 8.380 nan 0.000 0.456 11 D N 1.617 122.086 120.400 0.115 0.000 2.400 11 D HA 0.113 4.749 4.640 -0.008 0.000 0.238 11 D C -2.098 174.215 176.300 0.021 0.000 1.157 11 D CA -0.850 53.209 54.000 0.098 0.000 0.889 11 D CB 0.365 41.269 40.800 0.173 0.000 1.199 11 D HN 0.053 nan 8.370 nan 0.000 0.436 12 P HA 0.152 nan 4.420 nan 0.000 0.271 12 P C -0.080 177.178 177.300 -0.069 0.000 1.216 12 P CA -0.220 62.860 63.100 -0.034 0.000 0.776 12 P CB 0.551 32.242 31.700 -0.015 0.000 0.881 13 I N 2.896 123.403 120.570 -0.105 0.000 2.618 13 I HA -0.024 4.142 4.170 -0.008 0.000 0.284 13 I C 0.894 176.962 176.117 -0.081 0.000 1.146 13 I CA 0.794 62.016 61.300 -0.131 0.000 1.425 13 I CB 0.365 38.281 38.000 -0.140 0.000 1.383 13 I HN 0.488 nan 8.210 nan 0.000 0.562 14 D N 3.722 124.081 120.400 -0.068 0.000 2.527 14 D HA 0.020 4.655 4.640 -0.008 0.000 0.224 14 D C 0.326 176.611 176.300 -0.026 0.000 1.217 14 D CA -0.332 53.647 54.000 -0.035 0.000 0.819 14 D CB 0.014 40.807 40.800 -0.011 0.000 1.061 14 D HN 0.473 nan 8.370 nan 0.000 0.515 15 N N 0.199 118.875 118.700 -0.040 0.000 2.753 15 N HA -0.249 4.486 4.740 -0.008 0.000 0.251 15 N C 0.155 175.675 175.510 0.018 0.000 1.097 15 N CA 1.236 54.269 53.050 -0.029 0.000 0.786 15 N CB -1.659 36.807 38.487 -0.036 0.000 1.137 15 N HN 0.653 nan 8.380 nan 0.000 0.566 16 N N -0.507 118.220 118.700 0.046 0.000 3.419 16 N HA 0.138 4.873 4.740 -0.008 0.000 0.224 16 N C 0.393 175.997 175.510 0.157 0.000 1.114 16 N CA -0.198 52.904 53.050 0.087 0.000 1.144 16 N CB 0.261 38.777 38.487 0.049 0.000 1.459 16 N HN -0.026 nan 8.380 nan 0.000 0.632 17 N N 0.387 119.139 118.700 0.087 0.000 2.356 17 N HA 0.282 5.017 4.740 -0.008 0.000 0.178 17 N C -0.462 175.070 175.510 0.038 0.000 1.075 17 N CA 0.392 53.469 53.050 0.045 0.000 0.889 17 N CB 1.330 39.838 38.487 0.035 0.000 0.999 17 N HN 0.329 nan 8.380 nan 0.000 0.464 18 I N 2.101 122.668 120.570 -0.006 0.000 2.468 18 I HA 0.385 4.551 4.170 -0.008 0.000 0.285 18 I C -0.443 175.573 176.117 -0.168 0.000 1.039 18 I CA -0.719 60.454 61.300 -0.211 0.000 1.074 18 I CB 1.563 39.383 38.000 -0.300 0.000 1.228 18 I HN -0.138 nan 8.210 nan 0.000 0.436 19 I N 2.135 122.586 120.570 -0.198 0.000 3.343 19 I HA 0.630 4.796 4.170 -0.008 0.000 0.315 19 I C -1.226 174.760 176.117 -0.219 0.000 1.153 19 I CA -1.123 60.063 61.300 -0.190 0.000 0.952 19 I CB 2.455 40.340 38.000 -0.193 0.000 1.287 19 I HN 0.245 nan 8.210 nan 0.000 0.472 20 M N 3.557 123.069 119.600 -0.147 0.000 2.036 20 M HA 0.440 4.915 4.480 -0.008 0.000 0.337 20 M C -0.692 175.646 176.300 0.064 0.000 1.012 20 M CA -0.329 54.941 55.300 -0.049 0.000 0.962 20 M CB 1.010 33.553 32.600 -0.095 0.000 1.423 20 M HN 0.716 nan 8.290 nan 0.000 0.405 21 M N 2.283 121.916 119.600 0.054 0.000 2.367 21 M HA 0.311 4.787 4.480 -0.008 0.000 0.339 21 M C -0.304 176.063 176.300 0.112 0.000 1.177 21 M CA -0.138 55.167 55.300 0.008 0.000 1.068 21 M CB 1.393 33.847 32.600 -0.243 0.000 1.602 21 M HN 0.659 nan 8.290 nan 0.000 0.457 22 E N 5.273 125.451 120.200 -0.037 0.000 2.103 22 E HA 0.402 4.748 4.350 -0.008 0.000 0.254 22 E C -2.432 174.095 176.600 -0.122 0.000 0.940 22 E CA -2.155 54.085 56.400 -0.266 0.000 0.771 22 E CB 0.768 30.250 29.700 -0.362 0.000 1.153 22 E HN 0.363 nan 8.360 nan 0.000 0.428 23 P HA -0.023 nan 4.420 nan 0.000 0.265 23 P C -2.220 174.966 177.300 -0.188 0.000 1.187 23 P CA -0.881 62.142 63.100 -0.130 0.000 0.766 23 P CB 0.440 32.078 31.700 -0.104 0.000 0.820 24 P HA -0.166 nan 4.420 nan 0.000 0.217 24 P C 0.794 178.016 177.300 -0.129 0.000 1.151 24 P CA 1.597 64.558 63.100 -0.231 0.000 0.849 24 P CB -0.252 31.210 31.700 -0.397 0.000 0.787 25 F N -1.906 117.786 119.950 -0.430 0.000 2.773 25 F HA 0.185 4.707 4.527 -0.008 0.000 0.304 25 F C 1.946 177.634 175.800 -0.186 0.000 1.129 25 F CA -0.333 57.422 58.000 -0.408 0.000 1.378 25 F CB -0.036 38.542 39.000 -0.703 0.000 1.095 25 F HN -0.061 nan 8.300 nan 0.000 0.565 26 A N 0.328 123.177 122.820 0.049 0.000 2.178 26 A HA 0.069 4.385 4.320 -0.008 0.000 0.211 26 A C 1.400 178.987 177.584 0.004 0.000 1.157 26 A CA -0.057 52.059 52.037 0.131 0.000 0.780 26 A CB -0.281 18.782 19.000 0.105 0.000 0.828 26 A HN 0.437 nan 8.150 nan 0.000 0.476 27 R N -2.306 118.199 120.500 0.009 0.000 3.758 27 R HA -0.230 4.105 4.340 -0.008 0.000 0.299 27 R C 1.027 177.086 176.300 -0.402 0.000 1.182 27 R CA 0.519 56.596 56.100 -0.037 0.000 0.809 27 R CB -2.467 27.823 30.300 -0.016 0.000 1.249 27 R HN 1.537 nan 8.270 nan 0.000 0.497 28 G N -1.050 107.378 108.800 -0.619 0.000 2.162 28 G HA2 -0.392 3.563 3.960 -0.008 0.000 0.260 28 G HA3 -0.392 3.563 3.960 -0.008 0.000 0.260 28 G C 0.246 174.770 174.900 -0.626 0.000 0.976 28 G CA 0.976 45.333 45.100 -1.238 0.000 0.655 28 G HN 0.795 nan 8.290 nan 0.000 0.533 29 T N -2.972 111.372 114.554 -0.349 0.000 2.883 29 T HA 0.944 5.289 4.350 -0.008 0.000 0.284 29 T C 1.130 175.763 174.700 -0.112 0.000 1.041 29 T CA 0.513 62.499 62.100 -0.191 0.000 1.007 29 T CB 2.130 70.919 68.868 -0.131 0.000 1.220 29 T HN 2.219 nan 8.240 nan 0.000 0.552 30 G N 1.016 109.785 108.800 -0.052 0.000 2.642 30 G HA2 0.002 3.957 3.960 -0.008 0.000 0.231 30 G HA3 0.002 3.957 3.960 -0.008 0.000 0.231 30 G C -0.432 174.470 174.900 0.003 0.000 1.338 30 G CA 0.153 45.244 45.100 -0.015 0.000 0.883 30 G HN 0.954 nan 8.290 nan 0.000 0.570 31 R N -1.015 119.491 120.500 0.010 0.000 2.553 31 R HA 0.722 5.057 4.340 -0.008 0.000 0.263 31 R C -0.292 176.044 176.300 0.060 0.000 1.066 31 R CA -0.666 55.466 56.100 0.054 0.000 1.135 31 R CB -0.000 30.268 30.300 -0.053 0.000 1.148 31 R HN 0.539 nan 8.270 nan 0.000 0.558 32 Y N 0.189 120.479 120.300 -0.017 0.000 2.458 32 Y HA 0.388 4.933 4.550 -0.008 0.000 0.322 32 Y C -0.562 175.358 175.900 0.034 0.000 1.259 32 Y CA -0.087 58.071 58.100 0.097 0.000 1.302 32 Y CB 0.909 39.385 38.460 0.028 0.000 1.314 32 Y HN 0.384 nan 8.280 nan 0.000 0.509 33 Y N -0.031 120.368 120.300 0.164 0.000 2.409 33 Y HA 0.329 4.875 4.550 -0.007 0.000 0.343 33 Y C -0.086 175.836 175.900 0.036 0.000 0.973 33 Y CA -1.765 56.407 58.100 0.119 0.000 1.064 33 Y CB 1.561 40.117 38.460 0.160 0.000 1.207 33 Y HN 0.345 nan 8.280 nan 0.000 0.452 34 K N 2.415 122.904 120.400 0.149 0.000 2.383 34 K HA 0.611 4.926 4.320 -0.008 0.000 0.286 34 K C -0.720 175.843 176.600 -0.062 0.000 1.051 34 K CA 0.013 56.263 56.287 -0.063 0.000 0.974 34 K CB 0.136 32.555 32.500 -0.134 0.000 0.968 34 K HN 0.816 nan 8.250 nan 0.000 0.475 35 A N 4.416 127.084 122.820 -0.254 0.000 2.374 35 A HA 0.715 5.030 4.320 -0.008 0.000 0.317 35 A C -1.468 175.966 177.584 -0.251 0.000 1.094 35 A CA -0.773 51.217 52.037 -0.077 0.000 0.765 35 A CB 0.639 19.596 19.000 -0.072 0.000 1.268 35 A HN 0.607 nan 8.150 nan 0.000 0.438 36 F N 0.812 120.830 119.950 0.114 0.000 2.493 36 F HA 0.433 4.956 4.527 -0.008 0.000 0.329 36 F C 0.477 176.155 175.800 -0.203 0.000 1.126 36 F CA -0.652 57.192 58.000 -0.261 0.000 0.937 36 F CB 2.167 40.624 39.000 -0.906 0.000 1.146 36 F HN 0.563 nan 8.300 nan 0.000 0.442 37 K N 4.387 124.578 120.400 -0.349 0.000 2.278 37 K HA 0.220 4.535 4.320 -0.008 0.000 0.289 37 K C 0.971 177.490 176.600 -0.134 0.000 1.080 37 K CA 0.040 55.855 56.287 -0.786 0.000 0.934 37 K CB 0.311 32.146 32.500 -1.109 0.000 1.093 37 K HN 0.926 nan 8.250 nan 0.000 0.459 38 I N 3.050 123.557 120.570 -0.105 0.000 2.500 38 I HA -0.142 4.024 4.170 -0.008 0.000 0.252 38 I C 0.449 176.473 176.117 -0.155 0.000 1.142 38 I CA 1.101 62.380 61.300 -0.036 0.000 1.451 38 I CB 0.347 38.153 38.000 -0.323 0.000 1.093 38 I HN 0.782 nan 8.210 nan 0.000 0.430 39 T N -3.262 111.170 114.554 -0.203 0.000 2.762 39 T HA 0.244 4.590 4.350 -0.008 0.000 0.301 39 T C -0.924 173.662 174.700 -0.189 0.000 1.299 39 T CA -0.981 61.038 62.100 -0.134 0.000 1.005 39 T CB 1.161 70.006 68.868 -0.038 0.000 1.377 39 T HN -0.125 nan 8.240 nan 0.000 0.504 40 D N 1.589 121.916 120.400 -0.122 0.000 2.525 40 D HA 0.134 4.770 4.640 -0.008 0.000 0.235 40 D C 0.903 177.142 176.300 -0.102 0.000 1.137 40 D CA 0.503 54.433 54.000 -0.115 0.000 0.868 40 D CB 0.312 41.077 40.800 -0.058 0.000 1.180 40 D HN 0.613 nan 8.370 nan 0.000 0.465 41 R N 0.371 120.819 120.500 -0.086 0.000 4.016 41 R HA -0.209 4.126 4.340 -0.008 0.000 0.385 41 R C -0.207 176.104 176.300 0.018 0.000 1.158 41 R CA 0.780 56.899 56.100 0.031 0.000 1.117 41 R CB -2.111 28.226 30.300 0.061 0.000 1.635 41 R HN 0.564 nan 8.270 nan 0.000 0.560 42 I N -0.126 120.336 120.570 -0.180 0.000 2.436 42 I HA 0.371 4.537 4.170 -0.008 0.000 0.289 42 I C -0.256 175.674 176.117 -0.312 0.000 1.010 42 I CA -0.693 60.554 61.300 -0.088 0.000 1.098 42 I CB 1.412 39.415 38.000 0.006 0.000 1.266 42 I HN -0.133 nan 8.210 nan 0.000 0.434 43 W N 6.350 127.659 121.300 0.015 0.000 2.761 43 W HA 0.620 5.275 4.660 -0.008 0.000 0.340 43 W C -0.703 175.820 176.519 0.006 0.000 1.072 43 W CA -0.575 56.769 57.345 -0.002 0.000 1.215 43 W CB 1.472 30.910 29.460 -0.038 0.000 1.420 43 W HN 0.039 nan 8.180 nan 0.000 0.519 44 I N 4.015 124.764 120.570 0.299 0.000 2.406 44 I HA 0.396 4.561 4.170 -0.008 0.000 0.290 44 I C -0.515 175.787 176.117 0.309 0.000 0.999 44 I CA -1.156 60.309 61.300 0.275 0.000 1.124 44 I CB 1.299 39.467 38.000 0.280 0.000 1.289 44 I HN 0.381 nan 8.210 nan 0.000 0.441 45 I N 8.044 128.706 120.570 0.154 0.000 2.464 45 I HA 0.215 4.381 4.170 -0.008 0.000 0.277 45 I C -1.985 174.224 176.117 0.154 0.000 1.040 45 I CA -1.537 59.834 61.300 0.117 0.000 1.153 45 I CB 2.066 39.889 38.000 -0.296 0.000 1.274 45 I HN 0.253 nan 8.210 nan 0.000 0.469 46 P HA 0.130 nan 4.420 nan 0.000 0.231 46 P C -0.575 176.614 177.300 -0.185 0.000 1.756 46 P CA 0.423 63.418 63.100 -0.175 0.000 0.990 46 P CB -0.048 31.663 31.700 0.018 0.000 1.973 47 E N 0.642 120.822 120.200 -0.034 0.000 2.408 47 E HA 0.373 4.718 4.350 -0.008 0.000 0.275 47 E C -0.166 176.537 176.600 0.173 0.000 0.935 47 E CA -1.180 55.271 56.400 0.084 0.000 0.775 47 E CB 1.640 31.518 29.700 0.296 0.000 1.277 47 E HN 0.066 nan 8.360 nan 0.000 0.455 48 R N 0.901 121.475 120.500 0.124 0.000 2.679 48 R HA 0.047 4.383 4.340 -0.008 0.000 0.268 48 R C -0.499 175.944 176.300 0.239 0.000 1.044 48 R CA 0.112 56.322 56.100 0.183 0.000 1.105 48 R CB -0.108 30.220 30.300 0.047 0.000 0.989 48 R HN 0.539 nan 8.270 nan 0.000 0.447 49 Y N 1.543 121.935 120.300 0.154 0.000 2.452 49 Y HA 0.028 4.574 4.550 -0.007 0.000 0.348 49 Y C 1.110 177.090 175.900 0.134 0.000 0.985 49 Y CA 0.222 58.349 58.100 0.045 0.000 1.214 49 Y CB 0.705 39.220 38.460 0.092 0.000 1.136 49 Y HN 0.676 nan 8.280 nan 0.000 0.523 50 T N 1.601 115.975 114.554 -0.300 0.000 3.023 50 T HA 0.213 4.559 4.350 -0.008 0.000 0.253 50 T C 0.055 174.684 174.700 -0.118 0.000 1.038 50 T CA -0.273 61.803 62.100 -0.039 0.000 0.962 50 T CB -0.564 68.189 68.868 -0.192 0.000 1.018 50 T HN 0.329 nan 8.240 nan 0.000 0.521 51 F N 2.828 122.663 119.950 -0.191 0.000 2.571 51 F HA 0.443 4.965 4.527 -0.008 0.000 0.390 51 F C 1.800 177.606 175.800 0.011 0.000 1.043 51 F CA 0.873 58.786 58.000 -0.145 0.000 1.164 51 F CB -0.269 38.548 39.000 -0.305 0.000 1.049 51 F HN 0.347 nan 8.300 nan 0.000 0.552 52 G N 2.210 111.059 108.800 0.082 0.000 2.179 52 G HA2 -0.316 3.640 3.960 -0.008 0.000 0.260 52 G HA3 -0.316 3.640 3.960 -0.008 0.000 0.260 52 G C -0.421 174.437 174.900 -0.070 0.000 0.977 52 G CA -0.468 44.583 45.100 -0.081 0.000 0.641 52 G HN 0.604 nan 8.290 nan 0.000 0.533 53 Y N 0.530 120.972 120.300 0.236 0.000 2.429 53 Y HA 0.580 5.126 4.550 -0.008 0.000 0.342 53 Y C 0.809 176.849 175.900 0.235 0.000 1.004 53 Y CA -1.024 57.218 58.100 0.237 0.000 1.075 53 Y CB 1.353 39.894 38.460 0.135 0.000 1.214 53 Y HN -0.040 nan 8.280 nan 0.000 0.455 54 K N 4.224 124.864 120.400 0.401 0.000 2.298 54 K HA 0.133 4.448 4.320 -0.008 0.000 0.280 54 K C -1.984 174.835 176.600 0.366 0.000 1.032 54 K CA -1.425 55.035 56.287 0.288 0.000 0.958 54 K CB 0.758 33.382 32.500 0.207 0.000 0.978 54 K HN 0.347 nan 8.250 nan 0.000 0.472 55 P HA -0.283 nan 4.420 nan 0.000 0.216 55 P C 1.054 178.539 177.300 0.308 0.000 1.157 55 P CA 1.372 64.636 63.100 0.273 0.000 0.880 55 P CB 0.165 31.925 31.700 0.100 0.000 0.791 56 E N -0.497 119.818 120.200 0.192 0.000 2.268 56 E HA -0.202 4.144 4.350 -0.008 0.000 0.195 56 E C 0.926 177.612 176.600 0.143 0.000 0.995 56 E CA 1.253 57.733 56.400 0.133 0.000 0.836 56 E CB -1.134 28.606 29.700 0.066 0.000 0.763 56 E HN 0.239 nan 8.360 nan 0.000 0.491 57 D N 0.205 120.723 120.400 0.196 0.000 2.378 57 D HA -0.046 4.589 4.640 -0.008 0.000 0.222 57 D C 0.891 177.266 176.300 0.125 0.000 0.980 57 D CA 0.398 54.482 54.000 0.139 0.000 0.907 57 D CB -0.397 40.559 40.800 0.260 0.000 0.899 57 D HN 0.219 nan 8.370 nan 0.000 0.527 58 F N 0.631 120.658 119.950 0.129 0.000 2.802 58 F HA 0.034 4.557 4.527 -0.008 0.000 0.300 58 F C 0.998 176.855 175.800 0.096 0.000 1.168 58 F CA 0.271 58.341 58.000 0.118 0.000 1.433 58 F CB 0.022 39.039 39.000 0.028 0.000 1.115 58 F HN -0.206 nan 8.300 nan 0.000 0.582 59 N N 0.853 119.619 118.700 0.111 0.000 2.443 59 N HA 0.074 4.809 4.740 -0.008 0.000 0.295 59 N C -0.176 175.118 175.510 -0.360 0.000 1.076 59 N CA -0.527 52.488 53.050 -0.059 0.000 0.919 59 N CB 1.150 39.608 38.487 -0.048 0.000 1.176 59 N HN -0.131 nan 8.380 nan 0.000 0.487 60 K N 1.231 121.367 120.400 -0.440 0.000 2.401 60 K HA 0.091 4.406 4.320 -0.008 0.000 0.278 60 K C 0.019 176.366 176.600 -0.423 0.000 1.018 60 K CA 0.290 56.151 56.287 -0.711 0.000 0.981 60 K CB 0.291 32.618 32.500 -0.289 0.000 0.933 60 K HN 0.832 nan 8.250 nan 0.000 0.477 61 S N 0.842 116.274 115.700 -0.447 0.000 2.998 61 S HA 0.225 4.691 4.470 -0.008 0.000 0.323 61 S C 0.513 175.006 174.600 -0.179 0.000 1.141 61 S CA -0.152 57.900 58.200 -0.248 0.000 0.873 61 S CB 0.758 63.818 63.200 -0.232 0.000 1.315 61 S HN 0.504 nan 8.310 nan 0.000 0.637 62 S N -0.638 114.987 115.700 -0.124 0.000 2.671 62 S HA 0.444 4.910 4.470 -0.008 0.000 0.220 62 S C 0.718 175.273 174.600 -0.074 0.000 0.951 62 S CA -0.083 58.070 58.200 -0.078 0.000 0.932 62 S CB -0.905 62.262 63.200 -0.055 0.000 0.777 62 S HN 1.155 nan 8.310 nan 0.000 0.508 63 G N 1.033 109.757 108.800 -0.126 0.000 2.644 63 G HA2 0.727 4.683 3.960 -0.008 0.000 0.307 63 G HA3 0.727 4.683 3.960 -0.008 0.000 0.307 63 G C -0.976 173.849 174.900 -0.126 0.000 1.250 63 G CA -1.098 43.927 45.100 -0.125 0.000 0.996 63 G HN 0.560 nan 8.290 nan 0.000 0.489 64 I N -3.994 116.510 120.570 -0.110 0.000 2.994 64 I HA 0.607 4.772 4.170 -0.008 0.000 0.306 64 I C -0.392 175.663 176.117 -0.103 0.000 1.195 64 I CA -1.041 60.243 61.300 -0.026 0.000 1.001 64 I CB 1.790 39.843 38.000 0.089 0.000 1.244 64 I HN 0.417 nan 8.210 nan 0.000 0.437 65 F N 0.359 120.356 119.950 0.079 0.000 2.317 65 F HA 0.254 4.776 4.527 -0.008 0.000 0.290 65 F C 1.178 176.978 175.800 -0.001 0.000 1.075 65 F CA 0.647 58.674 58.000 0.046 0.000 1.380 65 F CB 0.339 39.363 39.000 0.039 0.000 1.093 65 F HN 0.565 nan 8.300 nan 0.000 0.524 66 N N 0.291 119.101 118.700 0.185 0.000 2.372 66 N HA 0.184 4.920 4.740 -0.008 0.000 0.285 66 N C 0.366 175.889 175.510 0.021 0.000 1.008 66 N CA -0.226 52.867 53.050 0.072 0.000 0.880 66 N CB 1.427 39.947 38.487 0.055 0.000 1.239 66 N HN 0.073 nan 8.380 nan 0.000 0.484 67 R N 1.145 121.604 120.500 -0.068 0.000 2.328 67 R HA 0.025 4.360 4.340 -0.008 0.000 0.207 67 R C -0.286 176.072 176.300 0.097 0.000 1.056 67 R CA 0.912 56.947 56.100 -0.109 0.000 1.016 67 R CB 0.299 30.392 30.300 -0.345 0.000 0.872 67 R HN 0.527 nan 8.270 nan 0.000 0.471 68 D N -0.170 120.266 120.400 0.061 0.000 2.650 68 D HA 0.126 4.762 4.640 -0.008 0.000 0.265 68 D C -0.805 175.509 176.300 0.025 0.000 1.339 68 D CA 0.151 54.185 54.000 0.057 0.000 0.816 68 D CB 1.244 42.054 40.800 0.017 0.000 1.091 68 D HN -0.127 nan 8.370 nan 0.000 0.483 69 V N 1.060 121.001 119.914 0.045 0.000 2.709 69 V HA 0.157 4.272 4.120 -0.008 0.000 0.308 69 V C 0.014 176.145 176.094 0.062 0.000 1.062 69 V CA -1.016 61.301 62.300 0.029 0.000 0.901 69 V CB 2.643 34.469 31.823 0.005 0.000 1.003 69 V HN 0.207 nan 8.190 nan 0.000 0.425 70 C N 5.206 124.541 119.300 0.058 0.000 2.311 70 C HA 0.308 4.763 4.460 -0.008 0.000 0.357 70 C C 0.739 175.781 174.990 0.086 0.000 1.086 70 C CA -0.531 58.536 59.018 0.083 0.000 1.486 70 C CB -1.698 26.086 27.740 0.074 0.000 1.974 70 C HN 0.898 nan 8.230 nan 0.000 0.508 71 E N 4.174 124.437 120.200 0.105 0.000 2.290 71 E HA 0.112 4.457 4.350 -0.008 0.000 0.277 71 E C -0.957 175.706 176.600 0.104 0.000 1.035 71 E CA 0.075 56.505 56.400 0.050 0.000 0.873 71 E CB 0.836 30.578 29.700 0.069 0.000 1.029 71 E HN 0.737 nan 8.360 nan 0.000 0.419 72 Y N 3.797 123.998 120.300 -0.165 0.000 2.328 72 Y HA 0.273 4.818 4.550 -0.007 0.000 0.337 72 Y C -1.458 174.251 175.900 -0.318 0.000 1.008 72 Y CA -0.959 57.071 58.100 -0.117 0.000 1.129 72 Y CB 0.551 38.932 38.460 -0.132 0.000 1.185 72 Y HN 0.377 nan 8.280 nan 0.000 0.476 73 Y N 3.916 123.742 120.300 -0.791 0.000 2.409 73 Y HA 0.471 5.016 4.550 -0.008 0.000 0.339 73 Y C -0.570 174.740 175.900 -0.983 0.000 1.033 73 Y CA -0.963 56.722 58.100 -0.690 0.000 1.094 73 Y CB 1.795 40.043 38.460 -0.352 0.000 1.210 73 Y HN 0.572 nan 8.280 nan 0.000 0.456 74 D N 3.564 123.674 120.400 -0.482 0.000 2.362 74 D HA 0.147 4.782 4.640 -0.008 0.000 0.228 74 D C -2.381 173.871 176.300 -0.080 0.000 1.326 74 D CA -1.538 52.247 54.000 -0.358 0.000 0.927 74 D CB 1.540 42.114 40.800 -0.376 0.000 1.501 74 D HN 0.213 nan 8.370 nan 0.000 0.519 75 P HA -0.006 nan 4.420 nan 0.000 0.230 75 P C 0.363 177.673 177.300 0.016 0.000 1.158 75 P CA 0.538 63.674 63.100 0.061 0.000 0.769 75 P CB 0.636 32.370 31.700 0.056 0.000 0.807 76 D N -1.505 118.909 120.400 0.023 0.000 2.333 76 D HA -0.058 4.577 4.640 -0.008 0.000 0.208 76 D C 0.648 176.988 176.300 0.066 0.000 0.984 76 D CA 0.022 54.038 54.000 0.026 0.000 0.873 76 D CB -0.698 40.119 40.800 0.029 0.000 0.935 76 D HN 0.211 nan 8.370 nan 0.000 0.521 77 Y N 1.856 122.150 120.300 -0.010 0.000 2.805 77 Y HA -0.066 4.479 4.550 -0.007 0.000 0.331 77 Y C 1.231 177.130 175.900 -0.002 0.000 1.241 77 Y CA 0.291 58.407 58.100 0.027 0.000 1.546 77 Y CB 0.066 38.544 38.460 0.030 0.000 1.248 77 Y HN -0.028 nan 8.280 nan 0.000 0.559 78 L N 3.478 124.430 121.223 -0.451 0.000 4.351 78 L HA -0.385 3.951 4.340 -0.008 0.000 0.410 78 L C 0.834 177.580 176.870 -0.205 0.000 1.150 78 L CA 0.820 55.437 54.840 -0.371 0.000 0.961 78 L CB -1.377 40.473 42.059 -0.348 0.000 2.130 78 L HN 0.816 nan 8.230 nan 0.000 0.787 79 N N -0.203 118.412 118.700 -0.142 0.000 2.370 79 N HA 0.027 4.762 4.740 -0.008 0.000 0.198 79 N C 0.361 175.812 175.510 -0.098 0.000 1.156 79 N CA 0.769 53.756 53.050 -0.105 0.000 0.839 79 N CB 0.102 38.546 38.487 -0.071 0.000 0.989 79 N HN 0.561 nan 8.380 nan 0.000 0.468 80 T N -4.347 110.132 114.554 -0.124 0.000 2.896 80 T HA 0.387 4.733 4.350 -0.008 0.000 0.297 80 T C 0.415 175.017 174.700 -0.163 0.000 1.108 80 T CA -0.782 61.256 62.100 -0.103 0.000 1.004 80 T CB 1.315 70.142 68.868 -0.068 0.000 1.159 80 T HN -0.239 nan 8.240 nan 0.000 0.499 81 N N 0.584 119.212 118.700 -0.121 0.000 2.166 81 N HA -0.062 4.673 4.740 -0.008 0.000 0.186 81 N C 1.366 176.773 175.510 -0.171 0.000 1.019 81 N CA 1.467 54.415 53.050 -0.170 0.000 0.856 81 N CB -0.388 38.128 38.487 0.047 0.000 0.993 81 N HN 0.842 nan 8.380 nan 0.000 0.426 82 D N 0.196 120.549 120.400 -0.078 0.000 2.144 82 D HA -0.048 4.587 4.640 -0.008 0.000 0.200 82 D C 1.547 177.800 176.300 -0.078 0.000 0.978 82 D CA 1.107 55.079 54.000 -0.046 0.000 0.833 82 D CB 0.183 40.974 40.800 -0.014 0.000 0.961 82 D HN 0.158 nan 8.370 nan 0.000 0.470 83 K N -0.026 120.303 120.400 -0.118 0.000 2.057 83 K HA -0.092 4.224 4.320 -0.008 0.000 0.206 83 K C 2.149 178.649 176.600 -0.165 0.000 1.050 83 K CA 0.948 57.152 56.287 -0.138 0.000 0.935 83 K CB 0.052 32.440 32.500 -0.188 0.000 0.715 83 K HN 0.090 nan 8.250 nan 0.000 0.439 84 K N 0.751 120.979 120.400 -0.287 0.000 2.097 84 K HA -0.151 4.165 4.320 -0.008 0.000 0.206 84 K C 1.952 178.436 176.600 -0.193 0.000 1.049 84 K CA 1.215 57.273 56.287 -0.381 0.000 0.933 84 K CB -0.169 31.785 32.500 -0.911 0.000 0.717 84 K HN 0.237 nan 8.250 nan 0.000 0.442 85 N N 1.125 119.732 118.700 -0.154 0.000 2.188 85 N HA -0.123 4.612 4.740 -0.008 0.000 0.184 85 N C 1.775 177.315 175.510 0.049 0.000 1.018 85 N CA 0.770 53.830 53.050 0.015 0.000 0.858 85 N CB 0.090 38.615 38.487 0.063 0.000 0.989 85 N HN 0.131 nan 8.380 nan 0.000 0.426 86 I N 0.129 120.722 120.570 0.038 0.000 2.315 86 I HA -0.217 3.948 4.170 -0.008 0.000 0.248 86 I C 2.081 178.259 176.117 0.103 0.000 1.117 86 I CA 0.693 62.027 61.300 0.056 0.000 1.404 86 I CB -0.342 37.682 38.000 0.039 0.000 1.071 86 I HN 0.109 nan 8.210 nan 0.000 0.419 87 F N 1.507 121.443 119.950 -0.023 0.000 2.102 87 F HA -0.227 4.295 4.527 -0.007 0.000 0.298 87 F C 2.272 178.113 175.800 0.067 0.000 1.105 87 F CA 1.659 59.683 58.000 0.041 0.000 1.239 87 F CB -0.156 38.854 39.000 0.018 0.000 0.991 87 F HN -0.126 nan 8.300 nan 0.000 0.474 88 L N -0.107 121.268 121.223 0.253 0.000 1.989 88 L HA -0.275 4.061 4.340 -0.008 0.000 0.211 88 L C 2.636 179.539 176.870 0.056 0.000 1.071 88 L CA 1.286 56.213 54.840 0.145 0.000 0.749 88 L CB -0.679 41.410 42.059 0.050 0.000 0.890 88 L HN 0.197 nan 8.230 nan 0.000 0.431 89 Q N -0.888 118.934 119.800 0.037 0.000 2.167 89 Q HA -0.141 4.195 4.340 -0.008 0.000 0.202 89 Q C 2.152 178.152 176.000 -0.001 0.000 0.970 89 Q CA 1.842 57.649 55.803 0.005 0.000 0.855 89 Q CB -0.757 27.991 28.738 0.015 0.000 0.911 89 Q HN 0.490 nan 8.270 nan 0.000 0.438 90 T N 1.138 115.685 114.554 -0.012 0.000 2.777 90 T HA -0.052 4.293 4.350 -0.008 0.000 0.266 90 T C 1.807 176.501 174.700 -0.009 0.000 1.040 90 T CA 0.890 62.978 62.100 -0.021 0.000 1.141 90 T CB -0.007 68.827 68.868 -0.057 0.000 0.868 90 T HN 0.107 nan 8.240 nan 0.000 0.444 91 M N 0.700 120.261 119.600 -0.064 0.000 2.175 91 M HA 0.102 4.577 4.480 -0.008 0.000 0.264 91 M C 2.272 178.624 176.300 0.087 0.000 1.063 91 M CA 1.131 56.441 55.300 0.016 0.000 1.119 91 M CB -1.162 31.404 32.600 -0.056 0.000 1.377 91 M HN 0.273 nan 8.290 nan 0.000 0.415 92 I N -0.193 120.373 120.570 -0.006 0.000 2.226 92 I HA -0.333 3.832 4.170 -0.008 0.000 0.245 92 I C 2.549 178.700 176.117 0.056 0.000 1.100 92 I CA 1.285 62.560 61.300 -0.040 0.000 1.374 92 I CB -0.420 37.502 38.000 -0.130 0.000 1.057 92 I HN 0.323 nan 8.210 nan 0.000 0.413 93 K N 1.240 121.679 120.400 0.064 0.000 2.057 93 K HA -0.149 4.166 4.320 -0.008 0.000 0.207 93 K C 2.144 178.833 176.600 0.148 0.000 1.049 93 K CA 1.235 57.579 56.287 0.095 0.000 0.931 93 K CB -0.010 32.553 32.500 0.104 0.000 0.714 93 K HN 0.256 nan 8.250 nan 0.000 0.440 94 L N -0.191 121.140 121.223 0.180 0.000 2.093 94 L HA -0.133 4.203 4.340 -0.008 0.000 0.208 94 L C 2.184 179.133 176.870 0.131 0.000 1.085 94 L CA 0.927 55.870 54.840 0.172 0.000 0.755 94 L CB -0.381 41.774 42.059 0.159 0.000 0.904 94 L HN 0.133 nan 8.230 nan 0.000 0.435 95 F N 0.484 120.423 119.950 -0.018 0.000 2.186 95 F HA -0.156 4.367 4.527 -0.007 0.000 0.299 95 F C 2.496 178.288 175.800 -0.013 0.000 1.090 95 F CA 1.059 59.041 58.000 -0.031 0.000 1.307 95 F CB -0.533 38.444 39.000 -0.039 0.000 1.019 95 F HN 0.134 nan 8.300 nan 0.000 0.489 96 N N 0.071 118.873 118.700 0.169 0.000 2.166 96 N HA -0.177 4.559 4.740 -0.008 0.000 0.186 96 N C 2.077 177.627 175.510 0.067 0.000 1.019 96 N CA 0.986 54.090 53.050 0.089 0.000 0.856 96 N CB -0.389 38.131 38.487 0.055 0.000 0.993 96 N HN 0.261 nan 8.380 nan 0.000 0.426 97 R N 1.013 121.554 120.500 0.069 0.000 2.075 97 R HA 0.042 4.378 4.340 -0.008 0.000 0.232 97 R C 2.245 178.613 176.300 0.113 0.000 1.126 97 R CA 0.843 56.983 56.100 0.067 0.000 0.963 97 R CB -0.237 30.096 30.300 0.054 0.000 0.858 97 R HN 0.132 nan 8.270 nan 0.000 0.435 98 I N 1.676 122.260 120.570 0.024 0.000 2.163 98 I HA -0.310 3.855 4.170 -0.008 0.000 0.243 98 I C 2.033 178.203 176.117 0.090 0.000 1.085 98 I CA 1.865 63.144 61.300 -0.035 0.000 1.347 98 I CB -0.272 37.583 38.000 -0.241 0.000 1.044 98 I HN 0.300 nan 8.210 nan 0.000 0.408 99 K N 0.851 121.287 120.400 0.059 0.000 2.487 99 K HA 0.033 4.349 4.320 -0.008 0.000 0.192 99 K C 1.689 178.331 176.600 0.070 0.000 1.027 99 K CA 0.950 57.278 56.287 0.068 0.000 1.054 99 K CB -0.175 32.355 32.500 0.050 0.000 0.824 99 K HN 0.260 nan 8.250 nan 0.000 0.510 100 S N 0.308 116.059 115.700 0.085 0.000 2.507 100 S HA -0.035 4.430 4.470 -0.008 0.000 0.235 100 S C 0.307 174.891 174.600 -0.026 0.000 0.988 100 S CA 0.156 58.374 58.200 0.030 0.000 0.944 100 S CB -0.216 62.999 63.200 0.026 0.000 0.762 100 S HN 0.305 nan 8.310 nan 0.000 0.526 101 K N 0.627 121.022 120.400 -0.008 0.000 2.426 101 K HA 0.387 4.703 4.320 -0.008 0.000 0.251 101 K C -2.546 174.060 176.600 0.010 0.000 0.941 101 K CA -2.506 53.712 56.287 -0.115 0.000 0.808 101 K CB 1.961 34.168 32.500 -0.488 0.000 1.265 101 K HN -0.245 nan 8.250 nan 0.000 0.432 102 P HA -0.226 nan 4.420 nan 0.000 0.216 102 P C 1.242 178.593 177.300 0.083 0.000 1.154 102 P CA 0.913 64.030 63.100 0.029 0.000 0.865 102 P CB 0.236 31.938 31.700 0.002 0.000 0.789 103 L N -0.427 120.857 121.223 0.102 0.000 2.012 103 L HA -0.066 4.270 4.340 -0.008 0.000 0.210 103 L C 2.236 179.264 176.870 0.264 0.000 1.073 103 L CA 2.500 57.444 54.840 0.174 0.000 0.748 103 L CB -1.583 40.583 42.059 0.178 0.000 0.891 103 L HN -0.038 nan 8.230 nan 0.000 0.431 104 G N -1.586 107.397 108.800 0.305 0.000 2.421 104 G HA2 -0.247 3.708 3.960 -0.008 0.000 0.217 104 G HA3 -0.247 3.708 3.960 -0.008 0.000 0.217 104 G C 1.489 176.440 174.900 0.086 0.000 1.143 104 G CA 0.598 45.806 45.100 0.180 0.000 0.784 104 G HN 0.538 nan 8.290 nan 0.000 0.541 105 E N 0.456 120.718 120.200 0.104 0.000 2.110 105 E HA -0.112 4.234 4.350 -0.008 0.000 0.193 105 E C 2.266 178.897 176.600 0.051 0.000 0.988 105 E CA 0.894 57.329 56.400 0.057 0.000 0.804 105 E CB -0.066 29.666 29.700 0.053 0.000 0.745 105 E HN 0.350 nan 8.360 nan 0.000 0.458 106 K N 0.156 120.616 120.400 0.101 0.000 2.155 106 K HA -0.118 4.197 4.320 -0.008 0.000 0.203 106 K C 2.228 178.855 176.600 0.046 0.000 1.052 106 K CA 0.674 57.035 56.287 0.124 0.000 0.948 106 K CB -0.117 32.515 32.500 0.221 0.000 0.728 106 K HN 0.145 nan 8.250 nan 0.000 0.448 107 L N 1.589 122.816 121.223 0.007 0.000 2.046 107 L HA -0.148 4.188 4.340 -0.008 0.000 0.208 107 L C 1.856 178.561 176.870 -0.274 0.000 1.077 107 L CA 1.544 56.154 54.840 -0.384 0.000 0.747 107 L CB -0.377 41.504 42.059 -0.297 0.000 0.896 107 L HN 0.094 nan 8.230 nan 0.000 0.432 108 L N -0.697 120.440 121.223 -0.144 0.000 2.056 108 L HA -0.196 4.140 4.340 -0.008 0.000 0.207 108 L C 2.550 179.388 176.870 -0.054 0.000 1.078 108 L CA 1.532 56.315 54.840 -0.096 0.000 0.749 108 L CB -0.601 41.428 42.059 -0.050 0.000 0.901 108 L HN 0.341 nan 8.230 nan 0.000 0.433 109 E N -0.473 119.706 120.200 -0.035 0.000 2.110 109 E HA -0.231 4.115 4.350 -0.008 0.000 0.193 109 E C 2.292 178.879 176.600 -0.023 0.000 0.988 109 E CA 1.100 57.490 56.400 -0.016 0.000 0.804 109 E CB -0.063 29.640 29.700 0.004 0.000 0.745 109 E HN 0.381 nan 8.360 nan 0.000 0.458 110 M N 0.178 119.746 119.600 -0.055 0.000 2.175 110 M HA -0.100 4.376 4.480 -0.008 0.000 0.264 110 M C 2.314 178.635 176.300 0.035 0.000 1.063 110 M CA 1.240 56.524 55.300 -0.026 0.000 1.119 110 M CB -0.545 31.943 32.600 -0.186 0.000 1.377 110 M HN 0.165 nan 8.290 nan 0.000 0.415 111 I N -0.130 120.414 120.570 -0.042 0.000 2.252 111 I HA -0.280 3.885 4.170 -0.008 0.000 0.245 111 I C 2.270 178.385 176.117 -0.003 0.000 1.102 111 I CA 1.065 62.358 61.300 -0.011 0.000 1.385 111 I CB -0.271 37.697 38.000 -0.053 0.000 1.064 111 I HN 0.171 nan 8.210 nan 0.000 0.414 112 I N 0.786 121.350 120.570 -0.010 0.000 2.286 112 I HA -0.274 3.891 4.170 -0.008 0.000 0.248 112 I C 1.861 177.953 176.117 -0.041 0.000 1.115 112 I CA 1.315 62.607 61.300 -0.014 0.000 1.392 112 I CB -0.395 37.598 38.000 -0.013 0.000 1.065 112 I HN 0.329 nan 8.210 nan 0.000 0.418 113 N N 0.650 119.321 118.700 -0.048 0.000 2.373 113 N HA 0.027 4.762 4.740 -0.008 0.000 0.181 113 N C 1.377 176.798 175.510 -0.148 0.000 1.082 113 N CA 0.425 53.422 53.050 -0.088 0.000 0.885 113 N CB 0.307 38.757 38.487 -0.062 0.000 0.977 113 N HN 0.251 nan 8.380 nan 0.000 0.462 114 G N 2.441 111.147 108.800 -0.157 0.000 3.455 114 G HA2 0.193 4.148 3.960 -0.008 0.000 0.250 114 G HA3 0.193 4.148 3.960 -0.008 0.000 0.250 114 G C 0.664 175.380 174.900 -0.308 0.000 1.071 114 G CA -0.416 44.421 45.100 -0.438 0.000 1.812 114 G HN 0.287 nan 8.290 nan 0.000 0.643 115 I N -1.783 118.675 120.570 -0.188 0.000 2.710 115 I HA 0.270 4.435 4.170 -0.008 0.000 0.286 115 I C -2.337 173.805 176.117 0.041 0.000 1.181 115 I CA -1.840 59.418 61.300 -0.070 0.000 1.430 115 I CB 0.431 38.364 38.000 -0.111 0.000 1.367 115 I HN -0.090 nan 8.210 nan 0.000 0.577 116 P HA -0.006 nan 4.420 nan 0.000 0.267 116 P C -0.946 176.485 177.300 0.217 0.000 1.200 116 P CA 0.186 63.366 63.100 0.134 0.000 0.772 116 P CB 0.241 32.015 31.700 0.123 0.000 0.855 117 Y N 2.593 122.904 120.300 0.019 0.000 2.457 117 Y HA 0.072 4.618 4.550 -0.008 0.000 0.341 117 Y C 0.414 176.287 175.900 -0.044 0.000 1.240 117 Y CA 0.144 58.071 58.100 -0.288 0.000 1.437 117 Y CB 0.185 38.528 38.460 -0.195 0.000 1.328 117 Y HN 0.160 nan 8.280 nan 0.000 0.588 118 L N 6.718 127.553 121.223 -0.647 0.000 2.384 118 L HA 0.389 4.725 4.340 -0.008 0.000 0.258 118 L C 0.596 177.432 176.870 -0.056 0.000 1.266 118 L CA 0.344 54.951 54.840 -0.389 0.000 1.162 118 L CB -1.370 40.230 42.059 -0.765 0.000 1.375 118 L HN 0.930 nan 8.230 nan 0.000 0.420 119 G N 1.582 110.445 108.800 0.105 0.000 2.357 119 G HA2 0.217 4.172 3.960 -0.008 0.000 0.289 119 G HA3 0.217 4.172 3.960 -0.008 0.000 0.289 119 G C -2.054 172.735 174.900 -0.185 0.000 1.302 119 G CA -0.246 44.903 45.100 0.080 0.000 0.936 119 G HN 0.472 nan 8.290 nan 0.000 0.513 120 D N -2.684 117.407 120.400 -0.514 0.000 2.825 120 D HA 0.378 5.014 4.640 -0.008 0.000 0.327 120 D C 1.520 177.191 176.300 -1.048 0.000 1.277 120 D CA -0.026 53.210 54.000 -1.274 0.000 0.950 120 D CB -0.034 40.386 40.800 -0.632 0.000 1.438 120 D HN 0.790 nan 8.370 nan 0.000 0.526 121 R N 0.024 120.050 120.500 -0.790 0.000 2.185 121 R HA -0.113 4.223 4.340 -0.008 0.000 0.247 121 R C 1.351 177.560 176.300 -0.151 0.000 1.159 121 R CA 1.262 57.240 56.100 -0.204 0.000 0.988 121 R CB -0.486 29.744 30.300 -0.116 0.000 0.871 121 R HN 0.301 nan 8.270 nan 0.000 0.458 122 R N 0.928 121.317 120.500 -0.184 0.000 2.275 122 R HA 0.140 4.475 4.340 -0.008 0.000 0.199 122 R C 0.135 176.390 176.300 -0.075 0.000 0.989 122 R CA 0.281 56.313 56.100 -0.113 0.000 1.016 122 R CB 0.286 30.523 30.300 -0.104 0.000 0.918 122 R HN 0.001 nan 8.270 nan 0.000 0.473 123 V N 3.091 122.958 119.914 -0.078 0.000 2.583 123 V HA 0.138 4.254 4.120 -0.008 0.000 0.287 123 V C -2.009 174.094 176.094 0.015 0.000 1.051 123 V CA -1.914 60.376 62.300 -0.017 0.000 1.010 123 V CB 1.021 32.858 31.823 0.022 0.000 0.988 123 V HN -0.018 nan 8.190 nan 0.000 0.478 124 P HA 0.132 nan 4.420 nan 0.000 0.266 124 P C 1.015 178.330 177.300 0.025 0.000 1.195 124 P CA -0.053 63.053 63.100 0.010 0.000 0.768 124 P CB 0.469 32.169 31.700 0.001 0.000 0.838 125 L N 1.713 122.943 121.223 0.012 0.000 2.127 125 L HA -0.215 4.121 4.340 -0.008 0.000 0.211 125 L C 1.475 178.338 176.870 -0.012 0.000 1.089 125 L CA 1.713 56.557 54.840 0.008 0.000 0.757 125 L CB -0.755 41.296 42.059 -0.013 0.000 0.899 125 L HN 0.416 nan 8.230 nan 0.000 0.434 126 E N -0.270 119.914 120.200 -0.027 0.000 2.502 126 E HA 0.024 4.369 4.350 -0.008 0.000 0.194 126 E C -0.094 176.449 176.600 -0.095 0.000 1.062 126 E CA 0.287 56.652 56.400 -0.059 0.000 0.867 126 E CB 0.136 29.811 29.700 -0.041 0.000 0.888 126 E HN 0.535 nan 8.360 nan 0.000 0.510 127 E N -0.412 119.752 120.200 -0.060 0.000 2.336 127 E HA 0.427 4.773 4.350 -0.008 0.000 0.267 127 E C -0.811 175.805 176.600 0.028 0.000 0.906 127 E CA -0.734 55.636 56.400 -0.050 0.000 0.781 127 E CB 1.679 31.386 29.700 0.011 0.000 1.261 127 E HN -0.038 nan 8.360 nan 0.000 0.436 128 F N 1.534 121.482 119.950 -0.004 0.000 2.426 128 F HA 0.330 4.853 4.527 -0.008 0.000 0.348 128 F C 0.202 175.966 175.800 -0.060 0.000 1.124 128 F CA -0.935 57.020 58.000 -0.074 0.000 1.008 128 F CB 1.528 40.433 39.000 -0.158 0.000 1.139 128 F HN 0.284 nan 8.300 nan 0.000 0.452 129 N N 1.924 120.711 118.700 0.145 0.000 2.491 129 N HA 0.116 4.852 4.740 -0.008 0.000 0.274 129 N C 0.375 175.903 175.510 0.030 0.000 1.023 129 N CA -0.285 52.802 53.050 0.061 0.000 0.902 129 N CB 1.674 40.182 38.487 0.036 0.000 1.267 129 N HN 0.667 nan 8.380 nan 0.000 0.503 130 T N -0.218 114.358 114.554 0.036 0.000 3.081 130 T HA 0.059 4.404 4.350 -0.008 0.000 0.250 130 T C 0.784 175.494 174.700 0.016 0.000 1.100 130 T CA 0.185 62.338 62.100 0.087 0.000 1.038 130 T CB -0.160 68.828 68.868 0.201 0.000 0.962 130 T HN 0.289 nan 8.240 nan 0.000 0.516 131 N N 2.360 121.043 118.700 -0.029 0.000 3.091 131 N HA 0.258 4.994 4.740 -0.008 0.000 0.301 131 N C -0.435 175.015 175.510 -0.100 0.000 1.325 131 N CA -0.708 52.290 53.050 -0.086 0.000 1.143 131 N CB -0.832 37.602 38.487 -0.089 0.000 1.450 131 N HN 0.779 nan 8.380 nan 0.000 0.542 132 I N -3.993 116.528 120.570 -0.081 0.000 2.802 132 I HA 0.565 4.730 4.170 -0.008 0.000 0.298 132 I C 0.789 176.865 176.117 -0.069 0.000 1.176 132 I CA -1.237 60.016 61.300 -0.079 0.000 1.025 132 I CB 1.576 39.541 38.000 -0.058 0.000 1.243 132 I HN -0.186 nan 8.210 nan 0.000 0.424 133 A N 3.043 125.824 122.820 -0.064 0.000 2.131 133 A HA -0.127 4.189 4.320 -0.008 0.000 0.220 133 A C 1.937 179.511 177.584 -0.017 0.000 1.158 133 A CA 2.070 54.084 52.037 -0.039 0.000 0.665 133 A CB -0.876 18.125 19.000 0.003 0.000 0.795 133 A HN 0.958 nan 8.150 nan 0.000 0.460 134 S N -1.883 113.817 115.700 0.001 0.000 2.575 134 S HA 0.230 4.696 4.470 -0.008 0.000 0.215 134 S C 1.123 175.759 174.600 0.061 0.000 0.966 134 S CA 0.664 58.883 58.200 0.032 0.000 0.911 134 S CB 0.290 63.517 63.200 0.046 0.000 0.780 134 S HN 0.209 nan 8.310 nan 0.000 0.514 135 V N 0.476 120.428 119.914 0.063 0.000 2.996 135 V HA 0.235 4.350 4.120 -0.008 0.000 0.235 135 V C 0.661 176.873 176.094 0.197 0.000 1.205 135 V CA 0.753 63.139 62.300 0.143 0.000 1.225 135 V CB 0.112 32.019 31.823 0.139 0.000 0.995 135 V HN 0.413 nan 8.190 nan 0.000 0.484 136 T N 0.923 115.514 114.554 0.062 0.000 2.855 136 T HA 0.680 5.026 4.350 -0.008 0.000 0.281 136 T C -1.091 173.559 174.700 -0.083 0.000 1.007 136 T CA -0.164 61.905 62.100 -0.053 0.000 1.009 136 T CB 2.529 71.302 68.868 -0.158 0.000 0.983 136 T HN 0.046 nan 8.240 nan 0.000 0.455 137 V N 3.329 123.178 119.914 -0.108 0.000 2.709 137 V HA 0.528 4.643 4.120 -0.008 0.000 0.308 137 V C -1.193 174.830 176.094 -0.119 0.000 1.062 137 V CA -0.938 61.298 62.300 -0.106 0.000 0.901 137 V CB 2.118 33.859 31.823 -0.136 0.000 1.003 137 V HN 0.821 nan 8.190 nan 0.000 0.425 138 N N 4.538 123.208 118.700 -0.051 0.000 2.508 138 N HA 0.484 5.219 4.740 -0.008 0.000 0.285 138 N C -0.895 174.620 175.510 0.009 0.000 1.144 138 N CA -0.417 52.629 53.050 -0.006 0.000 0.978 138 N CB 1.531 40.086 38.487 0.114 0.000 1.180 138 N HN 0.772 nan 8.380 nan 0.000 0.484 139 K N -0.151 120.250 120.400 0.001 0.000 2.324 139 K HA 0.503 4.819 4.320 -0.008 0.000 0.253 139 K C -1.064 175.542 176.600 0.010 0.000 0.932 139 K CA -0.905 55.377 56.287 -0.008 0.000 0.799 139 K CB 1.714 34.144 32.500 -0.115 0.000 1.154 139 K HN 0.227 nan 8.250 nan 0.000 0.425 140 L N 3.972 125.161 121.223 -0.057 0.000 2.281 140 L HA 0.242 4.578 4.340 -0.008 0.000 0.285 140 L C -0.006 176.754 176.870 -0.183 0.000 1.074 140 L CA -0.131 54.566 54.840 -0.238 0.000 0.817 140 L CB 0.646 42.267 42.059 -0.730 0.000 1.168 140 L HN 0.868 nan 8.230 nan 0.000 0.434 141 I N 2.112 122.603 120.570 -0.133 0.000 2.628 141 I HA 0.061 4.227 4.170 -0.008 0.000 0.255 141 I C 1.355 177.406 176.117 -0.108 0.000 1.119 141 I CA 0.744 61.982 61.300 -0.103 0.000 1.448 141 I CB -0.475 37.484 38.000 -0.069 0.000 1.133 141 I HN 0.768 nan 8.210 nan 0.000 0.438 142 S N 1.964 117.595 115.700 -0.114 0.000 2.553 142 S HA -0.006 4.460 4.470 -0.008 0.000 0.271 142 S C 0.371 174.904 174.600 -0.112 0.000 1.362 142 S CA -0.510 57.629 58.200 -0.102 0.000 1.010 142 S CB -0.208 62.933 63.200 -0.098 0.000 0.865 142 S HN 0.283 nan 8.310 nan 0.000 0.543 143 N N 1.664 120.312 118.700 -0.087 0.000 2.340 143 N HA 0.237 4.972 4.740 -0.008 0.000 0.236 143 N C -2.634 172.820 175.510 -0.094 0.000 1.296 143 N CA -1.017 51.985 53.050 -0.080 0.000 0.896 143 N CB -0.883 37.569 38.487 -0.058 0.000 1.127 143 N HN 0.434 nan 8.380 nan 0.000 0.442 144 P HA 0.107 nan 4.420 nan 0.000 0.269 144 P C 0.737 177.995 177.300 -0.070 0.000 1.209 144 P CA 0.501 63.549 63.100 -0.086 0.000 0.776 144 P CB 0.387 32.046 31.700 -0.068 0.000 0.876 145 G N 0.638 109.397 108.800 -0.069 0.000 2.141 145 G HA2 -0.173 3.783 3.960 -0.008 0.000 0.242 145 G HA3 -0.173 3.783 3.960 -0.008 0.000 0.242 145 G C -0.345 174.525 174.900 -0.050 0.000 0.982 145 G CA 0.248 45.318 45.100 -0.050 0.000 0.662 145 G HN 0.752 nan 8.290 nan 0.000 0.527 146 E N -2.297 117.860 120.200 -0.071 0.000 2.422 146 E HA 0.441 4.786 4.350 -0.008 0.000 0.289 146 E C 0.093 176.634 176.600 -0.099 0.000 0.985 146 E CA -0.588 55.773 56.400 -0.064 0.000 0.812 146 E CB 1.130 30.798 29.700 -0.052 0.000 1.226 146 E HN 0.977 nan 8.360 nan 0.000 0.419 147 V N -0.155 119.717 119.914 -0.070 0.000 3.249 147 V HA 0.109 4.225 4.120 -0.008 0.000 0.338 147 V C 1.287 177.354 176.094 -0.045 0.000 1.363 147 V CA 0.825 63.076 62.300 -0.082 0.000 1.205 147 V CB -0.841 30.994 31.823 0.021 0.000 1.164 147 V HN 0.796 nan 8.190 nan 0.000 0.458 148 E N 1.185 121.357 120.200 -0.047 0.000 2.333 148 E HA -0.162 4.184 4.350 -0.008 0.000 0.200 148 E C 0.925 177.508 176.600 -0.028 0.000 1.010 148 E CA 1.129 57.511 56.400 -0.029 0.000 0.841 148 E CB -0.142 29.539 29.700 -0.031 0.000 0.757 148 E HN 0.729 nan 8.360 nan 0.000 0.508 149 R N 0.672 121.144 120.500 -0.046 0.000 2.510 149 R HA 0.332 4.668 4.340 -0.008 0.000 0.294 149 R C -1.142 175.132 176.300 -0.043 0.000 1.056 149 R CA -0.672 55.406 56.100 -0.038 0.000 0.918 149 R CB 1.680 31.953 30.300 -0.044 0.000 1.187 149 R HN 0.087 nan 8.270 nan 0.000 0.437 150 K N 1.546 121.940 120.400 -0.009 0.000 2.395 150 K HA 0.653 4.968 4.320 -0.008 0.000 0.247 150 K C -1.113 175.485 176.600 -0.004 0.000 0.973 150 K CA -1.216 55.076 56.287 0.008 0.000 0.828 150 K CB 2.697 35.250 32.500 0.088 0.000 1.272 150 K HN 0.142 nan 8.250 nan 0.000 0.439 151 K N 0.059 120.449 120.400 -0.016 0.000 2.469 151 K HA 0.436 4.752 4.320 -0.008 0.000 0.254 151 K C -0.937 175.619 176.600 -0.073 0.000 0.939 151 K CA -0.495 55.764 56.287 -0.045 0.000 0.812 151 K CB 2.204 34.674 32.500 -0.050 0.000 1.301 151 K HN 0.841 nan 8.250 nan 0.000 0.433 152 G N 2.853 111.581 108.800 -0.119 0.000 2.425 152 G HA2 0.656 4.611 3.960 -0.008 0.000 0.302 152 G HA3 0.656 4.611 3.960 -0.008 0.000 0.302 152 G C -0.642 174.105 174.900 -0.255 0.000 1.159 152 G CA -0.662 44.325 45.100 -0.188 0.000 0.865 152 G HN 0.703 nan 8.290 nan 0.000 0.515 153 I N -2.115 118.283 120.570 -0.286 0.000 2.894 153 I HA 0.655 4.820 4.170 -0.008 0.000 0.302 153 I C -1.353 174.596 176.117 -0.279 0.000 1.188 153 I CA -1.408 59.728 61.300 -0.273 0.000 1.014 153 I CB 2.295 40.251 38.000 -0.074 0.000 1.242 153 I HN 0.330 nan 8.210 nan 0.000 0.430 154 F N 2.861 122.846 119.950 0.059 0.000 2.385 154 F HA 0.816 5.339 4.527 -0.008 0.000 0.336 154 F C 0.722 176.594 175.800 0.119 0.000 1.100 154 F CA -0.356 57.683 58.000 0.065 0.000 1.116 154 F CB 1.795 40.839 39.000 0.074 0.000 1.166 154 F HN 0.749 nan 8.300 nan 0.000 0.511 155 A N 2.306 125.309 122.820 0.306 0.000 2.556 155 A HA 0.592 4.907 4.320 -0.008 0.000 0.294 155 A C -0.518 177.193 177.584 0.211 0.000 1.091 155 A CA -0.725 51.485 52.037 0.288 0.000 0.704 155 A CB 1.485 20.634 19.000 0.248 0.000 1.300 155 A HN 0.680 nan 8.150 nan 0.000 0.406 156 N N -0.994 117.824 118.700 0.197 0.000 2.564 156 N HA 0.299 5.034 4.740 -0.008 0.000 0.202 156 N C -0.638 174.955 175.510 0.139 0.000 1.052 156 N CA 0.575 53.705 53.050 0.133 0.000 0.872 156 N CB 0.439 38.979 38.487 0.088 0.000 1.303 156 N HN 0.540 nan 8.380 nan 0.000 0.440 157 L N 0.630 121.960 121.223 0.179 0.000 2.455 157 L HA 0.585 4.920 4.340 -0.008 0.000 0.264 157 L C -1.849 175.157 176.870 0.228 0.000 0.968 157 L CA -0.509 54.438 54.840 0.178 0.000 0.827 157 L CB 1.857 44.009 42.059 0.155 0.000 1.317 157 L HN -0.050 nan 8.230 nan 0.000 0.407 158 I N 6.084 126.771 120.570 0.194 0.000 2.439 158 I HA 0.435 4.601 4.170 -0.008 0.000 0.283 158 I C -0.754 175.469 176.117 0.177 0.000 1.023 158 I CA -0.383 61.005 61.300 0.147 0.000 1.100 158 I CB 1.663 39.690 38.000 0.045 0.000 1.238 158 I HN 0.467 nan 8.210 nan 0.000 0.445 159 I N 6.080 126.751 120.570 0.168 0.000 2.321 159 I HA 0.383 4.549 4.170 -0.008 0.000 0.291 159 I C -0.432 175.854 176.117 0.283 0.000 0.998 159 I CA -0.261 61.216 61.300 0.294 0.000 1.227 159 I CB 0.863 39.054 38.000 0.318 0.000 1.368 159 I HN 0.345 nan 8.210 nan 0.000 0.466 160 F N 3.015 123.199 119.950 0.391 0.000 2.461 160 F HA 0.658 5.181 4.527 -0.008 0.000 0.337 160 F C 1.226 177.270 175.800 0.408 0.000 1.079 160 F CA -0.286 57.943 58.000 0.382 0.000 1.032 160 F CB 0.700 39.989 39.000 0.482 0.000 1.327 160 F HN 0.372 nan 8.300 nan 0.000 0.491 161 G N -0.106 108.955 108.800 0.436 0.000 2.563 161 G HA2 0.466 4.421 3.960 -0.008 0.000 0.283 161 G HA3 0.466 4.421 3.960 -0.008 0.000 0.283 161 G C -2.694 172.433 174.900 0.379 0.000 1.309 161 G CA -1.362 43.899 45.100 0.268 0.000 1.022 161 G HN 0.320 nan 8.290 nan 0.000 0.501 162 P HA 0.177 nan 4.420 nan 0.000 0.272 162 P C 0.509 177.883 177.300 0.123 0.000 1.240 162 P CA 0.053 63.230 63.100 0.130 0.000 0.791 162 P CB 1.005 32.686 31.700 -0.032 0.000 0.978 163 G N 0.669 109.415 108.800 -0.090 0.000 2.582 163 G HA2 0.255 4.211 3.960 -0.008 0.000 0.232 163 G HA3 0.255 4.211 3.960 -0.008 0.000 0.232 163 G C -1.686 172.878 174.900 -0.561 0.000 1.458 163 G CA -0.955 43.955 45.100 -0.315 0.000 1.062 163 G HN 0.236 nan 8.290 nan 0.000 0.566 164 P HA -0.050 nan 4.420 nan 0.000 0.215 164 P C 0.462 177.328 177.300 -0.722 0.000 1.157 164 P CA 0.759 63.207 63.100 -1.087 0.000 0.874 164 P CB 0.059 31.211 31.700 -0.913 0.000 0.790 165 V N 1.146 120.603 119.914 -0.761 0.000 2.348 165 V HA 0.065 4.180 4.120 -0.008 0.000 0.270 165 V C 1.741 177.552 176.094 -0.473 0.000 1.037 165 V CA -0.029 61.826 62.300 -0.743 0.000 0.872 165 V CB 0.486 31.967 31.823 -0.569 0.000 1.002 165 V HN 0.014 nan 8.190 nan 0.000 0.464 166 L N 3.820 124.784 121.223 -0.432 0.000 2.042 166 L HA -0.148 4.188 4.340 -0.008 0.000 0.210 166 L C 2.140 178.878 176.870 -0.219 0.000 1.076 166 L CA 1.544 56.178 54.840 -0.342 0.000 0.749 166 L CB -0.426 41.357 42.059 -0.459 0.000 0.893 166 L HN 0.884 nan 8.230 nan 0.000 0.432 167 N N 0.039 118.647 118.700 -0.154 0.000 2.383 167 N HA -0.089 4.646 4.740 -0.008 0.000 0.192 167 N C 0.121 175.572 175.510 -0.099 0.000 1.141 167 N CA 0.248 53.246 53.050 -0.088 0.000 0.851 167 N CB -0.081 38.394 38.487 -0.021 0.000 0.976 167 N HN 0.446 nan 8.380 nan 0.000 0.465 168 E N 1.265 121.378 120.200 -0.146 0.000 2.282 168 E HA 0.178 4.523 4.350 -0.008 0.000 0.247 168 E C -0.614 175.925 176.600 -0.102 0.000 1.113 168 E CA -0.540 55.784 56.400 -0.127 0.000 1.095 168 E CB 0.178 29.774 29.700 -0.174 0.000 1.328 168 E HN 0.250 nan 8.360 nan 0.000 0.463 169 N N 2.700 121.382 118.700 -0.031 0.000 2.492 169 N HA 0.049 4.784 4.740 -0.008 0.000 0.260 169 N C -0.129 175.415 175.510 0.056 0.000 1.215 169 N CA 0.650 53.739 53.050 0.066 0.000 0.923 169 N CB 1.129 39.739 38.487 0.205 0.000 1.092 169 N HN 0.467 nan 8.380 nan 0.000 0.448 170 E N 0.154 120.390 120.200 0.059 0.000 2.372 170 E HA 0.251 4.596 4.350 -0.008 0.000 0.279 170 E C -1.537 175.089 176.600 0.042 0.000 0.946 170 E CA -0.546 55.868 56.400 0.024 0.000 0.769 170 E CB 1.469 31.133 29.700 -0.060 0.000 1.230 170 E HN 0.307 nan 8.360 nan 0.000 0.442 171 T N 3.880 118.456 114.554 0.038 0.000 2.794 171 T HA 0.530 4.875 4.350 -0.008 0.000 0.280 171 T C -0.241 174.475 174.700 0.027 0.000 0.987 171 T CA -0.328 61.806 62.100 0.057 0.000 0.993 171 T CB 0.319 69.244 68.868 0.094 0.000 0.939 171 T HN 0.292 nan 8.240 nan 0.000 0.449 172 I N 3.891 124.509 120.570 0.081 0.000 2.509 172 I HA 0.400 4.566 4.170 -0.008 0.000 0.293 172 I C -0.278 175.937 176.117 0.164 0.000 1.020 172 I CA -1.016 60.366 61.300 0.136 0.000 1.088 172 I CB 1.908 40.045 38.000 0.228 0.000 1.267 172 I HN 0.643 nan 8.210 nan 0.000 0.430 173 D N 6.246 126.764 120.400 0.196 0.000 2.326 173 D HA 0.499 5.134 4.640 -0.008 0.000 0.248 173 D C -0.488 176.061 176.300 0.415 0.000 1.001 173 D CA -0.527 53.623 54.000 0.248 0.000 0.961 173 D CB 2.370 43.299 40.800 0.216 0.000 1.183 173 D HN 0.247 nan 8.370 nan 0.000 0.502 174 I N 0.418 121.201 120.570 0.356 0.000 2.315 174 I HA 0.366 4.531 4.170 -0.008 0.000 0.291 174 I C 0.785 177.027 176.117 0.208 0.000 1.006 174 I CA -0.467 61.023 61.300 0.317 0.000 1.265 174 I CB 1.516 39.594 38.000 0.130 0.000 1.387 174 I HN 0.396 nan 8.210 nan 0.000 0.475 175 G N 7.234 116.011 108.800 -0.039 0.000 2.371 175 G HA2 0.786 4.742 3.960 -0.008 0.000 0.326 175 G HA3 0.786 4.742 3.960 -0.008 0.000 0.326 175 G C -0.771 173.937 174.900 -0.319 0.000 1.127 175 G CA -0.420 44.231 45.100 -0.748 0.000 0.885 175 G HN 0.510 nan 8.290 nan 0.000 0.477 176 I N 0.789 121.186 120.570 -0.287 0.000 2.571 176 I HA 0.240 4.406 4.170 -0.008 0.000 0.289 176 I C -0.045 176.006 176.117 -0.110 0.000 1.115 176 I CA -0.486 60.732 61.300 -0.138 0.000 1.045 176 I CB 2.212 40.165 38.000 -0.079 0.000 1.238 176 I HN 0.645 nan 8.210 nan 0.000 0.424 177 Q N 4.802 124.554 119.800 -0.080 0.000 2.460 177 Q HA -0.251 4.085 4.340 -0.008 0.000 0.311 177 Q C 0.122 176.118 176.000 -0.007 0.000 1.396 177 Q CA 0.882 56.669 55.803 -0.027 0.000 0.838 177 Q CB -1.225 27.518 28.738 0.008 0.000 1.140 177 Q HN 0.938 nan 8.270 nan 0.000 0.415 178 N N -1.567 117.050 118.700 -0.138 0.000 2.778 178 N HA -0.227 4.509 4.740 -0.008 0.000 0.249 178 N C -0.509 174.734 175.510 -0.446 0.000 1.069 178 N CA 0.991 53.898 53.050 -0.238 0.000 0.831 178 N CB -0.559 37.827 38.487 -0.169 0.000 1.142 178 N HN 0.534 nan 8.380 nan 0.000 0.573 179 H N -0.873 118.042 119.070 -0.260 0.000 2.821 179 H HA 0.440 4.991 4.556 -0.008 0.000 0.373 179 H C -0.990 174.133 175.328 -0.340 0.000 1.165 179 H CA -0.363 55.593 56.048 -0.152 0.000 1.154 179 H CB 1.031 30.771 29.762 -0.036 0.000 1.765 179 H HN -0.094 nan 8.280 nan 0.000 0.549 180 F N 0.286 120.346 119.950 0.183 0.000 2.445 180 F HA 0.312 4.834 4.527 -0.007 0.000 0.348 180 F C 1.164 177.079 175.800 0.192 0.000 1.125 180 F CA -0.573 57.518 58.000 0.152 0.000 0.983 180 F CB 1.652 40.726 39.000 0.124 0.000 1.198 180 F HN 0.691 nan 8.300 nan 0.000 0.436 181 A N 1.530 124.527 122.820 0.295 0.000 1.978 181 A HA -0.166 4.150 4.320 -0.008 0.000 0.220 181 A C 2.136 179.957 177.584 0.396 0.000 1.170 181 A CA 2.004 54.232 52.037 0.318 0.000 0.636 181 A CB -0.740 18.351 19.000 0.152 0.000 0.810 181 A HN 0.707 nan 8.150 nan 0.000 0.448 182 S N -0.972 114.933 115.700 0.341 0.000 2.607 182 S HA 0.028 4.494 4.470 -0.008 0.000 0.224 182 S C 1.352 176.113 174.600 0.268 0.000 0.969 182 S CA 0.654 59.028 58.200 0.289 0.000 0.927 182 S CB -0.161 63.187 63.200 0.246 0.000 0.772 182 S HN 0.655 nan 8.310 nan 0.000 0.533 183 R N 0.379 121.057 120.500 0.297 0.000 2.476 183 R HA 0.295 4.630 4.340 -0.008 0.000 0.276 183 R C 0.193 176.642 176.300 0.249 0.000 0.941 183 R CA 0.092 56.332 56.100 0.235 0.000 1.088 183 R CB 0.380 30.799 30.300 0.197 0.000 1.216 183 R HN 0.478 nan 8.270 nan 0.000 0.533 184 E N -0.045 120.336 120.200 0.301 0.000 2.887 184 E HA 0.209 4.554 4.350 -0.008 0.000 0.206 184 E C 0.486 177.112 176.600 0.044 0.000 0.983 184 E CA 0.164 56.712 56.400 0.247 0.000 1.141 184 E CB 1.521 31.447 29.700 0.377 0.000 1.061 184 E HN 0.373 nan 8.360 nan 0.000 0.468 185 G N 0.878 109.741 108.800 0.105 0.000 2.284 185 G HA2 -0.363 3.592 3.960 -0.008 0.000 0.230 185 G HA3 -0.363 3.592 3.960 -0.008 0.000 0.230 185 G C 0.749 175.542 174.900 -0.177 0.000 1.021 185 G CA 0.259 45.336 45.100 -0.037 0.000 0.619 185 G HN 0.297 nan 8.290 nan 0.000 0.510 186 F N 1.428 121.407 119.950 0.049 0.000 2.128 186 F HA 0.400 4.923 4.527 -0.007 0.000 0.295 186 F C 2.104 177.985 175.800 0.135 0.000 1.100 186 F CA 2.011 60.039 58.000 0.046 0.000 1.260 186 F CB -0.573 38.454 39.000 0.045 0.000 1.009 186 F HN 1.216 nan 8.300 nan 0.000 0.476 187 G N -0.674 108.338 108.800 0.354 0.000 2.707 187 G HA2 0.362 4.317 3.960 -0.008 0.000 0.686 187 G HA3 0.362 4.317 3.960 -0.008 0.000 0.686 187 G C -0.475 174.559 174.900 0.223 0.000 1.315 187 G CA -0.738 44.504 45.100 0.238 0.000 0.832 187 G HN 0.928 nan 8.290 nan 0.000 0.573 188 G N -1.352 107.551 108.800 0.170 0.000 2.547 188 G HA2 0.651 4.606 3.960 -0.008 0.000 0.291 188 G HA3 0.651 4.606 3.960 -0.008 0.000 0.291 188 G C -0.296 174.676 174.900 0.120 0.000 1.471 188 G CA -0.394 44.792 45.100 0.144 0.000 0.798 188 G HN 1.241 nan 8.290 nan 0.000 0.504 189 I N 1.634 122.263 120.570 0.098 0.000 2.906 189 I HA -0.031 4.135 4.170 -0.008 0.000 0.301 189 I C 0.430 176.595 176.117 0.080 0.000 1.221 189 I CA 0.525 61.875 61.300 0.084 0.000 1.435 189 I CB 0.319 38.347 38.000 0.047 0.000 1.345 189 I HN 0.158 nan 8.210 nan 0.000 0.558 190 M N 6.579 126.237 119.600 0.097 0.000 2.472 190 M HA 0.450 4.926 4.480 -0.008 0.000 0.331 190 M C -0.408 175.964 176.300 0.119 0.000 1.170 190 M CA -0.449 54.915 55.300 0.107 0.000 1.009 190 M CB 1.683 34.351 32.600 0.113 0.000 1.672 190 M HN 0.520 nan 8.290 nan 0.000 0.453 191 Q N 1.681 121.560 119.800 0.132 0.000 2.433 191 Q HA 0.803 5.139 4.340 -0.008 0.000 0.279 191 Q C -1.183 174.943 176.000 0.211 0.000 1.105 191 Q CA -0.691 55.239 55.803 0.212 0.000 0.815 191 Q CB 3.895 32.764 28.738 0.220 0.000 1.403 191 Q HN 0.693 nan 8.270 nan 0.000 0.435 192 M N 1.681 121.458 119.600 0.295 0.000 2.484 192 M HA 0.411 4.887 4.480 -0.008 0.000 0.289 192 M C -2.075 174.399 176.300 0.289 0.000 1.206 192 M CA -0.705 54.731 55.300 0.227 0.000 0.892 192 M CB 2.380 35.114 32.600 0.223 0.000 1.712 192 M HN 0.608 nan 8.290 nan 0.000 0.462 193 K N 2.851 123.333 120.400 0.137 0.000 2.307 193 K HA 0.657 4.972 4.320 -0.008 0.000 0.263 193 K C -1.904 174.890 176.600 0.325 0.000 0.973 193 K CA -0.519 55.870 56.287 0.169 0.000 0.846 193 K CB 1.848 34.248 32.500 -0.168 0.000 1.100 193 K HN 0.514 nan 8.250 nan 0.000 0.438 194 F N 2.589 122.702 119.950 0.271 0.000 2.591 194 F HA 0.516 5.038 4.527 -0.008 0.000 0.309 194 F C -1.730 174.286 175.800 0.360 0.000 1.098 194 F CA -1.003 57.154 58.000 0.260 0.000 0.937 194 F CB 1.959 41.117 39.000 0.263 0.000 1.250 194 F HN 0.819 nan 8.300 nan 0.000 0.447 195 C N 9.034 127.957 119.300 -0.629 0.000 2.383 195 C HA 0.534 4.989 4.460 -0.008 0.000 0.330 195 C C -1.664 172.871 174.990 -0.758 0.000 1.168 195 C CA -1.629 57.175 59.018 -0.358 0.000 1.374 195 C CB 1.077 28.685 27.740 -0.221 0.000 2.014 195 C HN 0.753 nan 8.230 nan 0.000 0.439 196 P HA -0.025 nan 4.420 nan 0.000 0.220 196 P C 0.803 178.022 177.300 -0.136 0.000 1.152 196 P CA 1.523 64.458 63.100 -0.275 0.000 0.812 196 P CB 0.566 32.247 31.700 -0.033 0.000 0.792 197 E N -0.763 119.391 120.200 -0.076 0.000 2.122 197 E HA -0.055 4.290 4.350 -0.008 0.000 0.190 197 E C 0.189 176.567 176.600 -0.370 0.000 0.977 197 E CA 0.762 57.036 56.400 -0.208 0.000 0.820 197 E CB -0.686 28.848 29.700 -0.277 0.000 0.770 197 E HN 0.378 nan 8.360 nan 0.000 0.462 198 Y N 1.101 121.326 120.300 -0.124 0.000 2.650 198 Y HA 0.241 4.786 4.550 -0.008 0.000 0.343 198 Y C 0.118 175.947 175.900 -0.119 0.000 1.078 198 Y CA -1.129 56.886 58.100 -0.142 0.000 1.356 198 Y CB 0.287 38.649 38.460 -0.163 0.000 1.204 198 Y HN -0.193 nan 8.280 nan 0.000 0.508 199 V N 0.028 119.939 119.914 -0.006 0.000 2.713 199 V HA 0.697 4.813 4.120 -0.008 0.000 0.307 199 V C 0.292 176.419 176.094 0.055 0.000 1.052 199 V CA -1.150 61.173 62.300 0.039 0.000 0.967 199 V CB 1.485 33.369 31.823 0.101 0.000 1.019 199 V HN 0.646 nan 8.190 nan 0.000 0.459 200 S N 2.429 118.181 115.700 0.086 0.000 2.584 200 S HA 0.612 5.078 4.470 -0.008 0.000 0.270 200 S C -0.186 174.507 174.600 0.155 0.000 1.346 200 S CA -0.496 57.764 58.200 0.100 0.000 1.018 200 S CB 1.174 64.432 63.200 0.097 0.000 0.899 200 S HN 1.123 nan 8.310 nan 0.000 0.542 201 V N 2.469 122.462 119.914 0.131 0.000 2.735 201 V HA 0.776 4.891 4.120 -0.008 0.000 0.310 201 V C -0.696 175.496 176.094 0.163 0.000 1.061 201 V CA -0.827 61.520 62.300 0.077 0.000 0.913 201 V CB 1.245 33.051 31.823 -0.029 0.000 1.005 201 V HN 0.948 nan 8.190 nan 0.000 0.428 202 F N 1.775 121.748 119.950 0.038 0.000 2.613 202 F HA 0.868 5.390 4.527 -0.008 0.000 0.310 202 F C -0.846 174.999 175.800 0.075 0.000 1.085 202 F CA -1.185 56.836 58.000 0.036 0.000 0.945 202 F CB 1.845 40.854 39.000 0.015 0.000 1.298 202 F HN 0.535 nan 8.300 nan 0.000 0.455 203 N N -0.385 118.420 118.700 0.175 0.000 2.249 203 N HA 0.541 5.277 4.740 -0.008 0.000 0.296 203 N C -1.513 174.097 175.510 0.166 0.000 1.051 203 N CA -0.526 52.585 53.050 0.102 0.000 0.815 203 N CB 1.459 39.944 38.487 -0.003 0.000 1.487 203 N HN 1.076 nan 8.380 nan 0.000 0.475 204 N N 0.543 119.333 118.700 0.150 0.000 2.422 204 N HA 0.535 5.271 4.740 -0.008 0.000 0.264 204 N C 1.470 177.015 175.510 0.058 0.000 1.063 204 N CA -0.361 52.767 53.050 0.130 0.000 0.959 204 N CB 0.583 39.136 38.487 0.110 0.000 1.087 204 N HN 0.796 nan 8.380 nan 0.000 0.483 205 V N 1.071 121.035 119.914 0.084 0.000 2.261 205 V HA -0.160 3.955 4.120 -0.008 0.000 0.246 205 V C 2.699 178.813 176.094 0.033 0.000 1.047 205 V CA 3.145 65.451 62.300 0.010 0.000 1.015 205 V CB -1.505 30.360 31.823 0.071 0.000 0.642 205 V HN 0.969 nan 8.190 nan 0.000 0.446 206 Q N -0.318 119.534 119.800 0.087 0.000 2.508 206 Q HA 0.291 4.626 4.340 -0.008 0.000 0.214 206 Q C 1.300 177.346 176.000 0.077 0.000 0.979 206 Q CA 2.560 58.414 55.803 0.086 0.000 0.911 206 Q CB -1.170 27.628 28.738 0.100 0.000 0.969 206 Q HN 1.256 nan 8.270 nan 0.000 0.504 207 E N -1.738 118.502 120.200 0.068 0.000 2.524 207 E HA 0.744 5.089 4.350 -0.008 0.000 0.219 207 E C -0.400 176.242 176.600 0.070 0.000 0.776 207 E CA -0.032 56.415 56.400 0.079 0.000 0.944 207 E CB 0.168 29.922 29.700 0.091 0.000 1.719 207 E HN 1.157 nan 8.360 nan 0.000 0.384 208 N N -1.753 117.008 118.700 0.102 0.000 2.329 208 N HA 0.649 5.384 4.740 -0.008 0.000 0.282 208 N C -0.486 175.110 175.510 0.142 0.000 1.198 208 N CA -0.032 53.078 53.050 0.100 0.000 0.790 208 N CB 1.689 40.240 38.487 0.108 0.000 1.579 208 N HN 1.073 nan 8.380 nan 0.000 0.475 209 K N -0.005 120.450 120.400 0.091 0.000 2.319 209 K HA 0.649 4.965 4.320 -0.008 0.000 0.237 209 K C 1.320 177.914 176.600 -0.009 0.000 1.113 209 K CA 0.080 56.382 56.287 0.024 0.000 1.072 209 K CB -0.566 31.905 32.500 -0.049 0.000 1.734 209 K HN 2.477 nan 8.250 nan 0.000 0.429 210 G N 0.005 108.821 108.800 0.025 0.000 2.166 210 G HA2 0.082 4.037 3.960 -0.008 0.000 0.260 210 G HA3 0.082 4.037 3.960 -0.008 0.000 0.260 210 G C 0.965 175.903 174.900 0.063 0.000 0.986 210 G CA 0.958 46.076 45.100 0.030 0.000 0.683 210 G HN 2.363 nan 8.290 nan 0.000 0.527 211 A N -2.855 120.016 122.820 0.085 0.000 2.783 211 A HA 0.335 4.651 4.320 -0.008 0.000 0.292 211 A C 1.089 178.745 177.584 0.121 0.000 1.495 211 A CA 2.315 54.417 52.037 0.109 0.000 0.787 211 A CB -1.714 17.346 19.000 0.100 0.000 1.017 211 A HN 2.684 nan 8.150 nan 0.000 0.516 212 S N -1.335 114.436 115.700 0.119 0.000 2.733 212 S HA 0.805 5.271 4.470 -0.008 0.000 0.307 212 S C 0.947 175.635 174.600 0.146 0.000 1.127 212 S CA 0.242 58.529 58.200 0.144 0.000 1.097 212 S CB 0.682 63.953 63.200 0.118 0.000 1.003 212 S HN 1.898 nan 8.310 nan 0.000 0.477 213 I N 0.771 121.431 120.570 0.150 0.000 3.059 213 I HA 0.374 4.540 4.170 -0.008 0.000 0.270 213 I C 1.434 177.475 176.117 -0.127 0.000 1.238 213 I CA 0.845 62.144 61.300 -0.000 0.000 1.478 213 I CB -1.337 36.586 38.000 -0.128 0.000 1.097 213 I HN 0.741 nan 8.210 nan 0.000 0.455 214 F N 0.187 120.161 119.950 0.040 0.000 2.754 214 F HA 0.249 4.771 4.527 -0.008 0.000 0.297 214 F C 1.397 177.222 175.800 0.042 0.000 1.122 214 F CA 0.160 58.183 58.000 0.039 0.000 1.400 214 F CB 0.078 39.101 39.000 0.038 0.000 1.117 214 F HN 0.300 nan 8.300 nan 0.000 0.587 215 N N 0.394 119.210 118.700 0.193 0.000 2.563 215 N HA 0.292 5.028 4.740 -0.008 0.000 0.288 215 N C -0.371 175.189 175.510 0.083 0.000 1.246 215 N CA -0.545 52.580 53.050 0.124 0.000 0.946 215 N CB 1.012 39.562 38.487 0.105 0.000 1.213 215 N HN -0.050 nan 8.380 nan 0.000 0.578 216 R N 0.657 121.198 120.500 0.068 0.000 2.442 216 R HA 0.170 4.506 4.340 -0.008 0.000 0.291 216 R C 0.142 176.448 176.300 0.010 0.000 1.069 216 R CA -0.102 56.029 56.100 0.051 0.000 1.022 216 R CB 0.519 30.869 30.300 0.084 0.000 0.976 216 R HN 0.545 nan 8.270 nan 0.000 0.443 217 R N 0.874 121.372 120.500 -0.003 0.000 2.758 217 R HA 0.780 5.115 4.340 -0.008 0.000 0.265 217 R C -0.138 176.095 176.300 -0.111 0.000 1.016 217 R CA -0.302 55.772 56.100 -0.043 0.000 1.040 217 R CB 1.352 31.665 30.300 0.021 0.000 1.152 217 R HN 0.705 nan 8.270 nan 0.000 0.503 218 G N -0.332 108.364 108.800 -0.172 0.000 2.592 218 G HA2 -0.084 3.871 3.960 -0.008 0.000 0.684 218 G HA3 -0.084 3.871 3.960 -0.008 0.000 0.684 218 G C -1.711 172.907 174.900 -0.470 0.000 1.291 218 G CA -0.658 44.316 45.100 -0.210 0.000 0.891 218 G HN 0.506 nan 8.290 nan 0.000 0.544 219 Y N -0.819 119.086 120.300 -0.659 0.000 2.512 219 Y HA 0.678 5.224 4.550 -0.007 0.000 0.348 219 Y C 0.552 175.984 175.900 -0.781 0.000 0.990 219 Y CA -0.799 56.823 58.100 -0.796 0.000 1.033 219 Y CB 1.825 39.696 38.460 -0.981 0.000 1.259 219 Y HN 0.768 nan 8.280 nan 0.000 0.461 220 F N -1.131 118.596 119.950 -0.371 0.000 2.432 220 F HA 0.824 5.347 4.527 -0.006 0.000 0.329 220 F C 0.134 175.937 175.800 0.005 0.000 1.076 220 F CA -1.143 56.702 58.000 -0.260 0.000 1.018 220 F CB 0.702 39.453 39.000 -0.415 0.000 1.201 220 F HN 0.270 nan 8.300 nan 0.000 0.489 221 S N 0.387 116.294 115.700 0.344 0.000 2.603 221 S HA 0.057 4.523 4.470 -0.008 0.000 0.268 221 S C -0.604 174.272 174.600 0.460 0.000 1.317 221 S CA -0.598 57.831 58.200 0.382 0.000 1.012 221 S CB 0.514 63.901 63.200 0.311 0.000 0.926 221 S HN 0.715 nan 8.310 nan 0.000 0.539 222 D N 2.145 122.799 120.400 0.423 0.000 2.347 222 D HA 0.189 4.824 4.640 -0.008 0.000 0.235 222 D C -1.338 175.153 176.300 0.319 0.000 1.149 222 D CA -2.197 52.101 54.000 0.497 0.000 0.850 222 D CB 1.243 42.279 40.800 0.392 0.000 1.061 222 D HN 0.125 nan 8.370 nan 0.000 0.487 223 P HA -0.204 nan 4.420 nan 0.000 0.218 223 P C 1.037 178.488 177.300 0.252 0.000 1.146 223 P CA 0.919 64.161 63.100 0.237 0.000 0.820 223 P CB 0.270 32.046 31.700 0.128 0.000 0.778 224 A N -0.370 122.568 122.820 0.196 0.000 1.969 224 A HA -0.135 4.181 4.320 -0.008 0.000 0.218 224 A C 2.210 179.781 177.584 -0.023 0.000 1.169 224 A CA 1.292 53.377 52.037 0.081 0.000 0.635 224 A CB -1.437 17.619 19.000 0.093 0.000 0.810 224 A HN 0.205 nan 8.150 nan 0.000 0.445 225 L N -0.152 121.085 121.223 0.024 0.000 2.109 225 L HA 0.026 4.362 4.340 -0.008 0.000 0.207 225 L C 2.144 179.034 176.870 0.033 0.000 1.086 225 L CA 1.420 56.242 54.840 -0.031 0.000 0.760 225 L CB -0.372 41.686 42.059 -0.002 0.000 0.910 225 L HN 0.412 nan 8.230 nan 0.000 0.437 226 I N -0.988 119.656 120.570 0.123 0.000 2.264 226 I HA -0.286 3.879 4.170 -0.008 0.000 0.248 226 I C 2.309 178.553 176.117 0.211 0.000 1.111 226 I CA 1.139 62.554 61.300 0.192 0.000 1.382 226 I CB -0.363 37.802 38.000 0.275 0.000 1.060 226 I HN 0.324 nan 8.210 nan 0.000 0.418 227 L N 0.318 121.600 121.223 0.098 0.000 2.072 227 L HA -0.126 4.209 4.340 -0.008 0.000 0.205 227 L C 2.384 179.127 176.870 -0.211 0.000 1.079 227 L CA 1.744 56.425 54.840 -0.266 0.000 0.752 227 L CB -0.399 41.349 42.059 -0.518 0.000 0.906 227 L HN 0.131 nan 8.230 nan 0.000 0.436 228 M N -1.617 117.877 119.600 -0.177 0.000 2.229 228 M HA -0.218 4.258 4.480 -0.008 0.000 0.264 228 M C 2.252 178.463 176.300 -0.148 0.000 1.063 228 M CA 1.685 56.859 55.300 -0.210 0.000 1.114 228 M CB -0.589 31.860 32.600 -0.250 0.000 1.387 228 M HN 0.464 nan 8.290 nan 0.000 0.420 229 H N 0.663 119.645 119.070 -0.147 0.000 2.321 229 H HA -0.144 4.408 4.556 -0.008 0.000 0.300 229 H C 1.933 177.168 175.328 -0.156 0.000 1.087 229 H CA 1.837 57.800 56.048 -0.142 0.000 1.319 229 H CB 0.291 30.030 29.762 -0.038 0.000 1.379 229 H HN 0.198 nan 8.280 nan 0.000 0.501 230 E N 0.654 120.945 120.200 0.152 0.000 2.110 230 E HA -0.133 4.213 4.350 -0.008 0.000 0.193 230 E C 2.532 179.123 176.600 -0.015 0.000 0.988 230 E CA 0.819 57.317 56.400 0.163 0.000 0.804 230 E CB -0.282 29.507 29.700 0.147 0.000 0.745 230 E HN 0.568 nan 8.360 nan 0.000 0.458 231 L N 0.518 121.660 121.223 -0.135 0.000 2.191 231 L HA -0.126 4.210 4.340 -0.008 0.000 0.212 231 L C 2.423 179.133 176.870 -0.267 0.000 1.103 231 L CA 0.649 55.374 54.840 -0.191 0.000 0.769 231 L CB -0.340 41.559 42.059 -0.266 0.000 0.908 231 L HN 0.093 nan 8.230 nan 0.000 0.438 232 I N -1.294 119.058 120.570 -0.364 0.000 2.353 232 I HA -0.262 3.904 4.170 -0.008 0.000 0.248 232 I C 2.564 178.288 176.117 -0.656 0.000 1.119 232 I CA 0.830 61.796 61.300 -0.558 0.000 1.417 232 I CB -0.452 37.187 38.000 -0.601 0.000 1.078 232 I HN 0.309 nan 8.210 nan 0.000 0.421 233 H N 0.229 119.083 119.070 -0.360 0.000 2.387 233 H HA -0.085 4.466 4.556 -0.007 0.000 0.299 233 H C 2.475 177.737 175.328 -0.109 0.000 1.090 233 H CA 1.378 57.308 56.048 -0.196 0.000 1.332 233 H CB -0.259 29.476 29.762 -0.045 0.000 1.386 233 H HN 0.156 nan 8.280 nan 0.000 0.516 234 V N 1.229 121.155 119.914 0.020 0.000 2.295 234 V HA -0.226 3.889 4.120 -0.008 0.000 0.246 234 V C 2.723 178.828 176.094 0.019 0.000 1.049 234 V CA 1.463 63.783 62.300 0.033 0.000 1.024 234 V CB -0.756 31.073 31.823 0.010 0.000 0.648 234 V HN 0.194 nan 8.190 nan 0.000 0.447 235 L N 0.066 121.229 121.223 -0.099 0.000 2.012 235 L HA -0.243 4.093 4.340 -0.008 0.000 0.210 235 L C 2.396 179.337 176.870 0.118 0.000 1.073 235 L CA 2.230 57.029 54.840 -0.068 0.000 0.748 235 L CB -0.898 40.962 42.059 -0.331 0.000 0.891 235 L HN 0.454 nan 8.230 nan 0.000 0.431 236 H N -1.417 117.667 119.070 0.023 0.000 2.352 236 H HA -0.106 4.445 4.556 -0.008 0.000 0.299 236 H C 2.061 177.475 175.328 0.145 0.000 1.097 236 H CA 0.679 56.764 56.048 0.061 0.000 1.311 236 H CB -0.315 29.471 29.762 0.040 0.000 1.377 236 H HN 0.556 nan 8.280 nan 0.000 0.504 237 G N 0.488 109.443 108.800 0.258 0.000 2.408 237 G HA2 -0.169 3.786 3.960 -0.008 0.000 0.217 237 G HA3 -0.169 3.786 3.960 -0.008 0.000 0.217 237 G C 1.626 176.648 174.900 0.203 0.000 1.150 237 G CA 0.374 45.601 45.100 0.212 0.000 0.776 237 G HN 0.222 nan 8.290 nan 0.000 0.542 238 L N -1.087 120.246 121.223 0.183 0.000 2.141 238 L HA 0.020 4.355 4.340 -0.008 0.000 0.209 238 L C 2.153 179.027 176.870 0.007 0.000 1.094 238 L CA 0.672 55.567 54.840 0.092 0.000 0.763 238 L CB -0.203 41.881 42.059 0.041 0.000 0.908 238 L HN 0.187 nan 8.230 nan 0.000 0.437 239 Y N -0.050 120.302 120.300 0.086 0.000 2.490 239 Y HA 0.191 4.737 4.550 -0.007 0.000 0.281 239 Y C 1.723 177.790 175.900 0.278 0.000 1.174 239 Y CA 0.312 58.476 58.100 0.106 0.000 1.295 239 Y CB -0.111 38.412 38.460 0.105 0.000 1.062 239 Y HN 0.238 nan 8.280 nan 0.000 0.522 240 G N 1.621 110.627 108.800 0.344 0.000 2.198 240 G HA2 -0.310 3.645 3.960 -0.008 0.000 0.260 240 G HA3 -0.310 3.645 3.960 -0.008 0.000 0.260 240 G C 0.690 175.797 174.900 0.345 0.000 1.025 240 G CA 0.707 46.008 45.100 0.335 0.000 0.769 240 G HN 0.662 nan 8.290 nan 0.000 0.507 241 I N -3.017 117.737 120.570 0.306 0.000 3.936 241 I HA 0.516 4.681 4.170 -0.008 0.000 0.330 241 I C 0.966 177.135 176.117 0.087 0.000 1.509 241 I CA -0.277 61.140 61.300 0.195 0.000 1.126 241 I CB 0.492 38.567 38.000 0.125 0.000 1.115 241 I HN 0.039 nan 8.210 nan 0.000 0.424 242 K N 3.245 123.724 120.400 0.131 0.000 3.216 242 K HA 0.202 4.517 4.320 -0.008 0.000 0.277 242 K C 0.358 176.985 176.600 0.045 0.000 1.246 242 K CA -0.259 56.081 56.287 0.088 0.000 1.227 242 K CB -0.145 32.434 32.500 0.132 0.000 1.487 242 K HN 0.486 nan 8.250 nan 0.000 0.341 243 V N -1.528 118.413 119.914 0.045 0.000 3.185 243 V HA 0.216 4.331 4.120 -0.008 0.000 0.305 243 V C 0.004 176.096 176.094 -0.003 0.000 1.090 243 V CA -0.542 61.783 62.300 0.043 0.000 1.107 243 V CB 1.104 32.969 31.823 0.072 0.000 1.061 243 V HN 0.178 nan 8.190 nan 0.000 0.480 244 D N 1.189 121.590 120.400 0.001 0.000 2.228 244 D HA 0.663 5.298 4.640 -0.008 0.000 0.247 244 D C -0.334 175.963 176.300 -0.004 0.000 0.995 244 D CA -0.116 53.870 54.000 -0.023 0.000 0.903 244 D CB 1.625 42.409 40.800 -0.026 0.000 1.205 244 D HN 0.914 nan 8.370 nan 0.000 0.459 245 D N 0.045 120.434 120.400 -0.019 0.000 3.103 245 D HA 0.123 4.758 4.640 -0.008 0.000 0.337 245 D C -1.177 175.113 176.300 -0.018 0.000 1.356 245 D CA -0.552 53.446 54.000 -0.004 0.000 0.951 245 D CB 1.003 41.807 40.800 0.007 0.000 1.438 245 D HN 0.185 nan 8.370 nan 0.000 0.562 246 L N 3.038 124.254 121.223 -0.012 0.000 2.562 246 L HA 0.280 4.615 4.340 -0.008 0.000 0.271 246 L C -2.114 174.726 176.870 -0.051 0.000 1.167 246 L CA -0.201 54.623 54.840 -0.027 0.000 0.917 246 L CB 0.301 42.351 42.059 -0.016 0.000 1.187 246 L HN 0.149 nan 8.230 nan 0.000 0.482 247 P HA 0.285 nan 4.420 nan 0.000 0.283 247 P C -0.936 176.312 177.300 -0.086 0.000 1.271 247 P CA -0.721 62.340 63.100 -0.065 0.000 0.841 247 P CB 1.274 32.946 31.700 -0.047 0.000 1.122 248 I N 1.774 122.316 120.570 -0.048 0.000 2.396 248 I HA 0.139 4.305 4.170 -0.008 0.000 0.289 248 I C 0.505 176.657 176.117 0.059 0.000 1.056 248 I CA -0.399 60.883 61.300 -0.030 0.000 1.365 248 I CB 0.600 38.675 38.000 0.126 0.000 1.407 248 I HN 0.136 nan 8.210 nan 0.000 0.509 249 V N 6.684 126.589 119.914 -0.014 0.000 2.540 249 V HA 0.648 4.763 4.120 -0.008 0.000 0.302 249 V C -2.566 173.496 176.094 -0.054 0.000 1.035 249 V CA -2.138 60.169 62.300 0.011 0.000 0.873 249 V CB 1.709 33.506 31.823 -0.043 0.000 0.992 249 V HN 0.520 nan 8.190 nan 0.000 0.428 250 P HA 0.144 nan 4.420 nan 0.000 0.275 250 P C -0.569 176.567 177.300 -0.272 0.000 1.227 250 P CA -0.081 62.780 63.100 -0.398 0.000 0.781 250 P CB 0.852 32.311 31.700 -0.402 0.000 0.906 251 N N 2.211 120.717 118.700 -0.324 0.000 2.520 251 N HA 0.016 4.751 4.740 -0.008 0.000 0.273 251 N C 0.149 175.488 175.510 -0.286 0.000 1.155 251 N CA 0.282 53.174 53.050 -0.263 0.000 0.967 251 N CB 0.177 38.481 38.487 -0.304 0.000 1.092 251 N HN 0.352 nan 8.380 nan 0.000 0.457 252 E N 1.971 122.033 120.200 -0.230 0.000 2.876 252 E HA 0.111 4.456 4.350 -0.008 0.000 0.208 252 E C 0.255 176.727 176.600 -0.214 0.000 0.981 252 E CA -0.106 56.170 56.400 -0.207 0.000 1.174 252 E CB 0.550 30.180 29.700 -0.118 0.000 1.047 252 E HN 0.558 nan 8.360 nan 0.000 0.477 253 K N 0.739 120.980 120.400 -0.265 0.000 2.432 253 K HA 0.052 4.367 4.320 -0.008 0.000 0.196 253 K C 0.548 176.985 176.600 -0.271 0.000 1.038 253 K CA 0.667 56.822 56.287 -0.220 0.000 0.986 253 K CB 0.317 32.707 32.500 -0.184 0.000 0.782 253 K HN -0.129 nan 8.250 nan 0.000 0.485 254 K N 0.413 120.521 120.400 -0.487 0.000 2.267 254 K HA 0.126 4.442 4.320 -0.008 0.000 0.246 254 K C 0.711 176.950 176.600 -0.602 0.000 0.954 254 K CA -0.573 55.333 56.287 -0.634 0.000 0.824 254 K CB 1.114 32.827 32.500 -1.312 0.000 1.167 254 K HN -0.076 nan 8.250 nan 0.000 0.431 255 F N 0.909 120.649 119.950 -0.350 0.000 2.269 255 F HA -0.153 4.369 4.527 -0.007 0.000 0.301 255 F C 1.308 177.049 175.800 -0.098 0.000 1.082 255 F CA 0.871 58.773 58.000 -0.164 0.000 1.360 255 F CB -0.631 38.354 39.000 -0.025 0.000 1.041 255 F HN 0.448 nan 8.300 nan 0.000 0.512 256 F N -0.189 119.280 119.950 -0.802 0.000 2.780 256 F HA 0.380 4.903 4.527 -0.007 0.000 0.299 256 F C 0.609 176.430 175.800 0.035 0.000 1.146 256 F CA -1.092 56.718 58.000 -0.317 0.000 1.428 256 F CB -1.271 37.517 39.000 -0.352 0.000 1.115 256 F HN -0.115 nan 8.300 nan 0.000 0.583 257 M N 2.035 121.428 119.600 -0.344 0.000 2.211 257 M HA 0.152 4.628 4.480 -0.008 0.000 0.356 257 M C 0.199 176.484 176.300 -0.025 0.000 1.216 257 M CA -0.105 55.103 55.300 -0.154 0.000 1.134 257 M CB 1.135 33.481 32.600 -0.423 0.000 1.564 257 M HN 0.208 nan 8.290 nan 0.000 0.463 258 Q N 1.812 121.658 119.800 0.076 0.000 2.304 258 Q HA 0.216 4.551 4.340 -0.008 0.000 0.260 258 Q C -1.052 175.000 176.000 0.086 0.000 0.965 258 Q CA -0.097 55.785 55.803 0.130 0.000 0.898 258 Q CB 0.928 29.821 28.738 0.258 0.000 1.196 258 Q HN 0.682 nan 8.270 nan 0.000 0.402 259 S N 2.778 118.554 115.700 0.126 0.000 2.462 259 S HA 0.554 5.020 4.470 -0.008 0.000 0.294 259 S C -0.595 174.085 174.600 0.132 0.000 1.144 259 S CA -0.402 57.856 58.200 0.098 0.000 1.088 259 S CB 1.716 64.973 63.200 0.096 0.000 1.009 259 S HN 0.726 nan 8.310 nan 0.000 0.484 260 T N 1.635 116.270 114.554 0.134 0.000 2.769 260 T HA 0.286 4.631 4.350 -0.008 0.000 0.306 260 T C -1.776 172.997 174.700 0.122 0.000 1.400 260 T CA -0.792 61.396 62.100 0.147 0.000 1.007 260 T CB 0.932 69.957 68.868 0.261 0.000 1.392 260 T HN 0.445 nan 8.240 nan 0.000 0.500 261 D N 1.527 121.987 120.400 0.100 0.000 2.357 261 D HA 0.482 5.118 4.640 -0.008 0.000 0.242 261 D C 0.413 176.773 176.300 0.101 0.000 1.153 261 D CA 0.009 54.054 54.000 0.075 0.000 0.918 261 D CB 0.870 41.703 40.800 0.055 0.000 1.181 261 D HN 0.786 nan 8.370 nan 0.000 0.435 262 A N 1.300 124.156 122.820 0.061 0.000 2.498 262 A HA 0.264 4.579 4.320 -0.008 0.000 0.239 262 A C 0.249 177.852 177.584 0.031 0.000 1.068 262 A CA 0.038 52.106 52.037 0.053 0.000 0.766 262 A CB -0.101 18.906 19.000 0.012 0.000 1.003 262 A HN 0.490 nan 8.150 nan 0.000 0.497 263 I N 2.493 123.078 120.570 0.024 0.000 2.355 263 I HA 0.187 4.352 4.170 -0.008 0.000 0.288 263 I C 0.055 176.111 176.117 -0.102 0.000 0.999 263 I CA -0.477 60.776 61.300 -0.078 0.000 1.163 263 I CB 1.427 39.337 38.000 -0.150 0.000 1.316 263 I HN 0.587 nan 8.210 nan 0.000 0.454 264 Q N 3.503 123.227 119.800 -0.126 0.000 2.340 264 Q HA 0.296 4.631 4.340 -0.008 0.000 0.249 264 Q C 1.055 176.941 176.000 -0.190 0.000 0.957 264 Q CA -0.088 55.637 55.803 -0.131 0.000 0.882 264 Q CB 1.677 30.348 28.738 -0.111 0.000 1.235 264 Q HN 0.853 nan 8.270 nan 0.000 0.439 265 A N 2.234 124.908 122.820 -0.243 0.000 1.978 265 A HA -0.209 4.107 4.320 -0.008 0.000 0.220 265 A C 1.724 178.960 177.584 -0.580 0.000 1.170 265 A CA 1.636 53.400 52.037 -0.455 0.000 0.636 265 A CB -0.217 18.429 19.000 -0.589 0.000 0.810 265 A HN 0.795 nan 8.150 nan 0.000 0.448 266 E N 0.006 119.998 120.200 -0.346 0.000 2.209 266 E HA -0.244 4.101 4.350 -0.008 0.000 0.196 266 E C 1.866 178.496 176.600 0.049 0.000 0.993 266 E CA 1.658 57.970 56.400 -0.147 0.000 0.819 266 E CB -0.043 29.634 29.700 -0.038 0.000 0.745 266 E HN 0.689 nan 8.360 nan 0.000 0.477 267 E N 0.515 120.716 120.200 0.002 0.000 2.051 267 E HA -0.070 4.275 4.350 -0.008 0.000 0.189 267 E C 2.314 178.934 176.600 0.035 0.000 0.979 267 E CA 0.917 57.364 56.400 0.078 0.000 0.803 267 E CB -0.408 29.236 29.700 -0.093 0.000 0.761 267 E HN 0.276 nan 8.360 nan 0.000 0.451 268 L N -0.111 121.071 121.223 -0.069 0.000 2.141 268 L HA -0.153 4.182 4.340 -0.008 0.000 0.209 268 L C 2.271 179.325 176.870 0.307 0.000 1.094 268 L CA 0.891 55.770 54.840 0.067 0.000 0.763 268 L CB -0.599 41.488 42.059 0.047 0.000 0.908 268 L HN 0.221 nan 8.230 nan 0.000 0.437 269 Y N 0.566 120.931 120.300 0.108 0.000 2.163 269 Y HA -0.182 4.364 4.550 -0.008 0.000 0.288 269 Y C 2.942 178.887 175.900 0.074 0.000 1.136 269 Y CA 1.116 59.281 58.100 0.108 0.000 1.147 269 Y CB -1.391 37.056 38.460 -0.021 0.000 0.987 269 Y HN 0.146 nan 8.280 nan 0.000 0.509 270 T N 0.480 115.160 114.554 0.211 0.000 2.759 270 T HA -0.222 4.124 4.350 -0.008 0.000 0.269 270 T C 1.750 176.408 174.700 -0.070 0.000 1.042 270 T CA 1.487 63.556 62.100 -0.052 0.000 1.140 270 T CB -0.648 67.976 68.868 -0.407 0.000 0.864 270 T HN 0.274 nan 8.240 nan 0.000 0.455 271 F N 1.219 121.173 119.950 0.007 0.000 2.163 271 F HA 0.284 4.806 4.527 -0.009 0.000 0.297 271 F C 1.610 177.451 175.800 0.069 0.000 1.094 271 F CA 1.151 59.201 58.000 0.083 0.000 1.290 271 F CB -0.506 38.585 39.000 0.152 0.000 1.017 271 F HN 0.380 nan 8.300 nan 0.000 0.483 272 G N -0.284 108.645 108.800 0.214 0.000 2.542 272 G HA2 0.213 4.168 3.960 -0.008 0.000 0.235 272 G HA3 0.213 4.168 3.960 -0.008 0.000 0.235 272 G C 0.720 175.746 174.900 0.211 0.000 1.286 272 G CA -0.031 45.150 45.100 0.136 0.000 0.904 272 G HN 1.503 nan 8.290 nan 0.000 0.577 273 G N -0.965 107.896 108.800 0.102 0.000 2.583 273 G HA2 -0.084 3.872 3.960 -0.008 0.000 0.292 273 G HA3 -0.084 3.872 3.960 -0.008 0.000 0.292 273 G C 1.314 176.318 174.900 0.174 0.000 1.203 273 G CA 2.428 47.607 45.100 0.131 0.000 0.987 273 G HN 2.371 nan 8.290 nan 0.000 0.554 274 Q N -0.289 119.631 119.800 0.200 0.000 2.331 274 Q HA 0.126 4.461 4.340 -0.008 0.000 0.203 274 Q C 1.703 177.827 176.000 0.205 0.000 0.944 274 Q CA 1.639 57.546 55.803 0.173 0.000 0.892 274 Q CB -0.024 28.795 28.738 0.134 0.000 0.983 274 Q HN 0.558 nan 8.270 nan 0.000 0.482 275 D N 2.013 122.574 120.400 0.269 0.000 2.149 275 D HA -0.114 4.521 4.640 -0.008 0.000 0.198 275 D C -0.738 175.734 176.300 0.286 0.000 0.990 275 D CA 1.013 55.182 54.000 0.281 0.000 0.839 275 D CB -1.382 39.595 40.800 0.295 0.000 0.948 275 D HN 0.365 nan 8.370 nan 0.000 0.460 276 P HA -0.007 nan 4.420 nan 0.000 0.222 276 P C 1.104 178.588 177.300 0.307 0.000 1.147 276 P CA 0.966 64.301 63.100 0.392 0.000 0.790 276 P CB 0.083 31.991 31.700 0.348 0.000 0.780 277 S N -1.117 114.725 115.700 0.238 0.000 2.515 277 S HA 0.025 4.490 4.470 -0.008 0.000 0.231 277 S C 1.592 176.318 174.600 0.210 0.000 0.987 277 S CA 0.642 58.973 58.200 0.219 0.000 0.936 277 S CB -0.785 62.537 63.200 0.203 0.000 0.766 277 S HN 0.210 nan 8.310 nan 0.000 0.528 278 I N 1.012 121.706 120.570 0.206 0.000 3.251 278 I HA 0.049 4.214 4.170 -0.008 0.000 0.277 278 I C -0.253 176.003 176.117 0.231 0.000 1.268 278 I CA 0.421 61.837 61.300 0.193 0.000 1.449 278 I CB 0.158 38.246 38.000 0.147 0.000 1.083 278 I HN 0.160 nan 8.210 nan 0.000 0.464 279 I N 2.222 122.933 120.570 0.236 0.000 2.297 279 I HA 0.075 4.241 4.170 -0.008 0.000 0.291 279 I C 0.989 177.251 176.117 0.242 0.000 1.033 279 I CA -0.192 61.242 61.300 0.224 0.000 1.253 279 I CB 0.478 38.623 38.000 0.241 0.000 1.396 279 I HN 0.101 nan 8.210 nan 0.000 0.476 280 T N 4.834 119.523 114.554 0.223 0.000 2.906 280 T HA 0.115 4.461 4.350 -0.008 0.000 0.320 280 T C -1.721 173.085 174.700 0.177 0.000 1.088 280 T CA -0.840 61.371 62.100 0.185 0.000 1.120 280 T CB 0.604 69.572 68.868 0.167 0.000 1.000 280 T HN 0.326 nan 8.240 nan 0.000 0.550 281 P HA -0.063 nan 4.420 nan 0.000 0.218 281 P C 1.782 179.143 177.300 0.102 0.000 1.148 281 P CA 0.968 64.154 63.100 0.143 0.000 0.822 281 P CB -0.068 31.717 31.700 0.141 0.000 0.784 282 S N -1.052 114.697 115.700 0.081 0.000 2.353 282 S HA -0.145 4.320 4.470 -0.008 0.000 0.222 282 S C 1.909 176.562 174.600 0.088 0.000 1.035 282 S CA 1.970 60.205 58.200 0.059 0.000 1.025 282 S CB -1.464 61.766 63.200 0.049 0.000 0.902 282 S HN 0.265 nan 8.310 nan 0.000 0.440 283 T N 2.037 116.661 114.554 0.116 0.000 2.904 283 T HA -0.059 4.286 4.350 -0.008 0.000 0.267 283 T C 1.346 176.156 174.700 0.183 0.000 1.059 283 T CA 1.024 63.199 62.100 0.125 0.000 1.137 283 T CB -0.414 68.520 68.868 0.110 0.000 0.879 283 T HN 0.271 nan 8.240 nan 0.000 0.467 284 D N 1.482 122.025 120.400 0.237 0.000 2.104 284 D HA -0.064 4.572 4.640 -0.008 0.000 0.194 284 D C 2.149 178.619 176.300 0.284 0.000 0.994 284 D CA 1.136 55.349 54.000 0.354 0.000 0.830 284 D CB -0.094 40.900 40.800 0.324 0.000 0.959 284 D HN 0.370 nan 8.370 nan 0.000 0.452 285 K N 0.351 120.848 120.400 0.163 0.000 2.155 285 K HA -0.039 4.277 4.320 -0.008 0.000 0.203 285 K C 2.204 178.895 176.600 0.150 0.000 1.052 285 K CA 0.616 56.970 56.287 0.112 0.000 0.948 285 K CB -0.056 32.457 32.500 0.021 0.000 0.728 285 K HN -0.062 nan 8.250 nan 0.000 0.448 286 S N 1.365 117.143 115.700 0.130 0.000 2.356 286 S HA -0.113 4.353 4.470 -0.008 0.000 0.223 286 S C 1.955 176.633 174.600 0.131 0.000 1.032 286 S CA 0.973 59.237 58.200 0.107 0.000 1.005 286 S CB -0.176 63.075 63.200 0.084 0.000 0.867 286 S HN 0.186 nan 8.310 nan 0.000 0.449 287 I N 0.084 120.760 120.570 0.177 0.000 2.226 287 I HA -0.159 4.006 4.170 -0.008 0.000 0.245 287 I C 2.292 178.541 176.117 0.220 0.000 1.100 287 I CA 1.750 63.173 61.300 0.204 0.000 1.374 287 I CB -0.553 37.615 38.000 0.280 0.000 1.057 287 I HN 0.403 nan 8.210 nan 0.000 0.413 288 Y N 2.074 122.412 120.300 0.063 0.000 2.128 288 Y HA -0.337 4.209 4.550 -0.007 0.000 0.284 288 Y C 2.240 178.079 175.900 -0.102 0.000 1.154 288 Y CA 1.982 59.966 58.100 -0.193 0.000 1.149 288 Y CB -0.251 38.074 38.460 -0.225 0.000 0.976 288 Y HN 0.203 nan 8.280 nan 0.000 0.505 289 D N -0.024 120.458 120.400 0.136 0.000 2.144 289 D HA -0.154 4.482 4.640 -0.008 0.000 0.199 289 D C 1.998 178.275 176.300 -0.039 0.000 0.984 289 D CA 1.411 55.429 54.000 0.030 0.000 0.834 289 D CB -0.193 40.647 40.800 0.066 0.000 0.955 289 D HN 0.416 nan 8.370 nan 0.000 0.465 290 K N 0.281 120.687 120.400 0.010 0.000 2.057 290 K HA -0.057 4.259 4.320 -0.008 0.000 0.206 290 K C 2.182 178.780 176.600 -0.004 0.000 1.050 290 K CA 0.574 56.870 56.287 0.016 0.000 0.935 290 K CB -0.021 32.512 32.500 0.056 0.000 0.715 290 K HN -0.016 nan 8.250 nan 0.000 0.439 291 V N 1.656 121.562 119.914 -0.014 0.000 2.358 291 V HA -0.226 3.889 4.120 -0.008 0.000 0.246 291 V C 2.170 178.162 176.094 -0.170 0.000 1.047 291 V CA 1.347 63.625 62.300 -0.036 0.000 1.035 291 V CB -0.401 31.428 31.823 0.009 0.000 0.658 291 V HN 0.266 nan 8.190 nan 0.000 0.452 292 L N 0.422 121.468 121.223 -0.295 0.000 2.046 292 L HA -0.187 4.148 4.340 -0.008 0.000 0.208 292 L C 2.425 179.113 176.870 -0.303 0.000 1.077 292 L CA 2.254 56.730 54.840 -0.606 0.000 0.747 292 L CB -0.977 40.602 42.059 -0.800 0.000 0.896 292 L HN 0.377 nan 8.230 nan 0.000 0.432 293 Q N -0.243 119.450 119.800 -0.178 0.000 2.170 293 Q HA -0.194 4.141 4.340 -0.008 0.000 0.203 293 Q C 1.963 177.927 176.000 -0.061 0.000 0.976 293 Q CA 1.829 57.569 55.803 -0.106 0.000 0.858 293 Q CB -0.385 28.314 28.738 -0.065 0.000 0.907 293 Q HN 0.585 nan 8.270 nan 0.000 0.433 294 N N -0.749 117.949 118.700 -0.003 0.000 2.142 294 N HA -0.091 4.645 4.740 -0.008 0.000 0.186 294 N C 1.204 176.757 175.510 0.072 0.000 1.023 294 N CA 0.962 54.029 53.050 0.029 0.000 0.852 294 N CB -0.336 38.224 38.487 0.122 0.000 0.998 294 N HN 0.242 nan 8.380 nan 0.000 0.424 295 F N 1.736 121.604 119.950 -0.136 0.000 2.234 295 F HA 0.055 4.578 4.527 -0.007 0.000 0.299 295 F C 2.245 177.925 175.800 -0.200 0.000 1.087 295 F CA 0.544 58.483 58.000 -0.100 0.000 1.340 295 F CB -0.393 38.694 39.000 0.145 0.000 1.031 295 F HN -0.015 nan 8.300 nan 0.000 0.500 296 R N -0.357 120.113 120.500 -0.051 0.000 2.096 296 R HA -0.106 4.230 4.340 -0.008 0.000 0.235 296 R C 2.545 178.717 176.300 -0.213 0.000 1.127 296 R CA 1.191 57.189 56.100 -0.169 0.000 0.968 296 R CB -1.083 29.126 30.300 -0.152 0.000 0.861 296 R HN 0.363 nan 8.270 nan 0.000 0.440 297 G N 1.271 109.947 108.800 -0.206 0.000 2.408 297 G HA2 -0.175 3.780 3.960 -0.008 0.000 0.217 297 G HA3 -0.175 3.780 3.960 -0.008 0.000 0.217 297 G C 1.373 176.065 174.900 -0.347 0.000 1.150 297 G CA 0.295 45.250 45.100 -0.242 0.000 0.776 297 G HN 0.062 nan 8.290 nan 0.000 0.542 298 I N 0.721 121.010 120.570 -0.468 0.000 2.252 298 I HA -0.060 4.105 4.170 -0.008 0.000 0.245 298 I C 2.833 178.713 176.117 -0.395 0.000 1.102 298 I CA 0.624 61.568 61.300 -0.593 0.000 1.385 298 I CB -1.131 36.349 38.000 -0.867 0.000 1.064 298 I HN 0.098 nan 8.210 nan 0.000 0.414 299 V N 1.385 120.993 119.914 -0.509 0.000 2.490 299 V HA -0.290 3.825 4.120 -0.008 0.000 0.250 299 V C 2.203 178.102 176.094 -0.325 0.000 1.061 299 V CA 2.415 64.289 62.300 -0.709 0.000 1.064 299 V CB -0.383 30.760 31.823 -1.132 0.000 0.670 299 V HN 0.369 nan 8.190 nan 0.000 0.461 300 D N -0.301 119.946 120.400 -0.255 0.000 2.117 300 D HA -0.170 4.466 4.640 -0.008 0.000 0.198 300 D C 2.338 178.579 176.300 -0.099 0.000 0.982 300 D CA 1.442 55.354 54.000 -0.147 0.000 0.828 300 D CB -0.150 40.570 40.800 -0.134 0.000 0.967 300 D HN 0.403 nan 8.370 nan 0.000 0.464 301 R N -0.318 120.106 120.500 -0.128 0.000 2.081 301 R HA -0.031 4.305 4.340 -0.008 0.000 0.235 301 R C 2.457 178.764 176.300 0.013 0.000 1.131 301 R CA 0.839 56.904 56.100 -0.059 0.000 0.960 301 R CB -0.301 29.936 30.300 -0.105 0.000 0.856 301 R HN 0.295 nan 8.270 nan 0.000 0.436 302 L N 0.840 122.072 121.223 0.015 0.000 2.191 302 L HA -0.163 4.172 4.340 -0.008 0.000 0.212 302 L C 1.571 178.530 176.870 0.148 0.000 1.103 302 L CA 0.945 55.820 54.840 0.059 0.000 0.769 302 L CB -0.416 41.558 42.059 -0.142 0.000 0.908 302 L HN 0.278 nan 8.230 nan 0.000 0.438 303 N N 0.100 118.879 118.700 0.132 0.000 2.416 303 N HA -0.074 4.661 4.740 -0.008 0.000 0.177 303 N C 1.470 177.020 175.510 0.067 0.000 1.036 303 N CA 0.870 54.013 53.050 0.155 0.000 0.901 303 N CB 0.256 38.796 38.487 0.088 0.000 0.976 303 N HN 0.404 nan 8.380 nan 0.000 0.444 304 K N 0.064 120.477 120.400 0.021 0.000 2.367 304 K HA 0.150 4.466 4.320 -0.008 0.000 0.195 304 K C 0.347 176.918 176.600 -0.047 0.000 1.060 304 K CA -0.127 56.153 56.287 -0.011 0.000 1.022 304 K CB 1.067 33.555 32.500 -0.021 0.000 0.894 304 K HN -0.136 nan 8.250 nan 0.000 0.540 305 V N 2.391 122.250 119.914 -0.090 0.000 2.617 305 V HA -0.042 4.073 4.120 -0.008 0.000 0.304 305 V C 0.631 176.616 176.094 -0.182 0.000 1.040 305 V CA 0.654 62.811 62.300 -0.238 0.000 1.149 305 V CB 0.365 31.851 31.823 -0.561 0.000 0.914 305 V HN 0.225 nan 8.190 nan 0.000 0.487 306 L N 6.590 127.713 121.223 -0.166 0.000 2.730 306 L HA 0.370 4.706 4.340 -0.008 0.000 0.236 306 L C 0.171 176.998 176.870 -0.072 0.000 1.061 306 L CA 0.577 55.365 54.840 -0.086 0.000 0.898 306 L CB 0.781 42.811 42.059 -0.047 0.000 1.270 306 L HN 0.654 nan 8.230 nan 0.000 0.500 307 V N -4.328 115.531 119.914 -0.092 0.000 3.202 307 V HA 0.524 4.640 4.120 -0.008 0.000 0.306 307 V C -1.512 174.584 176.094 0.003 0.000 1.283 307 V CA -1.342 60.942 62.300 -0.027 0.000 1.065 307 V CB 2.190 34.010 31.823 -0.004 0.000 1.079 307 V HN 0.041 nan 8.190 nan 0.000 0.448 308 C N 3.642 122.983 119.300 0.068 0.000 2.356 308 C HA 0.654 5.110 4.460 -0.008 0.000 0.324 308 C C 1.448 176.473 174.990 0.058 0.000 1.167 308 C CA -0.291 58.793 59.018 0.109 0.000 1.420 308 C CB -0.153 27.673 27.740 0.144 0.000 2.036 308 C HN 1.010 nan 8.230 nan 0.000 0.435 309 I N 4.269 124.864 120.570 0.042 0.000 2.500 309 I HA 0.027 4.192 4.170 -0.008 0.000 0.252 309 I C 1.971 178.097 176.117 0.016 0.000 1.142 309 I CA 2.048 63.361 61.300 0.023 0.000 1.451 309 I CB -1.645 36.363 38.000 0.013 0.000 1.093 309 I HN 0.701 nan 8.210 nan 0.000 0.430 310 S N 0.470 116.181 115.700 0.018 0.000 2.423 310 S HA -0.120 4.345 4.470 -0.008 0.000 0.231 310 S C 0.754 175.354 174.600 0.001 0.000 1.014 310 S CA 0.844 59.046 58.200 0.002 0.000 0.965 310 S CB -0.425 62.774 63.200 -0.001 0.000 0.785 310 S HN 0.622 nan 8.310 nan 0.000 0.495 311 D N 0.894 121.305 120.400 0.018 0.000 2.336 311 D HA 0.423 5.058 4.640 -0.008 0.000 0.248 311 D C -2.565 173.754 176.300 0.032 0.000 1.326 311 D CA -2.195 51.817 54.000 0.020 0.000 0.973 311 D CB 1.786 42.606 40.800 0.033 0.000 1.255 311 D HN -0.143 nan 8.370 nan 0.000 0.558 312 P HA -0.040 nan 4.420 nan 0.000 0.219 312 P C 0.538 177.862 177.300 0.041 0.000 1.146 312 P CA 0.984 64.103 63.100 0.031 0.000 0.808 312 P CB 0.261 31.974 31.700 0.022 0.000 0.779 313 N N -1.227 117.499 118.700 0.043 0.000 2.494 313 N HA -0.016 4.719 4.740 -0.008 0.000 0.182 313 N C 0.164 175.722 175.510 0.080 0.000 1.076 313 N CA 0.021 53.104 53.050 0.055 0.000 0.908 313 N CB -0.192 38.325 38.487 0.050 0.000 0.967 313 N HN 0.048 nan 8.380 nan 0.000 0.449 314 I N 1.970 122.587 120.570 0.078 0.000 2.587 314 I HA -0.071 4.095 4.170 -0.008 0.000 0.284 314 I C 0.440 176.628 176.117 0.118 0.000 1.134 314 I CA 0.144 61.493 61.300 0.083 0.000 1.410 314 I CB -0.322 37.662 38.000 -0.027 0.000 1.392 314 I HN 0.187 nan 8.210 nan 0.000 0.545 315 N N 7.806 126.609 118.700 0.172 0.000 2.402 315 N HA 0.056 4.792 4.740 -0.008 0.000 0.252 315 N C 1.018 176.672 175.510 0.239 0.000 1.118 315 N CA -0.402 52.748 53.050 0.166 0.000 0.945 315 N CB 0.852 39.418 38.487 0.133 0.000 1.147 315 N HN 0.338 nan 8.380 nan 0.000 0.495 316 I N 2.921 123.624 120.570 0.222 0.000 2.194 316 I HA -0.292 3.873 4.170 -0.008 0.000 0.246 316 I C 1.630 177.926 176.117 0.299 0.000 1.093 316 I CA 0.956 62.439 61.300 0.305 0.000 1.355 316 I CB -0.882 37.232 38.000 0.189 0.000 1.046 316 I HN 0.543 nan 8.210 nan 0.000 0.413 317 N N 0.945 119.764 118.700 0.198 0.000 2.142 317 N HA -0.118 4.617 4.740 -0.008 0.000 0.186 317 N C 1.926 177.515 175.510 0.132 0.000 1.023 317 N CA 1.061 54.210 53.050 0.165 0.000 0.852 317 N CB -0.163 38.393 38.487 0.115 0.000 0.998 317 N HN 0.247 nan 8.380 nan 0.000 0.424 318 I N 0.551 121.178 120.570 0.095 0.000 2.208 318 I HA -0.267 3.899 4.170 -0.008 0.000 0.245 318 I C 1.867 177.886 176.117 -0.165 0.000 1.097 318 I CA 1.284 62.562 61.300 -0.036 0.000 1.363 318 I CB -1.058 36.901 38.000 -0.068 0.000 1.051 318 I HN 0.099 nan 8.210 nan 0.000 0.413 319 Y N 1.133 121.346 120.300 -0.144 0.000 2.263 319 Y HA -0.136 4.410 4.550 -0.008 0.000 0.292 319 Y C 2.594 178.370 175.900 -0.206 0.000 1.130 319 Y CA 1.254 59.128 58.100 -0.375 0.000 1.179 319 Y CB -0.334 37.838 38.460 -0.479 0.000 0.998 319 Y HN 0.101 nan 8.280 nan 0.000 0.532 320 K N -0.055 120.503 120.400 0.263 0.000 2.057 320 K HA -0.165 4.151 4.320 -0.008 0.000 0.207 320 K C 1.660 178.348 176.600 0.147 0.000 1.049 320 K CA 1.429 57.887 56.287 0.286 0.000 0.931 320 K CB -0.150 32.543 32.500 0.323 0.000 0.714 320 K HN 0.284 nan 8.250 nan 0.000 0.440 321 N N 1.114 119.875 118.700 0.101 0.000 2.166 321 N HA -0.162 4.573 4.740 -0.008 0.000 0.186 321 N C 1.651 177.143 175.510 -0.029 0.000 1.019 321 N CA 1.148 54.243 53.050 0.075 0.000 0.856 321 N CB -0.116 38.393 38.487 0.037 0.000 0.993 321 N HN 0.041 nan 8.380 nan 0.000 0.426 322 K N 0.718 121.000 120.400 -0.197 0.000 2.057 322 K HA 0.091 4.406 4.320 -0.008 0.000 0.206 322 K C 1.802 178.261 176.600 -0.234 0.000 1.050 322 K CA 1.018 57.109 56.287 -0.327 0.000 0.935 322 K CB -0.484 31.633 32.500 -0.639 0.000 0.715 322 K HN 0.147 nan 8.250 nan 0.000 0.439 323 F N 0.922 120.859 119.950 -0.021 0.000 2.234 323 F HA -0.075 4.448 4.527 -0.008 0.000 0.299 323 F C 2.297 178.112 175.800 0.025 0.000 1.087 323 F CA 0.731 58.765 58.000 0.056 0.000 1.340 323 F CB -0.051 39.105 39.000 0.259 0.000 1.031 323 F HN 0.065 nan 8.300 nan 0.000 0.500 324 K N 0.834 121.337 120.400 0.172 0.000 2.026 324 K HA -0.262 4.054 4.320 -0.008 0.000 0.208 324 K C 1.614 178.250 176.600 0.060 0.000 1.048 324 K CA 2.279 58.654 56.287 0.146 0.000 0.929 324 K CB -0.355 32.281 32.500 0.227 0.000 0.713 324 K HN 0.185 nan 8.250 nan 0.000 0.439 325 D N 0.368 120.789 120.400 0.036 0.000 2.149 325 D HA -0.142 4.493 4.640 -0.008 0.000 0.201 325 D C 1.999 178.271 176.300 -0.048 0.000 0.972 325 D CA 1.151 55.156 54.000 0.009 0.000 0.835 325 D CB 0.111 40.908 40.800 -0.004 0.000 0.966 325 D HN 0.199 nan 8.370 nan 0.000 0.476 326 K N -0.712 119.613 120.400 -0.124 0.000 2.020 326 K HA -0.214 4.102 4.320 -0.008 0.000 0.212 326 K C 1.326 177.743 176.600 -0.305 0.000 1.050 326 K CA 1.405 57.536 56.287 -0.260 0.000 0.929 326 K CB -0.301 31.904 32.500 -0.492 0.000 0.714 326 K HN 0.302 nan 8.250 nan 0.000 0.443 327 Y N 0.832 120.926 120.300 -0.342 0.000 2.490 327 Y HA 0.149 4.694 4.550 -0.008 0.000 0.281 327 Y C -0.035 175.632 175.900 -0.388 0.000 1.174 327 Y CA -0.180 57.579 58.100 -0.569 0.000 1.295 327 Y CB 0.534 38.092 38.460 -1.504 0.000 1.062 327 Y HN -0.014 nan 8.280 nan 0.000 0.522 328 K N 0.196 120.545 120.400 -0.085 0.000 3.148 328 K HA -0.216 4.099 4.320 -0.008 0.000 0.267 328 K C -0.638 176.109 176.600 0.245 0.000 0.996 328 K CA 0.591 56.936 56.287 0.097 0.000 0.737 328 K CB -2.366 30.234 32.500 0.166 0.000 1.308 328 K HN 0.426 nan 8.250 nan 0.000 0.470 329 F N -0.396 119.709 119.950 0.259 0.000 2.378 329 F HA 0.300 4.822 4.527 -0.008 0.000 0.319 329 F C 1.641 177.585 175.800 0.240 0.000 1.155 329 F CA -1.204 56.941 58.000 0.243 0.000 1.157 329 F CB 0.773 39.903 39.000 0.216 0.000 1.252 329 F HN -0.070 nan 8.300 nan 0.000 0.550 330 V N -0.655 119.520 119.914 0.435 0.000 2.769 330 V HA 0.571 4.687 4.120 -0.008 0.000 0.312 330 V C -0.853 175.401 176.094 0.266 0.000 1.058 330 V CA -0.770 61.704 62.300 0.290 0.000 0.952 330 V CB 1.690 33.632 31.823 0.198 0.000 1.019 330 V HN 0.855 nan 8.190 nan 0.000 0.445 331 E N 2.134 122.436 120.200 0.170 0.000 2.246 331 E HA 0.411 4.756 4.350 -0.008 0.000 0.266 331 E C -1.123 175.464 176.600 -0.022 0.000 0.880 331 E CA -0.681 55.725 56.400 0.010 0.000 0.762 331 E CB 1.910 31.586 29.700 -0.039 0.000 1.180 331 E HN 0.974 nan 8.360 nan 0.000 0.416 332 D N 2.239 122.602 120.400 -0.062 0.000 2.393 332 D HA -0.033 4.603 4.640 -0.008 0.000 0.246 332 D C 1.004 177.275 176.300 -0.048 0.000 1.275 332 D CA -0.002 53.976 54.000 -0.037 0.000 0.979 332 D CB 0.639 41.418 40.800 -0.035 0.000 1.101 332 D HN 0.358 nan 8.370 nan 0.000 0.505 333 S N -1.545 114.139 115.700 -0.026 0.000 2.537 333 S HA -0.157 4.309 4.470 -0.008 0.000 0.240 333 S C 0.934 175.514 174.600 -0.034 0.000 0.981 333 S CA 0.660 58.847 58.200 -0.022 0.000 0.948 333 S CB -0.599 62.595 63.200 -0.009 0.000 0.759 333 S HN 0.606 nan 8.310 nan 0.000 0.531 334 E N 0.227 120.395 120.200 -0.054 0.000 2.489 334 E HA 0.318 4.663 4.350 -0.008 0.000 0.204 334 E C 1.081 177.623 176.600 -0.096 0.000 1.006 334 E CA 0.185 56.550 56.400 -0.058 0.000 0.936 334 E CB 0.467 30.138 29.700 -0.047 0.000 1.002 334 E HN 0.630 nan 8.360 nan 0.000 0.488 335 G N 2.548 111.252 108.800 -0.161 0.000 2.144 335 G HA2 -0.256 3.700 3.960 -0.008 0.000 0.218 335 G HA3 -0.256 3.700 3.960 -0.008 0.000 0.218 335 G C 0.165 174.774 174.900 -0.484 0.000 0.988 335 G CA 0.073 44.993 45.100 -0.299 0.000 0.659 335 G HN 0.064 nan 8.290 nan 0.000 0.522 336 K N 0.859 121.070 120.400 -0.314 0.000 2.258 336 K HA 0.614 4.930 4.320 -0.008 0.000 0.284 336 K C -0.108 176.335 176.600 -0.261 0.000 1.051 336 K CA -0.604 55.541 56.287 -0.237 0.000 0.923 336 K CB -0.011 32.429 32.500 -0.101 0.000 1.046 336 K HN 0.239 nan 8.250 nan 0.000 0.474 337 Y N 1.751 122.055 120.300 0.006 0.000 2.352 337 Y HA 0.424 4.969 4.550 -0.008 0.000 0.326 337 Y C 0.703 176.544 175.900 -0.097 0.000 1.166 337 Y CA -0.203 57.894 58.100 -0.004 0.000 1.182 337 Y CB 1.756 40.224 38.460 0.013 0.000 1.216 337 Y HN 0.730 nan 8.280 nan 0.000 0.474 338 S N 1.127 116.869 115.700 0.070 0.000 2.625 338 S HA 0.641 5.106 4.470 -0.008 0.000 0.271 338 S C -1.328 173.257 174.600 -0.025 0.000 1.161 338 S CA -1.047 57.124 58.200 -0.049 0.000 0.820 338 S CB 1.017 64.216 63.200 -0.002 0.000 1.137 338 S HN 0.532 nan 8.310 nan 0.000 0.470 339 I N 1.931 122.470 120.570 -0.052 0.000 2.395 339 I HA 0.289 4.455 4.170 -0.008 0.000 0.289 339 I C -0.264 175.933 176.117 0.134 0.000 1.023 339 I CA -0.202 61.150 61.300 0.086 0.000 1.350 339 I CB 0.839 38.832 38.000 -0.012 0.000 1.409 339 I HN 0.685 nan 8.210 nan 0.000 0.507 340 D N 6.180 126.722 120.400 0.237 0.000 2.373 340 D HA 0.144 4.780 4.640 -0.008 0.000 0.227 340 D C 0.886 177.330 176.300 0.240 0.000 1.091 340 D CA -0.423 53.701 54.000 0.206 0.000 0.840 340 D CB 1.950 42.885 40.800 0.224 0.000 1.060 340 D HN 0.259 nan 8.370 nan 0.000 0.502 341 V N 4.454 124.477 119.914 0.181 0.000 2.332 341 V HA -0.273 3.842 4.120 -0.008 0.000 0.248 341 V C 2.043 178.304 176.094 0.278 0.000 1.055 341 V CA 1.728 64.158 62.300 0.216 0.000 1.038 341 V CB -0.449 31.463 31.823 0.148 0.000 0.651 341 V HN 0.528 nan 8.190 nan 0.000 0.450 342 E N 1.014 121.343 120.200 0.214 0.000 2.051 342 E HA -0.159 4.186 4.350 -0.008 0.000 0.192 342 E C 2.478 179.214 176.600 0.225 0.000 0.991 342 E CA 1.675 58.195 56.400 0.199 0.000 0.799 342 E CB -0.560 29.229 29.700 0.148 0.000 0.748 342 E HN 0.766 nan 8.360 nan 0.000 0.449 343 S N 0.046 115.888 115.700 0.238 0.000 2.383 343 S HA -0.164 4.302 4.470 -0.008 0.000 0.227 343 S C 2.040 176.807 174.600 0.277 0.000 1.026 343 S CA 0.807 59.150 58.200 0.238 0.000 0.981 343 S CB -0.606 62.738 63.200 0.240 0.000 0.818 343 S HN 0.313 nan 8.310 nan 0.000 0.472 344 F N 3.031 123.104 119.950 0.204 0.000 2.102 344 F HA -0.054 4.468 4.527 -0.007 0.000 0.298 344 F C 2.038 177.946 175.800 0.179 0.000 1.105 344 F CA 1.918 60.034 58.000 0.194 0.000 1.239 344 F CB -0.864 38.223 39.000 0.145 0.000 0.991 344 F HN 0.254 nan 8.300 nan 0.000 0.474 345 D N 0.119 120.678 120.400 0.264 0.000 2.123 345 D HA -0.250 4.386 4.640 -0.008 0.000 0.196 345 D C 2.284 178.688 176.300 0.172 0.000 0.992 345 D CA 1.679 55.825 54.000 0.244 0.000 0.833 345 D CB -0.260 40.741 40.800 0.335 0.000 0.954 345 D HN 0.320 nan 8.370 nan 0.000 0.455 346 K N -0.532 119.974 120.400 0.178 0.000 2.057 346 K HA -0.142 4.173 4.320 -0.008 0.000 0.206 346 K C 2.132 178.755 176.600 0.039 0.000 1.050 346 K CA 0.832 57.249 56.287 0.215 0.000 0.935 346 K CB -0.244 32.392 32.500 0.228 0.000 0.715 346 K HN 0.160 nan 8.250 nan 0.000 0.439 347 L N 0.634 121.839 121.223 -0.029 0.000 2.017 347 L HA -0.193 4.142 4.340 -0.008 0.000 0.208 347 L C 2.181 178.892 176.870 -0.265 0.000 1.073 347 L CA 1.757 56.519 54.840 -0.130 0.000 0.745 347 L CB -0.892 41.148 42.059 -0.032 0.000 0.894 347 L HN 0.259 nan 8.230 nan 0.000 0.432 348 Y N 0.458 120.468 120.300 -0.483 0.000 2.128 348 Y HA -0.295 4.250 4.550 -0.008 0.000 0.284 348 Y C 2.431 178.101 175.900 -0.383 0.000 1.154 348 Y CA 2.294 60.073 58.100 -0.534 0.000 1.149 348 Y CB -0.120 37.887 38.460 -0.755 0.000 0.976 348 Y HN 0.197 nan 8.280 nan 0.000 0.505 349 K N -0.574 119.781 120.400 -0.074 0.000 2.155 349 K HA -0.102 4.213 4.320 -0.008 0.000 0.203 349 K C 2.262 178.562 176.600 -0.501 0.000 1.052 349 K CA 1.257 57.534 56.287 -0.017 0.000 0.948 349 K CB -0.149 32.617 32.500 0.443 0.000 0.728 349 K HN 0.208 nan 8.250 nan 0.000 0.448 350 S N 1.613 116.777 115.700 -0.894 0.000 2.356 350 S HA -0.091 4.374 4.470 -0.008 0.000 0.223 350 S C 1.935 176.202 174.600 -0.554 0.000 1.032 350 S CA 1.124 58.586 58.200 -1.231 0.000 1.005 350 S CB -0.228 62.434 63.200 -0.896 0.000 0.867 350 S HN 0.188 nan 8.310 nan 0.000 0.449 351 L N 0.469 121.440 121.223 -0.419 0.000 2.093 351 L HA -0.054 4.281 4.340 -0.008 0.000 0.208 351 L C 2.410 179.127 176.870 -0.255 0.000 1.085 351 L CA 0.841 55.532 54.840 -0.249 0.000 0.755 351 L CB -0.394 41.454 42.059 -0.351 0.000 0.904 351 L HN 0.328 nan 8.230 nan 0.000 0.435 352 M N -1.785 117.400 119.600 -0.693 0.000 2.447 352 M HA 0.059 4.535 4.480 -0.008 0.000 0.266 352 M C 1.736 177.528 176.300 -0.847 0.000 1.120 352 M CA 1.450 56.181 55.300 -0.948 0.000 1.166 352 M CB -0.407 31.128 32.600 -1.775 0.000 1.349 352 M HN 0.139 nan 8.290 nan 0.000 0.463 353 F N -1.281 118.501 119.950 -0.280 0.000 2.706 353 F HA 0.338 4.862 4.527 -0.006 0.000 0.308 353 F C 2.112 177.844 175.800 -0.113 0.000 1.095 353 F CA -0.085 57.811 58.000 -0.173 0.000 1.244 353 F CB -0.191 38.738 39.000 -0.118 0.000 1.063 353 F HN 0.130 nan 8.300 nan 0.000 0.582 354 G N 0.379 109.108 108.800 -0.119 0.000 2.564 354 G HA2 0.006 3.962 3.960 -0.008 0.000 0.212 354 G HA3 0.006 3.962 3.960 -0.008 0.000 0.212 354 G C 0.136 174.870 174.900 -0.277 0.000 1.199 354 G CA -0.099 44.874 45.100 -0.212 0.000 0.832 354 G HN 0.107 nan 8.290 nan 0.000 0.565 355 F N 2.894 122.745 119.950 -0.166 0.000 2.541 355 F HA 0.396 4.919 4.527 -0.006 0.000 0.347 355 F C 0.889 176.581 175.800 -0.180 0.000 1.242 355 F CA -0.123 57.774 58.000 -0.171 0.000 1.123 355 F CB 0.327 39.191 39.000 -0.227 0.000 1.354 355 F HN 0.063 nan 8.300 nan 0.000 0.621 356 T N -1.891 112.647 114.554 -0.026 0.000 2.906 356 T HA 0.270 4.616 4.350 -0.008 0.000 0.295 356 T C 0.773 175.382 174.700 -0.152 0.000 1.075 356 T CA -0.860 61.185 62.100 -0.092 0.000 1.005 356 T CB 1.961 70.795 68.868 -0.055 0.000 1.136 356 T HN 0.514 nan 8.240 nan 0.000 0.498 357 E N 0.734 120.792 120.200 -0.237 0.000 2.051 357 E HA -0.163 4.182 4.350 -0.008 0.000 0.192 357 E C 1.680 178.094 176.600 -0.309 0.000 0.991 357 E CA 1.920 58.161 56.400 -0.264 0.000 0.799 357 E CB -0.428 29.103 29.700 -0.282 0.000 0.748 357 E HN 0.787 nan 8.360 nan 0.000 0.449 358 T N 1.288 115.591 114.554 -0.418 0.000 2.684 358 T HA -0.153 4.193 4.350 -0.008 0.000 0.267 358 T C 1.612 176.219 174.700 -0.154 0.000 1.036 358 T CA 1.445 63.353 62.100 -0.320 0.000 1.148 358 T CB -0.328 68.372 68.868 -0.279 0.000 0.863 358 T HN 0.172 nan 8.240 nan 0.000 0.436 359 N N 0.941 119.576 118.700 -0.109 0.000 2.142 359 N HA 0.062 4.797 4.740 -0.008 0.000 0.186 359 N C 1.888 177.386 175.510 -0.019 0.000 1.023 359 N CA 0.856 53.874 53.050 -0.052 0.000 0.852 359 N CB -0.404 38.055 38.487 -0.047 0.000 0.998 359 N HN 0.394 nan 8.380 nan 0.000 0.424 360 I N 0.843 121.392 120.570 -0.035 0.000 2.252 360 I HA -0.200 3.965 4.170 -0.008 0.000 0.245 360 I C 2.253 178.403 176.117 0.056 0.000 1.102 360 I CA 0.816 62.126 61.300 0.016 0.000 1.385 360 I CB -0.318 37.628 38.000 -0.090 0.000 1.064 360 I HN 0.050 nan 8.210 nan 0.000 0.414 361 A N 0.360 123.161 122.820 -0.032 0.000 1.908 361 A HA -0.256 4.060 4.320 -0.008 0.000 0.218 361 A C 2.347 179.968 177.584 0.061 0.000 1.181 361 A CA 1.765 53.795 52.037 -0.013 0.000 0.627 361 A CB -0.547 18.384 19.000 -0.116 0.000 0.818 361 A HN 0.380 nan 8.150 nan 0.000 0.445 362 E N 0.378 120.599 120.200 0.035 0.000 2.051 362 E HA -0.231 4.115 4.350 -0.008 0.000 0.192 362 E C 1.869 178.523 176.600 0.091 0.000 0.991 362 E CA 1.695 58.133 56.400 0.062 0.000 0.799 362 E CB -0.429 29.287 29.700 0.026 0.000 0.748 362 E HN 0.630 nan 8.360 nan 0.000 0.449 363 N N -0.871 117.892 118.700 0.105 0.000 2.166 363 N HA -0.164 4.572 4.740 -0.008 0.000 0.186 363 N C 1.266 176.802 175.510 0.045 0.000 1.019 363 N CA 1.071 54.170 53.050 0.081 0.000 0.856 363 N CB -0.187 38.369 38.487 0.116 0.000 0.993 363 N HN 0.122 nan 8.380 nan 0.000 0.426 364 Y N 0.476 120.784 120.300 0.014 0.000 2.466 364 Y HA 0.287 4.832 4.550 -0.008 0.000 0.272 364 Y C 0.136 176.072 175.900 0.060 0.000 1.169 364 Y CA 0.064 58.177 58.100 0.022 0.000 1.285 364 Y CB 0.114 38.583 38.460 0.015 0.000 1.078 364 Y HN -0.092 nan 8.280 nan 0.000 0.523 365 K N 0.545 121.067 120.400 0.204 0.000 3.150 365 K HA -0.207 4.109 4.320 -0.008 0.000 0.267 365 K C -0.834 175.996 176.600 0.384 0.000 1.028 365 K CA 0.469 56.914 56.287 0.265 0.000 0.753 365 K CB -1.997 30.585 32.500 0.138 0.000 1.288 365 K HN 0.299 nan 8.250 nan 0.000 0.473 366 I N 0.829 121.559 120.570 0.266 0.000 2.404 366 I HA 0.197 4.362 4.170 -0.008 0.000 0.293 366 I C 0.387 176.429 176.117 -0.125 0.000 0.992 366 I CA -0.848 60.547 61.300 0.158 0.000 1.149 366 I CB 1.676 39.755 38.000 0.133 0.000 1.315 366 I HN 0.053 nan 8.210 nan 0.000 0.446 367 K N 3.933 124.108 120.400 -0.375 0.000 2.218 367 K HA 0.492 4.807 4.320 -0.008 0.000 0.276 367 K C -0.453 176.024 176.600 -0.204 0.000 1.022 367 K CA 0.017 55.921 56.287 -0.639 0.000 0.946 367 K CB 1.294 33.252 32.500 -0.904 0.000 1.000 367 K HN 0.683 nan 8.250 nan 0.000 0.468 368 T N 1.199 115.509 114.554 -0.407 0.000 2.754 368 T HA 0.327 4.672 4.350 -0.008 0.000 0.296 368 T C -1.337 172.690 174.700 -1.121 0.000 1.205 368 T CA -0.951 60.661 62.100 -0.813 0.000 1.009 368 T CB 0.744 69.356 68.868 -0.427 0.000 1.368 368 T HN 0.763 nan 8.240 nan 0.000 0.509 369 R N 1.168 120.990 120.500 -1.131 0.000 2.694 369 R HA 0.590 4.926 4.340 -0.008 0.000 0.268 369 R C 1.028 177.294 176.300 -0.057 0.000 1.061 369 R CA 0.239 56.005 56.100 -0.556 0.000 1.133 369 R CB 0.227 30.323 30.300 -0.340 0.000 1.020 369 R HN 0.589 nan 8.270 nan 0.000 0.475 370 A N 1.433 124.252 122.820 -0.002 0.000 2.066 370 A HA -0.012 4.303 4.320 -0.008 0.000 0.218 370 A C 0.847 178.536 177.584 0.175 0.000 1.157 370 A CA 1.189 53.278 52.037 0.086 0.000 0.670 370 A CB -0.011 19.018 19.000 0.049 0.000 0.804 370 A HN 0.813 nan 8.150 nan 0.000 0.453 371 S N -4.097 111.592 115.700 -0.019 0.000 2.567 371 S HA 0.356 4.822 4.470 -0.008 0.000 0.270 371 S C 0.103 174.270 174.600 -0.722 0.000 1.152 371 S CA -0.269 57.764 58.200 -0.278 0.000 0.835 371 S CB 0.162 63.305 63.200 -0.095 0.000 1.115 371 S HN 0.409 nan 8.310 nan 0.000 0.459 372 Y N 3.063 122.691 120.300 -1.121 0.000 2.256 372 Y HA 0.171 4.716 4.550 -0.008 0.000 0.288 372 Y C 0.241 175.635 175.900 -0.843 0.000 1.155 372 Y CA 1.594 59.059 58.100 -1.059 0.000 1.203 372 Y CB 0.003 37.855 38.460 -1.012 0.000 0.980 372 Y HN 0.586 nan 8.280 nan 0.000 0.530 373 F N 1.783 121.512 119.950 -0.368 0.000 2.541 373 F HA 0.297 4.820 4.527 -0.008 0.000 0.351 373 F C 0.091 175.587 175.800 -0.506 0.000 1.209 373 F CA -0.184 57.566 58.000 -0.417 0.000 1.277 373 F CB -0.130 38.647 39.000 -0.371 0.000 1.632 373 F HN -0.087 nan 8.300 nan 0.000 0.619 374 S N -0.698 114.802 115.700 -0.333 0.000 2.556 374 S HA 0.457 4.923 4.470 -0.008 0.000 0.271 374 S C -1.209 173.371 174.600 -0.034 0.000 1.135 374 S CA -1.309 56.732 58.200 -0.265 0.000 0.858 374 S CB 1.780 64.856 63.200 -0.206 0.000 1.114 374 S HN 0.113 nan 8.310 nan 0.000 0.468 375 D N 2.475 122.998 120.400 0.205 0.000 2.443 375 D HA 0.347 4.982 4.640 -0.008 0.000 0.239 375 D C 0.326 176.667 176.300 0.068 0.000 1.136 375 D CA 0.398 54.480 54.000 0.137 0.000 0.879 375 D CB 1.029 41.927 40.800 0.164 0.000 1.195 375 D HN 0.691 nan 8.370 nan 0.000 0.443 376 S N 1.337 117.055 115.700 0.030 0.000 2.489 376 S HA 0.641 5.107 4.470 -0.008 0.000 0.291 376 S C 0.009 174.639 174.600 0.049 0.000 1.151 376 S CA -0.944 57.271 58.200 0.024 0.000 1.082 376 S CB 1.141 64.328 63.200 -0.021 0.000 1.019 376 S HN 0.326 nan 8.310 nan 0.000 0.492 377 L N 1.430 122.688 121.223 0.058 0.000 2.335 377 L HA 0.593 4.928 4.340 -0.008 0.000 0.268 377 L C -2.391 174.503 176.870 0.040 0.000 1.016 377 L CA -2.968 51.901 54.840 0.048 0.000 0.805 377 L CB 0.898 42.980 42.059 0.038 0.000 1.311 377 L HN 0.402 nan 8.230 nan 0.000 0.456 378 P HA 0.096 nan 4.420 nan 0.000 0.268 378 P C -2.439 174.869 177.300 0.013 0.000 1.204 378 P CA -0.668 62.452 63.100 0.034 0.000 0.768 378 P CB -0.003 31.718 31.700 0.035 0.000 0.842 379 P HA 0.107 nan 4.420 nan 0.000 0.275 379 P C -0.809 176.463 177.300 -0.047 0.000 1.266 379 P CA -0.041 63.056 63.100 -0.005 0.000 0.793 379 P CB 0.685 32.395 31.700 0.018 0.000 1.074 380 V N -3.478 116.388 119.914 -0.081 0.000 3.141 380 V HA 0.635 4.750 4.120 -0.008 0.000 0.312 380 V C -0.620 175.364 176.094 -0.183 0.000 1.157 380 V CA -1.159 61.069 62.300 -0.121 0.000 1.041 380 V CB 2.024 33.720 31.823 -0.212 0.000 1.071 380 V HN 0.516 nan 8.190 nan 0.000 0.441 381 K N 2.073 122.338 120.400 -0.225 0.000 2.307 381 K HA 0.529 4.844 4.320 -0.008 0.000 0.263 381 K C -0.971 175.444 176.600 -0.307 0.000 0.973 381 K CA -0.813 55.208 56.287 -0.444 0.000 0.846 381 K CB 1.334 33.529 32.500 -0.509 0.000 1.100 381 K HN 0.700 nan 8.250 nan 0.000 0.438 382 I N 5.026 125.415 120.570 -0.301 0.000 2.556 382 I HA -0.012 4.153 4.170 -0.008 0.000 0.284 382 I C 1.391 177.427 176.117 -0.136 0.000 1.114 382 I CA 0.325 61.527 61.300 -0.163 0.000 1.418 382 I CB 0.936 38.918 38.000 -0.029 0.000 1.394 382 I HN 0.761 nan 8.210 nan 0.000 0.552 383 K N 3.743 124.095 120.400 -0.080 0.000 2.002 383 K HA -0.138 4.177 4.320 -0.008 0.000 0.209 383 K C 0.550 177.138 176.600 -0.021 0.000 1.048 383 K CA 1.413 57.667 56.287 -0.055 0.000 0.930 383 K CB 0.001 32.477 32.500 -0.041 0.000 0.714 383 K HN 0.502 nan 8.250 nan 0.000 0.438 384 N N -0.291 118.416 118.700 0.013 0.000 2.747 384 N HA 0.102 4.838 4.740 -0.008 0.000 0.262 384 N C -0.140 175.390 175.510 0.033 0.000 1.261 384 N CA -0.074 52.988 53.050 0.021 0.000 0.809 384 N CB 0.698 39.204 38.487 0.032 0.000 1.450 384 N HN -0.076 nan 8.380 nan 0.000 0.560 385 L N 2.019 123.227 121.223 -0.025 0.000 2.362 385 L HA 0.048 4.383 4.340 -0.008 0.000 0.219 385 L C 1.422 178.318 176.870 0.044 0.000 1.134 385 L CA 0.941 55.726 54.840 -0.093 0.000 0.807 385 L CB -0.005 41.904 42.059 -0.251 0.000 0.927 385 L HN 0.533 nan 8.230 nan 0.000 0.447 386 L N -0.943 120.307 121.223 0.044 0.000 2.612 386 L HA 0.071 4.407 4.340 -0.008 0.000 0.230 386 L C 0.289 177.199 176.870 0.068 0.000 1.140 386 L CA -0.061 54.815 54.840 0.060 0.000 0.896 386 L CB -0.271 41.812 42.059 0.040 0.000 1.065 386 L HN 0.084 nan 8.230 nan 0.000 0.447 387 D N 0.259 120.709 120.400 0.083 0.000 2.412 387 D HA 0.060 4.695 4.640 -0.008 0.000 0.224 387 D C 0.829 177.188 176.300 0.100 0.000 1.093 387 D CA -0.200 53.848 54.000 0.080 0.000 0.850 387 D CB 0.689 41.535 40.800 0.078 0.000 1.046 387 D HN -0.063 nan 8.370 nan 0.000 0.507 388 N N 2.634 121.378 118.700 0.074 0.000 2.513 388 N HA -0.191 4.544 4.740 -0.008 0.000 0.187 388 N C 1.227 176.778 175.510 0.068 0.000 1.056 388 N CA 0.482 53.570 53.050 0.062 0.000 0.907 388 N CB 0.266 38.773 38.487 0.034 0.000 0.954 388 N HN 0.565 nan 8.380 nan 0.000 0.445 389 E N 0.581 120.828 120.200 0.079 0.000 2.274 389 E HA -0.010 4.336 4.350 -0.008 0.000 0.194 389 E C 1.426 178.101 176.600 0.125 0.000 0.996 389 E CA 0.775 57.224 56.400 0.083 0.000 0.840 389 E CB 0.108 29.851 29.700 0.070 0.000 0.772 389 E HN 0.188 nan 8.360 nan 0.000 0.491 390 I N -1.014 119.655 120.570 0.166 0.000 3.883 390 I HA 0.152 4.318 4.170 -0.008 0.000 0.305 390 I C -0.239 176.086 176.117 0.346 0.000 1.247 390 I CA 0.263 61.724 61.300 0.269 0.000 1.350 390 I CB 0.016 38.181 38.000 0.276 0.000 1.194 390 I HN 0.007 nan 8.210 nan 0.000 0.441 391 Y N 1.624 121.947 120.300 0.039 0.000 2.433 391 Y HA 0.448 4.994 4.550 -0.008 0.000 0.337 391 Y C -0.188 175.669 175.900 -0.071 0.000 1.026 391 Y CA -1.008 57.020 58.100 -0.119 0.000 1.037 391 Y CB 1.517 39.814 38.460 -0.272 0.000 1.245 391 Y HN 0.027 nan 8.280 nan 0.000 0.443 392 T N 2.632 116.908 114.554 -0.463 0.000 2.916 392 T HA 0.446 4.791 4.350 -0.008 0.000 0.292 392 T C 0.890 175.339 174.700 -0.418 0.000 1.055 392 T CA -0.743 61.181 62.100 -0.294 0.000 1.009 392 T CB 1.399 70.175 68.868 -0.153 0.000 1.118 392 T HN 0.643 nan 8.240 nan 0.000 0.497 393 I N 0.614 121.066 120.570 -0.196 0.000 2.208 393 I HA -0.159 4.007 4.170 -0.008 0.000 0.245 393 I C 2.428 178.472 176.117 -0.123 0.000 1.097 393 I CA 1.517 62.740 61.300 -0.128 0.000 1.363 393 I CB -0.243 37.733 38.000 -0.040 0.000 1.051 393 I HN 0.719 nan 8.210 nan 0.000 0.413 394 E N 0.728 120.861 120.200 -0.110 0.000 2.047 394 E HA -0.176 4.170 4.350 -0.008 0.000 0.191 394 E C 1.683 178.228 176.600 -0.093 0.000 0.987 394 E CA 1.246 57.595 56.400 -0.085 0.000 0.799 394 E CB -0.037 29.622 29.700 -0.068 0.000 0.752 394 E HN 0.489 nan 8.360 nan 0.000 0.449 395 E N -0.822 119.301 120.200 -0.129 0.000 2.562 395 E HA 0.260 4.606 4.350 -0.008 0.000 0.214 395 E C 0.810 177.323 176.600 -0.144 0.000 0.979 395 E CA 0.122 56.466 56.400 -0.093 0.000 1.002 395 E CB 1.033 30.703 29.700 -0.049 0.000 1.048 395 E HN 0.234 nan 8.360 nan 0.000 0.488 396 G N 1.685 110.235 108.800 -0.418 0.000 2.556 396 G HA2 -0.383 3.573 3.960 -0.008 0.000 0.283 396 G HA3 -0.383 3.573 3.960 -0.008 0.000 0.283 396 G C 0.497 175.150 174.900 -0.412 0.000 1.177 396 G CA 0.460 45.116 45.100 -0.740 0.000 0.978 396 G HN 0.267 nan 8.290 nan 0.000 0.554 397 F N 1.580 121.626 119.950 0.161 0.000 2.416 397 F HA 0.188 4.710 4.527 -0.008 0.000 0.296 397 F C 1.843 177.730 175.800 0.144 0.000 1.099 397 F CA 0.674 58.825 58.000 0.252 0.000 1.427 397 F CB 0.054 39.255 39.000 0.336 0.000 1.079 397 F HN 0.128 nan 8.300 nan 0.000 0.536 398 N N 2.171 121.041 118.700 0.283 0.000 3.254 398 N HA 0.127 4.862 4.740 -0.008 0.000 0.308 398 N C -0.410 175.160 175.510 0.100 0.000 1.281 398 N CA 0.293 53.453 53.050 0.183 0.000 1.212 398 N CB -0.393 38.201 38.487 0.178 0.000 1.478 398 N HN 0.232 nan 8.380 nan 0.000 0.548 399 I N 0.926 121.557 120.570 0.101 0.000 2.436 399 I HA -0.063 4.103 4.170 -0.008 0.000 0.289 399 I C 1.718 177.861 176.117 0.045 0.000 1.083 399 I CA -0.214 61.120 61.300 0.056 0.000 1.372 399 I CB 0.681 38.720 38.000 0.065 0.000 1.408 399 I HN 0.238 nan 8.210 nan 0.000 0.516 400 S N 3.089 118.802 115.700 0.022 0.000 2.382 400 S HA -0.193 4.272 4.470 -0.008 0.000 0.228 400 S C 1.286 175.896 174.600 0.017 0.000 1.027 400 S CA 0.993 59.200 58.200 0.013 0.000 0.991 400 S CB -0.181 63.019 63.200 -0.001 0.000 0.823 400 S HN 0.649 nan 8.310 nan 0.000 0.469 401 D N 1.844 122.255 120.400 0.018 0.000 2.351 401 D HA -0.002 4.633 4.640 -0.008 0.000 0.216 401 D C 1.302 177.619 176.300 0.028 0.000 0.968 401 D CA 0.899 54.910 54.000 0.019 0.000 0.899 401 D CB -0.057 40.754 40.800 0.017 0.000 0.907 401 D HN 0.610 nan 8.370 nan 0.000 0.514 402 K N 0.130 120.554 120.400 0.039 0.000 2.387 402 K HA 0.029 4.344 4.320 -0.008 0.000 0.203 402 K C -0.149 176.479 176.600 0.047 0.000 1.030 402 K CA -0.171 56.145 56.287 0.048 0.000 1.099 402 K CB 1.107 33.649 32.500 0.069 0.000 0.863 402 K HN -0.198 nan 8.250 nan 0.000 0.529 403 D N 0.811 121.234 120.400 0.037 0.000 2.772 403 D HA -0.175 4.460 4.640 -0.008 0.000 0.233 403 D C 0.309 176.634 176.300 0.043 0.000 1.143 403 D CA 0.688 54.706 54.000 0.031 0.000 0.700 403 D CB -0.370 40.446 40.800 0.026 0.000 1.076 403 D HN 0.126 nan 8.370 nan 0.000 0.430 404 M N -0.596 119.039 119.600 0.058 0.000 2.356 404 M HA 0.109 4.585 4.480 -0.008 0.000 0.262 404 M C 1.691 178.035 176.300 0.073 0.000 1.097 404 M CA 0.060 55.410 55.300 0.082 0.000 0.991 404 M CB 0.574 33.248 32.600 0.124 0.000 1.450 404 M HN 0.171 nan 8.290 nan 0.000 0.495 405 E N 1.724 121.945 120.200 0.035 0.000 2.060 405 E HA 0.020 4.365 4.350 -0.008 0.000 0.189 405 E C 0.157 176.718 176.600 -0.064 0.000 0.974 405 E CA 0.614 57.015 56.400 0.002 0.000 0.808 405 E CB 0.466 30.161 29.700 -0.010 0.000 0.768 405 E HN 0.368 nan 8.360 nan 0.000 0.453 406 K N 1.253 121.619 120.400 -0.056 0.000 2.401 406 K HA -0.004 4.312 4.320 -0.008 0.000 0.278 406 K C -0.071 176.469 176.600 -0.101 0.000 1.018 406 K CA 0.330 56.560 56.287 -0.095 0.000 0.981 406 K CB 0.379 32.851 32.500 -0.046 0.000 0.933 406 K HN 0.080 nan 8.250 nan 0.000 0.477 407 E N 1.573 121.651 120.200 -0.204 0.000 2.660 407 E HA -0.273 4.072 4.350 -0.008 0.000 0.260 407 E C -1.072 175.561 176.600 0.055 0.000 1.122 407 E CA 0.633 56.965 56.400 -0.114 0.000 0.755 407 E CB -1.806 27.924 29.700 0.049 0.000 1.345 407 E HN 0.686 nan 8.360 nan 0.000 0.421 408 Y N -2.614 117.737 120.300 0.086 0.000 3.225 408 Y HA -0.339 4.206 4.550 -0.009 0.000 0.211 408 Y C 1.574 177.567 175.900 0.154 0.000 1.223 408 Y CA 1.059 59.222 58.100 0.106 0.000 1.284 408 Y CB -1.944 36.554 38.460 0.062 0.000 1.367 408 Y HN 0.234 nan 8.280 nan 0.000 0.566 409 R N 0.143 120.755 120.500 0.188 0.000 2.152 409 R HA -0.117 4.218 4.340 -0.008 0.000 0.232 409 R C 2.420 178.778 176.300 0.096 0.000 1.117 409 R CA 1.165 57.344 56.100 0.132 0.000 0.981 409 R CB -0.428 29.923 30.300 0.085 0.000 0.870 409 R HN 0.645 nan 8.270 nan 0.000 0.451 410 G N 0.082 108.961 108.800 0.132 0.000 2.509 410 G HA2 -0.229 3.726 3.960 -0.008 0.000 0.218 410 G HA3 -0.229 3.726 3.960 -0.008 0.000 0.218 410 G C 1.081 175.944 174.900 -0.063 0.000 1.124 410 G CA 0.224 45.416 45.100 0.154 0.000 0.776 410 G HN 0.358 nan 8.290 nan 0.000 0.547 411 Q N -0.392 119.270 119.800 -0.229 0.000 2.282 411 Q HA 0.108 4.443 4.340 -0.008 0.000 0.206 411 Q C 0.311 175.783 176.000 -0.880 0.000 0.878 411 Q CA -0.481 54.761 55.803 -0.934 0.000 0.944 411 Q CB 0.406 28.917 28.738 -0.377 0.000 1.100 411 Q HN 0.245 nan 8.270 nan 0.000 0.509 412 N N 1.721 120.160 118.700 -0.435 0.000 2.442 412 N HA 0.007 4.742 4.740 -0.008 0.000 0.265 412 N C 0.402 175.755 175.510 -0.261 0.000 1.138 412 N CA 0.331 53.006 53.050 -0.625 0.000 0.956 412 N CB 0.862 39.090 38.487 -0.431 0.000 1.067 412 N HN 0.071 nan 8.380 nan 0.000 0.474 413 K N 2.506 122.740 120.400 -0.277 0.000 2.147 413 K HA -0.105 4.211 4.320 -0.008 0.000 0.205 413 K C 1.418 178.096 176.600 0.130 0.000 1.049 413 K CA 1.383 57.675 56.287 0.008 0.000 0.936 413 K CB 0.090 32.505 32.500 -0.143 0.000 0.722 413 K HN 0.592 nan 8.250 nan 0.000 0.446 414 A N 0.562 123.368 122.820 -0.024 0.000 2.123 414 A HA 0.024 4.340 4.320 -0.008 0.000 0.214 414 A C 1.860 179.464 177.584 0.034 0.000 1.152 414 A CA 0.800 52.846 52.037 0.016 0.000 0.728 414 A CB -0.147 18.840 19.000 -0.022 0.000 0.814 414 A HN 0.139 nan 8.150 nan 0.000 0.464 415 I N -1.661 118.925 120.570 0.026 0.000 2.947 415 I HA 0.057 4.223 4.170 -0.008 0.000 0.263 415 I C 0.790 176.962 176.117 0.092 0.000 1.130 415 I CA 0.294 61.622 61.300 0.045 0.000 1.448 415 I CB 0.103 38.116 38.000 0.022 0.000 1.222 415 I HN 0.149 nan 8.210 nan 0.000 0.453 416 N N 1.662 120.457 118.700 0.158 0.000 3.131 416 N HA 0.108 4.843 4.740 -0.008 0.000 0.312 416 N C 0.744 176.402 175.510 0.247 0.000 1.433 416 N CA 0.104 53.281 53.050 0.212 0.000 1.141 416 N CB 0.106 38.757 38.487 0.273 0.000 1.431 416 N HN 0.100 nan 8.380 nan 0.000 0.523 417 K N -0.310 120.148 120.400 0.097 0.000 2.209 417 K HA -0.138 4.178 4.320 -0.008 0.000 0.204 417 K C 1.648 178.071 176.600 -0.296 0.000 1.048 417 K CA 0.886 57.069 56.287 -0.172 0.000 0.940 417 K CB 0.196 32.607 32.500 -0.149 0.000 0.729 417 K HN 0.496 nan 8.250 nan 0.000 0.451 418 Q N 0.203 119.943 119.800 -0.099 0.000 2.436 418 Q HA -0.028 4.308 4.340 -0.008 0.000 0.209 418 Q C 1.625 177.589 176.000 -0.059 0.000 0.965 418 Q CA 1.335 57.090 55.803 -0.080 0.000 0.910 418 Q CB -0.051 28.685 28.738 -0.004 0.000 0.980 418 Q HN 0.242 nan 8.270 nan 0.000 0.491 419 A N 0.314 123.124 122.820 -0.016 0.000 2.081 419 A HA 0.179 4.495 4.320 -0.008 0.000 0.214 419 A C 0.608 178.126 177.584 -0.110 0.000 1.158 419 A CA 0.460 52.519 52.037 0.037 0.000 0.724 419 A CB -0.110 18.995 19.000 0.175 0.000 0.826 419 A HN 0.554 nan 8.150 nan 0.000 0.463 420 Y N -2.965 117.122 120.300 -0.356 0.000 2.669 420 Y HA 0.819 5.365 4.550 -0.007 0.000 0.335 420 Y C -0.806 174.936 175.900 -0.264 0.000 1.116 420 Y CA -1.544 56.301 58.100 -0.424 0.000 1.081 420 Y CB 0.854 38.854 38.460 -0.768 0.000 1.297 420 Y HN 0.001 nan 8.280 nan 0.000 0.484 421 E N 0.836 120.938 120.200 -0.164 0.000 2.293 421 E HA 0.249 4.594 4.350 -0.008 0.000 0.270 421 E C -1.199 175.407 176.600 0.011 0.000 0.879 421 E CA -1.143 55.161 56.400 -0.160 0.000 0.756 421 E CB 2.109 31.740 29.700 -0.116 0.000 1.208 421 E HN 0.527 nan 8.360 nan 0.000 0.428 422 E N 1.449 121.653 120.200 0.008 0.000 2.374 422 E HA 0.266 4.611 4.350 -0.008 0.000 0.260 422 E C -0.156 176.445 176.600 0.002 0.000 1.101 422 E CA -0.005 56.423 56.400 0.047 0.000 0.907 422 E CB 0.978 30.704 29.700 0.043 0.000 1.014 422 E HN 0.399 nan 8.360 nan 0.000 0.427 423 I N 0.813 121.376 120.570 -0.011 0.000 2.437 423 I HA 0.034 4.200 4.170 -0.008 0.000 0.298 423 I C 0.680 176.812 176.117 0.026 0.000 0.984 423 I CA -0.540 60.742 61.300 -0.031 0.000 1.214 423 I CB 1.664 39.570 38.000 -0.157 0.000 1.365 423 I HN 0.257 nan 8.210 nan 0.000 0.469 424 S N 5.337 121.070 115.700 0.055 0.000 2.509 424 S HA 0.030 4.495 4.470 -0.008 0.000 0.287 424 S C 1.276 175.891 174.600 0.023 0.000 1.248 424 S CA -0.401 57.797 58.200 -0.003 0.000 1.089 424 S CB 0.286 63.414 63.200 -0.121 0.000 0.900 424 S HN 0.459 nan 8.310 nan 0.000 0.496 425 K N 4.264 124.677 120.400 0.021 0.000 2.218 425 K HA -0.139 4.177 4.320 -0.008 0.000 0.205 425 K C 1.580 178.207 176.600 0.045 0.000 1.046 425 K CA 1.428 57.746 56.287 0.050 0.000 0.933 425 K CB -0.215 32.305 32.500 0.034 0.000 0.728 425 K HN 0.762 nan 8.250 nan 0.000 0.454 426 E N -0.264 119.912 120.200 -0.040 0.000 2.333 426 E HA -0.159 4.187 4.350 -0.008 0.000 0.198 426 E C 0.889 177.525 176.600 0.060 0.000 1.007 426 E CA 0.834 57.202 56.400 -0.055 0.000 0.845 426 E CB -0.128 29.474 29.700 -0.165 0.000 0.766 426 E HN 0.600 nan 8.360 nan 0.000 0.507 427 H N -0.956 118.200 119.070 0.143 0.000 2.542 427 H HA 0.236 4.787 4.556 -0.008 0.000 0.283 427 H C -0.115 175.351 175.328 0.230 0.000 1.059 427 H CA -0.587 55.556 56.048 0.157 0.000 1.162 427 H CB 0.536 30.435 29.762 0.229 0.000 1.539 427 H HN -0.065 nan 8.280 nan 0.000 0.543 428 L N 1.270 122.675 121.223 0.304 0.000 2.317 428 L HA 0.648 4.983 4.340 -0.008 0.000 0.281 428 L C -0.239 176.748 176.870 0.196 0.000 1.024 428 L CA -0.974 54.028 54.840 0.269 0.000 0.810 428 L CB 1.737 43.919 42.059 0.207 0.000 1.240 428 L HN 0.071 nan 8.230 nan 0.000 0.427 429 A N 3.432 126.386 122.820 0.223 0.000 2.343 429 A HA 0.850 5.166 4.320 -0.008 0.000 0.316 429 A C -1.009 176.669 177.584 0.157 0.000 1.104 429 A CA -0.488 51.650 52.037 0.168 0.000 0.768 429 A CB 1.681 20.798 19.000 0.194 0.000 1.213 429 A HN 0.397 nan 8.150 nan 0.000 0.456 430 V N 2.122 122.109 119.914 0.121 0.000 2.686 430 V HA 0.257 4.372 4.120 -0.008 0.000 0.306 430 V C -1.113 175.064 176.094 0.137 0.000 1.065 430 V CA -0.611 61.764 62.300 0.125 0.000 0.894 430 V CB 1.703 33.580 31.823 0.090 0.000 1.004 430 V HN 0.846 nan 8.190 nan 0.000 0.424 431 Y N 5.001 125.321 120.300 0.032 0.000 2.436 431 Y HA 0.463 5.009 4.550 -0.008 0.000 0.336 431 Y C 0.242 176.146 175.900 0.007 0.000 1.049 431 Y CA -0.013 58.097 58.100 0.017 0.000 1.294 431 Y CB 0.375 38.849 38.460 0.023 0.000 1.179 431 Y HN 0.600 nan 8.280 nan 0.000 0.520 432 K N 6.343 126.469 120.400 -0.457 0.000 2.340 432 K HA 0.562 4.878 4.320 -0.008 0.000 0.244 432 K C -1.439 174.815 176.600 -0.575 0.000 0.973 432 K CA -1.081 54.960 56.287 -0.410 0.000 0.828 432 K CB 1.986 34.362 32.500 -0.207 0.000 1.226 432 K HN 0.437 nan 8.250 nan 0.000 0.437 433 I N 2.200 122.529 120.570 -0.402 0.000 2.362 433 I HA 0.177 4.343 4.170 -0.008 0.000 0.289 433 I C -0.289 175.676 176.117 -0.253 0.000 0.994 433 I CA -0.345 60.755 61.300 -0.333 0.000 1.158 433 I CB 1.357 39.198 38.000 -0.266 0.000 1.315 433 I HN 0.641 nan 8.210 nan 0.000 0.451 434 Q N 7.032 126.695 119.800 -0.229 0.000 2.377 434 Q HA 0.412 4.748 4.340 -0.008 0.000 0.249 434 Q C -0.907 174.938 176.000 -0.257 0.000 1.005 434 Q CA -0.385 55.283 55.803 -0.225 0.000 0.912 434 Q CB 0.800 29.415 28.738 -0.204 0.000 1.223 434 Q HN 0.537 nan 8.270 nan 0.000 0.459 435 M N 3.755 123.203 119.600 -0.253 0.000 2.069 435 M HA 0.312 4.787 4.480 -0.008 0.000 0.349 435 M C -0.950 175.163 176.300 -0.312 0.000 1.194 435 M CA -0.523 54.615 55.300 -0.270 0.000 1.081 435 M CB 0.502 32.988 32.600 -0.191 0.000 1.500 435 M HN 0.536 nan 8.290 nan 0.000 0.438 436 c N 2.749 121.080 118.600 -0.447 0.000 2.391 436 c HA 0.522 5.087 4.570 -0.008 0.000 0.339 436 c C 0.580 174.475 174.090 -0.325 0.000 1.205 436 c CA -1.092 54.968 56.329 -0.448 0.000 1.937 436 c CB 1.487 43.581 42.510 -0.693 0.000 2.341 436 c HN 0.758 nan 8.230 nan 0.000 0.516 437 K N 0.866 121.173 120.400 -0.155 0.000 2.090 437 K HA 0.348 4.663 4.320 -0.008 0.000 0.249 437 K C 0.350 177.002 176.600 0.087 0.000 0.995 437 K CA -0.040 56.230 56.287 -0.029 0.000 0.914 437 K CB 0.733 33.221 32.500 -0.020 0.000 1.057 437 K HN 0.782 nan 8.250 nan 0.000 0.462 438 S N 0.506 116.282 115.700 0.127 0.000 4.175 438 S HA 0.214 4.680 4.470 -0.008 0.000 0.193 438 S C 0.054 174.703 174.600 0.081 0.000 1.373 438 S CA -0.693 57.596 58.200 0.150 0.000 0.908 438 S CB -0.803 62.451 63.200 0.090 0.000 1.547 438 S HN 0.278 nan 8.310 nan 0.000 0.440 444 I N 1.031 121.566 120.570 -0.059 0.000 2.404 444 I HA 0.809 4.974 4.170 -0.008 0.000 0.293 444 I C -0.255 175.784 176.117 -0.130 0.000 0.992 444 I CA -0.838 60.414 61.300 -0.080 0.000 1.149 444 I CB 1.202 39.163 38.000 -0.064 0.000 1.315 444 I HN 0.623 nan 8.210 nan 0.000 0.446 445 c N 6.617 125.121 118.600 -0.159 0.000 2.779 445 c HA 0.692 5.257 4.570 -0.008 0.000 0.314 445 c C -0.333 173.584 174.090 -0.288 0.000 1.231 445 c CA -1.007 55.189 56.329 -0.223 0.000 1.652 445 c CB 1.405 43.784 42.510 -0.219 0.000 2.198 445 c HN 0.621 nan 8.230 nan 0.000 0.483 446 I N 1.546 121.917 120.570 -0.331 0.000 2.533 446 I HA 0.294 4.459 4.170 -0.008 0.000 0.290 446 I C -1.177 174.773 176.117 -0.278 0.000 1.056 446 I CA -0.179 60.857 61.300 -0.441 0.000 1.057 446 I CB 1.782 39.439 38.000 -0.571 0.000 1.240 446 I HN 0.551 nan 8.210 nan 0.000 0.423 447 D N 5.773 126.043 120.400 -0.217 0.000 2.249 447 D HA 0.410 5.046 4.640 -0.008 0.000 0.246 447 D C -0.605 175.626 176.300 -0.115 0.000 1.114 447 D CA -0.017 53.890 54.000 -0.154 0.000 0.854 447 D CB 2.316 43.053 40.800 -0.106 0.000 1.132 447 D HN 0.026 nan 8.370 nan 0.000 0.461 448 V N 2.942 122.770 119.914 -0.145 0.000 2.483 448 V HA 0.128 4.244 4.120 -0.008 0.000 0.297 448 V C -0.159 175.864 176.094 -0.119 0.000 1.027 448 V CA -1.056 61.176 62.300 -0.114 0.000 0.855 448 V CB 2.046 33.723 31.823 -0.244 0.000 0.995 448 V HN 0.363 nan 8.190 nan 0.000 0.424 449 D N 3.035 123.412 120.400 -0.038 0.000 2.455 449 D HA -0.015 4.620 4.640 -0.008 0.000 0.241 449 D C 1.157 177.443 176.300 -0.022 0.000 1.138 449 D CA 0.399 54.385 54.000 -0.024 0.000 0.877 449 D CB 0.712 41.533 40.800 0.035 0.000 1.187 449 D HN 0.642 nan 8.370 nan 0.000 0.451 450 N N 1.932 120.623 118.700 -0.016 0.000 2.192 450 N HA -0.214 4.522 4.740 -0.008 0.000 0.188 450 N C 0.961 176.537 175.510 0.110 0.000 1.013 450 N CA 1.394 54.479 53.050 0.059 0.000 0.863 450 N CB 0.192 38.830 38.487 0.253 0.000 0.990 450 N HN 0.358 nan 8.380 nan 0.000 0.430 451 E N -0.435 119.829 120.200 0.106 0.000 2.268 451 E HA -0.082 4.264 4.350 -0.008 0.000 0.195 451 E C 0.699 177.367 176.600 0.113 0.000 0.995 451 E CA 0.860 57.326 56.400 0.111 0.000 0.836 451 E CB 0.033 29.785 29.700 0.088 0.000 0.763 451 E HN 0.430 nan 8.360 nan 0.000 0.491 452 D N -0.069 120.392 120.400 0.103 0.000 2.340 452 D HA 0.045 4.681 4.640 -0.008 0.000 0.220 452 D C 0.475 176.869 176.300 0.157 0.000 1.039 452 D CA 0.224 54.293 54.000 0.115 0.000 0.866 452 D CB 0.286 41.178 40.800 0.153 0.000 0.913 452 D HN 0.171 nan 8.370 nan 0.000 0.523 453 L N -0.133 121.188 121.223 0.164 0.000 2.479 453 L HA 0.240 4.575 4.340 -0.008 0.000 0.249 453 L C 0.230 177.215 176.870 0.193 0.000 1.178 453 L CA -0.666 54.331 54.840 0.261 0.000 0.811 453 L CB 0.215 42.391 42.059 0.194 0.000 1.187 453 L HN -0.219 nan 8.230 nan 0.000 0.480 454 F N 0.456 120.590 119.950 0.306 0.000 2.420 454 F HA 0.197 4.719 4.527 -0.008 0.000 0.352 454 F C 0.123 176.046 175.800 0.206 0.000 1.108 454 F CA -0.162 57.984 58.000 0.243 0.000 1.162 454 F CB 0.281 39.408 39.000 0.212 0.000 1.118 454 F HN 0.105 nan 8.300 nan 0.000 0.510 455 F N 5.595 125.710 119.950 0.274 0.000 2.421 455 F HA 0.566 5.088 4.527 -0.008 0.000 0.358 455 F C -0.517 175.374 175.800 0.152 0.000 1.115 455 F CA -0.606 57.513 58.000 0.198 0.000 1.160 455 F CB 0.144 39.273 39.000 0.216 0.000 1.123 455 F HN 0.265 nan 8.300 nan 0.000 0.508 456 I N 7.163 127.492 120.570 -0.401 0.000 2.493 456 I HA 0.328 4.493 4.170 -0.008 0.000 0.279 456 I C -0.063 175.828 176.117 -0.377 0.000 1.045 456 I CA -0.905 60.277 61.300 -0.197 0.000 1.106 456 I CB 1.295 39.264 38.000 -0.051 0.000 1.216 456 I HN 0.745 nan 8.210 nan 0.000 0.459 457 A N 4.906 127.600 122.820 -0.210 0.000 2.565 457 A HA -0.008 4.307 4.320 -0.008 0.000 0.237 457 A C 0.221 177.806 177.584 0.003 0.000 1.053 457 A CA 0.306 52.291 52.037 -0.087 0.000 0.755 457 A CB 0.146 19.271 19.000 0.208 0.000 0.980 457 A HN 0.776 nan 8.150 nan 0.000 0.506 458 D N 1.445 121.796 120.400 -0.081 0.000 2.339 458 D HA 0.048 4.683 4.640 -0.008 0.000 0.245 458 D C 1.027 177.365 176.300 0.063 0.000 1.115 458 D CA -0.225 53.765 54.000 -0.016 0.000 0.917 458 D CB 0.757 41.514 40.800 -0.071 0.000 1.192 458 D HN 0.619 nan 8.370 nan 0.000 0.428 459 K N 1.937 122.434 120.400 0.161 0.000 2.211 459 K HA -0.150 4.165 4.320 -0.008 0.000 0.204 459 K C 1.248 177.934 176.600 0.144 0.000 1.047 459 K CA 0.943 57.391 56.287 0.267 0.000 0.935 459 K CB 0.100 32.714 32.500 0.190 0.000 0.728 459 K HN 0.381 nan 8.250 nan 0.000 0.452 460 N N 0.314 119.020 118.700 0.009 0.000 2.573 460 N HA -0.069 4.666 4.740 -0.008 0.000 0.187 460 N C 1.139 176.554 175.510 -0.159 0.000 1.107 460 N CA 0.686 53.711 53.050 -0.041 0.000 0.918 460 N CB 0.116 38.580 38.487 -0.039 0.000 0.966 460 N HN 0.111 nan 8.380 nan 0.000 0.448 461 S N 0.051 115.516 115.700 -0.393 0.000 2.453 461 S HA 0.058 4.523 4.470 -0.008 0.000 0.231 461 S C 0.346 174.489 174.600 -0.762 0.000 1.005 461 S CA 0.537 58.329 58.200 -0.680 0.000 0.949 461 S CB -0.015 62.544 63.200 -1.070 0.000 0.774 461 S HN 0.199 nan 8.310 nan 0.000 0.510 462 F N 1.232 121.202 119.950 0.034 0.000 2.443 462 F HA 0.487 5.010 4.527 -0.007 0.000 0.335 462 F C 0.625 176.436 175.800 0.019 0.000 1.104 462 F CA -1.075 56.942 58.000 0.029 0.000 1.013 462 F CB 1.000 40.016 39.000 0.027 0.000 1.136 462 F HN -0.186 nan 8.300 nan 0.000 0.470 463 S N 0.667 116.476 115.700 0.180 0.000 2.572 463 S HA 0.001 4.466 4.470 -0.008 0.000 0.279 463 S C 0.268 174.921 174.600 0.088 0.000 1.341 463 S CA -0.238 58.023 58.200 0.102 0.000 1.043 463 S CB 0.463 63.712 63.200 0.083 0.000 0.887 463 S HN 0.752 nan 8.310 nan 0.000 0.516 464 D N 1.468 121.900 120.400 0.053 0.000 2.501 464 D HA 0.246 4.881 4.640 -0.008 0.000 0.226 464 D C 0.444 176.751 176.300 0.012 0.000 1.198 464 D CA -0.186 53.833 54.000 0.031 0.000 0.830 464 D CB 0.096 40.914 40.800 0.030 0.000 1.014 464 D HN 0.504 nan 8.370 nan 0.000 0.496 465 D N -0.001 120.408 120.400 0.014 0.000 2.265 465 D HA -0.113 4.522 4.640 -0.008 0.000 0.208 465 D C 1.883 178.173 176.300 -0.017 0.000 0.977 465 D CA 0.559 54.561 54.000 0.002 0.000 0.871 465 D CB 0.108 40.912 40.800 0.007 0.000 0.925 465 D HN 0.380 nan 8.370 nan 0.000 0.485 466 L N 0.593 121.796 121.223 -0.033 0.000 2.549 466 L HA -0.101 4.234 4.340 -0.008 0.000 0.229 466 L C 2.047 178.876 176.870 -0.068 0.000 1.158 466 L CA 0.743 55.540 54.840 -0.071 0.000 0.842 466 L CB -0.212 41.783 42.059 -0.108 0.000 0.952 466 L HN 0.062 nan 8.230 nan 0.000 0.452 467 S N -2.104 113.576 115.700 -0.034 0.000 2.524 467 S HA 0.049 4.514 4.470 -0.008 0.000 0.216 467 S C 0.840 175.445 174.600 0.008 0.000 0.987 467 S CA -0.308 57.881 58.200 -0.017 0.000 0.909 467 S CB 0.003 63.199 63.200 -0.008 0.000 0.781 467 S HN 0.236 nan 8.310 nan 0.000 0.521 468 K N 2.254 122.657 120.400 0.006 0.000 2.258 468 K HA 0.250 4.566 4.320 -0.008 0.000 0.264 468 K C -0.329 176.293 176.600 0.037 0.000 1.007 468 K CA -0.443 55.854 56.287 0.016 0.000 0.941 468 K CB 0.234 32.736 32.500 0.004 0.000 0.966 468 K HN 0.238 nan 8.250 nan 0.000 0.480 469 N N 2.274 121.000 118.700 0.044 0.000 2.503 469 N HA 0.094 4.830 4.740 -0.008 0.000 0.267 469 N C -0.429 175.083 175.510 0.004 0.000 1.214 469 N CA 0.090 53.182 53.050 0.069 0.000 0.959 469 N CB 0.848 39.374 38.487 0.066 0.000 1.142 469 N HN 0.419 nan 8.380 nan 0.000 0.455 470 E N 1.185 121.357 120.200 -0.045 0.000 2.234 470 E HA 0.276 4.621 4.350 -0.008 0.000 0.266 470 E C -0.494 175.946 176.600 -0.267 0.000 0.877 470 E CA -0.539 55.721 56.400 -0.234 0.000 0.758 470 E CB 2.258 31.657 29.700 -0.501 0.000 1.170 470 E HN 0.246 nan 8.360 nan 0.000 0.415 471 R N 2.524 122.911 120.500 -0.188 0.000 2.221 471 R HA 0.367 4.702 4.340 -0.008 0.000 0.327 471 R C -0.050 176.151 176.300 -0.165 0.000 1.033 471 R CA -0.616 55.404 56.100 -0.134 0.000 0.887 471 R CB 0.763 31.022 30.300 -0.068 0.000 1.057 471 R HN 0.315 nan 8.270 nan 0.000 0.455 472 I N 3.447 123.928 120.570 -0.149 0.000 2.315 472 I HA 0.264 4.429 4.170 -0.008 0.000 0.291 472 I C 0.404 176.527 176.117 0.009 0.000 1.006 472 I CA -0.141 61.095 61.300 -0.108 0.000 1.265 472 I CB 1.088 39.029 38.000 -0.099 0.000 1.387 472 I HN 0.578 nan 8.210 nan 0.000 0.475 473 E N 3.786 124.018 120.200 0.054 0.000 2.378 473 E HA 0.238 4.583 4.350 -0.008 0.000 0.265 473 E C 0.126 176.829 176.600 0.171 0.000 0.932 473 E CA -0.621 55.908 56.400 0.214 0.000 0.795 473 E CB 1.761 31.568 29.700 0.178 0.000 1.296 473 E HN 0.546 nan 8.360 nan 0.000 0.438 474 Y N 0.286 120.659 120.300 0.122 0.000 2.403 474 Y HA -0.115 4.430 4.550 -0.008 0.000 0.291 474 Y C 1.212 177.102 175.900 -0.016 0.000 1.143 474 Y CA 1.507 59.590 58.100 -0.029 0.000 1.257 474 Y CB -0.317 37.983 38.460 -0.268 0.000 0.984 474 Y HN 0.415 nan 8.280 nan 0.000 0.550 475 N N 0.022 118.273 118.700 -0.749 0.000 2.148 475 N HA -0.071 4.665 4.740 -0.008 0.000 0.186 475 N C 0.110 175.468 175.510 -0.253 0.000 1.031 475 N CA 0.871 53.538 53.050 -0.638 0.000 0.848 475 N CB -0.174 37.969 38.487 -0.572 0.000 1.005 475 N HN 0.157 nan 8.380 nan 0.000 0.427 476 T N 2.297 116.756 114.554 -0.159 0.000 2.720 476 T HA -0.142 4.204 4.350 -0.008 0.000 0.255 476 T C -0.032 174.634 174.700 -0.057 0.000 1.021 476 T CA 0.824 62.870 62.100 -0.091 0.000 1.145 476 T CB 0.014 68.838 68.868 -0.073 0.000 1.036 476 T HN 0.305 nan 8.240 nan 0.000 0.479 477 Q N 0.998 120.773 119.800 -0.041 0.000 2.544 477 Q HA 0.654 4.989 4.340 -0.008 0.000 0.291 477 Q C -0.407 175.602 176.000 0.015 0.000 1.068 477 Q CA -1.233 54.569 55.803 -0.002 0.000 0.785 477 Q CB 1.451 30.189 28.738 0.001 0.000 1.481 477 Q HN 0.602 nan 8.270 nan 0.000 0.430 478 S N 1.045 116.787 115.700 0.070 0.000 2.584 478 S HA 0.308 4.774 4.470 -0.008 0.000 0.270 478 S C -0.301 174.331 174.600 0.053 0.000 1.346 478 S CA -0.485 57.778 58.200 0.104 0.000 1.018 478 S CB 0.182 63.578 63.200 0.326 0.000 0.899 478 S HN 0.618 nan 8.310 nan 0.000 0.542 479 N N 1.520 120.157 118.700 -0.105 0.000 2.540 479 N HA 0.359 5.094 4.740 -0.008 0.000 0.275 479 N C -2.017 173.298 175.510 -0.325 0.000 1.053 479 N CA -0.182 52.781 53.050 -0.145 0.000 0.876 479 N CB 1.326 39.720 38.487 -0.155 0.000 1.284 479 N HN 0.658 nan 8.380 nan 0.000 0.518 480 Y N 0.984 121.247 120.300 -0.062 0.000 2.457 480 Y HA 0.534 5.080 4.550 -0.007 0.000 0.343 480 Y C 0.029 175.865 175.900 -0.107 0.000 0.994 480 Y CA -0.723 57.346 58.100 -0.052 0.000 1.031 480 Y CB 2.186 40.631 38.460 -0.025 0.000 1.246 480 Y HN 0.287 nan 8.280 nan 0.000 0.449 481 I N 2.679 123.279 120.570 0.050 0.000 2.390 481 I HA 0.232 4.397 4.170 -0.008 0.000 0.283 481 I C -0.522 175.573 176.117 -0.036 0.000 1.016 481 I CA -0.753 60.534 61.300 -0.022 0.000 1.151 481 I CB 1.511 39.502 38.000 -0.015 0.000 1.293 481 I HN 0.553 nan 8.210 nan 0.000 0.458 482 E N 5.256 125.414 120.200 -0.070 0.000 2.220 482 E HA 0.066 4.412 4.350 -0.008 0.000 0.272 482 E C -0.087 176.208 176.600 -0.508 0.000 1.099 482 E CA -0.004 56.291 56.400 -0.176 0.000 0.907 482 E CB 0.324 29.959 29.700 -0.108 0.000 1.022 482 E HN 0.317 nan 8.360 nan 0.000 0.428 483 N N 4.232 122.534 118.700 -0.663 0.000 3.210 483 N HA 0.106 4.841 4.740 -0.008 0.000 0.314 483 N C -1.261 173.750 175.510 -0.832 0.000 1.291 483 N CA 0.165 52.396 53.050 -1.365 0.000 1.202 483 N CB -0.041 38.063 38.487 -0.638 0.000 1.475 483 N HN 0.455 nan 8.380 nan 0.000 0.554 484 D N -0.592 119.460 120.400 -0.581 0.000 2.622 484 D HA 0.523 5.158 4.640 -0.008 0.000 0.255 484 D C -1.856 174.519 176.300 0.125 0.000 1.246 484 D CA -0.599 53.321 54.000 -0.134 0.000 0.795 484 D CB 1.145 41.870 40.800 -0.125 0.000 1.369 484 D HN -0.062 nan 8.370 nan 0.000 0.425 485 F N 1.643 121.576 119.950 -0.027 0.000 2.670 485 F HA 0.374 4.897 4.527 -0.007 0.000 0.332 485 F C -2.352 173.416 175.800 -0.053 0.000 1.179 485 F CA -1.469 56.522 58.000 -0.016 0.000 1.076 485 F CB 1.921 40.927 39.000 0.010 0.000 1.322 485 F HN 0.047 nan 8.300 nan 0.000 0.515 486 P HA 0.004 nan 4.420 nan 0.000 0.254 486 P C 0.996 178.156 177.300 -0.234 0.000 1.186 486 P CA 0.323 63.209 63.100 -0.357 0.000 0.868 486 P CB 0.552 32.007 31.700 -0.407 0.000 0.856 487 I N 4.538 125.066 120.570 -0.069 0.000 2.264 487 I HA -0.297 3.868 4.170 -0.008 0.000 0.248 487 I C 1.518 177.608 176.117 -0.045 0.000 1.111 487 I CA 1.759 63.047 61.300 -0.020 0.000 1.382 487 I CB -0.509 37.475 38.000 -0.027 0.000 1.060 487 I HN 0.171 nan 8.210 nan 0.000 0.418 488 N N 0.336 118.996 118.700 -0.068 0.000 2.331 488 N HA -0.186 4.550 4.740 -0.008 0.000 0.180 488 N C 1.655 177.130 175.510 -0.058 0.000 1.019 488 N CA 1.292 54.307 53.050 -0.059 0.000 0.881 488 N CB -0.207 38.244 38.487 -0.060 0.000 0.972 488 N HN 0.668 nan 8.380 nan 0.000 0.435 489 E N 0.290 120.435 120.200 -0.092 0.000 2.230 489 E HA -0.077 4.269 4.350 -0.008 0.000 0.192 489 E C 1.780 178.380 176.600 -0.002 0.000 0.987 489 E CA 0.341 56.696 56.400 -0.076 0.000 0.841 489 E CB -0.188 29.421 29.700 -0.152 0.000 0.783 489 E HN 0.190 nan 8.360 nan 0.000 0.481 490 L N 1.510 122.763 121.223 0.051 0.000 2.017 490 L HA -0.065 4.270 4.340 -0.008 0.000 0.208 490 L C 2.195 179.083 176.870 0.031 0.000 1.073 490 L CA 1.646 56.565 54.840 0.131 0.000 0.745 490 L CB -0.255 41.871 42.059 0.113 0.000 0.894 490 L HN 0.212 nan 8.230 nan 0.000 0.432 491 I N -0.994 119.575 120.570 -0.003 0.000 2.493 491 I HA -0.258 3.908 4.170 -0.008 0.000 0.254 491 I C 1.799 177.921 176.117 0.007 0.000 1.160 491 I CA 1.047 62.346 61.300 -0.001 0.000 1.445 491 I CB -0.189 37.801 38.000 -0.016 0.000 1.086 491 I HN 0.249 nan 8.210 nan 0.000 0.433 492 L N -0.416 120.809 121.223 0.004 0.000 2.640 492 L HA 0.148 4.484 4.340 -0.008 0.000 0.230 492 L C 0.056 176.936 176.870 0.017 0.000 1.123 492 L CA -0.217 54.626 54.840 0.004 0.000 0.900 492 L CB -0.251 41.803 42.059 -0.009 0.000 1.146 492 L HN 0.036 nan 8.230 nan 0.000 0.484 493 D N 0.132 120.552 120.400 0.033 0.000 2.487 493 D HA -0.044 4.591 4.640 -0.008 0.000 0.243 493 D C 1.151 177.476 176.300 0.042 0.000 1.154 493 D CA 0.598 54.627 54.000 0.048 0.000 0.876 493 D CB 1.163 42.009 40.800 0.076 0.000 1.161 493 D HN -0.040 nan 8.370 nan 0.000 0.478 494 T N 1.562 116.139 114.554 0.038 0.000 3.057 494 T HA -0.000 4.345 4.350 -0.008 0.000 0.254 494 T C 0.674 175.397 174.700 0.038 0.000 1.094 494 T CA 0.322 62.441 62.100 0.033 0.000 1.088 494 T CB 0.266 69.150 68.868 0.027 0.000 0.934 494 T HN 0.384 nan 8.240 nan 0.000 0.497 495 D N 0.111 120.540 120.400 0.048 0.000 2.469 495 D HA 0.205 4.840 4.640 -0.008 0.000 0.213 495 D C 1.600 177.935 176.300 0.058 0.000 1.135 495 D CA -0.081 53.950 54.000 0.052 0.000 0.834 495 D CB 0.586 41.421 40.800 0.058 0.000 1.009 495 D HN 0.193 nan 8.370 nan 0.000 0.507 496 L N 0.870 122.130 121.223 0.062 0.000 1.994 496 L HA -0.034 4.302 4.340 -0.008 0.000 0.208 496 L C 0.506 177.409 176.870 0.057 0.000 1.071 496 L CA 1.491 56.371 54.840 0.066 0.000 0.745 496 L CB -0.064 42.043 42.059 0.079 0.000 0.892 496 L HN -0.165 nan 8.230 nan 0.000 0.431 497 I N 0.886 121.487 120.570 0.052 0.000 2.416 497 I HA 0.073 4.238 4.170 -0.008 0.000 0.288 497 I C 0.859 176.992 176.117 0.026 0.000 1.051 497 I CA 0.213 61.536 61.300 0.040 0.000 1.375 497 I CB 0.042 38.065 38.000 0.038 0.000 1.407 497 I HN 0.183 nan 8.210 nan 0.000 0.516 498 S N 6.163 121.872 115.700 0.015 0.000 2.566 498 S HA 0.059 4.524 4.470 -0.008 0.000 0.280 498 S C 0.865 175.461 174.600 -0.007 0.000 1.343 498 S CA 0.093 58.292 58.200 -0.001 0.000 1.036 498 S CB 0.287 63.473 63.200 -0.024 0.000 0.866 498 S HN 0.767 nan 8.310 nan 0.000 0.526 499 K N 2.605 122.999 120.400 -0.010 0.000 2.589 499 K HA 0.305 4.621 4.320 -0.008 0.000 0.198 499 K C -0.631 175.955 176.600 -0.023 0.000 1.114 499 K CA -0.528 55.752 56.287 -0.012 0.000 1.070 499 K CB 0.180 32.680 32.500 0.001 0.000 0.860 499 K HN 0.333 nan 8.250 nan 0.000 0.536 500 I N 2.689 123.236 120.570 -0.039 0.000 2.353 500 I HA 0.165 4.330 4.170 -0.008 0.000 0.293 500 I C 0.520 176.581 176.117 -0.093 0.000 0.992 500 I CA -0.773 60.492 61.300 -0.058 0.000 1.268 500 I CB 1.161 39.122 38.000 -0.065 0.000 1.387 500 I HN 0.310 nan 8.210 nan 0.000 0.478 501 E N 4.506 124.648 120.200 -0.096 0.000 2.652 501 E HA -0.098 4.248 4.350 -0.008 0.000 0.255 501 E C -0.843 175.646 176.600 -0.185 0.000 0.952 501 E CA -0.263 56.066 56.400 -0.118 0.000 0.947 501 E CB 0.546 30.183 29.700 -0.104 0.000 0.912 501 E HN 0.362 nan 8.360 nan 0.000 0.489 502 L N 7.743 128.869 121.223 -0.162 0.000 2.313 502 L HA 0.341 4.676 4.340 -0.008 0.000 0.282 502 L C -2.295 174.447 176.870 -0.214 0.000 1.092 502 L CA -1.611 53.108 54.840 -0.201 0.000 0.831 502 L CB 0.723 42.704 42.059 -0.129 0.000 1.159 502 L HN 0.491 nan 8.230 nan 0.000 0.442 503 P HA 0.178 nan 4.420 nan 0.000 0.270 503 P C -0.892 176.366 177.300 -0.071 0.000 1.223 503 P CA -0.332 62.592 63.100 -0.294 0.000 0.785 503 P CB 0.389 31.669 31.700 -0.699 0.000 0.923 504 S N 0.159 115.876 115.700 0.027 0.000 2.568 504 S HA -0.004 4.462 4.470 -0.008 0.000 0.282 504 S C 1.064 175.795 174.600 0.219 0.000 1.338 504 S CA -0.146 58.111 58.200 0.096 0.000 1.045 504 S CB 0.382 63.637 63.200 0.091 0.000 0.873 504 S HN 0.647 nan 8.310 nan 0.000 0.516 505 E N 1.315 121.634 120.200 0.198 0.000 2.299 505 E HA -0.032 4.314 4.350 -0.008 0.000 0.193 505 E C -0.136 176.528 176.600 0.107 0.000 0.998 505 E CA -0.100 56.464 56.400 0.272 0.000 0.851 505 E CB -0.131 29.702 29.700 0.221 0.000 0.795 505 E HN 0.539 nan 8.360 nan 0.000 0.492 506 N N 1.470 120.204 118.700 0.057 0.000 2.513 506 N HA 0.095 4.831 4.740 -0.008 0.000 0.268 506 N C -0.488 174.950 175.510 -0.120 0.000 1.180 506 N CA 0.519 53.539 53.050 -0.049 0.000 0.948 506 N CB 1.684 40.167 38.487 -0.007 0.000 1.083 506 N HN 0.150 nan 8.380 nan 0.000 0.455 507 T N 0.055 114.448 114.554 -0.269 0.000 2.645 507 T HA 0.177 4.522 4.350 -0.008 0.000 0.300 507 T C -1.207 173.365 174.700 -0.212 0.000 1.210 507 T CA -0.631 61.297 62.100 -0.288 0.000 1.034 507 T CB 0.792 69.232 68.868 -0.714 0.000 1.537 507 T HN 0.214 nan 8.240 nan 0.000 0.492 508 E N 1.595 121.696 120.200 -0.164 0.000 2.404 508 E HA 0.322 4.667 4.350 -0.008 0.000 0.261 508 E C 0.023 176.537 176.600 -0.143 0.000 1.074 508 E CA 0.069 56.399 56.400 -0.116 0.000 0.917 508 E CB 0.781 30.434 29.700 -0.077 0.000 0.965 508 E HN 0.566 nan 8.360 nan 0.000 0.433 509 S N 1.123 116.763 115.700 -0.101 0.000 2.568 509 S HA 0.017 4.482 4.470 -0.008 0.000 0.282 509 S C 0.235 174.752 174.600 -0.138 0.000 1.338 509 S CA -0.428 57.715 58.200 -0.094 0.000 1.045 509 S CB 0.226 63.405 63.200 -0.035 0.000 0.873 509 S HN 0.316 nan 8.310 nan 0.000 0.516 510 L N 3.718 124.827 121.223 -0.189 0.000 2.331 510 L HA 0.356 4.692 4.340 -0.008 0.000 0.278 510 L C 1.221 177.778 176.870 -0.522 0.000 1.106 510 L CA 0.617 55.253 54.840 -0.340 0.000 0.824 510 L CB 0.827 42.652 42.059 -0.391 0.000 1.142 510 L HN 0.850 nan 8.230 nan 0.000 0.443 511 T N -1.050 113.216 114.554 -0.481 0.000 2.959 511 T HA 0.191 4.536 4.350 -0.008 0.000 0.254 511 T C 0.305 174.733 174.700 -0.454 0.000 1.003 511 T CA -0.036 61.826 62.100 -0.396 0.000 0.950 511 T CB -0.141 68.656 68.868 -0.118 0.000 1.090 511 T HN 0.526 nan 8.240 nan 0.000 0.503 512 D N 0.844 120.968 120.400 -0.460 0.000 2.443 512 D HA 0.305 4.941 4.640 -0.008 0.000 0.221 512 D C -0.539 175.556 176.300 -0.342 0.000 1.097 512 D CA -1.264 52.581 54.000 -0.258 0.000 0.865 512 D CB 0.113 40.825 40.800 -0.148 0.000 1.034 512 D HN 0.260 nan 8.370 nan 0.000 0.511 513 F N 1.699 121.640 119.950 -0.016 0.000 2.692 513 F HA 0.146 4.668 4.527 -0.008 0.000 0.303 513 F C 1.187 176.982 175.800 -0.009 0.000 1.114 513 F CA -0.695 57.296 58.000 -0.015 0.000 1.361 513 F CB -0.447 38.544 39.000 -0.015 0.000 1.063 513 F HN 0.213 nan 8.300 nan 0.000 0.550 514 N N 1.743 120.507 118.700 0.107 0.000 2.411 514 N HA 0.172 4.908 4.740 -0.008 0.000 0.261 514 N C -0.802 174.739 175.510 0.051 0.000 1.248 514 N CA 0.455 53.542 53.050 0.062 0.000 0.885 514 N CB 0.627 39.126 38.487 0.019 0.000 1.062 514 N HN 0.057 nan 8.380 nan 0.000 0.471 515 V N 2.791 122.737 119.914 0.053 0.000 3.177 515 V HA 0.257 4.372 4.120 -0.008 0.000 0.287 515 V C -1.837 174.264 176.094 0.011 0.000 1.465 515 V CA -0.984 61.351 62.300 0.059 0.000 1.020 515 V CB 2.154 34.073 31.823 0.160 0.000 1.152 515 V HN 0.675 nan 8.190 nan 0.000 0.448 516 D N 3.684 124.067 120.400 -0.029 0.000 2.280 516 D HA 0.470 5.105 4.640 -0.008 0.000 0.243 516 D C -0.421 175.736 176.300 -0.239 0.000 1.129 516 D CA 0.111 54.042 54.000 -0.114 0.000 0.848 516 D CB 1.958 42.675 40.800 -0.139 0.000 1.107 516 D HN 0.364 nan 8.370 nan 0.000 0.471 517 V N 4.512 124.218 119.914 -0.347 0.000 2.347 517 V HA 0.262 4.377 4.120 -0.008 0.000 0.280 517 V C -1.913 173.874 176.094 -0.512 0.000 1.021 517 V CA -1.514 60.384 62.300 -0.669 0.000 0.847 517 V CB 1.189 32.713 31.823 -0.499 0.000 0.990 517 V HN 0.366 nan 8.190 nan 0.000 0.444 518 P HA 0.236 nan 4.420 nan 0.000 0.269 518 P C -0.852 176.015 177.300 -0.721 0.000 1.209 518 P CA -0.070 62.686 63.100 -0.572 0.000 0.776 518 P CB 0.611 31.961 31.700 -0.583 0.000 0.876 519 V N 3.266 122.769 119.914 -0.686 0.000 2.487 519 V HA 0.363 4.479 4.120 -0.008 0.000 0.298 519 V C -0.691 175.053 176.094 -0.583 0.000 1.028 519 V CA -0.483 61.499 62.300 -0.529 0.000 0.860 519 V CB 0.792 32.462 31.823 -0.255 0.000 0.991 519 V HN 0.421 nan 8.190 nan 0.000 0.427 520 Y N 2.575 122.761 120.300 -0.190 0.000 2.528 520 Y HA 0.765 5.310 4.550 -0.008 0.000 0.335 520 Y C 0.353 176.366 175.900 0.190 0.000 1.093 520 Y CA -0.866 57.201 58.100 -0.055 0.000 1.134 520 Y CB 1.850 40.130 38.460 -0.301 0.000 1.253 520 Y HN 0.744 nan 8.280 nan 0.000 0.478 521 E N 0.325 120.816 120.200 0.485 0.000 2.363 521 E HA 0.403 4.749 4.350 -0.008 0.000 0.281 521 E C -1.839 174.795 176.600 0.057 0.000 0.953 521 E CA -1.262 55.305 56.400 0.279 0.000 0.778 521 E CB 1.683 31.449 29.700 0.110 0.000 1.220 521 E HN 0.494 nan 8.360 nan 0.000 0.431 522 K N 1.470 121.663 120.400 -0.346 0.000 2.180 522 K HA 0.118 4.433 4.320 -0.008 0.000 0.251 522 K C 0.050 176.535 176.600 -0.190 0.000 1.014 522 K CA -0.073 55.913 56.287 -0.502 0.000 0.913 522 K CB 0.601 32.734 32.500 -0.611 0.000 1.008 522 K HN 0.639 nan 8.250 nan 0.000 0.490 523 Q N -0.251 119.461 119.800 -0.147 0.000 2.484 523 Q HA 0.471 4.807 4.340 -0.008 0.000 0.285 523 Q C -2.895 173.080 176.000 -0.042 0.000 1.097 523 Q CA -2.570 53.188 55.803 -0.074 0.000 0.802 523 Q CB 1.375 30.071 28.738 -0.069 0.000 1.444 523 Q HN 0.151 nan 8.270 nan 0.000 0.429 524 P HA -0.040 nan 4.420 nan 0.000 0.264 524 P C -0.370 177.024 177.300 0.156 0.000 1.183 524 P CA 0.545 63.678 63.100 0.054 0.000 0.763 524 P CB 0.594 32.334 31.700 0.066 0.000 0.807 525 A N 4.044 126.935 122.820 0.119 0.000 2.208 525 A HA 0.127 4.442 4.320 -0.008 0.000 0.209 525 A C 0.733 178.375 177.584 0.096 0.000 1.161 525 A CA 0.804 52.952 52.037 0.184 0.000 0.782 525 A CB -0.485 18.562 19.000 0.078 0.000 0.816 525 A HN 0.513 nan 8.150 nan 0.000 0.477 526 I N -0.430 120.162 120.570 0.036 0.000 2.534 526 I HA 0.281 4.447 4.170 -0.008 0.000 0.288 526 I C -0.588 175.495 176.117 -0.057 0.000 1.077 526 I CA -0.576 60.668 61.300 -0.093 0.000 1.051 526 I CB 2.297 40.249 38.000 -0.080 0.000 1.234 526 I HN 0.009 nan 8.210 nan 0.000 0.425 527 K N 6.665 126.977 120.400 -0.147 0.000 2.358 527 K HA 0.405 4.721 4.320 -0.008 0.000 0.260 527 K C -0.912 175.628 176.600 -0.100 0.000 0.956 527 K CA -0.729 55.524 56.287 -0.056 0.000 0.834 527 K CB 1.715 34.221 32.500 0.010 0.000 1.102 527 K HN 0.515 nan 8.250 nan 0.000 0.431 528 K N 6.169 126.530 120.400 -0.064 0.000 2.201 528 K HA 0.327 4.642 4.320 -0.008 0.000 0.278 528 K C -0.370 176.184 176.600 -0.077 0.000 1.027 528 K CA -0.569 55.650 56.287 -0.114 0.000 0.909 528 K CB 0.523 32.967 32.500 -0.094 0.000 1.062 528 K HN 0.657 nan 8.250 nan 0.000 0.465 529 I N -0.337 120.125 120.570 -0.180 0.000 3.145 529 I HA 0.584 4.749 4.170 -0.008 0.000 0.313 529 I C -1.368 174.571 176.117 -0.297 0.000 1.122 529 I CA -1.213 60.042 61.300 -0.074 0.000 0.987 529 I CB 1.597 39.576 38.000 -0.035 0.000 1.236 529 I HN 0.352 nan 8.210 nan 0.000 0.453 530 F N 0.895 120.786 119.950 -0.098 0.000 2.507 530 F HA 0.778 5.300 4.527 -0.008 0.000 0.325 530 F C 0.218 175.911 175.800 -0.179 0.000 1.116 530 F CA -0.487 57.443 58.000 -0.117 0.000 0.930 530 F CB 2.181 41.135 39.000 -0.077 0.000 1.146 530 F HN 0.664 nan 8.300 nan 0.000 0.447 531 T N 1.601 116.092 114.554 -0.106 0.000 3.087 531 T HA 0.225 4.570 4.350 -0.008 0.000 0.351 531 T C -0.949 173.665 174.700 -0.143 0.000 1.520 531 T CA -0.674 61.292 62.100 -0.223 0.000 1.111 531 T CB 1.077 69.528 68.868 -0.695 0.000 1.353 531 T HN 0.597 nan 8.240 nan 0.000 0.481 532 D N 2.155 122.515 120.400 -0.066 0.000 2.402 532 D HA 0.140 4.775 4.640 -0.008 0.000 0.216 532 D C 0.188 176.504 176.300 0.027 0.000 1.128 532 D CA -0.104 53.894 54.000 -0.004 0.000 0.833 532 D CB 0.689 41.507 40.800 0.029 0.000 0.971 532 D HN 0.526 nan 8.370 nan 0.000 0.503 533 E N 1.317 121.512 120.200 -0.009 0.000 2.354 533 E HA 0.142 4.487 4.350 -0.008 0.000 0.269 533 E C 0.104 176.798 176.600 0.156 0.000 1.036 533 E CA 0.117 56.572 56.400 0.091 0.000 0.876 533 E CB 0.881 30.683 29.700 0.170 0.000 1.009 533 E HN -0.019 nan 8.360 nan 0.000 0.416 534 N N 2.079 120.886 118.700 0.178 0.000 2.800 534 N HA 0.115 4.850 4.740 -0.008 0.000 0.240 534 N C -0.204 175.386 175.510 0.133 0.000 1.096 534 N CA -0.048 53.137 53.050 0.224 0.000 0.877 534 N CB 1.487 40.109 38.487 0.226 0.000 1.138 534 N HN 0.342 nan 8.380 nan 0.000 0.509 535 T N 0.010 114.680 114.554 0.194 0.000 2.780 535 T HA 0.374 4.720 4.350 -0.008 0.000 0.263 535 T C 1.736 176.421 174.700 -0.026 0.000 0.993 535 T CA -0.647 61.463 62.100 0.017 0.000 1.010 535 T CB 0.620 69.534 68.868 0.077 0.000 1.642 535 T HN 0.300 nan 8.240 nan 0.000 0.587 536 I N 0.058 120.487 120.570 -0.234 0.000 2.181 536 I HA -0.225 3.941 4.170 -0.008 0.000 0.247 536 I C 1.801 177.837 176.117 -0.134 0.000 1.081 536 I CA 2.070 63.204 61.300 -0.277 0.000 1.340 536 I CB -0.204 37.528 38.000 -0.445 0.000 1.036 536 I HN 0.672 nan 8.210 nan 0.000 0.417 537 F N 0.362 120.458 119.950 0.244 0.000 2.146 537 F HA -0.221 4.301 4.527 -0.007 0.000 0.298 537 F C 2.578 178.546 175.800 0.281 0.000 1.096 537 F CA 0.906 59.048 58.000 0.237 0.000 1.275 537 F CB -0.800 38.330 39.000 0.216 0.000 1.008 537 F HN 0.083 nan 8.300 nan 0.000 0.480 538 Q N -0.572 119.517 119.800 0.482 0.000 2.083 538 Q HA -0.133 4.203 4.340 -0.008 0.000 0.198 538 Q C 1.990 178.334 176.000 0.574 0.000 0.969 538 Q CA 1.358 57.457 55.803 0.494 0.000 0.838 538 Q CB -0.808 28.237 28.738 0.512 0.000 0.900 538 Q HN 0.418 nan 8.270 nan 0.000 0.436 539 Y N 0.196 120.657 120.300 0.268 0.000 2.224 539 Y HA -0.135 4.410 4.550 -0.007 0.000 0.289 539 Y C 1.851 177.942 175.900 0.318 0.000 1.146 539 Y CA 0.941 59.172 58.100 0.219 0.000 1.182 539 Y CB -0.185 38.246 38.460 -0.048 0.000 0.983 539 Y HN 0.068 nan 8.280 nan 0.000 0.524 540 L N -1.929 119.548 121.223 0.423 0.000 2.093 540 L HA -0.255 4.080 4.340 -0.008 0.000 0.208 540 L C 2.217 179.270 176.870 0.306 0.000 1.085 540 L CA 1.368 56.458 54.840 0.416 0.000 0.755 540 L CB -0.650 41.659 42.059 0.417 0.000 0.904 540 L HN 0.235 nan 8.230 nan 0.000 0.435 541 Y N 0.972 121.379 120.300 0.179 0.000 2.181 541 Y HA -0.280 4.265 4.550 -0.008 0.000 0.288 541 Y C 2.858 178.756 175.900 -0.004 0.000 1.146 541 Y CA 1.453 59.586 58.100 0.054 0.000 1.164 541 Y CB -0.301 38.215 38.460 0.093 0.000 0.982 541 Y HN 0.251 nan 8.280 nan 0.000 0.515 542 S N -0.569 115.164 115.700 0.055 0.000 2.537 542 S HA -0.177 4.289 4.470 -0.008 0.000 0.240 542 S C 1.288 175.872 174.600 -0.025 0.000 0.981 542 S CA 1.144 59.284 58.200 -0.099 0.000 0.948 542 S CB -0.464 62.662 63.200 -0.123 0.000 0.759 542 S HN 0.713 nan 8.310 nan 0.000 0.531 543 Q N 1.458 121.250 119.800 -0.014 0.000 2.220 543 Q HA 0.179 4.514 4.340 -0.008 0.000 0.205 543 Q C 0.461 176.311 176.000 -0.251 0.000 0.865 543 Q CA 0.280 56.081 55.803 -0.004 0.000 0.960 543 Q CB 0.734 29.584 28.738 0.185 0.000 1.097 543 Q HN 0.794 nan 8.270 nan 0.000 0.493 544 T N -1.776 112.541 114.554 -0.395 0.000 2.938 544 T HA 0.718 5.064 4.350 -0.008 0.000 0.285 544 T C -0.455 174.140 174.700 -0.175 0.000 1.028 544 T CA -0.842 60.984 62.100 -0.457 0.000 1.005 544 T CB 1.273 69.764 68.868 -0.629 0.000 1.157 544 T HN 0.152 nan 8.240 nan 0.000 0.550 545 F N -2.271 117.534 119.950 -0.241 0.000 2.654 545 F HA 0.773 5.295 4.527 -0.008 0.000 0.308 545 F C -3.230 172.502 175.800 -0.114 0.000 1.108 545 F CA -2.563 55.335 58.000 -0.169 0.000 0.957 545 F CB -0.362 38.568 39.000 -0.117 0.000 1.309 545 F HN 0.435 nan 8.300 nan 0.000 0.446 546 P HA 0.277 nan 4.420 nan 0.000 0.269 546 P C 0.723 178.057 177.300 0.055 0.000 1.215 546 P CA -0.451 62.657 63.100 0.013 0.000 0.780 546 P CB 0.905 32.630 31.700 0.042 0.000 0.898 547 L N 1.078 122.300 121.223 -0.001 0.000 2.201 547 L HA -0.125 4.211 4.340 -0.008 0.000 0.212 547 L C 1.506 178.421 176.870 0.075 0.000 1.105 547 L CA 1.295 56.151 54.840 0.027 0.000 0.775 547 L CB -0.632 41.427 42.059 -0.000 0.000 0.913 547 L HN 0.496 nan 8.230 nan 0.000 0.440 548 D N -0.680 119.758 120.400 0.062 0.000 2.349 548 D HA -0.012 4.624 4.640 -0.008 0.000 0.224 548 D C 0.616 176.952 176.300 0.061 0.000 1.029 548 D CA 0.295 54.328 54.000 0.055 0.000 0.879 548 D CB 0.186 41.007 40.800 0.035 0.000 0.906 548 D HN 0.049 nan 8.370 nan 0.000 0.528 549 I N 1.259 121.886 120.570 0.096 0.000 2.441 549 I HA 0.298 4.464 4.170 -0.008 0.000 0.295 549 I C 1.369 177.519 176.117 0.054 0.000 0.994 549 I CA -0.609 60.725 61.300 0.058 0.000 1.144 549 I CB 2.037 40.074 38.000 0.062 0.000 1.314 549 I HN 0.057 nan 8.210 nan 0.000 0.445 550 R N 1.838 122.302 120.500 -0.059 0.000 2.517 550 R HA 0.242 4.578 4.340 -0.008 0.000 0.265 550 R C -0.465 175.621 176.300 -0.356 0.000 0.921 550 R CA -0.279 55.769 56.100 -0.087 0.000 1.054 550 R CB 0.462 30.799 30.300 0.063 0.000 1.340 550 R HN 0.423 nan 8.270 nan 0.000 0.551 551 D N 2.512 122.580 120.400 -0.552 0.000 2.454 551 D HA 0.309 4.944 4.640 -0.008 0.000 0.225 551 D C -0.151 175.833 176.300 -0.527 0.000 1.081 551 D CA -0.706 52.741 54.000 -0.922 0.000 0.864 551 D CB 0.903 40.999 40.800 -1.174 0.000 1.040 551 D HN 0.406 nan 8.370 nan 0.000 0.517 552 I N -0.006 120.286 120.570 -0.464 0.000 3.067 552 I HA 0.773 4.939 4.170 -0.008 0.000 0.312 552 I C -0.703 175.273 176.117 -0.236 0.000 1.073 552 I CA -1.019 60.072 61.300 -0.347 0.000 1.016 552 I CB 2.255 39.975 38.000 -0.467 0.000 1.227 552 I HN 0.291 nan 8.210 nan 0.000 0.456 553 S N 3.288 118.888 115.700 -0.166 0.000 2.541 553 S HA 0.666 5.131 4.470 -0.008 0.000 0.280 553 S C -0.802 173.756 174.600 -0.070 0.000 1.112 553 S CA -0.905 57.232 58.200 -0.105 0.000 0.925 553 S CB 1.575 64.716 63.200 -0.099 0.000 1.067 553 S HN 0.678 nan 8.310 nan 0.000 0.479 554 L N 2.027 123.223 121.223 -0.045 0.000 2.439 554 L HA 0.718 5.054 4.340 -0.008 0.000 0.261 554 L C 0.621 177.491 176.870 0.000 0.000 1.153 554 L CA -0.301 54.527 54.840 -0.020 0.000 0.808 554 L CB 1.481 43.531 42.059 -0.016 0.000 1.126 554 L HN 0.913 nan 8.230 nan 0.000 0.460 555 T N -1.291 113.281 114.554 0.029 0.000 2.889 555 T HA 0.226 4.571 4.350 -0.008 0.000 0.315 555 T C 0.391 175.158 174.700 0.111 0.000 1.291 555 T CA -0.180 61.962 62.100 0.070 0.000 1.028 555 T CB 1.571 70.496 68.868 0.094 0.000 1.235 555 T HN 0.673 nan 8.240 nan 0.000 0.491 556 S N 1.593 117.376 115.700 0.138 0.000 2.575 556 S HA 0.211 4.677 4.470 -0.008 0.000 0.215 556 S C 0.898 175.726 174.600 0.379 0.000 0.966 556 S CA -0.073 58.246 58.200 0.200 0.000 0.911 556 S CB 0.086 63.380 63.200 0.157 0.000 0.780 556 S HN 0.595 nan 8.310 nan 0.000 0.514 557 S N 1.192 117.076 115.700 0.306 0.000 2.399 557 S HA 0.375 4.841 4.470 -0.008 0.000 0.301 557 S C 0.388 175.120 174.600 0.219 0.000 1.093 557 S CA -0.919 57.434 58.200 0.255 0.000 1.077 557 S CB -0.264 63.032 63.200 0.161 0.000 0.980 557 S HN 0.406 nan 8.310 nan 0.000 0.494 558 F N 5.142 125.048 119.950 -0.073 0.000 2.134 558 F HA -0.100 4.423 4.527 -0.007 0.000 0.299 558 F C 1.672 177.331 175.800 -0.235 0.000 1.097 558 F CA 1.909 59.616 58.000 -0.487 0.000 1.264 558 F CB -0.184 38.292 39.000 -0.873 0.000 1.001 558 F HN 0.595 nan 8.300 nan 0.000 0.479 559 D N 0.461 120.743 120.400 -0.196 0.000 2.104 559 D HA -0.192 4.444 4.640 -0.008 0.000 0.194 559 D C 1.775 177.941 176.300 -0.222 0.000 0.994 559 D CA 1.758 55.614 54.000 -0.240 0.000 0.830 559 D CB -0.552 40.238 40.800 -0.016 0.000 0.959 559 D HN 0.355 nan 8.370 nan 0.000 0.452 560 D N 0.664 121.030 120.400 -0.056 0.000 2.144 560 D HA -0.065 4.570 4.640 -0.008 0.000 0.200 560 D C 2.054 178.376 176.300 0.036 0.000 0.978 560 D CA 1.084 55.132 54.000 0.080 0.000 0.833 560 D CB -0.339 40.592 40.800 0.218 0.000 0.961 560 D HN 0.127 nan 8.370 nan 0.000 0.470 561 A N 0.513 123.294 122.820 -0.065 0.000 1.940 561 A HA -0.131 4.184 4.320 -0.008 0.000 0.219 561 A C 2.305 179.764 177.584 -0.209 0.000 1.176 561 A CA 0.926 52.910 52.037 -0.088 0.000 0.631 561 A CB -0.715 18.247 19.000 -0.064 0.000 0.814 561 A HN 0.225 nan 8.150 nan 0.000 0.446 562 L N -1.364 119.626 121.223 -0.389 0.000 2.109 562 L HA -0.116 4.220 4.340 -0.008 0.000 0.207 562 L C 2.533 179.255 176.870 -0.247 0.000 1.086 562 L CA 0.818 55.457 54.840 -0.336 0.000 0.760 562 L CB -0.371 41.409 42.059 -0.464 0.000 0.910 562 L HN 0.440 nan 8.230 nan 0.000 0.437 563 L N -0.514 120.512 121.223 -0.328 0.000 2.023 563 L HA -0.019 4.316 4.340 -0.008 0.000 0.205 563 L C 0.330 176.876 176.870 -0.540 0.000 1.073 563 L CA 1.489 56.024 54.840 -0.509 0.000 0.745 563 L CB -0.235 41.346 42.059 -0.795 0.000 0.900 563 L HN -0.134 nan 8.230 nan 0.000 0.435 564 F N -0.460 119.443 119.950 -0.078 0.000 2.410 564 F HA 0.231 4.753 4.527 -0.008 0.000 0.349 564 F C 1.745 177.501 175.800 -0.073 0.000 1.117 564 F CA -0.012 57.949 58.000 -0.065 0.000 1.104 564 F CB 0.941 39.904 39.000 -0.060 0.000 1.122 564 F HN 0.022 nan 8.300 nan 0.000 0.483 565 S N 0.875 116.638 115.700 0.106 0.000 2.419 565 S HA -0.225 4.241 4.470 -0.008 0.000 0.233 565 S C 1.363 175.981 174.600 0.029 0.000 1.016 565 S CA 1.317 59.541 58.200 0.040 0.000 0.974 565 S CB -0.467 62.753 63.200 0.033 0.000 0.786 565 S HN 0.774 nan 8.310 nan 0.000 0.492 566 N N 0.933 119.650 118.700 0.028 0.000 2.322 566 N HA 0.071 4.807 4.740 -0.008 0.000 0.194 566 N C -0.406 175.064 175.510 -0.068 0.000 1.126 566 N CA -0.034 52.981 53.050 -0.059 0.000 0.845 566 N CB -0.037 38.393 38.487 -0.094 0.000 0.976 566 N HN 0.214 nan 8.380 nan 0.000 0.475 567 K N 0.968 121.371 120.400 0.005 0.000 2.274 567 K HA 0.411 4.727 4.320 -0.008 0.000 0.262 567 K C -0.944 175.661 176.600 0.009 0.000 0.961 567 K CA -0.722 55.572 56.287 0.012 0.000 0.833 567 K CB 2.817 35.376 32.500 0.097 0.000 1.102 567 K HN -0.151 nan 8.250 nan 0.000 0.436 568 V N 3.679 123.595 119.914 0.004 0.000 2.540 568 V HA 0.193 4.309 4.120 -0.008 0.000 0.302 568 V C -0.604 175.541 176.094 0.085 0.000 1.035 568 V CA -1.121 61.200 62.300 0.034 0.000 0.873 568 V CB 1.308 33.144 31.823 0.022 0.000 0.992 568 V HN 0.623 nan 8.190 nan 0.000 0.428 569 Y N 3.519 123.811 120.300 -0.013 0.000 2.425 569 Y HA 0.470 5.015 4.550 -0.008 0.000 0.331 569 Y C 0.503 176.419 175.900 0.027 0.000 1.157 569 Y CA 0.471 58.587 58.100 0.027 0.000 1.372 569 Y CB 1.185 39.680 38.460 0.057 0.000 1.253 569 Y HN 0.647 nan 8.280 nan 0.000 0.536 570 S N 6.061 121.350 115.700 -0.685 0.000 2.557 570 S HA 0.396 4.862 4.470 -0.008 0.000 0.291 570 S C -0.278 173.774 174.600 -0.913 0.000 1.116 570 S CA -0.785 56.979 58.200 -0.727 0.000 0.992 570 S CB 0.071 63.088 63.200 -0.305 0.000 1.028 570 S HN 0.629 nan 8.310 nan 0.000 0.484 571 F N 2.587 122.103 119.950 -0.724 0.000 2.693 571 F HA 0.544 5.067 4.527 -0.008 0.000 0.303 571 F C 0.001 175.685 175.800 -0.193 0.000 1.097 571 F CA -1.006 56.741 58.000 -0.421 0.000 1.330 571 F CB -0.464 38.384 39.000 -0.253 0.000 1.067 571 F HN 0.325 nan 8.300 nan 0.000 0.565 572 F N 1.191 120.828 119.950 -0.521 0.000 2.362 572 F HA 0.343 4.866 4.527 -0.008 0.000 0.311 572 F C 1.493 177.214 175.800 -0.131 0.000 1.161 572 F CA -1.167 56.570 58.000 -0.438 0.000 1.085 572 F CB 0.802 39.296 39.000 -0.843 0.000 1.311 572 F HN 0.001 nan 8.300 nan 0.000 0.524 573 S N 1.152 116.925 115.700 0.122 0.000 2.572 573 S HA -0.099 4.366 4.470 -0.008 0.000 0.267 573 S C 0.911 175.603 174.600 0.154 0.000 1.361 573 S CA -0.619 57.651 58.200 0.118 0.000 1.009 573 S CB 0.642 63.879 63.200 0.060 0.000 0.888 573 S HN 0.871 nan 8.310 nan 0.000 0.553 574 M N 0.434 120.101 119.600 0.111 0.000 2.159 574 M HA -0.144 4.332 4.480 -0.008 0.000 0.263 574 M C 1.718 178.068 176.300 0.083 0.000 1.063 574 M CA 2.502 57.858 55.300 0.094 0.000 1.110 574 M CB -0.649 31.998 32.600 0.078 0.000 1.374 574 M HN 0.990 nan 8.290 nan 0.000 0.411 575 D N -0.883 119.565 120.400 0.081 0.000 2.144 575 D HA -0.241 4.394 4.640 -0.008 0.000 0.200 575 D C 1.860 178.202 176.300 0.069 0.000 0.978 575 D CA 1.328 55.365 54.000 0.063 0.000 0.833 575 D CB -0.314 40.516 40.800 0.050 0.000 0.961 575 D HN 0.533 nan 8.370 nan 0.000 0.470 576 Y N 0.969 121.262 120.300 -0.011 0.000 2.128 576 Y HA -0.148 4.398 4.550 -0.007 0.000 0.284 576 Y C 1.912 177.831 175.900 0.031 0.000 1.154 576 Y CA 1.671 59.761 58.100 -0.015 0.000 1.149 576 Y CB -0.372 38.058 38.460 -0.050 0.000 0.976 576 Y HN 0.049 nan 8.280 nan 0.000 0.505 577 I N 0.284 120.842 120.570 -0.021 0.000 2.226 577 I HA -0.321 3.844 4.170 -0.008 0.000 0.245 577 I C 2.387 178.454 176.117 -0.085 0.000 1.100 577 I CA 1.684 62.933 61.300 -0.086 0.000 1.374 577 I CB -0.427 37.602 38.000 0.049 0.000 1.057 577 I HN 0.202 nan 8.210 nan 0.000 0.413 578 K N 0.198 120.583 120.400 -0.025 0.000 2.057 578 K HA -0.122 4.193 4.320 -0.008 0.000 0.206 578 K C 2.097 178.706 176.600 0.015 0.000 1.050 578 K CA 1.864 58.151 56.287 0.000 0.000 0.935 578 K CB -0.262 32.251 32.500 0.021 0.000 0.715 578 K HN 0.292 nan 8.250 nan 0.000 0.439 579 T N 0.984 115.540 114.554 0.003 0.000 2.867 579 T HA -0.100 4.245 4.350 -0.008 0.000 0.268 579 T C 1.939 176.763 174.700 0.206 0.000 1.057 579 T CA 1.194 63.351 62.100 0.094 0.000 1.136 579 T CB -0.166 68.711 68.868 0.015 0.000 0.874 579 T HN 0.294 nan 8.240 nan 0.000 0.466 580 A N 2.465 125.260 122.820 -0.043 0.000 1.972 580 A HA -0.089 4.227 4.320 -0.008 0.000 0.219 580 A C 1.995 179.698 177.584 0.199 0.000 1.169 580 A CA 1.142 53.198 52.037 0.030 0.000 0.635 580 A CB -0.349 18.464 19.000 -0.312 0.000 0.810 580 A HN 0.397 nan 8.150 nan 0.000 0.446 581 N N -0.229 118.513 118.700 0.071 0.000 2.383 581 N HA 0.033 4.768 4.740 -0.008 0.000 0.192 581 N C 0.251 175.755 175.510 -0.010 0.000 1.141 581 N CA 0.221 53.285 53.050 0.023 0.000 0.851 581 N CB 0.045 38.522 38.487 -0.016 0.000 0.976 581 N HN 0.538 nan 8.380 nan 0.000 0.465 582 K N 1.141 121.556 120.400 0.024 0.000 2.350 582 K HA 0.219 4.534 4.320 -0.008 0.000 0.279 582 K C -0.644 175.756 176.600 -0.333 0.000 1.027 582 K CA -0.106 56.127 56.287 -0.089 0.000 0.969 582 K CB 0.819 33.339 32.500 0.034 0.000 0.954 582 K HN -0.263 nan 8.250 nan 0.000 0.474 583 V N 5.638 125.412 119.914 -0.234 0.000 2.459 583 V HA 0.370 4.486 4.120 -0.008 0.000 0.295 583 V C -0.163 175.825 176.094 -0.176 0.000 1.029 583 V CA -0.696 61.457 62.300 -0.245 0.000 0.874 583 V CB 1.217 32.952 31.823 -0.147 0.000 0.985 583 V HN 0.675 nan 8.190 nan 0.000 0.438 584 V N 1.244 121.072 119.914 -0.144 0.000 3.158 584 V HA 0.739 4.854 4.120 -0.008 0.000 0.311 584 V C -0.411 175.744 176.094 0.101 0.000 1.181 584 V CA -0.964 61.330 62.300 -0.010 0.000 1.054 584 V CB 2.182 34.020 31.823 0.024 0.000 1.085 584 V HN 0.648 nan 8.190 nan 0.000 0.446 585 E N 0.604 120.854 120.200 0.084 0.000 2.373 585 E HA 0.464 4.810 4.350 -0.008 0.000 0.263 585 E C 1.314 177.918 176.600 0.006 0.000 1.073 585 E CA 0.415 56.854 56.400 0.065 0.000 0.894 585 E CB 1.647 31.359 29.700 0.019 0.000 1.008 585 E HN 0.966 nan 8.360 nan 0.000 0.420 586 A N 2.978 125.653 122.820 -0.241 0.000 1.927 586 A HA -0.220 4.095 4.320 -0.008 0.000 0.220 586 A C 2.001 179.467 177.584 -0.196 0.000 1.185 586 A CA 2.371 54.032 52.037 -0.627 0.000 0.639 586 A CB -1.018 17.550 19.000 -0.720 0.000 0.820 586 A HN 0.689 nan 8.150 nan 0.000 0.451 587 G N -1.106 107.637 108.800 -0.095 0.000 2.498 587 G HA2 0.033 3.989 3.960 -0.008 0.000 0.219 587 G HA3 0.033 3.989 3.960 -0.008 0.000 0.219 587 G C 1.212 176.135 174.900 0.038 0.000 1.119 587 G CA 0.956 46.043 45.100 -0.021 0.000 0.766 587 G HN 0.479 nan 8.290 nan 0.000 0.552 588 L N -1.000 120.269 121.223 0.077 0.000 2.766 588 L HA 0.375 4.710 4.340 -0.008 0.000 0.242 588 L C 1.834 178.843 176.870 0.231 0.000 1.136 588 L CA -0.462 54.452 54.840 0.124 0.000 0.933 588 L CB 0.107 42.229 42.059 0.105 0.000 1.241 588 L HN 0.095 nan 8.230 nan 0.000 0.522 589 F N 1.747 121.751 119.950 0.090 0.000 2.146 589 F HA -0.127 4.396 4.527 -0.007 0.000 0.298 589 F C 2.398 178.346 175.800 0.247 0.000 1.096 589 F CA 1.359 59.488 58.000 0.215 0.000 1.275 589 F CB -0.022 39.112 39.000 0.223 0.000 1.008 589 F HN 0.059 nan 8.300 nan 0.000 0.480 590 A N 0.032 122.926 122.820 0.123 0.000 1.972 590 A HA -0.035 4.280 4.320 -0.008 0.000 0.219 590 A C 2.477 180.022 177.584 -0.066 0.000 1.169 590 A CA 1.616 53.635 52.037 -0.030 0.000 0.635 590 A CB -1.728 17.289 19.000 0.028 0.000 0.810 590 A HN 0.487 nan 8.150 nan 0.000 0.446 591 G N -1.669 107.140 108.800 0.015 0.000 2.402 591 G HA2 -0.243 3.713 3.960 -0.008 0.000 0.216 591 G HA3 -0.243 3.713 3.960 -0.008 0.000 0.216 591 G C 1.388 176.289 174.900 0.001 0.000 1.162 591 G CA 0.981 46.086 45.100 0.008 0.000 0.777 591 G HN 0.710 nan 8.290 nan 0.000 0.539 592 W N 1.160 122.381 121.300 -0.132 0.000 2.358 592 W HA -0.072 4.584 4.660 -0.007 0.000 0.303 592 W C 2.332 178.712 176.519 -0.232 0.000 1.208 592 W CA 1.596 58.855 57.345 -0.143 0.000 1.274 592 W CB -0.302 29.104 29.460 -0.091 0.000 1.138 592 W HN 0.026 nan 8.180 nan 0.000 0.515 593 V N 1.569 121.230 119.914 -0.422 0.000 2.295 593 V HA -0.345 3.770 4.120 -0.008 0.000 0.246 593 V C 2.542 178.320 176.094 -0.528 0.000 1.049 593 V CA 2.445 64.335 62.300 -0.683 0.000 1.024 593 V CB -1.070 30.398 31.823 -0.592 0.000 0.648 593 V HN 0.232 nan 8.190 nan 0.000 0.447 594 K N -0.280 119.914 120.400 -0.343 0.000 2.057 594 K HA -0.266 4.050 4.320 -0.008 0.000 0.207 594 K C 2.293 178.742 176.600 -0.251 0.000 1.049 594 K CA 1.952 58.090 56.287 -0.250 0.000 0.931 594 K CB -0.124 32.279 32.500 -0.162 0.000 0.714 594 K HN 0.548 nan 8.250 nan 0.000 0.440 595 Q N 0.392 120.023 119.800 -0.281 0.000 2.020 595 Q HA -0.179 4.156 4.340 -0.008 0.000 0.202 595 Q C 2.119 177.935 176.000 -0.306 0.000 0.982 595 Q CA 1.596 57.251 55.803 -0.247 0.000 0.838 595 Q CB -0.103 28.513 28.738 -0.203 0.000 0.899 595 Q HN 0.331 nan 8.270 nan 0.000 0.423 596 I N -0.056 120.179 120.570 -0.558 0.000 2.394 596 I HA -0.185 3.980 4.170 -0.008 0.000 0.251 596 I C 1.906 177.887 176.117 -0.227 0.000 1.136 596 I CA 0.867 61.874 61.300 -0.488 0.000 1.425 596 I CB -0.105 37.336 38.000 -0.931 0.000 1.079 596 I HN 0.065 nan 8.210 nan 0.000 0.425 597 V N 0.815 120.558 119.914 -0.286 0.000 2.358 597 V HA -0.261 3.855 4.120 -0.008 0.000 0.246 597 V C 2.297 178.369 176.094 -0.038 0.000 1.047 597 V CA 2.071 64.281 62.300 -0.150 0.000 1.035 597 V CB -1.110 30.577 31.823 -0.227 0.000 0.658 597 V HN 0.530 nan 8.190 nan 0.000 0.452 598 N N 0.526 119.172 118.700 -0.089 0.000 2.120 598 N HA -0.188 4.548 4.740 -0.008 0.000 0.188 598 N C 1.456 176.944 175.510 -0.036 0.000 1.024 598 N CA 1.701 54.716 53.050 -0.058 0.000 0.852 598 N CB -0.203 38.236 38.487 -0.081 0.000 1.003 598 N HN 0.413 nan 8.380 nan 0.000 0.424 599 D N -0.582 119.805 120.400 -0.022 0.000 2.144 599 D HA -0.151 4.484 4.640 -0.008 0.000 0.199 599 D C 1.509 177.771 176.300 -0.064 0.000 0.984 599 D CA 0.657 54.658 54.000 0.001 0.000 0.834 599 D CB -0.463 40.401 40.800 0.108 0.000 0.955 599 D HN 0.349 nan 8.370 nan 0.000 0.465 600 F N 1.111 121.003 119.950 -0.096 0.000 2.134 600 F HA -0.217 4.305 4.527 -0.008 0.000 0.299 600 F C 2.158 177.761 175.800 -0.328 0.000 1.097 600 F CA 1.053 58.903 58.000 -0.251 0.000 1.264 600 F CB -0.100 38.894 39.000 -0.011 0.000 1.001 600 F HN -0.202 nan 8.300 nan 0.000 0.479 601 V N 0.894 120.835 119.914 0.044 0.000 2.343 601 V HA -0.316 3.800 4.120 -0.008 0.000 0.247 601 V C 2.393 178.376 176.094 -0.184 0.000 1.051 601 V CA 2.064 64.352 62.300 -0.019 0.000 1.036 601 V CB -0.630 31.216 31.823 0.039 0.000 0.654 601 V HN 0.375 nan 8.190 nan 0.000 0.451 602 I N -0.333 120.115 120.570 -0.204 0.000 2.179 602 I HA -0.192 3.974 4.170 -0.008 0.000 0.242 602 I C 2.710 178.620 176.117 -0.345 0.000 1.088 602 I CA 1.369 62.542 61.300 -0.212 0.000 1.357 602 I CB -0.469 37.432 38.000 -0.164 0.000 1.051 602 I HN 0.315 nan 8.210 nan 0.000 0.409 603 E N 1.050 120.868 120.200 -0.636 0.000 2.051 603 E HA -0.215 4.130 4.350 -0.008 0.000 0.192 603 E C 2.335 178.417 176.600 -0.864 0.000 0.991 603 E CA 1.585 57.381 56.400 -1.007 0.000 0.799 603 E CB -0.351 28.077 29.700 -2.120 0.000 0.748 603 E HN 0.509 nan 8.360 nan 0.000 0.449 604 A N 1.476 123.781 122.820 -0.858 0.000 1.933 604 A HA -0.184 4.131 4.320 -0.008 0.000 0.218 604 A C 1.896 179.471 177.584 -0.014 0.000 1.175 604 A CA 1.560 53.407 52.037 -0.318 0.000 0.628 604 A CB -0.844 17.995 19.000 -0.268 0.000 0.814 604 A HN 0.298 nan 8.150 nan 0.000 0.444 605 N N -0.434 118.209 118.700 -0.094 0.000 2.443 605 N HA -0.107 4.629 4.740 -0.008 0.000 0.184 605 N C 1.104 176.608 175.510 -0.010 0.000 1.037 605 N CA 0.669 53.700 53.050 -0.032 0.000 0.896 605 N CB -0.120 38.332 38.487 -0.058 0.000 0.959 605 N HN 0.471 nan 8.380 nan 0.000 0.442 606 K N 0.705 121.115 120.400 0.017 0.000 2.574 606 K HA -0.022 4.293 4.320 -0.008 0.000 0.193 606 K C 1.556 178.133 176.600 -0.038 0.000 1.035 606 K CA 0.562 56.861 56.287 0.020 0.000 0.982 606 K CB 0.054 32.596 32.500 0.069 0.000 0.795 606 K HN 0.242 nan 8.250 nan 0.000 0.491 607 S N 0.934 116.617 115.700 -0.027 0.000 2.561 607 S HA -0.081 4.384 4.470 -0.008 0.000 0.225 607 S C 1.095 175.595 174.600 -0.167 0.000 0.977 607 S CA 0.721 58.799 58.200 -0.202 0.000 0.926 607 S CB -0.313 62.838 63.200 -0.082 0.000 0.769 607 S HN 0.389 nan 8.310 nan 0.000 0.533 608 N N 0.645 119.285 118.700 -0.099 0.000 2.251 608 N HA 0.089 4.825 4.740 -0.008 0.000 0.217 608 N C -0.461 174.992 175.510 -0.095 0.000 1.124 608 N CA -0.170 52.831 53.050 -0.082 0.000 0.843 608 N CB -0.660 37.800 38.487 -0.045 0.000 1.024 608 N HN 0.048 nan 8.380 nan 0.000 0.501 609 T N 1.613 116.092 114.554 -0.125 0.000 2.908 609 T HA 0.075 4.420 4.350 -0.008 0.000 0.301 609 T C 0.378 175.013 174.700 -0.108 0.000 1.019 609 T CA 0.358 62.391 62.100 -0.112 0.000 1.152 609 T CB 0.336 69.131 68.868 -0.122 0.000 0.966 609 T HN 0.200 nan 8.240 nan 0.000 0.540 610 M N 2.488 122.039 119.600 -0.081 0.000 2.478 610 M HA 0.369 4.845 4.480 -0.008 0.000 0.327 610 M C 0.155 176.421 176.300 -0.057 0.000 1.187 610 M CA -0.553 54.708 55.300 -0.066 0.000 1.022 610 M CB 1.359 33.920 32.600 -0.066 0.000 1.629 610 M HN 0.439 nan 8.290 nan 0.000 0.461 611 D N 0.394 120.772 120.400 -0.037 0.000 2.992 611 D HA 0.168 4.803 4.640 -0.008 0.000 0.372 611 D C 0.621 176.909 176.300 -0.021 0.000 1.374 611 D CA 0.008 53.995 54.000 -0.022 0.000 0.769 611 D CB 0.421 41.221 40.800 0.001 0.000 1.215 611 D HN 0.304 nan 8.370 nan 0.000 0.473 612 K N 0.219 120.595 120.400 -0.041 0.000 2.127 612 K HA -0.154 4.162 4.320 -0.008 0.000 0.208 612 K C 1.727 178.291 176.600 -0.060 0.000 1.047 612 K CA 0.688 56.948 56.287 -0.046 0.000 0.927 612 K CB -0.049 32.413 32.500 -0.064 0.000 0.716 612 K HN 0.356 nan 8.250 nan 0.000 0.450 613 I N 0.774 121.305 120.570 -0.064 0.000 2.567 613 I HA -0.156 4.009 4.170 -0.008 0.000 0.257 613 I C 1.535 177.576 176.117 -0.127 0.000 1.184 613 I CA 0.970 62.211 61.300 -0.099 0.000 1.451 613 I CB -0.168 37.803 38.000 -0.047 0.000 1.089 613 I HN 0.065 nan 8.210 nan 0.000 0.441 614 A N -0.871 121.912 122.820 -0.062 0.000 2.345 614 A HA 0.179 4.495 4.320 -0.008 0.000 0.225 614 A C 0.585 178.147 177.584 -0.037 0.000 1.243 614 A CA 0.317 52.329 52.037 -0.041 0.000 0.875 614 A CB -0.292 18.711 19.000 0.006 0.000 0.929 614 A HN 0.452 nan 8.150 nan 0.000 0.502 615 D N -0.805 119.568 120.400 -0.044 0.000 2.746 615 D HA -0.141 4.494 4.640 -0.008 0.000 0.236 615 D C -0.468 175.834 176.300 0.003 0.000 1.129 615 D CA 1.081 55.066 54.000 -0.025 0.000 0.691 615 D CB -1.361 39.413 40.800 -0.045 0.000 1.077 615 D HN 0.557 nan 8.370 nan 0.000 0.432 616 I N 0.462 121.048 120.570 0.026 0.000 2.468 616 I HA 0.086 4.251 4.170 -0.008 0.000 0.284 616 I C 1.320 177.467 176.117 0.050 0.000 1.038 616 I CA -0.467 60.880 61.300 0.078 0.000 1.083 616 I CB 1.840 39.933 38.000 0.155 0.000 1.223 616 I HN -0.262 nan 8.210 nan 0.000 0.443 617 S N 4.699 120.426 115.700 0.045 0.000 2.383 617 S HA 0.021 4.486 4.470 -0.008 0.000 0.227 617 S C 0.285 174.897 174.600 0.019 0.000 1.026 617 S CA 0.871 59.083 58.200 0.020 0.000 0.981 617 S CB -0.002 63.207 63.200 0.015 0.000 0.818 617 S HN 0.463 nan 8.310 nan 0.000 0.472 618 L N 0.360 121.620 121.223 0.062 0.000 2.408 618 L HA 0.785 5.121 4.340 -0.008 0.000 0.268 618 L C -1.500 175.342 176.870 -0.047 0.000 0.986 618 L CA -0.698 54.157 54.840 0.024 0.000 0.820 618 L CB 1.998 44.113 42.059 0.094 0.000 1.303 618 L HN 0.078 nan 8.230 nan 0.000 0.411 619 I N 4.281 124.662 120.570 -0.315 0.000 2.649 619 I HA 0.473 4.638 4.170 -0.008 0.000 0.289 619 I C -1.512 174.163 176.117 -0.737 0.000 1.222 619 I CA -0.256 60.625 61.300 -0.697 0.000 1.046 619 I CB 2.309 40.087 38.000 -0.370 0.000 1.272 619 I HN 0.264 nan 8.210 nan 0.000 0.425 620 V N 10.803 130.037 119.914 -1.132 0.000 2.304 620 V HA 0.343 4.458 4.120 -0.008 0.000 0.262 620 V C -1.396 174.337 176.094 -0.601 0.000 1.061 620 V CA -0.920 60.872 62.300 -0.846 0.000 0.872 620 V CB 0.696 31.995 31.823 -0.874 0.000 1.077 620 V HN 0.703 nan 8.190 nan 0.000 0.480 621 P HA -0.171 nan 4.420 nan 0.000 0.219 621 P C 0.995 178.266 177.300 -0.049 0.000 1.146 621 P CA 1.434 64.502 63.100 -0.052 0.000 0.808 621 P CB 0.086 31.785 31.700 -0.001 0.000 0.779 622 Y N -2.476 117.772 120.300 -0.086 0.000 2.466 622 Y HA 0.315 4.861 4.550 -0.007 0.000 0.272 622 Y C 2.125 177.805 175.900 -0.367 0.000 1.169 622 Y CA -0.922 57.117 58.100 -0.102 0.000 1.285 622 Y CB -1.711 36.837 38.460 0.147 0.000 1.078 622 Y HN -0.219 nan 8.280 nan 0.000 0.523 623 I N 1.220 121.491 120.570 -0.498 0.000 2.264 623 I HA -0.237 3.928 4.170 -0.008 0.000 0.248 623 I C 2.623 178.379 176.117 -0.602 0.000 1.111 623 I CA 1.684 62.665 61.300 -0.532 0.000 1.382 623 I CB -0.629 37.060 38.000 -0.518 0.000 1.060 623 I HN 0.512 nan 8.210 nan 0.000 0.418 624 G N 0.772 109.030 108.800 -0.903 0.000 2.402 624 G HA2 -0.168 3.787 3.960 -0.008 0.000 0.216 624 G HA3 -0.168 3.787 3.960 -0.008 0.000 0.216 624 G C 1.696 176.436 174.900 -0.266 0.000 1.162 624 G CA 0.343 45.081 45.100 -0.604 0.000 0.777 624 G HN 0.269 nan 8.290 nan 0.000 0.539 625 L N 0.517 121.677 121.223 -0.105 0.000 2.156 625 L HA 0.034 4.369 4.340 -0.008 0.000 0.208 625 L C 3.325 180.356 176.870 0.269 0.000 1.095 625 L CA 0.795 55.739 54.840 0.174 0.000 0.770 625 L CB -0.237 41.992 42.059 0.283 0.000 0.914 625 L HN 0.314 nan 8.230 nan 0.000 0.439 626 A N -0.218 122.510 122.820 -0.153 0.000 1.929 626 A HA -0.046 4.270 4.320 -0.008 0.000 0.216 626 A C 2.022 179.601 177.584 -0.008 0.000 1.176 626 A CA 1.340 53.140 52.037 -0.396 0.000 0.628 626 A CB -0.155 18.080 19.000 -1.275 0.000 0.816 626 A HN 0.423 nan 8.150 nan 0.000 0.444 627 L N -3.149 117.977 121.223 -0.162 0.000 2.803 627 L HA 0.225 4.560 4.340 -0.008 0.000 0.246 627 L C 0.747 177.318 176.870 -0.497 0.000 1.100 627 L CA 0.397 55.127 54.840 -0.182 0.000 0.919 627 L CB 0.030 41.985 42.059 -0.174 0.000 1.285 627 L HN 0.392 nan 8.230 nan 0.000 0.522 628 N N 0.966 119.284 118.700 -0.638 0.000 2.721 628 N HA -0.193 4.543 4.740 -0.008 0.000 0.249 628 N C -0.345 174.896 175.510 -0.449 0.000 1.072 628 N CA 0.548 53.156 53.050 -0.736 0.000 0.710 628 N CB -1.018 36.550 38.487 -1.531 0.000 0.993 628 N HN 0.168 nan 8.380 nan 0.000 0.547 629 V N -0.282 119.450 119.914 -0.304 0.000 2.834 629 V HA 0.662 4.778 4.120 -0.008 0.000 0.301 629 V C 1.593 177.575 176.094 -0.188 0.000 1.066 629 V CA 1.060 63.226 62.300 -0.223 0.000 1.052 629 V CB 0.814 32.560 31.823 -0.127 0.000 1.021 629 V HN 0.926 nan 8.190 nan 0.000 0.480 630 G N 4.692 113.342 108.800 -0.249 0.000 2.528 630 G HA2 -0.295 3.660 3.960 -0.008 0.000 0.262 630 G HA3 -0.295 3.660 3.960 -0.008 0.000 0.262 630 G C 0.212 175.027 174.900 -0.141 0.000 1.200 630 G CA 0.361 45.336 45.100 -0.207 0.000 0.951 630 G HN 1.124 nan 8.290 nan 0.000 0.566 631 N N 2.921 121.580 118.700 -0.068 0.000 2.895 631 N HA 0.208 4.943 4.740 -0.008 0.000 0.277 631 N C 0.474 175.976 175.510 -0.015 0.000 1.185 631 N CA 0.857 53.887 53.050 -0.034 0.000 1.106 631 N CB -1.004 37.479 38.487 -0.008 0.000 1.422 631 N HN 0.588 nan 8.380 nan 0.000 0.521 632 E N -0.157 120.012 120.200 -0.052 0.000 2.149 632 E HA -0.239 4.106 4.350 -0.008 0.000 0.191 632 E C 0.390 176.976 176.600 -0.022 0.000 1.384 632 E CA 0.785 57.149 56.400 -0.060 0.000 0.698 632 E CB -1.220 28.467 29.700 -0.022 0.000 1.086 632 E HN 0.676 nan 8.360 nan 0.000 0.338 633 T N -3.341 111.197 114.554 -0.027 0.000 3.113 633 T HA 0.126 4.471 4.350 -0.008 0.000 0.263 633 T C 1.594 176.310 174.700 0.026 0.000 1.143 633 T CA 0.640 62.791 62.100 0.085 0.000 1.090 633 T CB 0.279 69.209 68.868 0.103 0.000 0.922 633 T HN 0.368 nan 8.240 nan 0.000 0.521 634 A N 0.910 123.679 122.820 -0.085 0.000 2.178 634 A HA 0.275 4.590 4.320 -0.008 0.000 0.211 634 A C 1.031 178.657 177.584 0.071 0.000 1.157 634 A CA 0.012 52.025 52.037 -0.041 0.000 0.780 634 A CB -0.045 18.856 19.000 -0.164 0.000 0.828 634 A HN 0.491 nan 8.150 nan 0.000 0.476 635 K N -0.277 120.162 120.400 0.065 0.000 2.130 635 K HA 0.499 4.814 4.320 -0.008 0.000 0.268 635 K C 0.727 177.392 176.600 0.109 0.000 0.983 635 K CA 0.287 56.629 56.287 0.091 0.000 0.893 635 K CB 1.227 33.768 32.500 0.069 0.000 1.066 635 K HN 0.454 nan 8.250 nan 0.000 0.450 636 G N 2.327 111.193 108.800 0.110 0.000 2.553 636 G HA2 -0.283 3.673 3.960 -0.008 0.000 0.242 636 G HA3 -0.283 3.673 3.960 -0.008 0.000 0.242 636 G C -0.768 174.212 174.900 0.132 0.000 1.277 636 G CA -0.578 44.587 45.100 0.108 0.000 0.910 636 G HN 0.679 nan 8.290 nan 0.000 0.576 637 N N 0.395 119.171 118.700 0.126 0.000 2.424 637 N HA 0.421 5.156 4.740 -0.008 0.000 0.271 637 N C 0.969 176.583 175.510 0.174 0.000 0.985 637 N CA -0.218 52.919 53.050 0.144 0.000 0.921 637 N CB 1.084 39.633 38.487 0.104 0.000 1.149 637 N HN 0.470 nan 8.380 nan 0.000 0.492 638 F N 4.025 124.014 119.950 0.065 0.000 2.134 638 F HA -0.086 4.436 4.527 -0.008 0.000 0.299 638 F C 2.227 178.084 175.800 0.096 0.000 1.097 638 F CA 1.588 59.629 58.000 0.068 0.000 1.264 638 F CB 0.018 39.035 39.000 0.029 0.000 1.001 638 F HN 0.689 nan 8.300 nan 0.000 0.479 639 E N -0.017 120.175 120.200 -0.013 0.000 2.058 639 E HA -0.335 4.011 4.350 -0.008 0.000 0.194 639 E C 2.071 178.643 176.600 -0.046 0.000 0.997 639 E CA 1.602 57.950 56.400 -0.086 0.000 0.801 639 E CB -0.405 29.297 29.700 0.004 0.000 0.746 639 E HN 0.490 nan 8.360 nan 0.000 0.450 640 N N 0.184 118.882 118.700 -0.002 0.000 2.084 640 N HA -0.161 4.575 4.740 -0.008 0.000 0.190 640 N C 1.671 177.172 175.510 -0.016 0.000 1.030 640 N CA 1.974 55.031 53.050 0.012 0.000 0.849 640 N CB -0.332 38.178 38.487 0.038 0.000 1.012 640 N HN 0.217 nan 8.380 nan 0.000 0.423 641 A N -0.626 122.175 122.820 -0.032 0.000 1.940 641 A HA -0.098 4.217 4.320 -0.008 0.000 0.219 641 A C 2.158 179.692 177.584 -0.084 0.000 1.176 641 A CA 1.174 53.187 52.037 -0.039 0.000 0.631 641 A CB -1.141 17.865 19.000 0.010 0.000 0.814 641 A HN 0.498 nan 8.150 nan 0.000 0.446 642 F N 0.728 120.463 119.950 -0.357 0.000 2.186 642 F HA -0.070 4.451 4.527 -0.010 0.000 0.299 642 F C 2.161 177.870 175.800 -0.152 0.000 1.090 642 F CA 1.844 59.651 58.000 -0.321 0.000 1.307 642 F CB -0.183 38.506 39.000 -0.519 0.000 1.019 642 F HN 0.347 nan 8.300 nan 0.000 0.489 643 E N 0.217 120.396 120.200 -0.036 0.000 2.110 643 E HA -0.215 4.131 4.350 -0.008 0.000 0.193 643 E C 2.268 178.794 176.600 -0.123 0.000 0.988 643 E CA 1.669 58.032 56.400 -0.061 0.000 0.804 643 E CB -0.177 29.526 29.700 0.006 0.000 0.745 643 E HN 0.491 nan 8.360 nan 0.000 0.458 644 I N -0.009 120.495 120.570 -0.110 0.000 2.400 644 I HA -0.122 4.044 4.170 -0.008 0.000 0.248 644 I C 2.147 178.181 176.117 -0.137 0.000 1.109 644 I CA 0.938 62.179 61.300 -0.098 0.000 1.425 644 I CB 0.066 38.030 38.000 -0.061 0.000 1.094 644 I HN 0.035 nan 8.210 nan 0.000 0.425 645 A N -0.124 122.589 122.820 -0.177 0.000 2.324 645 A HA 0.530 4.846 4.320 -0.008 0.000 0.220 645 A C 1.259 178.675 177.584 -0.279 0.000 1.209 645 A CA 0.521 52.454 52.037 -0.173 0.000 0.918 645 A CB -0.162 18.783 19.000 -0.093 0.000 0.959 645 A HN 0.451 nan 8.150 nan 0.000 0.507 646 G N -0.711 107.748 108.800 -0.570 0.000 2.562 646 G HA2 0.048 4.003 3.960 -0.008 0.000 0.250 646 G HA3 0.048 4.003 3.960 -0.008 0.000 0.250 646 G C 1.246 175.825 174.900 -0.535 0.000 1.269 646 G CA 0.672 45.197 45.100 -0.958 0.000 0.919 646 G HN 1.470 nan 8.290 nan 0.000 0.574 647 A N -1.085 121.628 122.820 -0.179 0.000 1.948 647 A HA 0.027 4.342 4.320 -0.008 0.000 0.220 647 A C 2.775 180.557 177.584 0.330 0.000 1.177 647 A CA 3.225 55.426 52.037 0.272 0.000 0.636 647 A CB -0.889 18.265 19.000 0.257 0.000 0.815 647 A HN 1.624 nan 8.150 nan 0.000 0.449 648 S N -0.108 115.729 115.700 0.230 0.000 2.420 648 S HA -0.199 4.266 4.470 -0.008 0.000 0.237 648 S C 1.726 176.381 174.600 0.091 0.000 1.023 648 S CA 1.527 59.839 58.200 0.185 0.000 0.991 648 S CB -0.755 62.551 63.200 0.176 0.000 0.792 648 S HN 0.831 nan 8.310 nan 0.000 0.488 649 I N -1.511 119.130 120.570 0.119 0.000 3.001 649 I HA 0.026 4.191 4.170 -0.008 0.000 0.268 649 I C 1.559 177.766 176.117 0.150 0.000 1.267 649 I CA 1.149 62.520 61.300 0.119 0.000 1.472 649 I CB -0.299 37.792 38.000 0.152 0.000 1.089 649 I HN 0.167 nan 8.210 nan 0.000 0.468 650 L N 0.846 122.198 121.223 0.214 0.000 2.375 650 L HA 0.239 4.574 4.340 -0.008 0.000 0.215 650 L C 1.033 177.862 176.870 -0.068 0.000 1.108 650 L CA 0.027 54.974 54.840 0.179 0.000 0.830 650 L CB 0.002 42.305 42.059 0.405 0.000 0.959 650 L HN 0.201 nan 8.230 nan 0.000 0.457 651 L N 0.536 121.643 121.223 -0.193 0.000 2.453 651 L HA -0.049 4.287 4.340 -0.008 0.000 0.272 651 L C 1.439 178.056 176.870 -0.422 0.000 1.182 651 L CA -0.040 54.550 54.840 -0.417 0.000 0.858 651 L CB 0.733 42.510 42.059 -0.469 0.000 1.120 651 L HN 0.016 nan 8.230 nan 0.000 0.474 652 E N 2.153 121.959 120.200 -0.657 0.000 2.216 652 E HA -0.044 4.301 4.350 -0.008 0.000 0.192 652 E C -0.554 175.665 176.600 -0.635 0.000 0.988 652 E CA 0.792 56.625 56.400 -0.944 0.000 0.834 652 E CB 0.300 28.845 29.700 -1.925 0.000 0.772 652 E HN 0.384 nan 8.360 nan 0.000 0.479 653 F N -0.006 119.631 119.950 -0.522 0.000 2.596 653 F HA 0.368 4.890 4.527 -0.008 0.000 0.311 653 F C -1.469 174.229 175.800 -0.169 0.000 1.116 653 F CA -1.273 56.605 58.000 -0.203 0.000 0.957 653 F CB 1.153 40.177 39.000 0.041 0.000 1.250 653 F HN -0.297 nan 8.300 nan 0.000 0.444 654 I N 6.909 127.016 120.570 -0.771 0.000 2.291 654 I HA 0.272 4.438 4.170 -0.008 0.000 0.292 654 I C -2.184 173.375 176.117 -0.929 0.000 1.064 654 I CA -2.265 58.675 61.300 -0.600 0.000 1.269 654 I CB 0.301 38.095 38.000 -0.344 0.000 1.418 654 I HN 0.394 nan 8.210 nan 0.000 0.485 655 P HA 0.122 nan 4.420 nan 0.000 0.269 655 P C -0.479 176.755 177.300 -0.108 0.000 1.215 655 P CA -0.214 62.778 63.100 -0.180 0.000 0.780 655 P CB 0.611 32.356 31.700 0.074 0.000 0.898 656 E N 1.781 121.988 120.200 0.011 0.000 2.089 656 E HA 0.237 4.582 4.350 -0.008 0.000 0.284 656 E C -0.349 176.277 176.600 0.042 0.000 1.023 656 E CA -0.419 55.992 56.400 0.019 0.000 0.819 656 E CB 0.410 30.149 29.700 0.065 0.000 1.076 656 E HN 0.336 nan 8.360 nan 0.000 0.396 657 L N 3.331 124.555 121.223 0.001 0.000 2.395 657 L HA 0.252 4.587 4.340 -0.008 0.000 0.269 657 L C -0.054 176.799 176.870 -0.028 0.000 1.133 657 L CA -0.873 53.949 54.840 -0.030 0.000 0.812 657 L CB 0.397 42.421 42.059 -0.059 0.000 1.125 657 L HN 0.370 nan 8.230 nan 0.000 0.452 658 L N 4.902 126.095 121.223 -0.049 0.000 2.260 658 L HA 0.426 4.762 4.340 -0.008 0.000 0.289 658 L C -0.458 176.370 176.870 -0.070 0.000 1.057 658 L CA 0.516 55.344 54.840 -0.020 0.000 0.811 658 L CB 0.213 42.299 42.059 0.044 0.000 1.184 658 L HN 0.377 nan 8.230 nan 0.000 0.429 659 I N 7.187 127.719 120.570 -0.062 0.000 2.714 659 I HA 0.291 4.456 4.170 -0.008 0.000 0.276 659 I C -2.193 173.876 176.117 -0.080 0.000 1.196 659 I CA -1.498 59.748 61.300 -0.092 0.000 1.068 659 I CB 1.099 39.040 38.000 -0.098 0.000 1.291 659 I HN 0.487 nan 8.210 nan 0.000 0.530 660 P HA 0.036 nan 4.420 nan 0.000 0.267 660 P C -0.189 177.060 177.300 -0.086 0.000 1.200 660 P CA -0.150 62.909 63.100 -0.068 0.000 0.772 660 P CB 0.729 32.389 31.700 -0.067 0.000 0.855 661 V N 4.176 124.058 119.914 -0.054 0.000 2.405 661 V HA 0.014 4.130 4.120 -0.008 0.000 0.264 661 V C 0.492 176.556 176.094 -0.051 0.000 1.048 661 V CA -0.393 61.882 62.300 -0.041 0.000 0.966 661 V CB 0.696 32.515 31.823 -0.007 0.000 1.015 661 V HN 0.281 nan 8.190 nan 0.000 0.477 662 V N 5.339 125.188 119.914 -0.108 0.000 2.617 662 V HA 0.141 4.257 4.120 -0.008 0.000 0.304 662 V C 1.365 177.454 176.094 -0.009 0.000 1.040 662 V CA 0.467 62.648 62.300 -0.198 0.000 1.149 662 V CB 0.314 31.749 31.823 -0.647 0.000 0.914 662 V HN 0.980 nan 8.190 nan 0.000 0.487 663 G N 3.320 112.133 108.800 0.022 0.000 2.614 663 G HA2 0.451 4.406 3.960 -0.008 0.000 0.239 663 G HA3 0.451 4.406 3.960 -0.008 0.000 0.239 663 G C 0.279 175.362 174.900 0.305 0.000 1.240 663 G CA 0.077 45.257 45.100 0.133 0.000 0.842 663 G HN 1.243 nan 8.290 nan 0.000 0.584 664 A N 0.398 123.378 122.820 0.268 0.000 2.366 664 A HA 0.598 4.914 4.320 -0.008 0.000 0.249 664 A C -0.674 177.203 177.584 0.489 0.000 1.084 664 A CA -0.207 52.019 52.037 0.315 0.000 0.794 664 A CB 0.266 19.370 19.000 0.173 0.000 1.034 664 A HN 0.433 nan 8.150 nan 0.000 0.491 665 F N 0.355 120.372 119.950 0.111 0.000 2.408 665 F HA 0.448 4.970 4.527 -0.008 0.000 0.344 665 F C 0.121 175.930 175.800 0.015 0.000 1.112 665 F CA -0.917 57.125 58.000 0.069 0.000 1.096 665 F CB 1.399 40.438 39.000 0.064 0.000 1.129 665 F HN 0.291 nan 8.300 nan 0.000 0.486 666 L N 5.684 126.971 121.223 0.106 0.000 2.283 666 L HA 0.388 4.724 4.340 -0.008 0.000 0.281 666 L C -0.699 176.162 176.870 -0.014 0.000 1.033 666 L CA -0.399 54.468 54.840 0.044 0.000 0.848 666 L CB 0.675 42.747 42.059 0.021 0.000 1.226 666 L HN 0.376 nan 8.230 nan 0.000 0.429 667 L N 3.441 124.635 121.223 -0.049 0.000 2.281 667 L HA 0.347 4.682 4.340 -0.008 0.000 0.285 667 L C 0.357 177.193 176.870 -0.056 0.000 1.074 667 L CA -0.107 54.617 54.840 -0.193 0.000 0.817 667 L CB 1.019 42.690 42.059 -0.646 0.000 1.168 667 L HN 0.587 nan 8.230 nan 0.000 0.434 668 E N 2.076 122.253 120.200 -0.039 0.000 2.174 668 E HA 0.279 4.625 4.350 -0.008 0.000 0.282 668 E C -0.707 175.815 176.600 -0.130 0.000 0.992 668 E CA -0.377 55.977 56.400 -0.076 0.000 0.803 668 E CB 1.267 30.869 29.700 -0.164 0.000 1.090 668 E HN 0.580 nan 8.360 nan 0.000 0.396 669 S N 2.692 118.363 115.700 -0.048 0.000 2.617 669 S HA 0.284 4.749 4.470 -0.008 0.000 0.269 669 S C -0.999 173.353 174.600 -0.413 0.000 1.292 669 S CA -0.262 57.918 58.200 -0.033 0.000 1.010 669 S CB 0.359 63.579 63.200 0.034 0.000 0.944 669 S HN 0.400 nan 8.310 nan 0.000 0.536 670 Y N 1.333 121.660 120.300 0.046 0.000 2.609 670 Y HA 0.336 4.881 4.550 -0.008 0.000 0.350 670 Y C 0.386 176.174 175.900 -0.186 0.000 1.050 670 Y CA -0.935 57.133 58.100 -0.053 0.000 1.290 670 Y CB -0.014 38.413 38.460 -0.055 0.000 1.094 670 Y HN 0.558 nan 8.280 nan 0.000 0.583 671 I N -0.380 120.064 120.570 -0.210 0.000 2.845 671 I HA 0.018 4.184 4.170 -0.008 0.000 0.296 671 I C 0.032 175.757 176.117 -0.654 0.000 1.216 671 I CA 0.382 61.248 61.300 -0.724 0.000 1.438 671 I CB 0.600 38.252 38.000 -0.579 0.000 1.342 671 I HN 0.631 nan 8.210 nan 0.000 0.577 672 D N 2.255 122.088 120.400 -0.945 0.000 3.041 672 D HA -0.229 4.406 4.640 -0.008 0.000 0.220 672 D C -0.382 175.816 176.300 -0.170 0.000 1.157 672 D CA 0.983 54.759 54.000 -0.375 0.000 0.876 672 D CB -1.481 39.166 40.800 -0.255 0.000 1.107 672 D HN 0.846 nan 8.370 nan 0.000 0.422 673 N N 0.415 119.035 118.700 -0.133 0.000 2.716 673 N HA 0.099 4.835 4.740 -0.008 0.000 0.253 673 N C 0.888 176.395 175.510 -0.004 0.000 1.170 673 N CA -0.376 52.636 53.050 -0.065 0.000 0.807 673 N CB 1.055 39.496 38.487 -0.077 0.000 1.183 673 N HN 0.074 nan 8.380 nan 0.000 0.524 674 K N 2.174 122.584 120.400 0.016 0.000 2.152 674 K HA -0.114 4.201 4.320 -0.008 0.000 0.206 674 K C 0.661 177.289 176.600 0.046 0.000 1.048 674 K CA 1.575 57.894 56.287 0.053 0.000 0.933 674 K CB 0.388 32.917 32.500 0.048 0.000 0.721 674 K HN 0.323 nan 8.250 nan 0.000 0.447 675 N N 0.515 119.214 118.700 -0.001 0.000 2.148 675 N HA -0.050 4.685 4.740 -0.008 0.000 0.186 675 N C 1.195 176.687 175.510 -0.030 0.000 1.031 675 N CA 1.073 54.117 53.050 -0.009 0.000 0.848 675 N CB 0.047 38.510 38.487 -0.040 0.000 1.005 675 N HN 0.097 nan 8.380 nan 0.000 0.427 676 K N 0.256 120.563 120.400 -0.156 0.000 2.360 676 K HA 0.001 4.316 4.320 -0.008 0.000 0.201 676 K C 1.415 178.033 176.600 0.031 0.000 1.046 676 K CA 0.682 56.778 56.287 -0.319 0.000 0.945 676 K CB -0.036 31.903 32.500 -0.936 0.000 0.750 676 K HN 0.282 nan 8.250 nan 0.000 0.464 677 I N 0.188 120.858 120.570 0.167 0.000 2.429 677 I HA -0.162 4.004 4.170 -0.008 0.000 0.247 677 I C 2.079 178.363 176.117 0.278 0.000 1.099 677 I CA 0.661 62.156 61.300 0.324 0.000 1.422 677 I CB -0.081 38.075 38.000 0.260 0.000 1.112 677 I HN 0.031 nan 8.210 nan 0.000 0.430 678 I N 1.122 121.802 120.570 0.184 0.000 2.264 678 I HA -0.295 3.870 4.170 -0.008 0.000 0.248 678 I C 2.443 178.650 176.117 0.150 0.000 1.111 678 I CA 1.549 62.947 61.300 0.163 0.000 1.382 678 I CB -0.376 37.704 38.000 0.132 0.000 1.060 678 I HN 0.191 nan 8.210 nan 0.000 0.418 679 K N 0.238 120.721 120.400 0.138 0.000 2.026 679 K HA -0.129 4.187 4.320 -0.008 0.000 0.208 679 K C 2.101 178.789 176.600 0.147 0.000 1.048 679 K CA 1.842 58.208 56.287 0.131 0.000 0.929 679 K CB -0.391 32.194 32.500 0.141 0.000 0.713 679 K HN 0.263 nan 8.250 nan 0.000 0.439 680 T N 1.878 116.552 114.554 0.200 0.000 2.759 680 T HA -0.120 4.226 4.350 -0.008 0.000 0.269 680 T C 1.879 176.640 174.700 0.102 0.000 1.042 680 T CA 1.183 63.393 62.100 0.185 0.000 1.140 680 T CB -0.189 68.849 68.868 0.284 0.000 0.864 680 T HN 0.161 nan 8.240 nan 0.000 0.455 681 I N 0.963 121.614 120.570 0.134 0.000 2.286 681 I HA -0.115 4.050 4.170 -0.008 0.000 0.245 681 I C 2.297 178.465 176.117 0.086 0.000 1.104 681 I CA 1.021 62.382 61.300 0.100 0.000 1.397 681 I CB -0.357 37.730 38.000 0.144 0.000 1.072 681 I HN 0.134 nan 8.210 nan 0.000 0.417 682 D N 1.138 121.592 120.400 0.091 0.000 2.117 682 D HA -0.155 4.481 4.640 -0.008 0.000 0.197 682 D C 1.807 178.157 176.300 0.083 0.000 0.987 682 D CA 1.398 55.444 54.000 0.077 0.000 0.829 682 D CB -0.496 40.350 40.800 0.076 0.000 0.961 682 D HN 0.483 nan 8.370 nan 0.000 0.460 683 N N 0.862 119.613 118.700 0.086 0.000 2.120 683 N HA -0.108 4.627 4.740 -0.008 0.000 0.188 683 N C 1.921 177.502 175.510 0.118 0.000 1.024 683 N CA 0.919 54.018 53.050 0.081 0.000 0.852 683 N CB -0.017 38.502 38.487 0.054 0.000 1.003 683 N HN 0.057 nan 8.380 nan 0.000 0.424 684 A N 1.315 124.216 122.820 0.136 0.000 1.972 684 A HA -0.088 4.227 4.320 -0.008 0.000 0.219 684 A C 2.127 179.892 177.584 0.301 0.000 1.169 684 A CA 1.032 53.230 52.037 0.269 0.000 0.635 684 A CB -0.556 18.575 19.000 0.218 0.000 0.810 684 A HN 0.183 nan 8.150 nan 0.000 0.446 685 L N -0.438 120.884 121.223 0.165 0.000 2.095 685 L HA -0.118 4.218 4.340 -0.008 0.000 0.204 685 L C 3.038 179.995 176.870 0.145 0.000 1.080 685 L CA 1.722 56.633 54.840 0.119 0.000 0.759 685 L CB -0.871 41.222 42.059 0.057 0.000 0.914 685 L HN 0.643 nan 8.230 nan 0.000 0.439 686 T N -2.554 112.086 114.554 0.144 0.000 2.821 686 T HA -0.201 4.144 4.350 -0.008 0.000 0.267 686 T C 1.879 176.706 174.700 0.213 0.000 1.046 686 T CA 1.080 63.270 62.100 0.150 0.000 1.139 686 T CB -0.154 68.789 68.868 0.124 0.000 0.871 686 T HN -0.034 nan 8.240 nan 0.000 0.454 687 K N 1.544 122.091 120.400 0.245 0.000 2.147 687 K HA 0.010 4.325 4.320 -0.008 0.000 0.205 687 K C 2.510 179.371 176.600 0.435 0.000 1.049 687 K CA 0.865 57.324 56.287 0.287 0.000 0.936 687 K CB -0.473 32.166 32.500 0.231 0.000 0.722 687 K HN 0.307 nan 8.250 nan 0.000 0.446 688 R N 0.719 121.496 120.500 0.462 0.000 2.096 688 R HA -0.081 4.255 4.340 -0.008 0.000 0.235 688 R C 1.127 177.668 176.300 0.401 0.000 1.127 688 R CA 1.547 57.923 56.100 0.459 0.000 0.968 688 R CB -0.497 29.986 30.300 0.305 0.000 0.861 688 R HN 0.323 nan 8.270 nan 0.000 0.440 689 N N 1.098 119.962 118.700 0.274 0.000 2.244 689 N HA -0.173 4.563 4.740 -0.008 0.000 0.183 689 N C 1.620 177.327 175.510 0.329 0.000 1.016 689 N CA 1.032 54.227 53.050 0.242 0.000 0.866 689 N CB -0.192 38.396 38.487 0.169 0.000 0.980 689 N HN 0.486 nan 8.380 nan 0.000 0.430 690 E N 1.202 121.576 120.200 0.289 0.000 2.110 690 E HA -0.143 4.202 4.350 -0.008 0.000 0.193 690 E C 1.258 177.916 176.600 0.096 0.000 0.988 690 E CA 0.896 57.384 56.400 0.147 0.000 0.804 690 E CB 0.262 29.926 29.700 -0.060 0.000 0.745 690 E HN 0.069 nan 8.360 nan 0.000 0.458 691 K N -0.035 120.440 120.400 0.124 0.000 2.097 691 K HA -0.156 4.159 4.320 -0.008 0.000 0.205 691 K C 1.726 178.291 176.600 -0.058 0.000 1.050 691 K CA 1.012 57.279 56.287 -0.034 0.000 0.938 691 K CB -0.552 31.823 32.500 -0.209 0.000 0.718 691 K HN 0.312 nan 8.250 nan 0.000 0.442 692 W N 1.354 122.584 121.300 -0.117 0.000 2.381 692 W HA -0.058 4.597 4.660 -0.009 0.000 0.301 692 W C 2.821 179.190 176.519 -0.249 0.000 1.205 692 W CA 1.457 58.656 57.345 -0.243 0.000 1.285 692 W CB -0.803 28.571 29.460 -0.144 0.000 1.133 692 W HN 0.048 nan 8.180 nan 0.000 0.521 693 S N -0.057 115.817 115.700 0.289 0.000 2.355 693 S HA -0.187 4.278 4.470 -0.008 0.000 0.222 693 S C 1.539 176.326 174.600 0.313 0.000 1.031 693 S CA 1.905 60.381 58.200 0.460 0.000 0.993 693 S CB -0.523 63.022 63.200 0.575 0.000 0.859 693 S HN 0.076 nan 8.310 nan 0.000 0.453 694 D N 0.777 121.262 120.400 0.141 0.000 2.149 694 D HA -0.091 4.545 4.640 -0.008 0.000 0.198 694 D C 1.807 178.079 176.300 -0.048 0.000 0.990 694 D CA 1.042 55.069 54.000 0.044 0.000 0.839 694 D CB -0.360 40.422 40.800 -0.029 0.000 0.948 694 D HN 0.385 nan 8.370 nan 0.000 0.460 695 M N -0.713 118.805 119.600 -0.136 0.000 2.099 695 M HA -0.127 4.349 4.480 -0.008 0.000 0.262 695 M C 1.759 177.964 176.300 -0.158 0.000 1.067 695 M CA 1.483 56.652 55.300 -0.219 0.000 1.124 695 M CB -0.685 31.677 32.600 -0.397 0.000 1.353 695 M HN 0.125 nan 8.290 nan 0.000 0.410 696 Y N -0.712 119.490 120.300 -0.163 0.000 2.181 696 Y HA -0.154 4.393 4.550 -0.005 0.000 0.288 696 Y C 2.331 177.899 175.900 -0.554 0.000 1.146 696 Y CA 0.557 58.486 58.100 -0.285 0.000 1.164 696 Y CB -0.746 37.722 38.460 0.014 0.000 0.982 696 Y HN 0.435 nan 8.280 nan 0.000 0.515 697 G N 0.103 108.617 108.800 -0.477 0.000 2.422 697 G HA2 -0.284 3.671 3.960 -0.008 0.000 0.218 697 G HA3 -0.284 3.671 3.960 -0.008 0.000 0.218 697 G C 1.516 176.318 174.900 -0.163 0.000 1.146 697 G CA 0.944 45.772 45.100 -0.454 0.000 0.769 697 G HN 0.304 nan 8.290 nan 0.000 0.547 698 L N 0.762 121.912 121.223 -0.121 0.000 2.046 698 L HA 0.017 4.352 4.340 -0.008 0.000 0.208 698 L C 2.509 179.275 176.870 -0.173 0.000 1.077 698 L CA 1.311 56.089 54.840 -0.103 0.000 0.747 698 L CB -0.365 41.633 42.059 -0.102 0.000 0.896 698 L HN 0.094 nan 8.230 nan 0.000 0.432 699 I N -0.979 119.485 120.570 -0.177 0.000 2.179 699 I HA -0.223 3.942 4.170 -0.008 0.000 0.242 699 I C 2.597 178.656 176.117 -0.097 0.000 1.088 699 I CA 1.223 62.414 61.300 -0.182 0.000 1.357 699 I CB -1.304 36.555 38.000 -0.234 0.000 1.051 699 I HN 0.107 nan 8.210 nan 0.000 0.409 700 V N 1.499 121.367 119.914 -0.077 0.000 2.332 700 V HA -0.286 3.830 4.120 -0.008 0.000 0.248 700 V C 2.852 179.056 176.094 0.184 0.000 1.055 700 V CA 1.884 64.265 62.300 0.135 0.000 1.038 700 V CB -1.121 30.779 31.823 0.128 0.000 0.651 700 V HN 0.470 nan 8.190 nan 0.000 0.450 701 A N -0.915 121.948 122.820 0.072 0.000 1.902 701 A HA -0.295 4.020 4.320 -0.008 0.000 0.217 701 A C 2.175 179.785 177.584 0.044 0.000 1.181 701 A CA 2.033 54.134 52.037 0.106 0.000 0.623 701 A CB -0.458 18.636 19.000 0.157 0.000 0.818 701 A HN 0.640 nan 8.150 nan 0.000 0.443 702 Q N -2.228 117.450 119.800 -0.203 0.000 2.123 702 Q HA -0.194 4.142 4.340 -0.008 0.000 0.199 702 Q C 1.925 177.931 176.000 0.010 0.000 0.966 702 Q CA 1.450 57.049 55.803 -0.340 0.000 0.845 702 Q CB -0.268 28.108 28.738 -0.603 0.000 0.907 702 Q HN 0.899 nan 8.270 nan 0.000 0.439 703 W N 1.506 122.753 121.300 -0.087 0.000 2.355 703 W HA -0.169 4.486 4.660 -0.008 0.000 0.309 703 W C 1.443 177.984 176.519 0.037 0.000 1.206 703 W CA 1.270 58.618 57.345 0.004 0.000 1.284 703 W CB -0.385 29.076 29.460 0.003 0.000 1.145 703 W HN 0.013 nan 8.180 nan 0.000 0.502 704 L N 0.909 122.031 121.223 -0.169 0.000 2.141 704 L HA -0.169 4.167 4.340 -0.008 0.000 0.209 704 L C 2.535 179.231 176.870 -0.290 0.000 1.094 704 L CA 1.783 56.379 54.840 -0.407 0.000 0.763 704 L CB -0.903 41.034 42.059 -0.204 0.000 0.908 704 L HN 0.169 nan 8.230 nan 0.000 0.437 705 S N -3.128 112.499 115.700 -0.122 0.000 2.540 705 S HA 0.005 4.471 4.470 -0.008 0.000 0.218 705 S C 1.415 176.071 174.600 0.093 0.000 0.977 705 S CA 0.371 58.523 58.200 -0.081 0.000 0.918 705 S CB 0.105 63.333 63.200 0.047 0.000 0.806 705 S HN 0.492 nan 8.310 nan 0.000 0.496 706 T N -2.645 111.948 114.554 0.065 0.000 2.966 706 T HA 0.349 4.695 4.350 -0.008 0.000 0.254 706 T C 1.228 175.941 174.700 0.021 0.000 0.961 706 T CA 0.453 62.611 62.100 0.097 0.000 0.915 706 T CB 0.056 69.011 68.868 0.145 0.000 1.186 706 T HN 0.134 nan 8.240 nan 0.000 0.505 707 V N 1.544 121.434 119.914 -0.040 0.000 2.840 707 V HA 0.267 4.383 4.120 -0.008 0.000 0.234 707 V C 2.452 178.486 176.094 -0.101 0.000 1.159 707 V CA 0.938 63.179 62.300 -0.098 0.000 1.194 707 V CB -0.389 31.503 31.823 0.115 0.000 0.971 707 V HN 0.371 nan 8.190 nan 0.000 0.494 708 N N 1.001 119.556 118.700 -0.243 0.000 2.289 708 N HA -0.160 4.575 4.740 -0.008 0.000 0.184 708 N C 1.807 177.305 175.510 -0.019 0.000 1.016 708 N CA 1.923 54.864 53.050 -0.182 0.000 0.872 708 N CB -0.089 37.992 38.487 -0.677 0.000 0.973 708 N HN 0.671 nan 8.380 nan 0.000 0.433 709 T N -2.125 112.402 114.554 -0.045 0.000 2.777 709 T HA -0.124 4.222 4.350 -0.008 0.000 0.266 709 T C 1.721 176.543 174.700 0.203 0.000 1.040 709 T CA 0.990 63.138 62.100 0.078 0.000 1.141 709 T CB -0.432 68.505 68.868 0.116 0.000 0.868 709 T HN 0.249 nan 8.240 nan 0.000 0.444 710 Q N 0.167 120.042 119.800 0.124 0.000 2.084 710 Q HA 0.028 4.363 4.340 -0.008 0.000 0.202 710 Q C 2.065 178.110 176.000 0.074 0.000 0.978 710 Q CA 1.375 57.280 55.803 0.171 0.000 0.844 710 Q CB -0.392 28.272 28.738 -0.124 0.000 0.898 710 Q HN 0.597 nan 8.270 nan 0.000 0.426 711 F N -0.832 119.198 119.950 0.133 0.000 2.293 711 F HA -0.213 4.311 4.527 -0.004 0.000 0.300 711 F C 2.191 178.058 175.800 0.112 0.000 1.086 711 F CA 0.728 58.787 58.000 0.099 0.000 1.375 711 F CB -0.119 38.919 39.000 0.063 0.000 1.045 711 F HN 0.148 nan 8.300 nan 0.000 0.516 712 Y N 0.914 121.313 120.300 0.165 0.000 2.200 712 Y HA -0.226 4.319 4.550 -0.009 0.000 0.290 712 Y C 2.422 178.349 175.900 0.045 0.000 1.137 712 Y CA 1.995 60.148 58.100 0.090 0.000 1.163 712 Y CB -0.935 37.556 38.460 0.052 0.000 0.988 712 Y HN -0.112 nan 8.280 nan 0.000 0.518 713 T N 1.385 115.950 114.554 0.018 0.000 2.788 713 T HA -0.178 4.167 4.350 -0.008 0.000 0.268 713 T C 1.962 176.530 174.700 -0.219 0.000 1.044 713 T CA 1.982 63.947 62.100 -0.226 0.000 1.139 713 T CB -0.409 68.189 68.868 -0.450 0.000 0.867 713 T HN 0.378 nan 8.240 nan 0.000 0.454 714 I N 0.510 121.052 120.570 -0.047 0.000 2.315 714 I HA -0.150 4.015 4.170 -0.008 0.000 0.248 714 I C 2.541 178.651 176.117 -0.012 0.000 1.117 714 I CA 1.222 62.526 61.300 0.008 0.000 1.404 714 I CB -0.265 37.823 38.000 0.147 0.000 1.071 714 I HN 0.192 nan 8.210 nan 0.000 0.419 715 K N 0.467 120.857 120.400 -0.017 0.000 2.057 715 K HA -0.165 4.151 4.320 -0.008 0.000 0.207 715 K C 2.040 178.592 176.600 -0.080 0.000 1.049 715 K CA 1.103 57.375 56.287 -0.025 0.000 0.931 715 K CB -0.100 32.388 32.500 -0.021 0.000 0.714 715 K HN 0.235 nan 8.250 nan 0.000 0.440 716 E N 0.126 120.187 120.200 -0.231 0.000 2.110 716 E HA -0.122 4.223 4.350 -0.008 0.000 0.193 716 E C 2.159 178.729 176.600 -0.051 0.000 0.988 716 E CA 1.145 57.428 56.400 -0.194 0.000 0.804 716 E CB -0.330 29.158 29.700 -0.352 0.000 0.745 716 E HN 0.452 nan 8.360 nan 0.000 0.458 717 G N 0.970 109.718 108.800 -0.086 0.000 2.418 717 G HA2 -0.232 3.723 3.960 -0.008 0.000 0.217 717 G HA3 -0.232 3.723 3.960 -0.008 0.000 0.217 717 G C 1.534 176.420 174.900 -0.024 0.000 1.158 717 G CA 0.707 45.774 45.100 -0.054 0.000 0.771 717 G HN 0.122 nan 8.290 nan 0.000 0.545 718 M N -0.588 119.007 119.600 -0.009 0.000 2.229 718 M HA 0.061 4.537 4.480 -0.008 0.000 0.264 718 M C 2.250 178.581 176.300 0.050 0.000 1.063 718 M CA 0.502 55.805 55.300 0.006 0.000 1.114 718 M CB -1.038 31.582 32.600 0.032 0.000 1.387 718 M HN 0.423 nan 8.290 nan 0.000 0.420 719 Y N 1.468 121.740 120.300 -0.047 0.000 2.181 719 Y HA -0.194 4.352 4.550 -0.008 0.000 0.288 719 Y C 2.238 178.074 175.900 -0.107 0.000 1.146 719 Y CA 1.814 59.886 58.100 -0.047 0.000 1.164 719 Y CB -0.153 38.271 38.460 -0.061 0.000 0.982 719 Y HN 0.131 nan 8.280 nan 0.000 0.515 720 K N -0.042 120.260 120.400 -0.163 0.000 2.026 720 K HA -0.146 4.170 4.320 -0.008 0.000 0.208 720 K C 2.368 178.656 176.600 -0.520 0.000 1.048 720 K CA 1.095 57.110 56.287 -0.454 0.000 0.929 720 K CB -0.438 31.873 32.500 -0.313 0.000 0.713 720 K HN 0.404 nan 8.250 nan 0.000 0.439 721 A N 1.664 124.400 122.820 -0.140 0.000 1.883 721 A HA -0.166 4.149 4.320 -0.008 0.000 0.217 721 A C 2.164 179.839 177.584 0.151 0.000 1.186 721 A CA 1.390 53.501 52.037 0.124 0.000 0.624 721 A CB -0.752 18.304 19.000 0.093 0.000 0.822 721 A HN 0.172 nan 8.150 nan 0.000 0.444 722 L N -0.297 120.964 121.223 0.064 0.000 2.083 722 L HA -0.197 4.139 4.340 -0.008 0.000 0.209 722 L C 2.402 179.280 176.870 0.014 0.000 1.083 722 L CA 1.177 56.069 54.840 0.088 0.000 0.752 722 L CB -0.570 41.547 42.059 0.096 0.000 0.899 722 L HN 0.452 nan 8.230 nan 0.000 0.433 723 N N -0.646 117.916 118.700 -0.230 0.000 2.188 723 N HA -0.178 4.558 4.740 -0.008 0.000 0.184 723 N C 1.926 177.376 175.510 -0.100 0.000 1.018 723 N CA 1.319 54.194 53.050 -0.291 0.000 0.858 723 N CB -0.136 38.011 38.487 -0.567 0.000 0.989 723 N HN 0.434 nan 8.380 nan 0.000 0.426 724 Y N 1.456 121.728 120.300 -0.047 0.000 2.224 724 Y HA -0.152 4.394 4.550 -0.007 0.000 0.289 724 Y C 2.612 178.537 175.900 0.042 0.000 1.146 724 Y CA 0.433 58.537 58.100 0.006 0.000 1.182 724 Y CB 0.155 38.643 38.460 0.046 0.000 0.983 724 Y HN 0.045 nan 8.280 nan 0.000 0.524 725 Q N 0.063 119.973 119.800 0.184 0.000 2.084 725 Q HA -0.170 4.166 4.340 -0.008 0.000 0.202 725 Q C 2.557 178.715 176.000 0.263 0.000 0.978 725 Q CA 1.411 57.291 55.803 0.128 0.000 0.844 725 Q CB -0.705 27.949 28.738 -0.140 0.000 0.898 725 Q HN 0.521 nan 8.270 nan 0.000 0.426 726 A N 0.842 123.773 122.820 0.185 0.000 1.898 726 A HA -0.217 4.099 4.320 -0.008 0.000 0.216 726 A C 2.113 179.697 177.584 -0.001 0.000 1.181 726 A CA 1.508 53.475 52.037 -0.117 0.000 0.620 726 A CB -0.496 18.387 19.000 -0.194 0.000 0.819 726 A HN 0.393 nan 8.150 nan 0.000 0.442 727 Q N -0.602 119.221 119.800 0.039 0.000 2.124 727 Q HA -0.097 4.238 4.340 -0.008 0.000 0.202 727 Q C 2.393 178.546 176.000 0.254 0.000 0.977 727 Q CA 1.442 57.319 55.803 0.122 0.000 0.850 727 Q CB -0.386 28.427 28.738 0.126 0.000 0.901 727 Q HN 0.692 nan 8.270 nan 0.000 0.429 728 A N 0.668 123.643 122.820 0.258 0.000 1.898 728 A HA -0.164 4.152 4.320 -0.008 0.000 0.216 728 A C 2.016 179.672 177.584 0.120 0.000 1.181 728 A CA 1.113 53.274 52.037 0.207 0.000 0.620 728 A CB -0.581 18.518 19.000 0.165 0.000 0.819 728 A HN 0.354 nan 8.150 nan 0.000 0.442 729 L N 0.147 121.453 121.223 0.139 0.000 2.046 729 L HA -0.128 4.207 4.340 -0.008 0.000 0.208 729 L C 2.256 179.201 176.870 0.126 0.000 1.077 729 L CA 2.795 57.706 54.840 0.118 0.000 0.747 729 L CB -0.744 41.369 42.059 0.090 0.000 0.896 729 L HN 0.538 nan 8.230 nan 0.000 0.432 730 E N -0.310 119.980 120.200 0.149 0.000 2.085 730 E HA -0.306 4.039 4.350 -0.008 0.000 0.194 730 E C 2.096 178.861 176.600 0.275 0.000 0.994 730 E CA 1.573 58.112 56.400 0.232 0.000 0.801 730 E CB -0.202 29.708 29.700 0.351 0.000 0.743 730 E HN 0.583 nan 8.360 nan 0.000 0.453 731 E N 0.283 120.619 120.200 0.226 0.000 2.051 731 E HA -0.146 4.199 4.350 -0.008 0.000 0.192 731 E C 1.945 178.645 176.600 0.166 0.000 0.991 731 E CA 1.721 58.226 56.400 0.175 0.000 0.799 731 E CB -0.324 29.383 29.700 0.011 0.000 0.748 731 E HN 0.475 nan 8.360 nan 0.000 0.449 732 I N 0.235 120.890 120.570 0.142 0.000 2.179 732 I HA -0.260 3.905 4.170 -0.008 0.000 0.242 732 I C 2.324 178.665 176.117 0.374 0.000 1.088 732 I CA 1.035 62.458 61.300 0.205 0.000 1.357 732 I CB -0.314 37.799 38.000 0.190 0.000 1.051 732 I HN 0.169 nan 8.210 nan 0.000 0.409 733 I N 0.777 121.600 120.570 0.422 0.000 2.163 733 I HA -0.327 3.838 4.170 -0.008 0.000 0.243 733 I C 2.558 179.055 176.117 0.634 0.000 1.085 733 I CA 1.615 63.254 61.300 0.564 0.000 1.347 733 I CB -0.432 37.742 38.000 0.290 0.000 1.044 733 I HN 0.191 nan 8.210 nan 0.000 0.408 734 K N -0.089 120.641 120.400 0.550 0.000 2.032 734 K HA -0.258 4.058 4.320 -0.008 0.000 0.209 734 K C 2.242 179.045 176.600 0.338 0.000 1.048 734 K CA 1.922 58.503 56.287 0.489 0.000 0.927 734 K CB -0.495 32.206 32.500 0.335 0.000 0.712 734 K HN 0.239 nan 8.250 nan 0.000 0.441 735 Y N 2.010 122.402 120.300 0.154 0.000 2.114 735 Y HA -0.227 4.318 4.550 -0.008 0.000 0.284 735 Y C 2.197 178.058 175.900 -0.066 0.000 1.143 735 Y CA 1.489 59.603 58.100 0.024 0.000 1.135 735 Y CB 0.055 38.504 38.460 -0.018 0.000 0.980 735 Y HN -0.069 nan 8.280 nan 0.000 0.499 736 R N -0.765 119.727 120.500 -0.013 0.000 2.105 736 R HA -0.225 4.111 4.340 -0.008 0.000 0.239 736 R C 2.129 178.004 176.300 -0.710 0.000 1.135 736 R CA 1.718 57.624 56.100 -0.324 0.000 0.967 736 R CB -1.580 28.698 30.300 -0.036 0.000 0.861 736 R HN 0.536 nan 8.270 nan 0.000 0.442 737 Y N 1.962 122.009 120.300 -0.423 0.000 2.263 737 Y HA -0.020 4.526 4.550 -0.007 0.000 0.292 737 Y C 1.464 177.189 175.900 -0.292 0.000 1.130 737 Y CA 1.100 58.981 58.100 -0.363 0.000 1.179 737 Y CB -0.187 38.422 38.460 0.248 0.000 0.998 737 Y HN -0.014 nan 8.280 nan 0.000 0.532 738 N N 0.294 118.800 118.700 -0.323 0.000 2.521 738 N HA -0.045 4.691 4.740 -0.008 0.000 0.188 738 N C 1.410 176.627 175.510 -0.488 0.000 1.146 738 N CA 0.468 53.288 53.050 -0.384 0.000 0.893 738 N CB 0.087 38.450 38.487 -0.206 0.000 0.975 738 N HN 0.381 nan 8.380 nan 0.000 0.451 739 I N 0.133 120.282 120.570 -0.702 0.000 2.876 739 I HA -0.056 4.110 4.170 -0.008 0.000 0.264 739 I C 0.512 176.318 176.117 -0.519 0.000 1.204 739 I CA 0.346 61.240 61.300 -0.676 0.000 1.485 739 I CB -0.566 36.936 38.000 -0.831 0.000 1.103 739 I HN 0.012 nan 8.210 nan 0.000 0.446 740 Y N 1.397 121.466 120.300 -0.385 0.000 2.314 740 Y HA 0.094 4.640 4.550 -0.008 0.000 0.334 740 Y C 1.588 177.317 175.900 -0.284 0.000 1.266 740 Y CA -0.754 57.150 58.100 -0.327 0.000 1.391 740 Y CB 0.551 38.783 38.460 -0.379 0.000 1.306 740 Y HN 0.013 nan 8.280 nan 0.000 0.558 741 S N 0.249 115.936 115.700 -0.022 0.000 2.624 741 S HA 0.082 4.548 4.470 -0.008 0.000 0.263 741 S C 0.789 175.335 174.600 -0.090 0.000 1.287 741 S CA -0.815 57.343 58.200 -0.070 0.000 0.990 741 S CB 1.045 64.215 63.200 -0.051 0.000 0.950 741 S HN 0.676 nan 8.310 nan 0.000 0.561 742 E N 0.662 120.813 120.200 -0.082 0.000 2.110 742 E HA -0.106 4.240 4.350 -0.008 0.000 0.193 742 E C 1.760 178.329 176.600 -0.051 0.000 0.988 742 E CA 0.749 57.106 56.400 -0.072 0.000 0.804 742 E CB -0.272 29.397 29.700 -0.053 0.000 0.745 742 E HN 0.561 nan 8.360 nan 0.000 0.458 743 K N 1.384 121.757 120.400 -0.046 0.000 2.057 743 K HA -0.156 4.159 4.320 -0.008 0.000 0.207 743 K C 1.842 178.415 176.600 -0.046 0.000 1.049 743 K CA 1.248 57.513 56.287 -0.037 0.000 0.931 743 K CB -0.032 32.446 32.500 -0.036 0.000 0.714 743 K HN 0.210 nan 8.250 nan 0.000 0.440 744 E N 0.216 120.375 120.200 -0.069 0.000 2.072 744 E HA -0.139 4.207 4.350 -0.008 0.000 0.191 744 E C 2.100 178.644 176.600 -0.093 0.000 0.985 744 E CA 1.013 57.347 56.400 -0.111 0.000 0.801 744 E CB 0.003 29.599 29.700 -0.174 0.000 0.750 744 E HN 0.275 nan 8.360 nan 0.000 0.452 745 K N 0.650 121.002 120.400 -0.080 0.000 2.103 745 K HA -0.092 4.223 4.320 -0.008 0.000 0.207 745 K C 2.327 178.990 176.600 0.104 0.000 1.048 745 K CA 1.243 57.529 56.287 -0.001 0.000 0.930 745 K CB -0.078 32.333 32.500 -0.147 0.000 0.716 745 K HN -0.059 nan 8.250 nan 0.000 0.444 746 S N 1.347 117.072 115.700 0.042 0.000 2.400 746 S HA -0.078 4.387 4.470 -0.008 0.000 0.232 746 S C 1.291 175.923 174.600 0.053 0.000 1.025 746 S CA 1.074 59.305 58.200 0.051 0.000 0.993 746 S CB -0.135 63.077 63.200 0.020 0.000 0.808 746 S HN 0.317 nan 8.310 nan 0.000 0.478 747 N N 0.543 119.263 118.700 0.034 0.000 2.280 747 N HA 0.255 4.991 4.740 -0.008 0.000 0.192 747 N C -0.174 175.366 175.510 0.049 0.000 1.109 747 N CA 0.145 53.211 53.050 0.027 0.000 0.855 747 N CB 0.334 38.819 38.487 -0.003 0.000 0.974 747 N HN 0.391 nan 8.380 nan 0.000 0.482 748 I N 1.481 122.113 120.570 0.103 0.000 2.342 748 I HA 0.059 4.224 4.170 -0.008 0.000 0.291 748 I C 0.322 176.535 176.117 0.161 0.000 1.010 748 I CA -0.523 60.876 61.300 0.166 0.000 1.308 748 I CB 0.721 38.917 38.000 0.328 0.000 1.400 748 I HN -0.177 nan 8.210 nan 0.000 0.488 749 N N 8.187 126.951 118.700 0.107 0.000 2.719 749 N HA 0.318 5.054 4.740 -0.008 0.000 0.243 749 N C -1.135 174.395 175.510 0.033 0.000 1.104 749 N CA -0.097 52.990 53.050 0.063 0.000 0.981 749 N CB 0.207 38.713 38.487 0.032 0.000 1.290 749 N HN 0.320 nan 8.380 nan 0.000 0.513 750 I N 0.960 121.551 120.570 0.035 0.000 2.647 750 I HA 0.308 4.473 4.170 -0.008 0.000 0.295 750 I C -0.622 175.483 176.117 -0.019 0.000 1.078 750 I CA -0.638 60.633 61.300 -0.048 0.000 1.048 750 I CB 2.111 40.052 38.000 -0.098 0.000 1.239 750 I HN 0.368 nan 8.210 nan 0.000 0.421 751 D N 4.925 125.277 120.400 -0.081 0.000 2.408 751 D HA 0.227 4.863 4.640 -0.008 0.000 0.261 751 D C 0.660 176.917 176.300 -0.071 0.000 1.190 751 D CA -0.391 53.593 54.000 -0.026 0.000 0.910 751 D CB 0.660 41.434 40.800 -0.045 0.000 1.097 751 D HN 0.220 nan 8.370 nan 0.000 0.522 752 F N 1.624 121.492 119.950 -0.137 0.000 2.236 752 F HA -0.162 4.360 4.527 -0.007 0.000 0.302 752 F C 2.153 177.833 175.800 -0.199 0.000 1.073 752 F CA 0.995 58.898 58.000 -0.161 0.000 1.336 752 F CB -0.012 38.908 39.000 -0.133 0.000 1.040 752 F HN 0.357 nan 8.300 nan 0.000 0.507 753 N N -0.489 118.208 118.700 -0.005 0.000 2.354 753 N HA -0.161 4.574 4.740 -0.008 0.000 0.179 753 N C 1.735 177.168 175.510 -0.128 0.000 1.021 753 N CA 1.118 54.116 53.050 -0.086 0.000 0.887 753 N CB -0.412 38.051 38.487 -0.040 0.000 0.974 753 N HN 0.394 nan 8.380 nan 0.000 0.437 754 D N 1.221 121.552 120.400 -0.115 0.000 2.194 754 D HA -0.007 4.629 4.640 -0.008 0.000 0.204 754 D C 1.961 178.162 176.300 -0.165 0.000 0.964 754 D CA 0.258 54.188 54.000 -0.117 0.000 0.846 754 D CB 0.307 41.049 40.800 -0.097 0.000 0.962 754 D HN 0.179 nan 8.370 nan 0.000 0.490 755 I N 1.080 121.510 120.570 -0.232 0.000 2.179 755 I HA -0.257 3.908 4.170 -0.008 0.000 0.242 755 I C 2.100 178.044 176.117 -0.289 0.000 1.088 755 I CA 0.791 61.916 61.300 -0.291 0.000 1.357 755 I CB -0.309 37.432 38.000 -0.431 0.000 1.051 755 I HN -0.031 nan 8.210 nan 0.000 0.409 756 N N 0.194 118.654 118.700 -0.400 0.000 2.244 756 N HA -0.160 4.576 4.740 -0.008 0.000 0.183 756 N C 1.969 177.322 175.510 -0.261 0.000 1.016 756 N CA 1.413 54.085 53.050 -0.630 0.000 0.866 756 N CB -0.398 37.286 38.487 -1.337 0.000 0.980 756 N HN 0.233 nan 8.380 nan 0.000 0.430 757 S N 0.847 116.440 115.700 -0.177 0.000 2.382 757 S HA -0.039 4.426 4.470 -0.008 0.000 0.228 757 S C 1.689 176.278 174.600 -0.018 0.000 1.027 757 S CA 1.046 59.211 58.200 -0.059 0.000 0.991 757 S CB 0.091 63.258 63.200 -0.056 0.000 0.823 757 S HN 0.241 nan 8.310 nan 0.000 0.469 758 K N 0.347 120.715 120.400 -0.053 0.000 2.167 758 K HA 0.139 4.454 4.320 -0.008 0.000 0.203 758 K C 2.059 178.670 176.600 0.018 0.000 1.052 758 K CA 0.924 57.197 56.287 -0.024 0.000 0.956 758 K CB -0.196 32.267 32.500 -0.061 0.000 0.735 758 K HN 0.373 nan 8.250 nan 0.000 0.451 759 L N 1.366 122.578 121.223 -0.018 0.000 2.044 759 L HA -0.173 4.163 4.340 -0.008 0.000 0.205 759 L C 2.489 179.443 176.870 0.140 0.000 1.075 759 L CA 0.962 55.784 54.840 -0.030 0.000 0.747 759 L CB -0.637 41.317 42.059 -0.175 0.000 0.903 759 L HN 0.333 nan 8.230 nan 0.000 0.435 760 N N 0.557 119.369 118.700 0.186 0.000 2.149 760 N HA -0.268 4.468 4.740 -0.008 0.000 0.188 760 N C 1.828 177.436 175.510 0.164 0.000 1.019 760 N CA 1.829 55.004 53.050 0.209 0.000 0.857 760 N CB 0.134 38.772 38.487 0.252 0.000 0.997 760 N HN 0.285 nan 8.380 nan 0.000 0.426 761 E N 0.227 120.503 120.200 0.127 0.000 2.051 761 E HA -0.052 4.293 4.350 -0.008 0.000 0.192 761 E C 1.939 178.614 176.600 0.125 0.000 0.991 761 E CA 1.774 58.238 56.400 0.107 0.000 0.799 761 E CB -1.039 28.703 29.700 0.070 0.000 0.748 761 E HN 0.424 nan 8.360 nan 0.000 0.449 762 G N 0.826 109.719 108.800 0.155 0.000 2.442 762 G HA2 -0.230 3.725 3.960 -0.008 0.000 0.219 762 G HA3 -0.230 3.725 3.960 -0.008 0.000 0.219 762 G C 1.731 176.749 174.900 0.196 0.000 1.141 762 G CA 1.026 46.230 45.100 0.174 0.000 0.763 762 G HN 0.343 nan 8.290 nan 0.000 0.554 763 I N 0.852 121.571 120.570 0.249 0.000 2.202 763 I HA -0.162 4.003 4.170 -0.008 0.000 0.242 763 I C 2.509 178.737 176.117 0.185 0.000 1.091 763 I CA 0.811 62.247 61.300 0.226 0.000 1.368 763 I CB -0.263 37.856 38.000 0.200 0.000 1.058 763 I HN 0.088 nan 8.210 nan 0.000 0.410 764 N N 0.876 119.677 118.700 0.169 0.000 2.104 764 N HA -0.211 4.524 4.740 -0.008 0.000 0.190 764 N C 1.836 177.423 175.510 0.129 0.000 1.024 764 N CA 1.354 54.496 53.050 0.153 0.000 0.853 764 N CB -0.386 38.181 38.487 0.133 0.000 1.008 764 N HN 0.483 nan 8.380 nan 0.000 0.424 765 Q N 0.508 120.376 119.800 0.112 0.000 2.061 765 Q HA -0.047 4.289 4.340 -0.008 0.000 0.204 765 Q C 2.158 178.215 176.000 0.094 0.000 0.984 765 Q CA 1.679 57.535 55.803 0.088 0.000 0.846 765 Q CB -0.208 28.572 28.738 0.070 0.000 0.902 765 Q HN 0.405 nan 8.270 nan 0.000 0.421 766 A N 1.110 124.001 122.820 0.119 0.000 1.877 766 A HA -0.183 4.133 4.320 -0.008 0.000 0.216 766 A C 2.035 179.701 177.584 0.137 0.000 1.186 766 A CA 1.193 53.314 52.037 0.139 0.000 0.620 766 A CB -0.546 18.575 19.000 0.201 0.000 0.822 766 A HN 0.262 nan 8.150 nan 0.000 0.443 767 I N 0.691 121.355 120.570 0.156 0.000 2.264 767 I HA -0.215 3.950 4.170 -0.008 0.000 0.248 767 I C 1.787 177.978 176.117 0.122 0.000 1.111 767 I CA 1.582 62.977 61.300 0.158 0.000 1.382 767 I CB -1.456 36.665 38.000 0.201 0.000 1.060 767 I HN 0.326 nan 8.210 nan 0.000 0.418 768 D N 0.839 121.303 120.400 0.108 0.000 2.097 768 D HA -0.158 4.477 4.640 -0.008 0.000 0.195 768 D C 1.882 178.233 176.300 0.085 0.000 0.989 768 D CA 1.002 55.057 54.000 0.091 0.000 0.827 768 D CB -0.308 40.540 40.800 0.079 0.000 0.966 768 D HN 0.327 nan 8.370 nan 0.000 0.456 769 N N 0.855 119.599 118.700 0.073 0.000 2.069 769 N HA -0.100 4.636 4.740 -0.008 0.000 0.191 769 N C 2.186 177.744 175.510 0.081 0.000 1.031 769 N CA 0.544 53.627 53.050 0.054 0.000 0.852 769 N CB -0.298 38.196 38.487 0.011 0.000 1.018 769 N HN 0.289 nan 8.380 nan 0.000 0.423 770 I N 1.345 121.964 120.570 0.082 0.000 2.226 770 I HA -0.234 3.931 4.170 -0.008 0.000 0.245 770 I C 1.684 177.894 176.117 0.155 0.000 1.100 770 I CA 0.847 62.218 61.300 0.118 0.000 1.374 770 I CB -0.265 37.793 38.000 0.096 0.000 1.057 770 I HN 0.072 nan 8.210 nan 0.000 0.413 771 N N 1.063 119.835 118.700 0.120 0.000 2.120 771 N HA -0.153 4.583 4.740 -0.008 0.000 0.188 771 N C 1.570 177.141 175.510 0.102 0.000 1.024 771 N CA 1.170 54.284 53.050 0.106 0.000 0.852 771 N CB -0.516 38.029 38.487 0.097 0.000 1.003 771 N HN 0.358 nan 8.380 nan 0.000 0.424 772 N N 0.307 119.075 118.700 0.113 0.000 2.188 772 N HA -0.110 4.625 4.740 -0.008 0.000 0.184 772 N C 1.607 177.189 175.510 0.120 0.000 1.018 772 N CA 0.421 53.536 53.050 0.108 0.000 0.858 772 N CB -0.463 38.086 38.487 0.103 0.000 0.989 772 N HN 0.206 nan 8.380 nan 0.000 0.426 773 F N 2.155 122.099 119.950 -0.009 0.000 2.102 773 F HA -0.071 4.451 4.527 -0.009 0.000 0.298 773 F C 2.057 177.829 175.800 -0.047 0.000 1.105 773 F CA 1.002 58.980 58.000 -0.038 0.000 1.239 773 F CB -0.240 38.708 39.000 -0.086 0.000 0.991 773 F HN -0.134 nan 8.300 nan 0.000 0.474 774 I N 0.764 121.227 120.570 -0.179 0.000 2.252 774 I HA -0.271 3.894 4.170 -0.008 0.000 0.245 774 I C 1.999 177.907 176.117 -0.348 0.000 1.102 774 I CA 1.116 62.218 61.300 -0.331 0.000 1.385 774 I CB -1.627 36.353 38.000 -0.033 0.000 1.064 774 I HN 0.212 nan 8.210 nan 0.000 0.414 775 N N 1.373 120.003 118.700 -0.117 0.000 2.149 775 N HA -0.127 4.608 4.740 -0.008 0.000 0.188 775 N C 1.997 177.481 175.510 -0.043 0.000 1.019 775 N CA 1.571 54.604 53.050 -0.029 0.000 0.857 775 N CB -0.682 37.848 38.487 0.071 0.000 0.997 775 N HN 0.418 nan 8.380 nan 0.000 0.426 776 G N 0.249 109.010 108.800 -0.064 0.000 2.418 776 G HA2 -0.231 3.725 3.960 -0.008 0.000 0.217 776 G HA3 -0.231 3.725 3.960 -0.008 0.000 0.217 776 G C 1.880 176.736 174.900 -0.073 0.000 1.158 776 G CA 0.926 46.036 45.100 0.016 0.000 0.771 776 G HN 0.362 nan 8.290 nan 0.000 0.545 777 C N 0.094 119.183 119.300 -0.352 0.000 2.425 777 C HA 0.016 4.472 4.460 -0.008 0.000 0.277 777 C C 3.334 178.074 174.990 -0.417 0.000 1.280 777 C CA 1.234 60.007 59.018 -0.409 0.000 1.744 777 C CB -0.760 26.554 27.740 -0.710 0.000 1.989 777 C HN 0.474 nan 8.230 nan 0.000 0.491 778 S N 0.434 115.790 115.700 -0.574 0.000 2.356 778 S HA -0.127 4.339 4.470 -0.008 0.000 0.223 778 S C 1.853 176.636 174.600 0.304 0.000 1.032 778 S CA 1.880 60.046 58.200 -0.056 0.000 1.005 778 S CB -0.182 63.096 63.200 0.128 0.000 0.867 778 S HN 0.406 nan 8.310 nan 0.000 0.449 779 V N 1.339 121.315 119.914 0.102 0.000 2.407 779 V HA -0.098 4.018 4.120 -0.008 0.000 0.248 779 V C 2.674 178.498 176.094 -0.450 0.000 1.055 779 V CA 1.934 64.103 62.300 -0.218 0.000 1.049 779 V CB -1.096 30.552 31.823 -0.292 0.000 0.662 779 V HN 0.615 nan 8.190 nan 0.000 0.455 780 S N -0.869 114.699 115.700 -0.221 0.000 2.359 780 S HA -0.284 4.182 4.470 -0.008 0.000 0.224 780 S C 2.010 176.556 174.600 -0.090 0.000 1.035 780 S CA 1.984 60.135 58.200 -0.083 0.000 1.018 780 S CB -0.463 62.795 63.200 0.097 0.000 0.876 780 S HN 0.656 nan 8.310 nan 0.000 0.448 781 Y N 1.474 121.736 120.300 -0.063 0.000 2.181 781 Y HA -0.077 4.468 4.550 -0.009 0.000 0.288 781 Y C 2.141 177.969 175.900 -0.119 0.000 1.146 781 Y CA 1.840 59.938 58.100 -0.003 0.000 1.164 781 Y CB -0.567 38.026 38.460 0.221 0.000 0.982 781 Y HN 0.376 nan 8.280 nan 0.000 0.515 782 L N -0.441 120.683 121.223 -0.165 0.000 2.012 782 L HA -0.256 4.079 4.340 -0.008 0.000 0.210 782 L C 2.003 178.605 176.870 -0.447 0.000 1.073 782 L CA 2.000 56.534 54.840 -0.510 0.000 0.748 782 L CB -0.639 40.685 42.059 -1.225 0.000 0.891 782 L HN 0.197 nan 8.230 nan 0.000 0.431 783 M N -0.804 118.567 119.600 -0.382 0.000 2.254 783 M HA -0.093 4.382 4.480 -0.008 0.000 0.265 783 M C 2.107 178.323 176.300 -0.140 0.000 1.066 783 M CA 1.556 56.722 55.300 -0.223 0.000 1.123 783 M CB -0.831 31.675 32.600 -0.156 0.000 1.388 783 M HN 0.312 nan 8.290 nan 0.000 0.425 784 K N -0.735 119.508 120.400 -0.261 0.000 2.335 784 K HA 0.077 4.393 4.320 -0.008 0.000 0.195 784 K C 1.536 177.937 176.600 -0.331 0.000 1.058 784 K CA 0.250 56.328 56.287 -0.349 0.000 0.988 784 K CB 0.683 32.842 32.500 -0.569 0.000 0.880 784 K HN 0.035 nan 8.250 nan 0.000 0.513 785 K N -0.203 119.909 120.400 -0.479 0.000 2.373 785 K HA 0.288 4.603 4.320 -0.008 0.000 0.200 785 K C 1.329 177.651 176.600 -0.462 0.000 1.054 785 K CA 0.377 56.313 56.287 -0.586 0.000 1.065 785 K CB 0.822 32.616 32.500 -1.176 0.000 0.886 785 K HN 0.128 nan 8.250 nan 0.000 0.546 786 M N -0.625 118.756 119.600 -0.366 0.000 2.902 786 M HA 0.155 4.631 4.480 -0.008 0.000 0.225 786 M C 1.561 177.728 176.300 -0.222 0.000 1.711 786 M CA 0.140 55.289 55.300 -0.252 0.000 1.213 786 M CB 0.136 32.610 32.600 -0.210 0.000 1.265 786 M HN -0.164 nan 8.290 nan 0.000 0.577 787 I N 1.403 121.811 120.570 -0.269 0.000 2.163 787 I HA -0.165 4.000 4.170 -0.008 0.000 0.243 787 I C -0.582 175.483 176.117 -0.087 0.000 1.085 787 I CA 2.001 63.157 61.300 -0.238 0.000 1.347 787 I CB -2.306 35.498 38.000 -0.327 0.000 1.044 787 I HN 0.116 nan 8.210 nan 0.000 0.408 788 P HA -0.113 nan 4.420 nan 0.000 0.218 788 P C 2.186 179.468 177.300 -0.031 0.000 1.148 788 P CA 1.169 64.273 63.100 0.006 0.000 0.822 788 P CB 0.003 31.738 31.700 0.058 0.000 0.784 789 L N -1.527 119.654 121.223 -0.071 0.000 2.201 789 L HA -0.094 4.242 4.340 -0.008 0.000 0.212 789 L C 2.334 179.143 176.870 -0.101 0.000 1.105 789 L CA 1.324 56.116 54.840 -0.080 0.000 0.775 789 L CB -0.928 41.075 42.059 -0.093 0.000 0.913 789 L HN -0.020 nan 8.230 nan 0.000 0.440 790 A N -0.461 122.287 122.820 -0.120 0.000 1.935 790 A HA -0.056 4.259 4.320 -0.008 0.000 0.214 790 A C 2.288 179.732 177.584 -0.234 0.000 1.178 790 A CA 0.828 52.761 52.037 -0.175 0.000 0.640 790 A CB -0.512 18.391 19.000 -0.162 0.000 0.825 790 A HN 0.141 nan 8.150 nan 0.000 0.447 791 V N 0.402 120.232 119.914 -0.139 0.000 2.392 791 V HA -0.294 3.821 4.120 -0.008 0.000 0.249 791 V C 2.498 178.510 176.094 -0.137 0.000 1.059 791 V CA 2.359 64.572 62.300 -0.145 0.000 1.051 791 V CB -0.697 31.165 31.823 0.064 0.000 0.658 791 V HN 0.794 nan 8.190 nan 0.000 0.455 792 E N 0.080 120.231 120.200 -0.082 0.000 2.058 792 E HA -0.252 4.094 4.350 -0.008 0.000 0.194 792 E C 2.271 178.825 176.600 -0.077 0.000 0.997 792 E CA 1.248 57.618 56.400 -0.051 0.000 0.801 792 E CB 0.012 29.690 29.700 -0.037 0.000 0.746 792 E HN 0.427 nan 8.360 nan 0.000 0.450 793 K N 0.343 120.667 120.400 -0.127 0.000 2.057 793 K HA -0.092 4.223 4.320 -0.008 0.000 0.206 793 K C 2.324 178.827 176.600 -0.163 0.000 1.050 793 K CA 0.748 56.959 56.287 -0.127 0.000 0.935 793 K CB -0.317 32.090 32.500 -0.155 0.000 0.715 793 K HN 0.293 nan 8.250 nan 0.000 0.439 794 L N 0.734 121.743 121.223 -0.357 0.000 2.093 794 L HA -0.137 4.199 4.340 -0.008 0.000 0.208 794 L C 2.429 179.227 176.870 -0.121 0.000 1.085 794 L CA 0.823 55.319 54.840 -0.574 0.000 0.755 794 L CB -0.398 40.684 42.059 -1.629 0.000 0.904 794 L HN 0.085 nan 8.230 nan 0.000 0.435 795 L N -0.542 120.667 121.223 -0.023 0.000 2.109 795 L HA -0.207 4.128 4.340 -0.008 0.000 0.207 795 L C 2.265 179.197 176.870 0.104 0.000 1.086 795 L CA 1.092 56.033 54.840 0.169 0.000 0.760 795 L CB -0.467 41.677 42.059 0.141 0.000 0.910 795 L HN 0.273 nan 8.230 nan 0.000 0.437 796 D N 0.103 120.534 120.400 0.052 0.000 2.097 796 D HA -0.279 4.357 4.640 -0.008 0.000 0.195 796 D C 2.021 178.350 176.300 0.049 0.000 0.989 796 D CA 1.236 55.258 54.000 0.037 0.000 0.827 796 D CB -0.088 40.725 40.800 0.022 0.000 0.966 796 D HN 0.213 nan 8.370 nan 0.000 0.456 797 F N 1.308 121.218 119.950 -0.066 0.000 2.095 797 F HA -0.185 4.337 4.527 -0.008 0.000 0.298 797 F C 1.798 177.566 175.800 -0.053 0.000 1.104 797 F CA 1.795 59.747 58.000 -0.081 0.000 1.232 797 F CB -0.531 38.394 39.000 -0.126 0.000 0.987 797 F HN -0.122 nan 8.300 nan 0.000 0.475 798 D N 0.071 120.401 120.400 -0.116 0.000 2.123 798 D HA -0.242 4.393 4.640 -0.008 0.000 0.196 798 D C 2.125 178.292 176.300 -0.222 0.000 0.992 798 D CA 1.499 55.389 54.000 -0.182 0.000 0.833 798 D CB -0.754 40.123 40.800 0.128 0.000 0.954 798 D HN 0.522 nan 8.370 nan 0.000 0.455 799 N N -0.473 118.155 118.700 -0.121 0.000 2.084 799 N HA -0.132 4.603 4.740 -0.008 0.000 0.190 799 N C 1.415 176.839 175.510 -0.142 0.000 1.030 799 N CA 1.501 54.493 53.050 -0.097 0.000 0.849 799 N CB 0.163 38.624 38.487 -0.043 0.000 1.012 799 N HN 0.036 nan 8.380 nan 0.000 0.423 800 T N 1.435 115.883 114.554 -0.177 0.000 2.788 800 T HA -0.135 4.211 4.350 -0.008 0.000 0.268 800 T C 1.801 176.353 174.700 -0.247 0.000 1.044 800 T CA 0.695 62.693 62.100 -0.169 0.000 1.139 800 T CB -0.220 68.569 68.868 -0.131 0.000 0.867 800 T HN 0.163 nan 8.240 nan 0.000 0.454 801 L N 1.054 122.001 121.223 -0.461 0.000 2.156 801 L HA 0.157 4.493 4.340 -0.008 0.000 0.208 801 L C 2.254 178.964 176.870 -0.267 0.000 1.095 801 L CA 1.652 56.199 54.840 -0.487 0.000 0.770 801 L CB -0.474 41.043 42.059 -0.904 0.000 0.914 801 L HN 0.062 nan 8.230 nan 0.000 0.439 802 K N 0.289 120.559 120.400 -0.217 0.000 1.985 802 K HA -0.249 4.067 4.320 -0.008 0.000 0.210 802 K C 2.152 178.708 176.600 -0.073 0.000 1.047 802 K CA 2.042 58.255 56.287 -0.123 0.000 0.932 802 K CB -0.128 32.314 32.500 -0.096 0.000 0.716 802 K HN 0.513 nan 8.250 nan 0.000 0.439 803 K N 0.220 120.580 120.400 -0.067 0.000 2.147 803 K HA -0.169 4.147 4.320 -0.008 0.000 0.205 803 K C 1.942 178.534 176.600 -0.013 0.000 1.049 803 K CA 1.583 57.851 56.287 -0.032 0.000 0.936 803 K CB -0.349 32.133 32.500 -0.030 0.000 0.722 803 K HN 0.068 nan 8.250 nan 0.000 0.446 804 N N 1.732 120.412 118.700 -0.033 0.000 2.043 804 N HA -0.151 4.584 4.740 -0.008 0.000 0.193 804 N C 1.811 177.351 175.510 0.050 0.000 1.037 804 N CA 1.515 54.566 53.050 0.001 0.000 0.851 804 N CB -0.182 38.281 38.487 -0.041 0.000 1.027 804 N HN 0.307 nan 8.380 nan 0.000 0.422 805 L N 0.568 121.801 121.223 0.017 0.000 2.056 805 L HA -0.089 4.247 4.340 -0.008 0.000 0.207 805 L C 2.503 179.444 176.870 0.119 0.000 1.078 805 L CA 0.626 55.507 54.840 0.069 0.000 0.749 805 L CB -0.369 41.697 42.059 0.011 0.000 0.901 805 L HN 0.162 nan 8.230 nan 0.000 0.433 806 L N -0.254 121.003 121.223 0.057 0.000 2.046 806 L HA -0.224 4.111 4.340 -0.008 0.000 0.208 806 L C 2.482 179.389 176.870 0.061 0.000 1.077 806 L CA 1.263 56.132 54.840 0.048 0.000 0.747 806 L CB -0.730 41.338 42.059 0.014 0.000 0.896 806 L HN 0.438 nan 8.230 nan 0.000 0.432 807 N N -0.156 118.585 118.700 0.068 0.000 2.244 807 N HA -0.251 4.484 4.740 -0.008 0.000 0.183 807 N C 1.998 177.567 175.510 0.098 0.000 1.016 807 N CA 1.135 54.223 53.050 0.063 0.000 0.866 807 N CB 0.020 38.541 38.487 0.056 0.000 0.980 807 N HN 0.334 nan 8.380 nan 0.000 0.430 808 Y N 1.527 121.839 120.300 0.020 0.000 2.200 808 Y HA 0.022 4.568 4.550 -0.007 0.000 0.290 808 Y C 2.259 178.184 175.900 0.042 0.000 1.137 808 Y CA 1.287 59.410 58.100 0.038 0.000 1.163 808 Y CB -0.283 38.208 38.460 0.052 0.000 0.988 808 Y HN 0.001 nan 8.280 nan 0.000 0.518 809 I N -0.059 120.570 120.570 0.099 0.000 2.394 809 I HA -0.266 3.899 4.170 -0.008 0.000 0.251 809 I C 2.313 178.401 176.117 -0.050 0.000 1.136 809 I CA 1.545 62.854 61.300 0.014 0.000 1.425 809 I CB -0.453 37.588 38.000 0.069 0.000 1.079 809 I HN 0.319 nan 8.210 nan 0.000 0.425 810 D N 1.399 121.781 120.400 -0.030 0.000 2.084 810 D HA -0.205 4.431 4.640 -0.008 0.000 0.194 810 D C 1.828 178.074 176.300 -0.089 0.000 0.990 810 D CA 1.398 55.371 54.000 -0.045 0.000 0.826 810 D CB 0.047 40.836 40.800 -0.020 0.000 0.971 810 D HN 0.409 nan 8.370 nan 0.000 0.453 811 E N -0.208 119.929 120.200 -0.106 0.000 2.409 811 E HA -0.065 4.280 4.350 -0.008 0.000 0.198 811 E C 0.947 177.431 176.600 -0.194 0.000 1.024 811 E CA 0.345 56.667 56.400 -0.130 0.000 0.861 811 E CB 0.086 29.725 29.700 -0.101 0.000 0.788 811 E HN 0.271 nan 8.360 nan 0.000 0.521 812 N N 0.794 119.361 118.700 -0.221 0.000 2.235 812 N HA 0.009 4.744 4.740 -0.008 0.000 0.231 812 N C 0.973 176.384 175.510 -0.165 0.000 1.177 812 N CA 0.038 52.972 53.050 -0.193 0.000 0.874 812 N CB 0.606 38.980 38.487 -0.189 0.000 1.097 812 N HN 0.225 nan 8.380 nan 0.000 0.518 813 K N 0.622 120.925 120.400 -0.162 0.000 2.089 813 K HA -0.134 4.181 4.320 -0.008 0.000 0.210 813 K C 1.750 178.271 176.600 -0.132 0.000 1.048 813 K CA 1.003 57.223 56.287 -0.111 0.000 0.926 813 K CB -0.251 32.191 32.500 -0.096 0.000 0.714 813 K HN 0.076 nan 8.250 nan 0.000 0.448 814 L N 0.344 121.411 121.223 -0.260 0.000 1.973 814 L HA -0.150 4.186 4.340 -0.008 0.000 0.208 814 L C 2.546 179.337 176.870 -0.133 0.000 1.073 814 L CA 1.529 56.211 54.840 -0.264 0.000 0.746 814 L CB -0.566 41.214 42.059 -0.465 0.000 0.891 814 L HN 0.185 nan 8.230 nan 0.000 0.433 815 Y N -0.577 119.711 120.300 -0.020 0.000 2.556 815 Y HA -0.208 4.337 4.550 -0.008 0.000 0.290 815 Y C 2.182 178.083 175.900 0.002 0.000 1.149 815 Y CA 0.156 58.251 58.100 -0.009 0.000 1.329 815 Y CB -0.185 38.267 38.460 -0.013 0.000 0.975 815 Y HN 0.229 nan 8.280 nan 0.000 0.561 816 L N -1.226 120.058 121.223 0.102 0.000 2.515 816 L HA 0.115 4.451 4.340 -0.008 0.000 0.223 816 L C 0.741 177.646 176.870 0.057 0.000 1.079 816 L CA -0.201 54.688 54.840 0.083 0.000 0.857 816 L CB -0.026 42.073 42.059 0.066 0.000 1.050 816 L HN 0.114 nan 8.230 nan 0.000 0.476 817 I N -0.125 120.462 120.570 0.028 0.000 4.909 817 I HA -0.331 3.835 4.170 -0.008 0.000 0.038 817 I C 1.163 177.295 176.117 0.024 0.000 0.635 817 I CA 1.295 62.605 61.300 0.017 0.000 0.201 817 I CB -1.576 36.438 38.000 0.024 0.000 0.318 817 I HN 0.171 nan 8.210 nan 0.000 0.151 818 G N 0.509 109.322 108.800 0.021 0.000 2.924 818 G HA2 0.435 4.391 3.960 -0.008 0.000 0.273 818 G HA3 0.435 4.391 3.960 -0.008 0.000 0.273 818 G C 0.479 175.402 174.900 0.039 0.000 0.734 818 G CA 0.525 45.639 45.100 0.023 0.000 2.065 818 G HN 1.261 nan 8.290 nan 0.000 0.580 819 S N -1.621 114.125 115.700 0.077 0.000 2.208 819 S HA 0.159 4.624 4.470 -0.008 0.000 0.234 819 S C 1.781 176.486 174.600 0.175 0.000 0.907 819 S CA 0.884 59.175 58.200 0.151 0.000 1.616 819 S CB -0.488 62.798 63.200 0.142 0.000 1.218 819 S HN 0.865 nan 8.310 nan 0.000 0.588 820 A N 1.437 124.317 122.820 0.100 0.000 2.125 820 A HA 0.071 4.386 4.320 -0.008 0.000 0.219 820 A C 1.962 179.586 177.584 0.066 0.000 1.156 820 A CA 1.943 54.023 52.037 0.071 0.000 0.671 820 A CB -0.555 18.464 19.000 0.031 0.000 0.794 820 A HN 0.546 nan 8.150 nan 0.000 0.459 821 E N -1.801 118.450 120.200 0.084 0.000 2.216 821 E HA -0.026 4.319 4.350 -0.008 0.000 0.192 821 E C 1.610 178.269 176.600 0.097 0.000 0.973 821 E CA 0.660 57.102 56.400 0.070 0.000 0.851 821 E CB -0.454 29.283 29.700 0.063 0.000 0.804 821 E HN 0.615 nan 8.360 nan 0.000 0.477 822 Y N 1.574 121.884 120.300 0.018 0.000 2.181 822 Y HA -0.112 4.433 4.550 -0.008 0.000 0.288 822 Y C 1.483 177.399 175.900 0.026 0.000 1.146 822 Y CA 2.153 60.264 58.100 0.020 0.000 1.164 822 Y CB 0.025 38.498 38.460 0.021 0.000 0.982 822 Y HN 0.074 nan 8.280 nan 0.000 0.515 823 E N -0.579 119.540 120.200 -0.135 0.000 2.385 823 E HA -0.081 4.264 4.350 -0.008 0.000 0.194 823 E C 1.885 178.425 176.600 -0.101 0.000 1.013 823 E CA 0.371 56.647 56.400 -0.207 0.000 0.866 823 E CB 0.067 29.750 29.700 -0.028 0.000 0.832 823 E HN 0.227 nan 8.360 nan 0.000 0.500 824 K N 1.116 121.491 120.400 -0.041 0.000 2.097 824 K HA -0.120 4.196 4.320 -0.008 0.000 0.206 824 K C 2.090 178.664 176.600 -0.044 0.000 1.049 824 K CA 1.707 57.983 56.287 -0.018 0.000 0.933 824 K CB -0.034 32.468 32.500 0.003 0.000 0.717 824 K HN 0.090 nan 8.250 nan 0.000 0.442 825 S N -0.548 115.111 115.700 -0.069 0.000 2.501 825 S HA 0.004 4.470 4.470 -0.008 0.000 0.220 825 S C 1.879 176.411 174.600 -0.114 0.000 0.997 825 S CA 0.408 58.565 58.200 -0.072 0.000 0.919 825 S CB -0.021 63.151 63.200 -0.047 0.000 0.778 825 S HN 0.292 nan 8.310 nan 0.000 0.523 826 K N 1.224 121.511 120.400 -0.189 0.000 2.097 826 K HA 0.015 4.330 4.320 -0.008 0.000 0.205 826 K C 1.699 178.233 176.600 -0.110 0.000 1.050 826 K CA 1.295 57.459 56.287 -0.204 0.000 0.938 826 K CB -0.212 32.108 32.500 -0.300 0.000 0.718 826 K HN 0.305 nan 8.250 nan 0.000 0.442 827 V N 1.558 121.422 119.914 -0.083 0.000 2.453 827 V HA -0.172 3.943 4.120 -0.008 0.000 0.247 827 V C 1.550 177.611 176.094 -0.055 0.000 1.048 827 V CA 1.748 64.015 62.300 -0.055 0.000 1.049 827 V CB -0.598 31.203 31.823 -0.035 0.000 0.672 827 V HN 0.367 nan 8.190 nan 0.000 0.457 828 N N 0.984 119.652 118.700 -0.052 0.000 2.142 828 N HA -0.158 4.578 4.740 -0.008 0.000 0.186 828 N C 1.813 177.298 175.510 -0.043 0.000 1.023 828 N CA 1.529 54.553 53.050 -0.043 0.000 0.852 828 N CB -0.265 38.201 38.487 -0.034 0.000 0.998 828 N HN 0.667 nan 8.380 nan 0.000 0.424 829 K N -1.065 119.306 120.400 -0.048 0.000 2.167 829 K HA -0.081 4.234 4.320 -0.008 0.000 0.203 829 K C 2.444 179.014 176.600 -0.050 0.000 1.052 829 K CA 1.357 57.618 56.287 -0.042 0.000 0.956 829 K CB -0.835 31.642 32.500 -0.039 0.000 0.735 829 K HN 0.339 nan 8.250 nan 0.000 0.451 830 Y N 2.233 122.498 120.300 -0.058 0.000 2.163 830 Y HA 0.119 4.665 4.550 -0.008 0.000 0.288 830 Y C 2.163 178.013 175.900 -0.083 0.000 1.136 830 Y CA 1.222 59.284 58.100 -0.064 0.000 1.147 830 Y CB -0.769 37.658 38.460 -0.054 0.000 0.987 830 Y HN 0.028 nan 8.280 nan 0.000 0.509 831 L N 0.049 121.226 121.223 -0.076 0.000 2.610 831 L HA -0.019 4.317 4.340 -0.008 0.000 0.232 831 L C 2.188 179.015 176.870 -0.071 0.000 1.149 831 L CA 0.951 55.741 54.840 -0.084 0.000 0.872 831 L CB -0.122 41.896 42.059 -0.069 0.000 0.992 831 L HN 0.356 nan 8.230 nan 0.000 0.447 832 K N 0.680 121.043 120.400 -0.062 0.000 2.044 832 K HA -0.018 4.297 4.320 -0.008 0.000 0.204 832 K C 0.929 177.499 176.600 -0.050 0.000 1.045 832 K CA 0.846 57.109 56.287 -0.040 0.000 0.951 832 K CB -0.111 32.373 32.500 -0.027 0.000 0.738 832 K HN 0.194 nan 8.250 nan 0.000 0.443 833 T N 1.472 115.983 114.554 -0.072 0.000 2.752 833 T HA 0.328 4.674 4.350 -0.008 0.000 0.295 833 T C 0.684 175.275 174.700 -0.182 0.000 0.923 833 T CA -0.706 61.345 62.100 -0.082 0.000 1.112 833 T CB -0.450 68.378 68.868 -0.067 0.000 0.884 833 T HN 0.262 nan 8.240 nan 0.000 0.525 834 I N 1.141 121.600 120.570 -0.186 0.000 2.577 834 I HA 0.467 4.632 4.170 -0.008 0.000 0.300 834 I C 0.436 176.378 176.117 -0.291 0.000 0.990 834 I CA -1.405 59.636 61.300 -0.432 0.000 1.283 834 I CB 1.226 39.080 38.000 -0.243 0.000 1.411 834 I HN 0.606 nan 8.210 nan 0.000 0.515 835 M N 6.055 125.385 119.600 -0.450 0.000 2.227 835 M HA 0.342 4.817 4.480 -0.008 0.000 0.349 835 M C -2.364 174.158 176.300 0.369 0.000 1.443 835 M CA -1.240 54.076 55.300 0.028 0.000 1.110 835 M CB 0.308 33.002 32.600 0.156 0.000 1.773 835 M HN 0.443 nan 8.290 nan 0.000 0.463 836 P HA 0.116 nan 4.420 nan 0.000 0.275 836 P C -1.282 176.198 177.300 0.301 0.000 1.228 836 P CA -0.280 62.988 63.100 0.280 0.000 0.786 836 P CB 0.378 32.175 31.700 0.162 0.000 0.927 837 F N 2.820 122.773 119.950 0.005 0.000 2.427 837 F HA 0.366 4.891 4.527 -0.004 0.000 0.352 837 F C -0.104 175.699 175.800 0.006 0.000 1.100 837 F CA -0.301 57.526 58.000 -0.288 0.000 1.191 837 F CB 0.381 38.995 39.000 -0.644 0.000 1.128 837 F HN 0.151 nan 8.300 nan 0.000 0.533 838 D N 6.091 125.987 120.400 -0.840 0.000 2.402 838 D HA 0.122 4.758 4.640 -0.008 0.000 0.252 838 D C 0.501 176.194 176.300 -1.012 0.000 1.294 838 D CA -0.469 53.119 54.000 -0.686 0.000 0.948 838 D CB 1.061 41.719 40.800 -0.237 0.000 1.202 838 D HN 0.564 nan 8.370 nan 0.000 0.561 839 L N 3.616 123.902 121.223 -1.561 0.000 2.129 839 L HA -0.161 4.174 4.340 -0.008 0.000 0.212 839 L C 1.981 178.614 176.870 -0.396 0.000 1.087 839 L CA 2.579 56.839 54.840 -0.967 0.000 0.757 839 L CB -0.702 40.606 42.059 -1.253 0.000 0.896 839 L HN 0.532 nan 8.230 nan 0.000 0.434 840 S N -1.291 114.203 115.700 -0.345 0.000 2.469 840 S HA -0.124 4.341 4.470 -0.008 0.000 0.238 840 S C 1.870 176.329 174.600 -0.234 0.000 0.998 840 S CA 1.035 59.125 58.200 -0.184 0.000 0.957 840 S CB -0.757 62.380 63.200 -0.104 0.000 0.764 840 S HN 0.435 nan 8.310 nan 0.000 0.514 841 I N 0.124 120.451 120.570 -0.404 0.000 2.676 841 I HA 0.012 4.178 4.170 -0.008 0.000 0.259 841 I C 1.175 176.890 176.117 -0.670 0.000 1.194 841 I CA 0.946 61.896 61.300 -0.583 0.000 1.473 841 I CB -1.331 36.164 38.000 -0.843 0.000 1.096 841 I HN 0.324 nan 8.210 nan 0.000 0.443 842 Y N 0.032 120.316 120.300 -0.028 0.000 2.467 842 Y HA 0.291 4.837 4.550 -0.008 0.000 0.250 842 Y C 1.003 176.921 175.900 0.031 0.000 1.155 842 Y CA -0.260 57.862 58.100 0.036 0.000 1.249 842 Y CB 0.370 38.893 38.460 0.105 0.000 1.146 842 Y HN -0.006 nan 8.280 nan 0.000 0.524 843 T N 0.121 114.714 114.554 0.064 0.000 2.893 843 T HA 0.265 4.610 4.350 -0.008 0.000 0.337 843 T C -1.055 173.653 174.700 0.013 0.000 1.587 843 T CA -0.740 61.398 62.100 0.064 0.000 1.066 843 T CB 0.478 69.419 68.868 0.121 0.000 1.414 843 T HN 0.273 nan 8.240 nan 0.000 0.488 844 N N 1.216 119.927 118.700 0.018 0.000 2.291 844 N HA 0.242 4.978 4.740 -0.008 0.000 0.244 844 N C -0.646 174.883 175.510 0.032 0.000 1.216 844 N CA -0.592 52.463 53.050 0.007 0.000 0.879 844 N CB 0.442 38.920 38.487 -0.015 0.000 1.167 844 N HN 0.601 nan 8.380 nan 0.000 0.515 845 D N -0.011 120.423 120.400 0.058 0.000 2.358 845 D HA 0.121 4.757 4.640 -0.008 0.000 0.258 845 D C 0.792 177.137 176.300 0.075 0.000 1.223 845 D CA 0.127 54.170 54.000 0.071 0.000 0.886 845 D CB 0.897 41.753 40.800 0.093 0.000 1.120 845 D HN 0.091 nan 8.370 nan 0.000 0.482 846 T N 4.486 119.079 114.554 0.065 0.000 2.665 846 T HA -0.185 4.161 4.350 -0.008 0.000 0.268 846 T C 1.868 176.621 174.700 0.089 0.000 1.035 846 T CA 0.651 62.793 62.100 0.069 0.000 1.151 846 T CB -0.065 68.838 68.868 0.058 0.000 0.862 846 T HN 0.490 nan 8.240 nan 0.000 0.438 847 I N 0.978 121.604 120.570 0.092 0.000 2.163 847 I HA -0.101 4.064 4.170 -0.008 0.000 0.243 847 I C 2.391 178.590 176.117 0.136 0.000 1.085 847 I CA 1.346 62.710 61.300 0.106 0.000 1.347 847 I CB -1.277 36.782 38.000 0.098 0.000 1.044 847 I HN 0.289 nan 8.210 nan 0.000 0.408 848 L N -0.164 121.145 121.223 0.144 0.000 2.056 848 L HA -0.193 4.142 4.340 -0.008 0.000 0.207 848 L C 2.554 179.553 176.870 0.214 0.000 1.078 848 L CA 0.896 55.855 54.840 0.199 0.000 0.749 848 L CB -0.404 41.772 42.059 0.194 0.000 0.901 848 L HN 0.144 nan 8.230 nan 0.000 0.433 849 I N 0.141 120.808 120.570 0.160 0.000 2.226 849 I HA -0.246 3.920 4.170 -0.008 0.000 0.245 849 I C 2.453 178.693 176.117 0.204 0.000 1.100 849 I CA 1.545 62.946 61.300 0.169 0.000 1.374 849 I CB -1.048 37.015 38.000 0.106 0.000 1.057 849 I HN 0.358 nan 8.210 nan 0.000 0.413 850 E N 0.243 120.538 120.200 0.157 0.000 2.110 850 E HA -0.214 4.132 4.350 -0.008 0.000 0.193 850 E C 2.311 179.010 176.600 0.166 0.000 0.988 850 E CA 1.134 57.617 56.400 0.138 0.000 0.804 850 E CB -0.144 29.621 29.700 0.108 0.000 0.745 850 E HN 0.430 nan 8.360 nan 0.000 0.458 851 M N -0.048 119.673 119.600 0.203 0.000 2.080 851 M HA -0.183 4.293 4.480 -0.008 0.000 0.260 851 M C 2.172 178.637 176.300 0.274 0.000 1.068 851 M CA 1.420 56.856 55.300 0.227 0.000 1.109 851 M CB -0.272 32.486 32.600 0.264 0.000 1.342 851 M HN 0.102 nan 8.290 nan 0.000 0.405 852 F N 1.567 121.588 119.950 0.118 0.000 2.075 852 F HA -0.241 4.285 4.527 -0.001 0.000 0.297 852 F C 2.137 178.008 175.800 0.118 0.000 1.113 852 F CA 1.691 59.743 58.000 0.086 0.000 1.218 852 F CB -0.590 38.430 39.000 0.035 0.000 0.984 852 F HN 0.170 nan 8.300 nan 0.000 0.472 853 N N 0.711 119.477 118.700 0.111 0.000 2.104 853 N HA -0.220 4.515 4.740 -0.008 0.000 0.190 853 N C 1.916 177.421 175.510 -0.009 0.000 1.024 853 N CA 1.461 54.506 53.050 -0.008 0.000 0.853 853 N CB -0.610 37.913 38.487 0.059 0.000 1.008 853 N HN 0.368 nan 8.380 nan 0.000 0.424 854 K N -0.034 120.401 120.400 0.059 0.000 2.032 854 K HA -0.199 4.116 4.320 -0.008 0.000 0.209 854 K C 2.128 178.754 176.600 0.043 0.000 1.048 854 K CA 1.089 57.409 56.287 0.055 0.000 0.927 854 K CB -0.314 32.240 32.500 0.089 0.000 0.712 854 K HN 0.140 nan 8.250 nan 0.000 0.441 855 Y N 1.925 122.189 120.300 -0.059 0.000 2.081 855 Y HA -0.258 4.287 4.550 -0.008 0.000 0.280 855 Y C 1.655 177.477 175.900 -0.131 0.000 1.163 855 Y CA 2.095 60.145 58.100 -0.082 0.000 1.135 855 Y CB -0.194 38.214 38.460 -0.086 0.000 0.970 855 Y HN 0.230 nan 8.280 nan 0.000 0.498 856 N N -0.307 118.353 118.700 -0.068 0.000 2.550 856 N HA -0.101 4.635 4.740 -0.008 0.000 0.186 856 N C 1.645 177.085 175.510 -0.116 0.000 1.110 856 N CA 1.154 54.118 53.050 -0.143 0.000 0.912 856 N CB -0.379 37.954 38.487 -0.256 0.000 0.968 856 N HN 0.495 nan 8.380 nan 0.000 0.448 857 S N -0.684 114.959 115.700 -0.095 0.000 2.575 857 S HA 0.134 4.600 4.470 -0.008 0.000 0.215 857 S C 0.356 174.911 174.600 -0.075 0.000 0.966 857 S CA -0.298 57.862 58.200 -0.066 0.000 0.911 857 S CB 0.090 63.267 63.200 -0.038 0.000 0.780 857 S HN 0.112 nan 8.310 nan 0.000 0.514 858 E N 0.922 121.048 120.200 -0.123 0.000 2.055 858 E HA 0.326 4.671 4.350 -0.008 0.000 0.274 858 E C 0.329 176.863 176.600 -0.110 0.000 0.949 858 E CA -0.372 55.955 56.400 -0.122 0.000 0.775 858 E CB 1.197 30.796 29.700 -0.168 0.000 1.097 858 E HN 0.200 nan 8.360 nan 0.000 0.404 859 I N 3.975 124.520 120.570 -0.043 0.000 2.315 859 I HA -0.307 3.858 4.170 -0.008 0.000 0.251 859 I C 1.457 177.639 176.117 0.109 0.000 1.125 859 I CA 1.596 62.910 61.300 0.025 0.000 1.392 859 I CB 0.068 38.074 38.000 0.009 0.000 1.065 859 I HN 0.621 nan 8.210 nan 0.000 0.424 860 L N 0.143 121.395 121.223 0.047 0.000 2.362 860 L HA -0.138 4.198 4.340 -0.008 0.000 0.219 860 L C 1.614 178.437 176.870 -0.077 0.000 1.134 860 L CA 0.613 55.473 54.840 0.034 0.000 0.807 860 L CB -0.870 41.188 42.059 -0.003 0.000 0.927 860 L HN 0.288 nan 8.230 nan 0.000 0.447 861 N N 0.033 118.637 118.700 -0.159 0.000 2.461 861 N HA -0.057 4.679 4.740 -0.008 0.000 0.188 861 N C 0.985 176.457 175.510 -0.063 0.000 1.134 861 N CA 0.467 53.371 53.050 -0.243 0.000 0.878 861 N CB -0.038 38.018 38.487 -0.717 0.000 0.972 861 N HN 0.399 nan 8.380 nan 0.000 0.456 862 N N 0.482 119.182 118.700 0.001 0.000 2.336 862 N HA 0.131 4.867 4.740 -0.008 0.000 0.189 862 N C 0.066 175.559 175.510 -0.028 0.000 1.113 862 N CA -0.011 53.082 53.050 0.072 0.000 0.858 862 N CB 1.096 39.690 38.487 0.177 0.000 0.970 862 N HN 0.231 nan 8.380 nan 0.000 0.471 863 I N 2.412 122.857 120.570 -0.208 0.000 2.436 863 I HA 0.035 4.200 4.170 -0.008 0.000 0.289 863 I C 1.563 177.606 176.117 -0.123 0.000 1.083 863 I CA 0.096 61.115 61.300 -0.467 0.000 1.372 863 I CB 0.587 38.270 38.000 -0.527 0.000 1.408 863 I HN 0.029 nan 8.210 nan 0.000 0.516 864 I N 4.577 125.054 120.570 -0.155 0.000 4.082 864 I HA 0.397 4.562 4.170 -0.008 0.000 0.337 864 I C -0.376 175.742 176.117 0.001 0.000 1.352 864 I CA 0.020 61.273 61.300 -0.079 0.000 1.097 864 I CB 0.696 38.473 38.000 -0.372 0.000 1.048 864 I HN 0.393 nan 8.210 nan 0.000 0.393 865 L N 1.566 122.789 121.223 -0.000 0.000 2.641 865 L HA 0.564 4.899 4.340 -0.008 0.000 0.261 865 L C -1.982 174.942 176.870 0.090 0.000 0.926 865 L CA -0.204 54.701 54.840 0.109 0.000 0.917 865 L CB 1.962 44.157 42.059 0.227 0.000 1.361 865 L HN 0.095 nan 8.230 nan 0.000 0.417 866 N N 4.803 123.578 118.700 0.126 0.000 2.653 866 N HA 0.391 5.127 4.740 -0.008 0.000 0.261 866 N C -1.724 173.898 175.510 0.186 0.000 1.216 866 N CA -0.278 52.848 53.050 0.128 0.000 0.784 866 N CB 1.020 39.521 38.487 0.024 0.000 1.327 866 N HN 0.609 nan 8.380 nan 0.000 0.539 867 L N 3.147 124.547 121.223 0.296 0.000 2.369 867 L HA 0.427 4.762 4.340 -0.008 0.000 0.279 867 L C 0.583 177.625 176.870 0.286 0.000 1.108 867 L CA -0.217 54.774 54.840 0.251 0.000 0.852 867 L CB 0.224 42.433 42.059 0.249 0.000 1.169 867 L HN 0.113 nan 8.230 nan 0.000 0.452 868 R N 2.380 123.006 120.500 0.210 0.000 2.795 868 R HA 0.328 4.664 4.340 -0.008 0.000 0.275 868 R C -1.061 175.369 176.300 0.217 0.000 0.981 868 R CA -1.066 55.187 56.100 0.256 0.000 0.917 868 R CB 1.919 32.344 30.300 0.207 0.000 1.202 868 R HN 0.348 nan 8.270 nan 0.000 0.469 869 Y N 1.708 122.089 120.300 0.135 0.000 2.359 869 Y HA 0.227 4.772 4.550 -0.008 0.000 0.330 869 Y C -0.523 175.416 175.900 0.065 0.000 1.143 869 Y CA 0.504 58.658 58.100 0.091 0.000 1.318 869 Y CB 0.700 39.219 38.460 0.099 0.000 1.234 869 Y HN 0.124 nan 8.280 nan 0.000 0.522 870 K N 5.516 125.628 120.400 -0.480 0.000 2.616 870 K HA 0.122 4.438 4.320 -0.008 0.000 0.255 870 K C -1.456 174.850 176.600 -0.490 0.000 0.995 870 K CA -0.606 55.480 56.287 -0.336 0.000 0.860 870 K CB 1.322 33.743 32.500 -0.133 0.000 1.264 870 K HN 0.868 nan 8.250 nan 0.000 0.451 871 D N 2.476 122.629 120.400 -0.412 0.000 2.803 871 D HA -0.222 4.413 4.640 -0.008 0.000 0.233 871 D C 0.041 176.142 176.300 -0.332 0.000 1.182 871 D CA 0.644 54.485 54.000 -0.265 0.000 0.726 871 D CB -0.557 40.164 40.800 -0.132 0.000 0.987 871 D HN 0.761 nan 8.370 nan 0.000 0.412 872 N N 0.628 119.023 118.700 -0.509 0.000 2.727 872 N HA -0.253 4.482 4.740 -0.008 0.000 0.249 872 N C -0.690 174.689 175.510 -0.217 0.000 1.048 872 N CA 1.546 54.470 53.050 -0.210 0.000 0.714 872 N CB -0.874 37.615 38.487 0.004 0.000 0.959 872 N HN 0.810 nan 8.380 nan 0.000 0.544 873 N N -0.650 117.809 118.700 -0.400 0.000 2.859 873 N HA 0.343 5.078 4.740 -0.008 0.000 0.250 873 N C -1.435 173.955 175.510 -0.200 0.000 1.341 873 N CA -0.593 52.329 53.050 -0.214 0.000 0.881 873 N CB 1.057 39.435 38.487 -0.182 0.000 1.516 873 N HN 0.001 nan 8.380 nan 0.000 0.503 874 L N 3.250 124.400 121.223 -0.121 0.000 2.307 874 L HA 0.651 4.987 4.340 -0.008 0.000 0.284 874 L C -0.285 176.534 176.870 -0.085 0.000 1.023 874 L CA -0.725 54.068 54.840 -0.077 0.000 0.810 874 L CB 1.267 43.246 42.059 -0.134 0.000 1.231 874 L HN 0.497 nan 8.230 nan 0.000 0.423 875 I N -1.426 119.121 120.570 -0.038 0.000 2.969 875 I HA 0.517 4.682 4.170 -0.008 0.000 0.307 875 I C -1.157 174.970 176.117 0.016 0.000 1.149 875 I CA -0.960 60.322 61.300 -0.030 0.000 1.008 875 I CB 2.356 40.329 38.000 -0.045 0.000 1.232 875 I HN 0.370 nan 8.210 nan 0.000 0.435 876 D N 3.862 124.275 120.400 0.022 0.000 2.317 876 D HA 0.351 4.987 4.640 -0.008 0.000 0.252 876 D C -0.069 176.244 176.300 0.020 0.000 1.174 876 D CA -0.114 53.917 54.000 0.052 0.000 0.866 876 D CB 1.162 42.005 40.800 0.072 0.000 1.127 876 D HN 0.654 nan 8.370 nan 0.000 0.467 877 L N 3.190 124.425 121.223 0.020 0.000 2.910 877 L HA 0.097 4.432 4.340 -0.008 0.000 0.252 877 L C 1.809 178.649 176.870 -0.050 0.000 1.195 877 L CA -0.115 54.710 54.840 -0.025 0.000 1.003 877 L CB -0.029 42.019 42.059 -0.019 0.000 1.328 877 L HN 0.431 nan 8.230 nan 0.000 0.540 878 S N -0.780 114.909 115.700 -0.019 0.000 2.481 878 S HA 0.005 4.470 4.470 -0.008 0.000 0.231 878 S C 1.668 176.184 174.600 -0.140 0.000 0.996 878 S CA 0.857 59.037 58.200 -0.032 0.000 0.942 878 S CB 0.169 63.419 63.200 0.084 0.000 0.768 878 S HN 0.564 nan 8.310 nan 0.000 0.520 879 G N -0.139 108.568 108.800 -0.156 0.000 2.194 879 G HA2 -0.273 3.683 3.960 -0.008 0.000 0.236 879 G HA3 -0.273 3.683 3.960 -0.008 0.000 0.236 879 G C 0.365 175.057 174.900 -0.347 0.000 0.987 879 G CA 0.262 45.194 45.100 -0.280 0.000 0.635 879 G HN 0.591 nan 8.290 nan 0.000 0.520 880 Y N 0.793 121.056 120.300 -0.061 0.000 2.466 880 Y HA 0.386 4.930 4.550 -0.010 0.000 0.272 880 Y C 2.082 177.956 175.900 -0.042 0.000 1.169 880 Y CA 0.681 58.749 58.100 -0.054 0.000 1.285 880 Y CB 0.671 39.106 38.460 -0.041 0.000 1.078 880 Y HN 0.906 nan 8.280 nan 0.000 0.523 881 G N 1.119 109.956 108.800 0.062 0.000 2.295 881 G HA2 -0.217 3.739 3.960 -0.008 0.000 0.287 881 G HA3 -0.217 3.739 3.960 -0.008 0.000 0.287 881 G C 0.245 175.175 174.900 0.050 0.000 1.055 881 G CA 0.002 45.121 45.100 0.033 0.000 0.922 881 G HN 0.600 nan 8.290 nan 0.000 0.503 882 A N -0.145 122.719 122.820 0.074 0.000 2.445 882 A HA 0.576 4.891 4.320 -0.008 0.000 0.242 882 A C 0.769 178.380 177.584 0.045 0.000 1.075 882 A CA 0.144 52.225 52.037 0.073 0.000 0.777 882 A CB 0.486 19.550 19.000 0.106 0.000 1.013 882 A HN 0.308 nan 8.150 nan 0.000 0.493 883 K N 1.247 121.670 120.400 0.038 0.000 2.234 883 K HA 0.459 4.775 4.320 -0.008 0.000 0.282 883 K C -0.966 175.639 176.600 0.008 0.000 1.039 883 K CA -0.260 56.034 56.287 0.012 0.000 0.928 883 K CB 1.398 33.903 32.500 0.009 0.000 1.039 883 K HN 0.338 nan 8.250 nan 0.000 0.470 884 V N 3.309 123.206 119.914 -0.028 0.000 2.407 884 V HA 0.204 4.319 4.120 -0.008 0.000 0.291 884 V C -0.184 175.837 176.094 -0.121 0.000 1.018 884 V CA -0.811 61.454 62.300 -0.059 0.000 0.842 884 V CB 1.733 33.512 31.823 -0.073 0.000 0.996 884 V HN 0.555 nan 8.190 nan 0.000 0.426 885 E N 3.711 123.820 120.200 -0.151 0.000 2.102 885 E HA 0.381 4.727 4.350 -0.008 0.000 0.263 885 E C -1.050 175.291 176.600 -0.433 0.000 0.894 885 E CA -0.381 55.828 56.400 -0.320 0.000 0.746 885 E CB 2.314 31.808 29.700 -0.343 0.000 1.129 885 E HN 0.418 nan 8.360 nan 0.000 0.416 886 V N 5.185 124.851 119.914 -0.414 0.000 2.348 886 V HA 0.191 4.306 4.120 -0.008 0.000 0.270 886 V C -0.222 175.649 176.094 -0.372 0.000 1.037 886 V CA -0.586 61.519 62.300 -0.324 0.000 0.872 886 V CB -0.360 31.324 31.823 -0.231 0.000 1.002 886 V HN 0.491 nan 8.190 nan 0.000 0.464 887 Y N 1.900 122.160 120.300 -0.066 0.000 2.299 887 Y HA 0.082 4.627 4.550 -0.008 0.000 0.335 887 Y C 1.584 177.460 175.900 -0.039 0.000 1.287 887 Y CA -0.066 58.008 58.100 -0.043 0.000 1.424 887 Y CB 0.380 38.820 38.460 -0.033 0.000 1.326 887 Y HN 0.621 nan 8.280 nan 0.000 0.567 888 D N 0.733 121.207 120.400 0.124 0.000 2.271 888 D HA -0.135 4.500 4.640 -0.008 0.000 0.207 888 D C 1.970 178.296 176.300 0.042 0.000 0.983 888 D CA 1.646 55.681 54.000 0.058 0.000 0.878 888 D CB -0.154 40.678 40.800 0.054 0.000 0.920 888 D HN 0.807 nan 8.370 nan 0.000 0.479 889 G N -0.812 108.020 108.800 0.053 0.000 2.985 889 G HA2 0.106 4.061 3.960 -0.008 0.000 0.209 889 G HA3 0.106 4.061 3.960 -0.008 0.000 0.209 889 G C 0.206 175.108 174.900 0.003 0.000 1.165 889 G CA -0.149 44.964 45.100 0.020 0.000 0.776 889 G HN 0.115 nan 8.290 nan 0.000 0.541 890 V N 0.689 120.610 119.914 0.012 0.000 2.407 890 V HA 0.290 4.406 4.120 -0.008 0.000 0.278 890 V C -0.030 176.064 176.094 -0.000 0.000 1.037 890 V CA -0.967 61.332 62.300 -0.003 0.000 0.900 890 V CB 1.744 33.555 31.823 -0.020 0.000 0.983 890 V HN 0.306 nan 8.190 nan 0.000 0.459 891 E N 4.694 124.877 120.200 -0.030 0.000 2.216 891 E HA 0.628 4.974 4.350 -0.008 0.000 0.279 891 E C -1.445 175.234 176.600 0.131 0.000 0.997 891 E CA -0.507 55.901 56.400 0.013 0.000 0.817 891 E CB 1.140 30.801 29.700 -0.064 0.000 1.096 891 E HN 0.586 nan 8.360 nan 0.000 0.393 892 L N 3.712 125.051 121.223 0.192 0.000 2.370 892 L HA 0.529 4.864 4.340 -0.008 0.000 0.266 892 L C -0.610 176.384 176.870 0.207 0.000 1.002 892 L CA -1.170 53.836 54.840 0.277 0.000 0.818 892 L CB 1.878 44.136 42.059 0.332 0.000 1.325 892 L HN 0.608 nan 8.230 nan 0.000 0.418 893 N N -1.654 117.080 118.700 0.055 0.000 2.571 893 N HA 0.273 5.008 4.740 -0.008 0.000 0.273 893 N C -0.418 174.639 175.510 -0.755 0.000 1.340 893 N CA -0.934 52.006 53.050 -0.183 0.000 0.789 893 N CB 0.787 39.240 38.487 -0.058 0.000 1.514 893 N HN 0.555 nan 8.380 nan 0.000 0.499 894 D N -1.017 118.935 120.400 -0.748 0.000 2.378 894 D HA -0.068 4.568 4.640 -0.008 0.000 0.227 894 D C 0.202 176.233 176.300 -0.448 0.000 1.012 894 D CA 0.761 54.242 54.000 -0.865 0.000 0.905 894 D CB -0.065 40.547 40.800 -0.314 0.000 0.895 894 D HN 0.595 nan 8.370 nan 0.000 0.532 895 K N -0.043 120.139 120.400 -0.364 0.000 2.417 895 K HA 0.103 4.418 4.320 -0.008 0.000 0.196 895 K C 0.112 176.528 176.600 -0.308 0.000 1.023 895 K CA -0.241 55.876 56.287 -0.284 0.000 1.122 895 K CB 0.007 32.333 32.500 -0.289 0.000 0.850 895 K HN -0.007 nan 8.250 nan 0.000 0.521 896 N N 1.840 120.387 118.700 -0.254 0.000 2.800 896 N HA -0.172 4.564 4.740 -0.008 0.000 0.250 896 N C -1.008 174.476 175.510 -0.043 0.000 1.078 896 N CA 0.962 53.950 53.050 -0.102 0.000 0.804 896 N CB -0.687 37.697 38.487 -0.171 0.000 1.135 896 N HN 0.453 nan 8.380 nan 0.000 0.565 897 Q N 0.196 120.000 119.800 0.006 0.000 2.241 897 Q HA 0.578 4.913 4.340 -0.008 0.000 0.254 897 Q C -0.187 176.135 176.000 0.536 0.000 0.917 897 Q CA -0.480 55.471 55.803 0.245 0.000 0.919 897 Q CB 0.886 29.772 28.738 0.246 0.000 1.237 897 Q HN 0.311 nan 8.270 nan 0.000 0.434 898 F N -1.063 119.191 119.950 0.506 0.000 2.576 898 F HA 0.654 5.176 4.527 -0.008 0.000 0.313 898 F C -0.975 174.856 175.800 0.052 0.000 1.078 898 F CA -1.272 56.885 58.000 0.261 0.000 0.921 898 F CB 1.447 40.523 39.000 0.126 0.000 1.232 898 F HN 0.239 nan 8.300 nan 0.000 0.459 899 K N 4.299 124.591 120.400 -0.180 0.000 2.274 899 K HA 0.643 4.958 4.320 -0.008 0.000 0.262 899 K C -1.769 174.712 176.600 -0.199 0.000 0.961 899 K CA -0.644 55.230 56.287 -0.689 0.000 0.833 899 K CB 1.358 32.890 32.500 -1.613 0.000 1.102 899 K HN 0.924 nan 8.250 nan 0.000 0.436 900 L N 4.267 125.446 121.223 -0.073 0.000 2.287 900 L HA 0.376 4.712 4.340 -0.008 0.000 0.287 900 L C 0.543 177.425 176.870 0.019 0.000 1.022 900 L CA -0.668 54.202 54.840 0.050 0.000 0.814 900 L CB 1.625 43.787 42.059 0.173 0.000 1.217 900 L HN 0.837 nan 8.230 nan 0.000 0.420 901 T N -2.116 112.440 114.554 0.003 0.000 2.844 901 T HA 0.222 4.568 4.350 -0.008 0.000 0.274 901 T C 1.052 175.759 174.700 0.012 0.000 0.991 901 T CA 0.002 62.116 62.100 0.023 0.000 0.983 901 T CB 1.428 70.284 68.868 -0.020 0.000 1.310 901 T HN 0.516 nan 8.240 nan 0.000 0.596 902 S N -0.560 115.142 115.700 0.004 0.000 2.603 902 S HA 0.166 4.631 4.470 -0.008 0.000 0.220 902 S C 0.752 175.340 174.600 -0.020 0.000 0.967 902 S CA -0.518 57.667 58.200 -0.024 0.000 0.920 902 S CB -0.592 62.589 63.200 -0.031 0.000 0.773 902 S HN 0.574 nan 8.310 nan 0.000 0.529 903 S N 1.550 117.242 115.700 -0.013 0.000 2.564 903 S HA 0.581 5.047 4.470 -0.008 0.000 0.278 903 S C 1.491 176.079 174.600 -0.019 0.000 1.333 903 S CA -0.063 58.128 58.200 -0.015 0.000 1.048 903 S CB 1.129 64.322 63.200 -0.012 0.000 0.900 903 S HN 0.575 nan 8.310 nan 0.000 0.505 904 A N 2.938 125.741 122.820 -0.028 0.000 1.978 904 A HA -0.164 4.152 4.320 -0.008 0.000 0.220 904 A C 1.684 179.233 177.584 -0.059 0.000 1.170 904 A CA 1.765 53.775 52.037 -0.045 0.000 0.636 904 A CB -0.589 18.380 19.000 -0.051 0.000 0.810 904 A HN 0.864 nan 8.150 nan 0.000 0.448 905 N N -0.725 117.954 118.700 -0.036 0.000 2.314 905 N HA 0.055 4.790 4.740 -0.008 0.000 0.200 905 N C 0.126 175.658 175.510 0.035 0.000 1.135 905 N CA 0.709 53.746 53.050 -0.021 0.000 0.835 905 N CB -0.365 38.129 38.487 0.013 0.000 0.989 905 N HN 0.109 nan 8.380 nan 0.000 0.478 906 S N 0.346 116.057 115.700 0.019 0.000 3.363 906 S HA 0.246 4.712 4.470 -0.008 0.000 0.267 906 S C -0.525 174.111 174.600 0.060 0.000 1.288 906 S CA -0.703 57.520 58.200 0.037 0.000 0.948 906 S CB -0.458 62.751 63.200 0.015 0.000 1.397 906 S HN 0.475 nan 8.310 nan 0.000 0.493 907 K N 3.826 124.290 120.400 0.106 0.000 2.551 907 K HA 0.554 4.870 4.320 -0.008 0.000 0.269 907 K C -1.776 174.961 176.600 0.228 0.000 0.949 907 K CA -0.794 55.576 56.287 0.138 0.000 0.849 907 K CB 1.286 33.808 32.500 0.038 0.000 1.411 907 K HN 0.427 nan 8.250 nan 0.000 0.432 908 I N 2.675 123.351 120.570 0.176 0.000 2.466 908 I HA 0.417 4.582 4.170 -0.008 0.000 0.289 908 I C -0.582 175.668 176.117 0.222 0.000 1.026 908 I CA -0.873 60.471 61.300 0.073 0.000 1.078 908 I CB 2.065 39.870 38.000 -0.325 0.000 1.249 908 I HN 0.512 nan 8.210 nan 0.000 0.429 909 R N 5.907 126.526 120.500 0.199 0.000 2.310 909 R HA 0.694 5.029 4.340 -0.008 0.000 0.324 909 R C -1.771 174.602 176.300 0.121 0.000 0.955 909 R CA -0.464 55.753 56.100 0.196 0.000 0.830 909 R CB 1.692 32.153 30.300 0.268 0.000 1.154 909 R HN 0.460 nan 8.270 nan 0.000 0.458 910 V N 3.756 123.759 119.914 0.150 0.000 2.448 910 V HA 0.319 4.434 4.120 -0.008 0.000 0.295 910 V C -0.220 175.941 176.094 0.111 0.000 1.025 910 V CA -0.613 61.769 62.300 0.137 0.000 0.859 910 V CB 2.033 33.995 31.823 0.232 0.000 0.988 910 V HN 0.761 nan 8.190 nan 0.000 0.431 911 T N 5.556 120.161 114.554 0.086 0.000 2.801 911 T HA 0.357 4.702 4.350 -0.008 0.000 0.306 911 T C -0.050 174.701 174.700 0.086 0.000 1.020 911 T CA -0.389 61.754 62.100 0.072 0.000 0.948 911 T CB 0.586 69.483 68.868 0.049 0.000 0.962 911 T HN 0.672 nan 8.240 nan 0.000 0.465 912 Q N 2.306 122.169 119.800 0.105 0.000 2.417 912 Q HA 0.194 4.529 4.340 -0.008 0.000 0.241 912 Q C 0.450 176.499 176.000 0.082 0.000 1.008 912 Q CA -0.730 55.141 55.803 0.115 0.000 0.901 912 Q CB 0.645 29.482 28.738 0.164 0.000 1.259 912 Q HN 0.438 nan 8.270 nan 0.000 0.489 913 N N 1.611 120.350 118.700 0.064 0.000 2.431 913 N HA -0.067 4.669 4.740 -0.008 0.000 0.265 913 N C 0.233 175.768 175.510 0.041 0.000 1.184 913 N CA 0.275 53.352 53.050 0.045 0.000 0.943 913 N CB 0.825 39.334 38.487 0.037 0.000 1.080 913 N HN 0.464 nan 8.380 nan 0.000 0.477 914 Q N 1.992 121.823 119.800 0.051 0.000 2.482 914 Q HA 0.061 4.396 4.340 -0.008 0.000 0.209 914 Q C -0.180 175.859 176.000 0.066 0.000 0.961 914 Q CA 0.564 56.406 55.803 0.064 0.000 0.945 914 Q CB 0.127 28.898 28.738 0.054 0.000 1.012 914 Q HN 0.563 nan 8.270 nan 0.000 0.515 915 N N 0.432 119.160 118.700 0.046 0.000 2.273 915 N HA 0.212 4.948 4.740 -0.008 0.000 0.231 915 N C -0.061 175.477 175.510 0.048 0.000 1.134 915 N CA 0.094 53.179 53.050 0.058 0.000 0.856 915 N CB 1.025 39.538 38.487 0.044 0.000 1.068 915 N HN 0.229 nan 8.380 nan 0.000 0.510 916 I N 0.661 121.230 120.570 -0.002 0.000 2.525 916 I HA 0.362 4.528 4.170 -0.008 0.000 0.301 916 I C 0.500 176.649 176.117 0.054 0.000 0.992 916 I CA -0.937 60.320 61.300 -0.073 0.000 1.162 916 I CB 1.998 39.784 38.000 -0.358 0.000 1.332 916 I HN -0.243 nan 8.210 nan 0.000 0.458 917 I N 5.095 125.718 120.570 0.088 0.000 2.471 917 I HA 0.005 4.170 4.170 -0.008 0.000 0.294 917 I C 0.359 176.594 176.117 0.196 0.000 1.123 917 I CA 0.896 62.294 61.300 0.165 0.000 1.336 917 I CB 0.041 38.149 38.000 0.180 0.000 1.430 917 I HN 0.689 nan 8.210 nan 0.000 0.533 918 F N 5.690 125.658 119.950 0.030 0.000 2.581 918 F HA 0.099 4.621 4.527 -0.009 0.000 0.278 918 F C 1.255 177.062 175.800 0.011 0.000 1.000 918 F CA -0.514 57.484 58.000 -0.003 0.000 1.230 918 F CB 0.620 39.593 39.000 -0.045 0.000 1.008 918 F HN 0.490 nan 8.300 nan 0.000 0.695 919 N N 1.970 120.777 118.700 0.178 0.000 3.178 919 N HA -0.038 4.697 4.740 -0.008 0.000 0.300 919 N C 0.415 176.013 175.510 0.147 0.000 1.242 919 N CA 0.588 53.679 53.050 0.068 0.000 1.192 919 N CB 0.292 38.799 38.487 0.034 0.000 1.463 919 N HN 0.182 nan 8.380 nan 0.000 0.539 920 S N -0.985 114.850 115.700 0.225 0.000 2.660 920 S HA -0.026 4.439 4.470 -0.008 0.000 0.228 920 S C 0.858 175.670 174.600 0.354 0.000 0.966 920 S CA -0.223 58.169 58.200 0.320 0.000 0.940 920 S CB -0.585 62.923 63.200 0.512 0.000 0.773 920 S HN 0.332 nan 8.310 nan 0.000 0.535 921 V N 0.314 120.381 119.914 0.255 0.000 5.831 921 V HA -0.236 3.879 4.120 -0.008 0.000 0.322 921 V C 0.077 176.383 176.094 0.353 0.000 0.451 921 V CA 1.408 63.834 62.300 0.210 0.000 0.687 921 V CB -3.070 28.824 31.823 0.118 0.000 0.395 921 V HN 1.073 nan 8.190 nan 0.000 1.284 922 F N -2.417 117.561 119.950 0.047 0.000 3.372 922 F HA 0.599 5.119 4.527 -0.012 0.000 0.358 922 F C -0.667 175.185 175.800 0.085 0.000 1.236 922 F CA -0.343 57.691 58.000 0.056 0.000 0.789 922 F CB -0.288 38.742 39.000 0.050 0.000 1.797 922 F HN 0.610 nan 8.300 nan 0.000 0.472 923 L N 2.581 123.650 121.223 -0.256 0.000 2.728 923 L HA 0.046 4.381 4.340 -0.008 0.000 0.527 923 L C -1.137 175.430 176.870 -0.506 0.000 1.002 923 L CA 1.204 55.908 54.840 -0.226 0.000 1.273 923 L CB -0.473 41.561 42.059 -0.041 0.000 1.435 923 L HN 0.774 nan 8.230 nan 0.000 0.711 924 D N 5.060 125.377 120.400 -0.138 0.000 2.491 924 D HA 0.530 5.165 4.640 -0.008 0.000 0.232 924 D C -0.957 175.520 176.300 0.294 0.000 1.334 924 D CA 0.400 54.335 54.000 -0.110 0.000 0.909 924 D CB 0.237 40.823 40.800 -0.358 0.000 1.513 924 D HN 0.547 nan 8.370 nan 0.000 0.514 925 F N -0.368 119.582 119.950 -0.000 0.000 2.741 925 F HA 0.821 5.343 4.527 -0.009 0.000 0.311 925 F C -1.477 174.293 175.800 -0.050 0.000 1.149 925 F CA -0.802 57.242 58.000 0.073 0.000 0.930 925 F CB 1.264 40.469 39.000 0.342 0.000 1.312 925 F HN -0.014 nan 8.300 nan 0.000 0.450 926 S N 0.827 116.433 115.700 -0.157 0.000 2.599 926 S HA 0.843 5.308 4.470 -0.008 0.000 0.287 926 S C -1.485 172.982 174.600 -0.221 0.000 1.105 926 S CA -0.816 57.153 58.200 -0.385 0.000 0.899 926 S CB 2.207 65.189 63.200 -0.362 0.000 1.100 926 S HN 0.648 nan 8.310 nan 0.000 0.482 927 V N 2.257 121.937 119.914 -0.390 0.000 2.638 927 V HA 0.790 4.905 4.120 -0.008 0.000 0.306 927 V C -0.518 175.420 176.094 -0.260 0.000 1.052 927 V CA -0.653 61.483 62.300 -0.274 0.000 0.885 927 V CB 1.732 33.365 31.823 -0.318 0.000 0.999 927 V HN 0.991 nan 8.190 nan 0.000 0.424 928 S N 4.504 120.125 115.700 -0.133 0.000 2.536 928 S HA 0.993 5.459 4.470 -0.008 0.000 0.287 928 S C -1.016 173.680 174.600 0.159 0.000 1.101 928 S CA -0.629 57.470 58.200 -0.169 0.000 0.950 928 S CB 2.264 65.472 63.200 0.014 0.000 1.056 928 S HN 1.325 nan 8.310 nan 0.000 0.481 929 F N -2.104 117.891 119.950 0.075 0.000 2.799 929 F HA 0.781 5.304 4.527 -0.007 0.000 0.316 929 F C -2.389 173.650 175.800 0.398 0.000 1.155 929 F CA -1.667 56.583 58.000 0.416 0.000 0.916 929 F CB 0.178 39.486 39.000 0.513 0.000 1.294 929 F HN 0.624 nan 8.300 nan 0.000 0.447 930 W N 2.781 124.507 121.300 0.711 0.000 2.570 930 W HA 0.822 5.477 4.660 -0.008 0.000 0.337 930 W C -0.757 176.186 176.519 0.708 0.000 1.067 930 W CA -0.890 56.830 57.345 0.624 0.000 1.229 930 W CB 1.812 31.576 29.460 0.506 0.000 1.355 930 W HN 0.726 nan 8.180 nan 0.000 0.555 931 I N 1.859 122.809 120.570 0.633 0.000 2.913 931 I HA 0.509 4.675 4.170 -0.008 0.000 0.302 931 I C -1.190 174.806 176.117 -0.202 0.000 1.246 931 I CA -1.379 60.083 61.300 0.269 0.000 1.010 931 I CB 2.046 40.175 38.000 0.214 0.000 1.259 931 I HN 0.465 nan 8.210 nan 0.000 0.434 932 R N 7.288 127.551 120.500 -0.395 0.000 2.468 932 R HA 0.586 4.921 4.340 -0.008 0.000 0.302 932 R C -1.858 174.384 176.300 -0.098 0.000 1.041 932 R CA -0.453 55.368 56.100 -0.465 0.000 0.899 932 R CB 1.049 30.657 30.300 -1.153 0.000 1.167 932 R HN 0.556 nan 8.270 nan 0.000 0.483 933 I N 6.811 127.406 120.570 0.043 0.000 2.321 933 I HA 0.364 4.529 4.170 -0.008 0.000 0.291 933 I C -1.767 174.408 176.117 0.097 0.000 0.998 933 I CA -2.346 59.037 61.300 0.138 0.000 1.227 933 I CB 1.529 39.723 38.000 0.323 0.000 1.368 933 I HN 0.407 nan 8.210 nan 0.000 0.466 934 P HA 0.010 nan 4.420 nan 0.000 0.269 934 P C -0.687 176.567 177.300 -0.077 0.000 1.215 934 P CA -0.436 62.571 63.100 -0.154 0.000 0.780 934 P CB 0.907 32.284 31.700 -0.538 0.000 0.898 935 K N 2.349 122.630 120.400 -0.199 0.000 2.355 935 K HA 0.029 4.344 4.320 -0.008 0.000 0.270 935 K C 0.080 176.330 176.600 -0.585 0.000 1.003 935 K CA -0.342 55.640 56.287 -0.510 0.000 0.957 935 K CB -0.029 31.899 32.500 -0.954 0.000 0.939 935 K HN 0.374 nan 8.250 nan 0.000 0.482 936 Y N 1.118 121.127 120.300 -0.484 0.000 2.550 936 Y HA 0.129 4.675 4.550 -0.008 0.000 0.343 936 Y C -0.046 175.599 175.900 -0.424 0.000 1.245 936 Y CA -0.674 57.020 58.100 -0.676 0.000 1.462 936 Y CB 0.199 37.833 38.460 -1.377 0.000 1.340 936 Y HN 0.197 nan 8.280 nan 0.000 0.604 937 K N 2.727 123.076 120.400 -0.085 0.000 2.234 937 K HA 0.099 4.414 4.320 -0.008 0.000 0.282 937 K C 0.368 176.997 176.600 0.048 0.000 1.039 937 K CA -0.328 55.929 56.287 -0.051 0.000 0.928 937 K CB 0.915 33.406 32.500 -0.015 0.000 1.039 937 K HN 0.766 nan 8.250 nan 0.000 0.470 938 N N 2.048 120.796 118.700 0.080 0.000 2.094 938 N HA -0.200 4.535 4.740 -0.008 0.000 0.191 938 N C 0.694 176.269 175.510 0.107 0.000 1.023 938 N CA 1.586 54.728 53.050 0.153 0.000 0.857 938 N CB -0.048 38.593 38.487 0.257 0.000 1.013 938 N HN 0.621 nan 8.380 nan 0.000 0.426 939 D N -1.463 118.985 120.400 0.080 0.000 2.319 939 D HA 0.110 4.746 4.640 -0.008 0.000 0.230 939 D C 0.873 177.200 176.300 0.046 0.000 1.094 939 D CA 0.085 54.123 54.000 0.064 0.000 0.856 939 D CB -0.507 40.326 40.800 0.054 0.000 0.915 939 D HN 0.188 nan 8.370 nan 0.000 0.517 940 G N -0.070 108.754 108.800 0.040 0.000 4.379 940 G HA2 0.132 4.088 3.960 -0.008 0.000 0.290 940 G HA3 0.132 4.088 3.960 -0.008 0.000 0.290 940 G C 0.681 175.609 174.900 0.047 0.000 1.065 940 G CA -0.359 44.766 45.100 0.042 0.000 0.833 940 G HN 0.179 nan 8.290 nan 0.000 0.512 941 I N 0.073 120.645 120.570 0.004 0.000 2.315 941 I HA -0.081 4.085 4.170 -0.008 0.000 0.248 941 I C 2.433 178.540 176.117 -0.017 0.000 1.117 941 I CA 1.393 62.660 61.300 -0.055 0.000 1.404 941 I CB 0.214 38.124 38.000 -0.149 0.000 1.071 941 I HN 0.086 nan 8.210 nan 0.000 0.419 942 Q N 0.559 120.354 119.800 -0.009 0.000 2.030 942 Q HA -0.193 4.143 4.340 -0.008 0.000 0.204 942 Q C 2.078 178.083 176.000 0.009 0.000 0.986 942 Q CA 1.679 57.461 55.803 -0.036 0.000 0.843 942 Q CB -0.791 27.939 28.738 -0.014 0.000 0.904 942 Q HN 0.568 nan 8.270 nan 0.000 0.420 943 N N -0.080 118.653 118.700 0.054 0.000 2.244 943 N HA -0.149 4.587 4.740 -0.008 0.000 0.183 943 N C 1.682 177.263 175.510 0.118 0.000 1.016 943 N CA 0.736 53.840 53.050 0.091 0.000 0.866 943 N CB -0.333 38.198 38.487 0.073 0.000 0.980 943 N HN 0.333 nan 8.380 nan 0.000 0.430 944 Y N 2.342 122.634 120.300 -0.013 0.000 2.145 944 Y HA -0.133 4.412 4.550 -0.008 0.000 0.286 944 Y C 2.225 178.099 175.900 -0.044 0.000 1.145 944 Y CA 1.573 59.671 58.100 -0.003 0.000 1.148 944 Y CB -0.278 38.184 38.460 0.004 0.000 0.981 944 Y HN 0.054 nan 8.280 nan 0.000 0.507 945 I N -2.422 118.150 120.570 0.003 0.000 2.928 945 I HA -0.026 4.140 4.170 -0.008 0.000 0.266 945 I C 2.008 178.039 176.117 -0.143 0.000 1.234 945 I CA 1.595 62.786 61.300 -0.182 0.000 1.483 945 I CB -0.531 37.292 38.000 -0.295 0.000 1.097 945 I HN 0.171 nan 8.210 nan 0.000 0.455 946 H N 1.378 120.354 119.070 -0.156 0.000 2.418 946 H HA 0.260 4.812 4.556 -0.007 0.000 0.300 946 H C 0.359 175.631 175.328 -0.092 0.000 1.041 946 H CA 0.375 56.351 56.048 -0.120 0.000 1.364 946 H CB 0.337 30.049 29.762 -0.084 0.000 1.439 946 H HN 0.204 nan 8.280 nan 0.000 0.540 947 N N 2.322 120.972 118.700 -0.082 0.000 2.415 947 N HA 0.016 4.751 4.740 -0.008 0.000 0.246 947 N C -0.675 174.809 175.510 -0.043 0.000 1.078 947 N CA -0.014 52.985 53.050 -0.086 0.000 0.942 947 N CB 0.933 39.438 38.487 0.029 0.000 1.140 947 N HN 0.553 nan 8.380 nan 0.000 0.501 948 E N 2.798 122.926 120.200 -0.121 0.000 2.289 948 E HA 0.142 4.488 4.350 -0.008 0.000 0.278 948 E C -1.112 175.484 176.600 -0.006 0.000 1.032 948 E CA -0.581 55.739 56.400 -0.134 0.000 0.854 948 E CB 0.456 30.044 29.700 -0.188 0.000 1.046 948 E HN 0.497 nan 8.360 nan 0.000 0.409 949 Y N 0.432 120.680 120.300 -0.087 0.000 2.442 949 Y HA 0.432 4.978 4.550 -0.007 0.000 0.344 949 Y C -0.493 175.387 175.900 -0.034 0.000 0.976 949 Y CA -1.234 56.832 58.100 -0.057 0.000 1.040 949 Y CB 1.040 39.473 38.460 -0.045 0.000 1.228 949 Y HN 0.172 nan 8.280 nan 0.000 0.451 950 T N 4.526 119.119 114.554 0.065 0.000 2.918 950 T HA 0.266 4.611 4.350 -0.008 0.000 0.302 950 T C 1.211 175.968 174.700 0.095 0.000 1.045 950 T CA 0.191 62.298 62.100 0.012 0.000 1.114 950 T CB 0.628 69.488 68.868 -0.012 0.000 0.965 950 T HN 0.835 nan 8.240 nan 0.000 0.540 951 I N -1.052 119.550 120.570 0.054 0.000 4.338 951 I HA 0.505 4.671 4.170 -0.008 0.000 0.315 951 I C -0.117 176.007 176.117 0.012 0.000 1.262 951 I CA 0.014 61.377 61.300 0.105 0.000 1.298 951 I CB 0.597 38.681 38.000 0.139 0.000 1.257 951 I HN 0.341 nan 8.210 nan 0.000 0.444 952 I N 2.417 122.948 120.570 -0.066 0.000 2.512 952 I HA 0.356 4.522 4.170 -0.008 0.000 0.287 952 I C -1.294 174.696 176.117 -0.213 0.000 1.069 952 I CA -0.313 60.833 61.300 -0.257 0.000 1.056 952 I CB 1.944 39.752 38.000 -0.320 0.000 1.229 952 I HN 0.190 nan 8.210 nan 0.000 0.429 953 N N 5.443 123.949 118.700 -0.323 0.000 2.296 953 N HA 0.493 5.229 4.740 -0.008 0.000 0.294 953 N C -1.743 173.444 175.510 -0.539 0.000 1.033 953 N CA -0.350 52.486 53.050 -0.358 0.000 0.839 953 N CB 2.543 40.892 38.487 -0.229 0.000 1.395 953 N HN 0.647 nan 8.380 nan 0.000 0.479 954 C N 6.875 125.700 119.300 -0.792 0.000 2.654 954 C HA 0.569 5.024 4.460 -0.008 0.000 0.315 954 C C -1.190 173.408 174.990 -0.653 0.000 1.054 954 C CA -0.500 57.988 59.018 -0.884 0.000 1.419 954 C CB -0.693 26.014 27.740 -1.722 0.000 1.889 954 C HN 0.639 nan 8.230 nan 0.000 0.447 955 M N 4.206 123.580 119.600 -0.377 0.000 2.530 955 M HA 0.565 5.040 4.480 -0.008 0.000 0.307 955 M C -0.883 175.312 176.300 -0.176 0.000 1.161 955 M CA -0.349 54.795 55.300 -0.260 0.000 0.903 955 M CB 2.223 34.701 32.600 -0.204 0.000 1.711 955 M HN 0.672 nan 8.290 nan 0.000 0.451 956 K N 2.087 122.403 120.400 -0.139 0.000 2.588 956 K HA 0.354 4.669 4.320 -0.008 0.000 0.250 956 K C -0.669 175.883 176.600 -0.079 0.000 0.972 956 K CA -0.236 55.994 56.287 -0.095 0.000 0.821 956 K CB 0.947 33.399 32.500 -0.081 0.000 1.249 956 K HN 0.738 nan 8.250 nan 0.000 0.442 957 N N 3.861 122.523 118.700 -0.064 0.000 2.735 957 N HA -0.214 4.522 4.740 -0.008 0.000 0.248 957 N C -0.987 174.488 175.510 -0.058 0.000 1.083 957 N CA 1.258 54.276 53.050 -0.053 0.000 0.703 957 N CB -1.175 37.285 38.487 -0.045 0.000 1.005 957 N HN 0.972 nan 8.380 nan 0.000 0.550 958 N N -2.102 116.556 118.700 -0.069 0.000 2.741 958 N HA -0.195 4.540 4.740 -0.008 0.000 0.250 958 N C -0.484 174.981 175.510 -0.075 0.000 1.115 958 N CA 1.509 54.517 53.050 -0.071 0.000 0.724 958 N CB -1.034 37.420 38.487 -0.055 0.000 1.090 958 N HN 0.589 nan 8.380 nan 0.000 0.558 959 S N -1.400 114.249 115.700 -0.085 0.000 2.570 959 S HA 0.866 5.331 4.470 -0.008 0.000 0.286 959 S C 0.291 174.822 174.600 -0.116 0.000 1.099 959 S CA 0.442 58.592 58.200 -0.083 0.000 0.913 959 S CB 2.274 65.434 63.200 -0.066 0.000 1.085 959 S HN 0.798 nan 8.310 nan 0.000 0.480 960 G N 2.242 110.980 108.800 -0.103 0.000 2.332 960 G HA2 0.201 4.157 3.960 -0.008 0.000 0.265 960 G HA3 0.201 4.157 3.960 -0.008 0.000 0.265 960 G C -1.751 173.111 174.900 -0.063 0.000 1.329 960 G CA -0.184 44.835 45.100 -0.135 0.000 0.949 960 G HN 0.997 nan 8.290 nan 0.000 0.476 961 W N 0.014 121.208 121.300 -0.178 0.000 2.902 961 W HA 0.892 5.549 4.660 -0.004 0.000 0.346 961 W C -0.774 175.553 176.519 -0.320 0.000 1.139 961 W CA -1.144 55.983 57.345 -0.362 0.000 1.139 961 W CB 1.834 31.055 29.460 -0.397 0.000 1.439 961 W HN 0.884 nan 8.180 nan 0.000 0.558 962 K N 1.185 121.500 120.400 -0.142 0.000 2.562 962 K HA 0.569 4.884 4.320 -0.008 0.000 0.267 962 K C -2.123 174.524 176.600 0.079 0.000 0.938 962 K CA -0.659 55.595 56.287 -0.055 0.000 0.840 962 K CB 2.546 34.962 32.500 -0.140 0.000 1.390 962 K HN 0.642 nan 8.250 nan 0.000 0.428 963 I N 3.144 123.838 120.570 0.207 0.000 2.406 963 I HA 0.304 4.469 4.170 -0.008 0.000 0.290 963 I C -0.391 175.794 176.117 0.114 0.000 0.999 963 I CA -0.509 60.964 61.300 0.288 0.000 1.124 963 I CB 1.969 40.213 38.000 0.406 0.000 1.289 963 I HN 0.753 nan 8.210 nan 0.000 0.441 964 S N 6.454 122.195 115.700 0.068 0.000 2.661 964 S HA 0.812 5.278 4.470 -0.008 0.000 0.285 964 S C -0.843 173.664 174.600 -0.155 0.000 1.138 964 S CA -0.825 57.328 58.200 -0.078 0.000 0.855 964 S CB 2.407 65.543 63.200 -0.106 0.000 1.136 964 S HN 0.442 nan 8.310 nan 0.000 0.484 965 I N 0.486 120.788 120.570 -0.446 0.000 2.686 965 I HA 0.551 4.716 4.170 -0.008 0.000 0.295 965 I C -0.469 175.270 176.117 -0.629 0.000 1.114 965 I CA -0.586 60.407 61.300 -0.512 0.000 1.038 965 I CB 2.463 40.100 38.000 -0.606 0.000 1.238 965 I HN 0.697 nan 8.210 nan 0.000 0.420 966 R N 4.086 124.335 120.500 -0.420 0.000 2.472 966 R HA 0.507 4.842 4.340 -0.008 0.000 0.294 966 R C 0.383 176.409 176.300 -0.457 0.000 1.243 966 R CA 0.394 56.267 56.100 -0.379 0.000 1.023 966 R CB 1.029 31.132 30.300 -0.328 0.000 1.157 966 R HN 0.957 nan 8.270 nan 0.000 0.530 967 G N 3.815 112.255 108.800 -0.601 0.000 2.602 967 G HA2 -0.461 3.495 3.960 -0.008 0.000 0.310 967 G HA3 -0.461 3.495 3.960 -0.008 0.000 0.310 967 G C 0.367 174.832 174.900 -0.725 0.000 1.183 967 G CA 0.549 44.874 45.100 -1.293 0.000 0.979 967 G HN 0.731 nan 8.290 nan 0.000 0.545 968 N N 1.410 119.805 118.700 -0.507 0.000 2.370 968 N HA 0.060 4.796 4.740 -0.008 0.000 0.198 968 N C 0.764 175.766 175.510 -0.846 0.000 1.156 968 N CA 0.757 53.444 53.050 -0.604 0.000 0.839 968 N CB 0.351 38.572 38.487 -0.442 0.000 0.989 968 N HN 0.839 nan 8.380 nan 0.000 0.468 969 R N 0.508 120.723 120.500 -0.474 0.000 2.599 969 R HA 0.506 4.842 4.340 -0.008 0.000 0.295 969 R C -1.338 174.893 176.300 -0.116 0.000 0.963 969 R CA -0.708 55.198 56.100 -0.323 0.000 0.883 969 R CB 1.432 31.521 30.300 -0.350 0.000 1.171 969 R HN 0.158 nan 8.270 nan 0.000 0.450 970 I N 5.498 126.123 120.570 0.091 0.000 2.404 970 I HA 0.411 4.576 4.170 -0.008 0.000 0.293 970 I C -1.262 175.005 176.117 0.251 0.000 0.992 970 I CA -0.879 60.543 61.300 0.204 0.000 1.149 970 I CB 1.196 39.435 38.000 0.399 0.000 1.315 970 I HN 0.619 nan 8.210 nan 0.000 0.446 971 I N 7.664 128.354 120.570 0.200 0.000 2.509 971 I HA 0.315 4.480 4.170 -0.008 0.000 0.293 971 I C -1.060 175.254 176.117 0.329 0.000 1.020 971 I CA -0.397 61.054 61.300 0.251 0.000 1.088 971 I CB 1.662 39.728 38.000 0.111 0.000 1.267 971 I HN 0.591 nan 8.210 nan 0.000 0.430 972 W N 6.392 127.787 121.300 0.158 0.000 2.429 972 W HA 0.568 5.224 4.660 -0.005 0.000 0.314 972 W C -1.485 175.115 176.519 0.135 0.000 1.062 972 W CA -0.409 57.029 57.345 0.154 0.000 1.211 972 W CB 1.883 31.411 29.460 0.114 0.000 1.305 972 W HN 0.413 nan 8.180 nan 0.000 0.476 973 T N 6.957 121.258 114.554 -0.422 0.000 2.861 973 T HA 0.538 4.883 4.350 -0.008 0.000 0.287 973 T C -0.374 174.025 174.700 -0.501 0.000 1.003 973 T CA -0.523 61.368 62.100 -0.348 0.000 0.977 973 T CB 1.793 70.564 68.868 -0.162 0.000 0.996 973 T HN 0.306 nan 8.240 nan 0.000 0.448 974 L N 3.377 124.435 121.223 -0.274 0.000 2.342 974 L HA 0.706 5.041 4.340 -0.008 0.000 0.271 974 L C -0.757 176.072 176.870 -0.068 0.000 1.008 974 L CA -1.034 53.723 54.840 -0.139 0.000 0.818 974 L CB 1.738 43.798 42.059 0.001 0.000 1.296 974 L HN 0.531 nan 8.230 nan 0.000 0.427 975 I N 1.624 122.166 120.570 -0.047 0.000 2.529 975 I HA 0.179 4.344 4.170 -0.008 0.000 0.284 975 I C -0.958 175.142 176.117 -0.029 0.000 1.088 975 I CA -0.772 60.502 61.300 -0.043 0.000 1.062 975 I CB 1.914 39.874 38.000 -0.066 0.000 1.218 975 I HN 0.588 nan 8.210 nan 0.000 0.442 976 D N 5.926 126.316 120.400 -0.016 0.000 2.398 976 D HA 0.125 4.761 4.640 -0.008 0.000 0.247 976 D C 1.449 177.736 176.300 -0.022 0.000 1.227 976 D CA -0.570 53.422 54.000 -0.013 0.000 0.980 976 D CB 0.860 41.661 40.800 0.001 0.000 1.106 976 D HN 0.618 nan 8.370 nan 0.000 0.493 977 I N -2.902 117.655 120.570 -0.021 0.000 2.623 977 I HA -0.232 3.933 4.170 -0.008 0.000 0.261 977 I C 0.683 176.788 176.117 -0.020 0.000 1.204 977 I CA 1.087 62.373 61.300 -0.024 0.000 1.444 977 I CB -0.568 37.420 38.000 -0.020 0.000 1.094 977 I HN 0.158 nan 8.210 nan 0.000 0.451 978 N N 1.234 119.925 118.700 -0.015 0.000 2.392 978 N HA 0.111 4.847 4.740 -0.008 0.000 0.177 978 N C 1.585 177.085 175.510 -0.016 0.000 1.066 978 N CA 1.182 54.225 53.050 -0.013 0.000 0.895 978 N CB 0.954 39.438 38.487 -0.006 0.000 0.988 978 N HN 0.647 nan 8.380 nan 0.000 0.457 979 G N 1.142 109.930 108.800 -0.020 0.000 2.184 979 G HA2 -0.249 3.706 3.960 -0.008 0.000 0.206 979 G HA3 -0.249 3.706 3.960 -0.008 0.000 0.206 979 G C 0.112 175.000 174.900 -0.021 0.000 0.995 979 G CA -0.206 44.880 45.100 -0.024 0.000 0.651 979 G HN 0.339 nan 8.290 nan 0.000 0.511 980 K N 1.397 121.789 120.400 -0.013 0.000 2.448 980 K HA 0.470 4.785 4.320 -0.008 0.000 0.278 980 K C -0.250 176.344 176.600 -0.011 0.000 1.009 980 K CA 0.765 57.047 56.287 -0.008 0.000 0.995 980 K CB 0.244 32.745 32.500 0.000 0.000 0.917 980 K HN 0.114 nan 8.250 nan 0.000 0.481 981 T N 4.323 118.871 114.554 -0.010 0.000 2.887 981 T HA 0.454 4.799 4.350 -0.008 0.000 0.288 981 T C -1.106 173.595 174.700 0.001 0.000 1.021 981 T CA -0.980 61.111 62.100 -0.014 0.000 1.000 981 T CB 1.408 70.261 68.868 -0.025 0.000 1.034 981 T HN 0.383 nan 8.240 nan 0.000 0.467 982 K N 1.420 121.823 120.400 0.004 0.000 2.498 982 K HA 0.743 5.058 4.320 -0.008 0.000 0.254 982 K C -1.117 175.506 176.600 0.038 0.000 0.933 982 K CA -0.718 55.587 56.287 0.030 0.000 0.806 982 K CB 2.533 35.060 32.500 0.045 0.000 1.301 982 K HN 0.602 nan 8.250 nan 0.000 0.432 983 S N 0.196 115.942 115.700 0.077 0.000 2.595 983 S HA 0.642 5.108 4.470 -0.008 0.000 0.281 983 S C -1.467 173.238 174.600 0.175 0.000 1.117 983 S CA -0.764 57.511 58.200 0.125 0.000 0.873 983 S CB 2.556 65.830 63.200 0.124 0.000 1.108 983 S HN 0.325 nan 8.310 nan 0.000 0.477 984 V N 3.609 123.666 119.914 0.238 0.000 2.808 984 V HA 0.873 4.988 4.120 -0.008 0.000 0.308 984 V C -1.976 174.251 176.094 0.221 0.000 1.099 984 V CA -0.732 61.647 62.300 0.131 0.000 0.920 984 V CB 1.366 33.246 31.823 0.095 0.000 1.014 984 V HN 0.853 nan 8.190 nan 0.000 0.425 985 F N 4.852 124.853 119.950 0.085 0.000 2.650 985 F HA 0.877 5.401 4.527 -0.006 0.000 0.320 985 F C -1.758 174.115 175.800 0.121 0.000 1.091 985 F CA -1.601 56.456 58.000 0.095 0.000 0.962 985 F CB 1.765 40.783 39.000 0.030 0.000 1.363 985 F HN 0.497 nan 8.300 nan 0.000 0.482 986 F N 1.647 121.736 119.950 0.232 0.000 2.536 986 F HA 0.536 5.060 4.527 -0.006 0.000 0.322 986 F C -1.133 174.747 175.800 0.134 0.000 1.144 986 F CA -0.704 57.342 58.000 0.077 0.000 0.924 986 F CB 1.599 40.585 39.000 -0.023 0.000 1.181 986 F HN 0.788 nan 8.300 nan 0.000 0.438 987 E N 6.333 126.195 120.200 -0.564 0.000 2.176 987 E HA 0.343 4.689 4.350 -0.008 0.000 0.267 987 E C -1.683 174.383 176.600 -0.890 0.000 0.893 987 E CA -0.840 55.178 56.400 -0.636 0.000 0.761 987 E CB 1.247 30.799 29.700 -0.246 0.000 1.133 987 E HN 0.600 nan 8.360 nan 0.000 0.409 988 Y N 1.798 121.683 120.300 -0.692 0.000 2.387 988 Y HA 0.435 4.980 4.550 -0.008 0.000 0.330 988 Y C -0.061 175.787 175.900 -0.087 0.000 1.133 988 Y CA -1.484 56.349 58.100 -0.444 0.000 1.152 988 Y CB 0.383 38.629 38.460 -0.356 0.000 1.215 988 Y HN 0.396 nan 8.280 nan 0.000 0.466 989 N N 2.474 121.290 118.700 0.193 0.000 2.483 989 N HA 0.138 4.873 4.740 -0.008 0.000 0.264 989 N C 0.166 175.859 175.510 0.304 0.000 1.197 989 N CA -0.053 53.110 53.050 0.189 0.000 0.927 989 N CB 0.334 38.926 38.487 0.176 0.000 1.065 989 N HN 0.815 nan 8.380 nan 0.000 0.461 990 I N -0.048 120.665 120.570 0.238 0.000 3.816 990 I HA 0.370 4.535 4.170 -0.008 0.000 0.334 990 I C 0.261 176.509 176.117 0.220 0.000 1.551 990 I CA -0.326 61.159 61.300 0.308 0.000 1.153 990 I CB 0.270 38.431 38.000 0.268 0.000 1.197 990 I HN 0.403 nan 8.210 nan 0.000 0.439 991 R N 0.816 121.430 120.500 0.191 0.000 2.565 991 R HA 0.292 4.627 4.340 -0.008 0.000 0.347 991 R C -0.279 176.126 176.300 0.175 0.000 1.010 991 R CA -0.279 55.909 56.100 0.147 0.000 1.126 991 R CB 0.670 31.026 30.300 0.093 0.000 1.331 991 R HN 0.357 nan 8.270 nan 0.000 0.552 992 E N 1.266 121.600 120.200 0.223 0.000 2.354 992 E HA -0.002 4.343 4.350 -0.008 0.000 0.269 992 E C 0.089 176.838 176.600 0.248 0.000 1.036 992 E CA -0.025 56.502 56.400 0.212 0.000 0.876 992 E CB 1.074 30.904 29.700 0.217 0.000 1.009 992 E HN 0.012 nan 8.360 nan 0.000 0.416 993 D N 0.987 121.510 120.400 0.205 0.000 2.123 993 D HA -0.091 4.545 4.640 -0.008 0.000 0.196 993 D C 0.449 176.904 176.300 0.258 0.000 0.992 993 D CA 1.337 55.469 54.000 0.220 0.000 0.833 993 D CB 0.331 41.233 40.800 0.169 0.000 0.954 993 D HN 0.281 nan 8.370 nan 0.000 0.455 994 I N 0.282 120.986 120.570 0.224 0.000 2.500 994 I HA 0.108 4.274 4.170 -0.008 0.000 0.286 994 I C -0.224 175.991 176.117 0.163 0.000 1.063 994 I CA -0.529 60.889 61.300 0.196 0.000 1.062 994 I CB 1.645 39.779 38.000 0.222 0.000 1.223 994 I HN -0.259 nan 8.210 nan 0.000 0.435 995 S N 4.535 120.342 115.700 0.178 0.000 2.554 995 S HA 0.327 4.793 4.470 -0.008 0.000 0.278 995 S C 0.909 175.480 174.600 -0.047 0.000 1.242 995 S CA -0.280 58.004 58.200 0.139 0.000 1.051 995 S CB 1.110 64.475 63.200 0.275 0.000 0.986 995 S HN 0.597 nan 8.310 nan 0.000 0.502 996 E N 2.588 122.650 120.200 -0.231 0.000 2.478 996 E HA 0.011 4.357 4.350 -0.008 0.000 0.194 996 E C 0.046 176.260 176.600 -0.642 0.000 1.045 996 E CA 0.564 56.651 56.400 -0.522 0.000 0.868 996 E CB 0.204 29.462 29.700 -0.738 0.000 0.885 996 E HN 0.843 nan 8.360 nan 0.000 0.505 997 Y N -0.365 119.897 120.300 -0.063 0.000 2.638 997 Y HA 0.234 4.779 4.550 -0.008 0.000 0.275 997 Y C 0.997 176.860 175.900 -0.062 0.000 1.122 997 Y CA -0.578 57.420 58.100 -0.170 0.000 1.266 997 Y CB 0.634 38.699 38.460 -0.659 0.000 1.317 997 Y HN -0.157 nan 8.280 nan 0.000 0.501 998 I N 2.908 123.554 120.570 0.128 0.000 2.752 998 I HA -0.184 3.981 4.170 -0.008 0.000 0.286 998 I C 0.929 177.289 176.117 0.404 0.000 1.180 998 I CA 0.991 62.456 61.300 0.274 0.000 1.404 998 I CB -0.190 38.075 38.000 0.442 0.000 1.389 998 I HN 0.531 nan 8.210 nan 0.000 0.549 999 N N 4.127 123.001 118.700 0.291 0.000 2.753 999 N HA -0.208 4.528 4.740 -0.008 0.000 0.251 999 N C -0.280 175.400 175.510 0.283 0.000 1.097 999 N CA 0.580 53.737 53.050 0.180 0.000 0.786 999 N CB -0.152 38.368 38.487 0.054 0.000 1.137 999 N HN 0.609 nan 8.380 nan 0.000 0.566 1000 R N -0.435 120.284 120.500 0.364 0.000 2.637 1000 R HA 0.272 4.607 4.340 -0.008 0.000 0.291 1000 R C -0.862 175.699 176.300 0.436 0.000 0.963 1000 R CA -0.613 55.740 56.100 0.423 0.000 0.901 1000 R CB 0.712 31.234 30.300 0.370 0.000 1.160 1000 R HN 0.091 nan 8.270 nan 0.000 0.457 1001 W N 3.694 125.268 121.300 0.458 0.000 2.322 1001 W HA 0.106 4.761 4.660 -0.008 0.000 0.328 1001 W C 0.002 176.965 176.519 0.740 0.000 1.395 1001 W CA 0.336 57.978 57.345 0.496 0.000 1.267 1001 W CB 0.222 29.943 29.460 0.435 0.000 1.259 1001 W HN 0.435 nan 8.180 nan 0.000 0.560 1002 F N 2.561 123.005 119.950 0.824 0.000 2.626 1002 F HA 0.614 5.135 4.527 -0.009 0.000 0.311 1002 F C -1.626 174.325 175.800 0.252 0.000 1.088 1002 F CA -2.550 55.776 58.000 0.543 0.000 0.949 1002 F CB 0.762 40.018 39.000 0.427 0.000 1.322 1002 F HN 0.104 nan 8.300 nan 0.000 0.461 1003 F N 3.170 122.983 119.950 -0.228 0.000 2.405 1003 F HA 0.711 5.231 4.527 -0.010 0.000 0.355 1003 F C -0.999 174.522 175.800 -0.465 0.000 1.121 1003 F CA -1.298 56.194 58.000 -0.847 0.000 1.112 1003 F CB 1.121 39.376 39.000 -1.240 0.000 1.126 1003 F HN 0.421 nan 8.300 nan 0.000 0.481 1004 V N 4.767 124.057 119.914 -1.039 0.000 2.581 1004 V HA 0.642 4.757 4.120 -0.008 0.000 0.303 1004 V C -0.495 174.753 176.094 -1.410 0.000 1.041 1004 V CA -0.540 61.116 62.300 -1.073 0.000 0.907 1004 V CB 2.084 33.244 31.823 -1.104 0.000 0.994 1004 V HN 0.834 nan 8.190 nan 0.000 0.442 1005 T N 5.128 119.097 114.554 -0.975 0.000 3.237 1005 T HA 0.584 4.929 4.350 -0.008 0.000 0.319 1005 T C -0.778 173.597 174.700 -0.542 0.000 1.037 1005 T CA -0.196 61.417 62.100 -0.812 0.000 1.048 1005 T CB 1.045 69.415 68.868 -0.830 0.000 1.081 1005 T HN 0.376 nan 8.240 nan 0.000 0.455 1006 I N 3.417 123.631 120.570 -0.592 0.000 2.406 1006 I HA 0.553 4.718 4.170 -0.008 0.000 0.290 1006 I C 0.521 176.214 176.117 -0.707 0.000 0.999 1006 I CA -0.654 60.241 61.300 -0.676 0.000 1.124 1006 I CB 2.021 39.370 38.000 -1.086 0.000 1.289 1006 I HN 0.689 nan 8.210 nan 0.000 0.441 1007 T N 2.168 116.406 114.554 -0.527 0.000 2.908 1007 T HA 0.566 4.911 4.350 -0.008 0.000 0.290 1007 T C -0.663 173.777 174.700 -0.433 0.000 1.034 1007 T CA -0.933 60.881 62.100 -0.477 0.000 1.010 1007 T CB 1.832 70.517 68.868 -0.305 0.000 1.068 1007 T HN 0.486 nan 8.240 nan 0.000 0.481 1008 N N 2.285 120.730 118.700 -0.426 0.000 2.310 1008 N HA 0.451 5.187 4.740 -0.008 0.000 0.292 1008 N C -1.245 174.162 175.510 -0.171 0.000 1.049 1008 N CA -0.652 52.237 53.050 -0.268 0.000 0.849 1008 N CB 2.593 40.899 38.487 -0.302 0.000 1.532 1008 N HN 0.914 nan 8.380 nan 0.000 0.479 1009 N N -0.388 118.241 118.700 -0.118 0.000 3.229 1009 N HA 0.280 5.015 4.740 -0.008 0.000 0.315 1009 N C 0.767 176.215 175.510 -0.103 0.000 1.520 1009 N CA -0.694 52.269 53.050 -0.146 0.000 0.769 1009 N CB 0.064 38.518 38.487 -0.055 0.000 1.766 1009 N HN 0.170 nan 8.380 nan 0.000 0.618 1010 L N -2.184 119.012 121.223 -0.044 0.000 2.265 1010 L HA 0.187 4.523 4.340 -0.008 0.000 0.215 1010 L C 0.878 177.787 176.870 0.064 0.000 1.117 1010 L CA 1.408 56.292 54.840 0.074 0.000 0.782 1010 L CB -1.490 40.744 42.059 0.291 0.000 0.914 1010 L HN 0.509 nan 8.230 nan 0.000 0.441 1011 N N -0.675 118.053 118.700 0.046 0.000 2.545 1011 N HA 0.102 4.838 4.740 -0.008 0.000 0.190 1011 N C 0.144 175.662 175.510 0.014 0.000 1.043 1011 N CA 0.337 53.406 53.050 0.033 0.000 0.879 1011 N CB 0.200 38.706 38.487 0.032 0.000 1.210 1011 N HN 0.464 nan 8.380 nan 0.000 0.437 1012 N N 0.060 118.758 118.700 -0.003 0.000 2.380 1012 N HA 0.545 5.280 4.740 -0.008 0.000 0.290 1012 N C -1.288 174.203 175.510 -0.031 0.000 1.236 1012 N CA -0.449 52.591 53.050 -0.018 0.000 0.780 1012 N CB 2.631 41.096 38.487 -0.037 0.000 1.438 1012 N HN -0.052 nan 8.380 nan 0.000 0.491 1013 A N 1.016 123.819 122.820 -0.028 0.000 2.319 1013 A HA 0.577 4.893 4.320 -0.008 0.000 0.310 1013 A C -0.626 176.894 177.584 -0.105 0.000 1.152 1013 A CA -0.618 51.394 52.037 -0.042 0.000 0.783 1013 A CB 0.798 19.861 19.000 0.105 0.000 1.184 1013 A HN 0.551 nan 8.150 nan 0.000 0.474 1014 K N 1.940 122.235 120.400 -0.175 0.000 2.318 1014 K HA 0.711 5.027 4.320 -0.008 0.000 0.249 1014 K C -1.342 175.107 176.600 -0.250 0.000 0.942 1014 K CA -0.444 55.713 56.287 -0.216 0.000 0.808 1014 K CB 2.615 34.999 32.500 -0.193 0.000 1.189 1014 K HN 0.628 nan 8.250 nan 0.000 0.428 1015 I N 2.852 123.236 120.570 -0.309 0.000 2.406 1015 I HA 0.310 4.475 4.170 -0.008 0.000 0.290 1015 I C -1.172 174.709 176.117 -0.393 0.000 0.999 1015 I CA -0.911 60.219 61.300 -0.282 0.000 1.124 1015 I CB 0.909 38.786 38.000 -0.205 0.000 1.289 1015 I HN 0.452 nan 8.210 nan 0.000 0.441 1016 Y N 6.172 126.206 120.300 -0.443 0.000 2.409 1016 Y HA 0.541 5.087 4.550 -0.007 0.000 0.339 1016 Y C -0.053 175.502 175.900 -0.575 0.000 1.033 1016 Y CA -0.934 56.892 58.100 -0.456 0.000 1.094 1016 Y CB 1.662 39.871 38.460 -0.419 0.000 1.210 1016 Y HN 0.229 nan 8.280 nan 0.000 0.456 1017 I N 3.577 123.877 120.570 -0.450 0.000 2.418 1017 I HA 0.196 4.362 4.170 -0.008 0.000 0.287 1017 I C -0.260 175.612 176.117 -0.408 0.000 1.008 1017 I CA -0.981 59.990 61.300 -0.548 0.000 1.104 1017 I CB 1.336 38.751 38.000 -0.975 0.000 1.264 1017 I HN 0.727 nan 8.210 nan 0.000 0.438 1018 N N 5.089 123.543 118.700 -0.410 0.000 2.721 1018 N HA -0.215 4.520 4.740 -0.008 0.000 0.249 1018 N C 1.136 176.098 175.510 -0.912 0.000 1.072 1018 N CA 1.371 53.932 53.050 -0.815 0.000 0.710 1018 N CB -0.970 37.174 38.487 -0.570 0.000 0.993 1018 N HN 1.138 nan 8.380 nan 0.000 0.547 1019 G N -1.229 107.319 108.800 -0.421 0.000 2.199 1019 G HA2 -0.371 3.584 3.960 -0.008 0.000 0.254 1019 G HA3 -0.371 3.584 3.960 -0.008 0.000 0.254 1019 G C 0.022 174.891 174.900 -0.051 0.000 0.982 1019 G CA 0.780 45.769 45.100 -0.185 0.000 0.632 1019 G HN 0.711 nan 8.290 nan 0.000 0.529 1020 K N 0.504 120.830 120.400 -0.122 0.000 2.185 1020 K HA 0.669 4.985 4.320 -0.008 0.000 0.269 1020 K C 0.255 176.734 176.600 -0.202 0.000 0.987 1020 K CA -1.112 55.115 56.287 -0.100 0.000 0.865 1020 K CB 0.964 33.387 32.500 -0.129 0.000 1.090 1020 K HN 0.196 nan 8.250 nan 0.000 0.450 1021 L N 4.241 125.279 121.223 -0.310 0.000 2.462 1021 L HA 0.057 4.393 4.340 -0.008 0.000 0.272 1021 L C 0.421 177.036 176.870 -0.425 0.000 1.166 1021 L CA 1.014 55.443 54.840 -0.685 0.000 0.880 1021 L CB 0.581 42.249 42.059 -0.652 0.000 1.142 1021 L HN 0.838 nan 8.230 nan 0.000 0.473 1022 E N 2.082 122.019 120.200 -0.439 0.000 2.367 1022 E HA 0.254 4.600 4.350 -0.008 0.000 0.204 1022 E C -0.243 176.229 176.600 -0.213 0.000 0.840 1022 E CA 0.299 56.545 56.400 -0.258 0.000 1.051 1022 E CB 0.589 30.134 29.700 -0.258 0.000 1.051 1022 E HN 0.677 nan 8.360 nan 0.000 0.509 1023 S N 0.720 116.250 115.700 -0.284 0.000 2.579 1023 S HA 0.495 4.961 4.470 -0.008 0.000 0.272 1023 S C -0.872 173.569 174.600 -0.265 0.000 1.141 1023 S CA -0.940 57.103 58.200 -0.261 0.000 0.843 1023 S CB 2.466 65.502 63.200 -0.272 0.000 1.122 1023 S HN 0.097 nan 8.310 nan 0.000 0.468 1024 N N 0.615 119.184 118.700 -0.217 0.000 2.371 1024 N HA 0.431 5.167 4.740 -0.008 0.000 0.280 1024 N C -2.023 173.415 175.510 -0.120 0.000 1.084 1024 N CA -0.197 52.753 53.050 -0.167 0.000 0.892 1024 N CB 2.268 40.659 38.487 -0.160 0.000 1.653 1024 N HN 0.566 nan 8.380 nan 0.000 0.480 1025 T N 1.348 115.859 114.554 -0.073 0.000 2.886 1025 T HA 0.188 4.534 4.350 -0.008 0.000 0.292 1025 T C -1.021 173.672 174.700 -0.012 0.000 1.012 1025 T CA -0.625 61.455 62.100 -0.033 0.000 0.982 1025 T CB 1.497 70.369 68.868 0.006 0.000 1.018 1025 T HN 0.411 nan 8.240 nan 0.000 0.451 1026 D N 3.094 123.490 120.400 -0.007 0.000 2.343 1026 D HA 0.130 4.766 4.640 -0.008 0.000 0.255 1026 D C 0.489 176.801 176.300 0.019 0.000 1.187 1026 D CA -0.273 53.728 54.000 0.002 0.000 0.875 1026 D CB 0.598 41.398 40.800 0.000 0.000 1.136 1026 D HN 0.658 nan 8.370 nan 0.000 0.469 1027 I N 0.913 121.499 120.570 0.027 0.000 3.424 1027 I HA 0.202 4.368 4.170 -0.008 0.000 0.339 1027 I C 1.096 177.236 176.117 0.040 0.000 1.549 1027 I CA -0.819 60.505 61.300 0.040 0.000 1.049 1027 I CB 0.523 38.558 38.000 0.059 0.000 1.439 1027 I HN 0.051 nan 8.210 nan 0.000 0.500 1028 K N 1.111 121.531 120.400 0.033 0.000 2.057 1028 K HA -0.085 4.231 4.320 -0.008 0.000 0.206 1028 K C 0.888 177.510 176.600 0.037 0.000 1.050 1028 K CA 1.567 57.876 56.287 0.038 0.000 0.935 1028 K CB -0.030 32.489 32.500 0.031 0.000 0.715 1028 K HN 0.443 nan 8.250 nan 0.000 0.439 1029 D N 0.795 121.213 120.400 0.030 0.000 2.310 1029 D HA -0.073 4.562 4.640 -0.008 0.000 0.212 1029 D C 0.706 177.023 176.300 0.029 0.000 0.965 1029 D CA 0.622 54.638 54.000 0.027 0.000 0.879 1029 D CB 0.019 40.831 40.800 0.021 0.000 0.921 1029 D HN 0.053 nan 8.370 nan 0.000 0.510 1030 I N 2.369 122.960 120.570 0.035 0.000 2.618 1030 I HA -0.026 4.139 4.170 -0.008 0.000 0.284 1030 I C 1.329 177.469 176.117 0.038 0.000 1.146 1030 I CA 0.127 61.448 61.300 0.036 0.000 1.425 1030 I CB 0.459 38.487 38.000 0.047 0.000 1.383 1030 I HN -0.177 nan 8.210 nan 0.000 0.562 1031 R N 4.022 124.540 120.500 0.030 0.000 2.544 1031 R HA 0.260 4.595 4.340 -0.008 0.000 0.205 1031 R C 0.054 176.371 176.300 0.027 0.000 1.324 1031 R CA -0.824 55.295 56.100 0.031 0.000 1.008 1031 R CB -0.188 30.125 30.300 0.022 0.000 2.138 1031 R HN 0.534 nan 8.270 nan 0.000 0.514 1032 E N 1.213 121.424 120.200 0.019 0.000 2.465 1032 E HA 0.072 4.417 4.350 -0.008 0.000 0.260 1032 E C -1.026 175.566 176.600 -0.012 0.000 0.980 1032 E CA 0.083 56.486 56.400 0.005 0.000 0.927 1032 E CB 0.522 30.221 29.700 -0.001 0.000 0.934 1032 E HN 0.079 nan 8.360 nan 0.000 0.459 1033 V N 7.234 127.131 119.914 -0.030 0.000 2.376 1033 V HA 0.240 4.355 4.120 -0.008 0.000 0.287 1033 V C 0.084 176.108 176.094 -0.116 0.000 1.015 1033 V CA -0.644 61.630 62.300 -0.043 0.000 0.834 1033 V CB 1.240 33.070 31.823 0.011 0.000 1.001 1033 V HN 0.641 nan 8.190 nan 0.000 0.428 1034 I N 4.129 124.633 120.570 -0.111 0.000 2.505 1034 I HA 0.236 4.401 4.170 -0.008 0.000 0.287 1034 I C 1.190 177.192 176.117 -0.191 0.000 1.104 1034 I CA 0.345 61.553 61.300 -0.152 0.000 1.387 1034 I CB 1.064 39.003 38.000 -0.102 0.000 1.404 1034 I HN 0.733 nan 8.210 nan 0.000 0.528 1035 A N 4.919 127.517 122.820 -0.369 0.000 2.431 1035 A HA 0.083 4.399 4.320 -0.008 0.000 0.239 1035 A C 1.107 178.660 177.584 -0.052 0.000 1.230 1035 A CA -0.209 51.636 52.037 -0.319 0.000 0.928 1035 A CB -0.309 18.097 19.000 -0.991 0.000 1.006 1035 A HN 0.803 nan 8.150 nan 0.000 0.520 1036 N N 0.214 118.890 118.700 -0.039 0.000 2.327 1036 N HA 0.274 5.010 4.740 -0.008 0.000 0.231 1036 N C 0.703 176.283 175.510 0.116 0.000 1.130 1036 N CA 0.439 53.632 53.050 0.237 0.000 0.845 1036 N CB -0.150 38.505 38.487 0.280 0.000 1.073 1036 N HN 0.175 nan 8.380 nan 0.000 0.496 1037 G N -0.262 108.549 108.800 0.018 0.000 2.588 1037 G HA2 0.109 4.064 3.960 -0.008 0.000 0.278 1037 G HA3 0.109 4.064 3.960 -0.008 0.000 0.278 1037 G C -0.597 174.290 174.900 -0.021 0.000 1.307 1037 G CA -0.657 44.422 45.100 -0.035 0.000 1.016 1037 G HN 0.369 nan 8.290 nan 0.000 0.503 1038 E N -1.226 118.945 120.200 -0.047 0.000 2.373 1038 E HA 0.228 4.574 4.350 -0.008 0.000 0.267 1038 E C -0.268 176.276 176.600 -0.093 0.000 1.032 1038 E CA -0.115 56.269 56.400 -0.026 0.000 0.889 1038 E CB 0.465 30.152 29.700 -0.022 0.000 0.984 1038 E HN 0.213 nan 8.360 nan 0.000 0.425 1039 I N 5.364 125.913 120.570 -0.035 0.000 2.339 1039 I HA 0.234 4.400 4.170 -0.008 0.000 0.290 1039 I C -0.489 175.586 176.117 -0.070 0.000 0.994 1039 I CA -0.721 60.499 61.300 -0.132 0.000 1.191 1039 I CB 1.036 39.035 38.000 -0.001 0.000 1.343 1039 I HN 0.355 nan 8.210 nan 0.000 0.458 1040 I N 6.789 127.251 120.570 -0.179 0.000 2.330 1040 I HA 0.295 4.460 4.170 -0.008 0.000 0.289 1040 I C -0.533 175.516 176.117 -0.112 0.000 1.001 1040 I CA -0.441 60.828 61.300 -0.053 0.000 1.193 1040 I CB 0.871 38.831 38.000 -0.066 0.000 1.345 1040 I HN 0.322 nan 8.210 nan 0.000 0.461 1041 F N 6.299 126.216 119.950 -0.056 0.000 2.371 1041 F HA 0.531 5.053 4.527 -0.008 0.000 0.363 1041 F C 0.518 176.324 175.800 0.009 0.000 1.122 1041 F CA -0.380 57.603 58.000 -0.029 0.000 1.129 1041 F CB 0.764 39.732 39.000 -0.053 0.000 1.173 1041 F HN 0.362 nan 8.300 nan 0.000 0.489 1042 K N 3.717 124.212 120.400 0.157 0.000 2.610 1042 K HA 0.357 4.673 4.320 -0.008 0.000 0.267 1042 K C -1.802 174.860 176.600 0.103 0.000 0.943 1042 K CA -0.687 55.667 56.287 0.113 0.000 0.862 1042 K CB 1.436 33.967 32.500 0.051 0.000 1.376 1042 K HN 0.529 nan 8.250 nan 0.000 0.412 1043 L N 3.314 124.598 121.223 0.101 0.000 2.369 1043 L HA 0.214 4.550 4.340 -0.008 0.000 0.279 1043 L C -0.385 176.526 176.870 0.067 0.000 1.108 1043 L CA -0.029 54.881 54.840 0.117 0.000 0.852 1043 L CB 0.375 42.450 42.059 0.027 0.000 1.169 1043 L HN 0.580 nan 8.230 nan 0.000 0.452 1044 D N 3.220 123.684 120.400 0.106 0.000 2.440 1044 D HA 0.667 5.303 4.640 -0.008 0.000 0.252 1044 D C -0.153 176.194 176.300 0.079 0.000 1.180 1044 D CA -0.058 53.974 54.000 0.053 0.000 0.894 1044 D CB 1.349 42.160 40.800 0.019 0.000 1.111 1044 D HN 0.657 nan 8.370 nan 0.000 0.544 1045 G N 2.248 111.078 108.800 0.049 0.000 2.335 1045 G HA2 0.171 4.126 3.960 -0.008 0.000 0.291 1045 G HA3 0.171 4.126 3.960 -0.008 0.000 0.291 1045 G C -1.380 173.526 174.900 0.010 0.000 1.261 1045 G CA -0.907 44.226 45.100 0.055 0.000 0.871 1045 G HN 0.274 nan 8.290 nan 0.000 0.491 1046 D N 0.937 121.345 120.400 0.013 0.000 2.522 1046 D HA 0.451 5.086 4.640 -0.008 0.000 0.218 1046 D C 0.878 177.159 176.300 -0.032 0.000 1.149 1046 D CA -0.170 53.826 54.000 -0.007 0.000 0.981 1046 D CB -0.177 40.628 40.800 0.009 0.000 1.041 1046 D HN 0.576 nan 8.370 nan 0.000 0.518 1047 I N -2.031 118.485 120.570 -0.090 0.000 2.676 1047 I HA 0.515 4.680 4.170 -0.008 0.000 0.309 1047 I C 0.154 176.209 176.117 -0.103 0.000 0.990 1047 I CA -1.001 60.200 61.300 -0.165 0.000 1.168 1047 I CB 1.572 39.367 38.000 -0.342 0.000 1.343 1047 I HN -0.071 nan 8.210 nan 0.000 0.482 1048 D N 2.687 123.029 120.400 -0.097 0.000 2.341 1048 D HA 0.136 4.772 4.640 -0.008 0.000 0.245 1048 D C 0.950 177.220 176.300 -0.051 0.000 1.106 1048 D CA -0.114 53.857 54.000 -0.049 0.000 0.905 1048 D CB 1.428 42.212 40.800 -0.027 0.000 1.202 1048 D HN 0.593 nan 8.370 nan 0.000 0.426 1049 R N 0.341 120.827 120.500 -0.023 0.000 2.127 1049 R HA -0.124 4.211 4.340 -0.008 0.000 0.238 1049 R C 1.875 178.183 176.300 0.013 0.000 1.134 1049 R CA 1.670 57.764 56.100 -0.010 0.000 0.975 1049 R CB -0.331 29.969 30.300 0.000 0.000 0.865 1049 R HN 0.546 nan 8.270 nan 0.000 0.447 1050 T N -2.173 112.394 114.554 0.021 0.000 3.113 1050 T HA -0.053 4.293 4.350 -0.008 0.000 0.256 1050 T C 0.810 175.558 174.700 0.079 0.000 1.131 1050 T CA -0.088 62.056 62.100 0.074 0.000 1.074 1050 T CB 0.091 68.994 68.868 0.059 0.000 0.944 1050 T HN -0.019 nan 8.240 nan 0.000 0.516 1051 Q N 1.771 121.554 119.800 -0.028 0.000 2.311 1051 Q HA 0.482 4.818 4.340 -0.008 0.000 0.272 1051 Q C -0.641 175.346 176.000 -0.022 0.000 1.012 1051 Q CA -0.333 55.386 55.803 -0.140 0.000 0.891 1051 Q CB 0.000 28.579 28.738 -0.266 0.000 1.201 1051 Q HN 0.611 nan 8.270 nan 0.000 0.391 1052 F N 1.779 121.690 119.950 -0.064 0.000 2.711 1052 F HA 0.775 5.297 4.527 -0.008 0.000 0.313 1052 F C -1.611 174.177 175.800 -0.020 0.000 1.141 1052 F CA -1.344 56.609 58.000 -0.078 0.000 0.941 1052 F CB 1.164 40.087 39.000 -0.128 0.000 1.349 1052 F HN 0.283 nan 8.300 nan 0.000 0.464 1053 I N 0.978 121.697 120.570 0.248 0.000 2.692 1053 I HA 0.231 4.396 4.170 -0.008 0.000 0.293 1053 I C -1.833 174.345 176.117 0.102 0.000 1.200 1053 I CA -0.871 60.544 61.300 0.191 0.000 1.036 1053 I CB 1.965 40.078 38.000 0.188 0.000 1.258 1053 I HN 0.837 nan 8.210 nan 0.000 0.421 1054 W N 5.987 127.316 121.300 0.048 0.000 2.551 1054 W HA 0.741 5.396 4.660 -0.008 0.000 0.330 1054 W C 0.122 176.574 176.519 -0.111 0.000 1.063 1054 W CA -0.437 56.872 57.345 -0.061 0.000 1.222 1054 W CB 1.856 31.191 29.460 -0.208 0.000 1.349 1054 W HN 0.321 nan 8.180 nan 0.000 0.536 1055 M N 3.028 122.654 119.600 0.043 0.000 2.631 1055 M HA 0.546 5.021 4.480 -0.008 0.000 0.288 1055 M C -1.444 174.852 176.300 -0.007 0.000 1.260 1055 M CA -0.766 54.514 55.300 -0.035 0.000 0.842 1055 M CB 2.402 34.699 32.600 -0.505 0.000 1.743 1055 M HN 0.401 nan 8.290 nan 0.000 0.461 1056 K N 1.692 122.279 120.400 0.312 0.000 2.572 1056 K HA 0.294 4.609 4.320 -0.008 0.000 0.263 1056 K C -1.626 175.271 176.600 0.495 0.000 0.932 1056 K CA -0.505 55.891 56.287 0.181 0.000 0.838 1056 K CB 1.236 33.546 32.500 -0.317 0.000 1.366 1056 K HN 0.836 nan 8.250 nan 0.000 0.425 1057 Y N 1.424 121.990 120.300 0.444 0.000 3.234 1057 Y HA -0.288 4.259 4.550 -0.006 0.000 0.207 1057 Y C -0.592 175.667 175.900 0.598 0.000 1.316 1057 Y CA -0.048 58.334 58.100 0.470 0.000 1.309 1057 Y CB -1.198 37.526 38.460 0.440 0.000 1.408 1057 Y HN 0.492 nan 8.280 nan 0.000 0.544 1058 F N 2.554 122.902 119.950 0.663 0.000 2.504 1058 F HA 0.415 4.939 4.527 -0.005 0.000 0.369 1058 F C 0.520 176.610 175.800 0.484 0.000 1.082 1058 F CA 0.374 58.755 58.000 0.635 0.000 1.216 1058 F CB 0.587 39.984 39.000 0.662 0.000 1.108 1058 F HN 0.095 nan 8.300 nan 0.000 0.554 1059 S N 6.092 121.722 115.700 -0.117 0.000 2.579 1059 S HA 0.792 5.257 4.470 -0.008 0.000 0.272 1059 S C -1.107 173.377 174.600 -0.194 0.000 1.141 1059 S CA -0.980 57.189 58.200 -0.052 0.000 0.843 1059 S CB 1.727 64.940 63.200 0.022 0.000 1.122 1059 S HN 0.557 nan 8.310 nan 0.000 0.468 1060 I N 1.247 121.756 120.570 -0.103 0.000 2.582 1060 I HA 0.549 4.714 4.170 -0.008 0.000 0.292 1060 I C -1.544 174.518 176.117 -0.091 0.000 1.066 1060 I CA -0.676 60.623 61.300 -0.003 0.000 1.053 1060 I CB 1.843 39.901 38.000 0.097 0.000 1.241 1060 I HN 0.561 nan 8.210 nan 0.000 0.421 1061 F N 3.281 123.199 119.950 -0.053 0.000 2.495 1061 F HA 0.296 4.818 4.527 -0.008 0.000 0.327 1061 F C 0.819 176.604 175.800 -0.025 0.000 1.103 1061 F CA -0.953 57.015 58.000 -0.053 0.000 0.949 1061 F CB 1.301 40.261 39.000 -0.067 0.000 1.142 1061 F HN 0.475 nan 8.300 nan 0.000 0.457 1062 N N 0.518 119.277 118.700 0.098 0.000 2.484 1062 N HA 0.095 4.830 4.740 -0.008 0.000 0.245 1062 N C -0.351 175.268 175.510 0.181 0.000 1.184 1062 N CA 0.115 53.208 53.050 0.071 0.000 0.884 1062 N CB 0.423 38.858 38.487 -0.086 0.000 1.182 1062 N HN 0.607 nan 8.380 nan 0.000 0.493 1063 T N -1.493 113.174 114.554 0.189 0.000 2.769 1063 T HA 0.177 4.522 4.350 -0.008 0.000 0.306 1063 T C -2.015 172.695 174.700 0.017 0.000 1.400 1063 T CA -0.809 61.361 62.100 0.118 0.000 1.007 1063 T CB 1.433 70.358 68.868 0.094 0.000 1.392 1063 T HN 0.241 nan 8.240 nan 0.000 0.500 1064 E N 2.477 122.654 120.200 -0.038 0.000 2.194 1064 E HA 0.401 4.747 4.350 -0.008 0.000 0.284 1064 E C -0.529 175.956 176.600 -0.192 0.000 1.035 1064 E CA -0.413 55.907 56.400 -0.134 0.000 0.836 1064 E CB 0.428 30.068 29.700 -0.100 0.000 1.070 1064 E HN 0.479 nan 8.360 nan 0.000 0.401 1065 L N 3.772 124.801 121.223 -0.324 0.000 2.397 1065 L HA 0.133 4.468 4.340 -0.008 0.000 0.271 1065 L C 0.727 177.391 176.870 -0.344 0.000 1.148 1065 L CA -0.352 54.247 54.840 -0.402 0.000 0.825 1065 L CB 1.155 42.848 42.059 -0.610 0.000 1.117 1065 L HN 0.623 nan 8.230 nan 0.000 0.456 1066 S N 1.374 116.910 115.700 -0.273 0.000 2.632 1066 S HA 0.069 4.534 4.470 -0.008 0.000 0.267 1066 S C 0.669 175.102 174.600 -0.279 0.000 1.276 1066 S CA -0.635 57.440 58.200 -0.208 0.000 0.998 1066 S CB 1.520 64.641 63.200 -0.130 0.000 0.953 1066 S HN 0.680 nan 8.310 nan 0.000 0.547 1067 Q N 0.856 120.547 119.800 -0.181 0.000 2.135 1067 Q HA -0.135 4.200 4.340 -0.008 0.000 0.204 1067 Q C 2.106 178.024 176.000 -0.136 0.000 0.981 1067 Q CA 2.117 57.830 55.803 -0.150 0.000 0.856 1067 Q CB -0.798 27.969 28.738 0.049 0.000 0.902 1067 Q HN 0.832 nan 8.270 nan 0.000 0.425 1068 S N 0.420 116.059 115.700 -0.103 0.000 2.368 1068 S HA -0.093 4.372 4.470 -0.008 0.000 0.224 1068 S C 1.600 176.141 174.600 -0.098 0.000 1.029 1068 S CA 1.157 59.312 58.200 -0.076 0.000 0.988 1068 S CB -0.079 63.086 63.200 -0.060 0.000 0.838 1068 S HN 0.452 nan 8.310 nan 0.000 0.462 1069 N N 1.448 120.059 118.700 -0.149 0.000 2.120 1069 N HA -0.011 4.725 4.740 -0.008 0.000 0.188 1069 N C 1.785 177.195 175.510 -0.166 0.000 1.024 1069 N CA 1.486 54.435 53.050 -0.168 0.000 0.852 1069 N CB -0.499 37.839 38.487 -0.248 0.000 1.003 1069 N HN 0.477 nan 8.380 nan 0.000 0.424 1070 I N 0.941 121.371 120.570 -0.234 0.000 2.252 1070 I HA -0.210 3.955 4.170 -0.008 0.000 0.245 1070 I C 2.413 178.536 176.117 0.009 0.000 1.102 1070 I CA 0.962 62.151 61.300 -0.184 0.000 1.385 1070 I CB -0.175 37.535 38.000 -0.483 0.000 1.064 1070 I HN 0.048 nan 8.210 nan 0.000 0.414 1071 E N 1.458 121.647 120.200 -0.018 0.000 2.077 1071 E HA -0.285 4.060 4.350 -0.008 0.000 0.193 1071 E C 2.012 178.671 176.600 0.099 0.000 0.989 1071 E CA 1.652 58.097 56.400 0.076 0.000 0.800 1071 E CB -0.145 29.578 29.700 0.039 0.000 0.746 1071 E HN 0.438 nan 8.360 nan 0.000 0.452 1072 E N -0.096 120.120 120.200 0.025 0.000 2.077 1072 E HA -0.229 4.117 4.350 -0.008 0.000 0.193 1072 E C 2.279 178.882 176.600 0.005 0.000 0.989 1072 E CA 0.978 57.381 56.400 0.005 0.000 0.800 1072 E CB -0.114 29.571 29.700 -0.024 0.000 0.746 1072 E HN 0.147 nan 8.360 nan 0.000 0.452 1073 R N -0.622 119.889 120.500 0.018 0.000 2.081 1073 R HA -0.201 4.134 4.340 -0.008 0.000 0.235 1073 R C 2.381 178.621 176.300 -0.099 0.000 1.131 1073 R CA 1.557 57.660 56.100 0.005 0.000 0.960 1073 R CB -0.410 29.947 30.300 0.096 0.000 0.856 1073 R HN 0.271 nan 8.270 nan 0.000 0.436 1074 Y N 1.508 121.669 120.300 -0.231 0.000 2.128 1074 Y HA -0.237 4.307 4.550 -0.009 0.000 0.284 1074 Y C 1.680 177.544 175.900 -0.059 0.000 1.154 1074 Y CA 1.847 59.744 58.100 -0.339 0.000 1.149 1074 Y CB -0.105 38.314 38.460 -0.067 0.000 0.976 1074 Y HN -0.039 nan 8.280 nan 0.000 0.505 1075 K N -0.072 120.253 120.400 -0.126 0.000 2.057 1075 K HA -0.134 4.181 4.320 -0.008 0.000 0.206 1075 K C 2.168 178.698 176.600 -0.116 0.000 1.050 1075 K CA 1.874 58.052 56.287 -0.183 0.000 0.935 1075 K CB -0.312 32.147 32.500 -0.067 0.000 0.715 1075 K HN 0.359 nan 8.250 nan 0.000 0.439 1076 I N 1.426 121.948 120.570 -0.080 0.000 2.179 1076 I HA -0.305 3.860 4.170 -0.008 0.000 0.242 1076 I C 2.252 178.341 176.117 -0.048 0.000 1.088 1076 I CA 1.475 62.736 61.300 -0.066 0.000 1.357 1076 I CB -0.226 37.734 38.000 -0.067 0.000 1.051 1076 I HN 0.222 nan 8.210 nan 0.000 0.409 1077 Q N -0.158 119.614 119.800 -0.047 0.000 2.436 1077 Q HA -0.059 4.276 4.340 -0.008 0.000 0.209 1077 Q C 2.131 178.055 176.000 -0.126 0.000 0.965 1077 Q CA 0.822 56.619 55.803 -0.009 0.000 0.910 1077 Q CB 0.148 28.996 28.738 0.184 0.000 0.980 1077 Q HN 0.411 nan 8.270 nan 0.000 0.491 1078 S N -0.353 115.272 115.700 -0.125 0.000 2.458 1078 S HA -0.019 4.446 4.470 -0.008 0.000 0.223 1078 S C 0.183 174.665 174.600 -0.196 0.000 1.019 1078 S CA -0.242 57.829 58.200 -0.214 0.000 0.937 1078 S CB -0.020 63.022 63.200 -0.264 0.000 0.788 1078 S HN 0.368 nan 8.310 nan 0.000 0.511 1079 Y N 3.885 124.045 120.300 -0.233 0.000 2.702 1079 Y HA 0.262 4.808 4.550 -0.006 0.000 0.336 1079 Y C 0.369 176.080 175.900 -0.315 0.000 1.235 1079 Y CA 0.082 58.039 58.100 -0.238 0.000 1.492 1079 Y CB 0.293 38.639 38.460 -0.189 0.000 1.308 1079 Y HN 0.177 nan 8.280 nan 0.000 0.589 1080 S N 3.256 118.117 115.700 -1.399 0.000 2.565 1080 S HA 0.273 4.738 4.470 -0.008 0.000 0.274 1080 S C -0.384 173.449 174.600 -1.278 0.000 1.144 1080 S CA -1.002 56.417 58.200 -1.300 0.000 0.849 1080 S CB 1.507 63.762 63.200 -1.576 0.000 1.103 1080 S HN 0.627 nan 8.310 nan 0.000 0.455 1081 E N 0.104 119.779 120.200 -0.874 0.000 2.371 1081 E HA 0.108 4.453 4.350 -0.008 0.000 0.194 1081 E C 0.165 176.557 176.600 -0.347 0.000 1.012 1081 E CA 0.734 56.853 56.400 -0.469 0.000 0.860 1081 E CB -0.171 29.410 29.700 -0.198 0.000 0.811 1081 E HN 0.767 nan 8.360 nan 0.000 0.502 1082 Y N -0.706 119.448 120.300 -0.243 0.000 2.432 1082 Y HA 0.574 5.120 4.550 -0.007 0.000 0.322 1082 Y C 0.376 176.147 175.900 -0.215 0.000 1.246 1082 Y CA -1.407 56.571 58.100 -0.203 0.000 1.268 1082 Y CB 0.202 38.556 38.460 -0.176 0.000 1.276 1082 Y HN -0.322 nan 8.280 nan 0.000 0.499 1083 L N 1.868 123.121 121.223 0.050 0.000 2.454 1083 L HA 0.489 4.825 4.340 -0.008 0.000 0.256 1083 L C -0.000 176.912 176.870 0.071 0.000 1.136 1083 L CA -0.788 54.049 54.840 -0.006 0.000 0.804 1083 L CB 0.827 42.848 42.059 -0.063 0.000 1.181 1083 L HN 0.690 nan 8.230 nan 0.000 0.469 1084 K N -0.424 119.987 120.400 0.020 0.000 2.352 1084 K HA 0.394 4.710 4.320 -0.008 0.000 0.240 1084 K C -1.326 175.222 176.600 -0.086 0.000 1.017 1084 K CA -0.931 55.327 56.287 -0.049 0.000 0.851 1084 K CB 1.483 33.906 32.500 -0.129 0.000 1.261 1084 K HN 0.605 nan 8.250 nan 0.000 0.451 1085 D N -0.563 119.755 120.400 -0.136 0.000 2.529 1085 D HA 0.032 4.667 4.640 -0.008 0.000 0.273 1085 D C 0.739 176.956 176.300 -0.139 0.000 1.197 1085 D CA -0.581 53.354 54.000 -0.108 0.000 1.070 1085 D CB 0.130 40.903 40.800 -0.044 0.000 1.134 1085 D HN 0.420 nan 8.370 nan 0.000 0.590 1086 F N -0.488 119.254 119.950 -0.346 0.000 2.154 1086 F HA -0.086 4.437 4.527 -0.007 0.000 0.301 1086 F C 1.423 176.968 175.800 -0.425 0.000 1.087 1086 F CA 1.332 59.032 58.000 -0.500 0.000 1.274 1086 F CB -0.102 38.354 39.000 -0.906 0.000 1.009 1086 F HN 0.390 nan 8.300 nan 0.000 0.485 1087 W N -0.379 120.968 121.300 0.077 0.000 2.800 1087 W HA 0.271 4.926 4.660 -0.008 0.000 0.249 1087 W C 1.860 178.314 176.519 -0.107 0.000 1.294 1087 W CA 0.499 57.856 57.345 0.020 0.000 1.402 1087 W CB -0.287 29.231 29.460 0.096 0.000 1.126 1087 W HN 0.223 nan 8.180 nan 0.000 0.652 1088 G N -0.201 108.374 108.800 -0.376 0.000 2.176 1088 G HA2 -0.268 3.688 3.960 -0.008 0.000 0.232 1088 G HA3 -0.268 3.688 3.960 -0.008 0.000 0.232 1088 G C 0.220 174.972 174.900 -0.248 0.000 0.986 1088 G CA -0.368 44.235 45.100 -0.828 0.000 0.643 1088 G HN 0.154 nan 8.290 nan 0.000 0.522 1089 N N 1.202 119.887 118.700 -0.025 0.000 2.434 1089 N HA 0.474 5.209 4.740 -0.008 0.000 0.266 1089 N C -2.704 172.718 175.510 -0.146 0.000 1.223 1089 N CA -1.324 51.689 53.050 -0.061 0.000 0.972 1089 N CB 0.508 39.016 38.487 0.035 0.000 1.207 1089 N HN 0.024 nan 8.380 nan 0.000 0.525 1090 P HA 0.036 nan 4.420 nan 0.000 0.268 1090 P C -0.144 177.028 177.300 -0.214 0.000 1.204 1090 P CA -0.257 62.592 63.100 -0.418 0.000 0.768 1090 P CB 0.456 31.670 31.700 -0.809 0.000 0.842 1091 L N 4.642 125.761 121.223 -0.174 0.000 2.416 1091 L HA 0.262 4.598 4.340 -0.008 0.000 0.272 1091 L C -0.221 176.554 176.870 -0.158 0.000 1.161 1091 L CA 0.975 55.720 54.840 -0.158 0.000 0.845 1091 L CB -0.149 41.764 42.059 -0.243 0.000 1.119 1091 L HN 0.275 nan 8.230 nan 0.000 0.464 1092 M N 4.362 123.959 119.600 -0.006 0.000 2.602 1092 M HA 0.319 4.794 4.480 -0.008 0.000 0.312 1092 M C -0.821 175.426 176.300 -0.088 0.000 1.181 1092 M CA -0.449 54.815 55.300 -0.059 0.000 0.910 1092 M CB 1.598 34.196 32.600 -0.003 0.000 1.723 1092 M HN 0.387 nan 8.290 nan 0.000 0.459 1093 Y N 1.354 121.644 120.300 -0.017 0.000 2.300 1093 Y HA 0.170 4.715 4.550 -0.008 0.000 0.328 1093 Y C 1.028 176.908 175.900 -0.033 0.000 1.270 1093 Y CA 0.405 58.492 58.100 -0.022 0.000 1.352 1093 Y CB 0.555 39.000 38.460 -0.025 0.000 1.286 1093 Y HN 0.754 nan 8.280 nan 0.000 0.536 1094 N N 0.716 119.514 118.700 0.163 0.000 2.725 1094 N HA -0.252 4.483 4.740 -0.008 0.000 0.249 1094 N C -0.750 174.748 175.510 -0.020 0.000 1.103 1094 N CA 0.930 54.026 53.050 0.076 0.000 0.707 1094 N CB -0.916 37.617 38.487 0.076 0.000 1.043 1094 N HN 0.575 nan 8.380 nan 0.000 0.553 1095 K N 1.071 121.385 120.400 -0.143 0.000 2.426 1095 K HA 0.240 4.556 4.320 -0.008 0.000 0.254 1095 K C -0.451 175.825 176.600 -0.540 0.000 0.936 1095 K CA -0.502 55.568 56.287 -0.361 0.000 0.801 1095 K CB 1.431 33.619 32.500 -0.520 0.000 1.139 1095 K HN 0.015 nan 8.250 nan 0.000 0.424 1096 E N 3.252 123.254 120.200 -0.331 0.000 2.376 1096 E HA 0.016 4.362 4.350 -0.008 0.000 0.266 1096 E C -1.024 175.378 176.600 -0.329 0.000 1.009 1096 E CA 0.501 56.775 56.400 -0.210 0.000 0.902 1096 E CB 0.470 30.094 29.700 -0.126 0.000 0.972 1096 E HN 0.400 nan 8.360 nan 0.000 0.439 1097 Y N 1.213 121.545 120.300 0.052 0.000 2.492 1097 Y HA 0.274 4.819 4.550 -0.007 0.000 0.346 1097 Y C -0.600 175.369 175.900 0.115 0.000 0.997 1097 Y CA -1.196 56.981 58.100 0.128 0.000 1.025 1097 Y CB 1.334 40.006 38.460 0.352 0.000 1.263 1097 Y HN 0.436 nan 8.280 nan 0.000 0.454 1098 Y N 2.039 122.599 120.300 0.433 0.000 2.335 1098 Y HA 0.495 5.040 4.550 -0.008 0.000 0.323 1098 Y C 0.123 176.148 175.900 0.208 0.000 1.224 1098 Y CA -0.709 57.586 58.100 0.325 0.000 1.241 1098 Y CB 1.048 39.632 38.460 0.207 0.000 1.235 1098 Y HN 0.350 nan 8.280 nan 0.000 0.492 1099 M N 2.965 122.722 119.600 0.262 0.000 2.336 1099 M HA 0.317 4.792 4.480 -0.008 0.000 0.342 1099 M C -1.373 175.019 176.300 0.154 0.000 1.128 1099 M CA -0.542 54.739 55.300 -0.033 0.000 1.016 1099 M CB 1.391 33.714 32.600 -0.462 0.000 1.665 1099 M HN 0.583 nan 8.290 nan 0.000 0.445 1100 F N 3.250 123.182 119.950 -0.031 0.000 2.508 1100 F HA 0.504 5.026 4.527 -0.008 0.000 0.325 1100 F C -0.766 175.035 175.800 0.000 0.000 1.090 1100 F CA -0.685 57.308 58.000 -0.012 0.000 0.945 1100 F CB 1.177 40.128 39.000 -0.082 0.000 1.156 1100 F HN 0.476 nan 8.300 nan 0.000 0.463 1101 N N 4.123 122.209 118.700 -1.023 0.000 2.443 1101 N HA 0.343 5.078 4.740 -0.008 0.000 0.269 1101 N C 0.194 174.950 175.510 -1.256 0.000 0.985 1101 N CA 0.166 52.536 53.050 -1.133 0.000 0.921 1101 N CB 2.037 39.874 38.487 -1.083 0.000 1.195 1101 N HN 0.885 nan 8.380 nan 0.000 0.492 1102 A N 2.670 124.998 122.820 -0.821 0.000 2.125 1102 A HA 0.014 4.329 4.320 -0.008 0.000 0.219 1102 A C 1.633 179.034 177.584 -0.305 0.000 1.156 1102 A CA 1.671 53.465 52.037 -0.405 0.000 0.671 1102 A CB -0.288 18.666 19.000 -0.077 0.000 0.794 1102 A HN 0.695 nan 8.150 nan 0.000 0.459 1103 G N -1.295 107.282 108.800 -0.372 0.000 2.796 1103 G HA2 0.157 4.112 3.960 -0.008 0.000 0.210 1103 G HA3 0.157 4.112 3.960 -0.008 0.000 0.210 1103 G C 0.203 174.968 174.900 -0.224 0.000 1.146 1103 G CA 0.146 45.106 45.100 -0.233 0.000 0.779 1103 G HN 0.509 nan 8.290 nan 0.000 0.535 1104 N N -0.106 118.397 118.700 -0.329 0.000 2.703 1104 N HA 0.236 4.971 4.740 -0.008 0.000 0.283 1104 N C 0.931 176.265 175.510 -0.292 0.000 1.851 1104 N CA -0.333 52.570 53.050 -0.245 0.000 0.826 1104 N CB 1.222 39.580 38.487 -0.215 0.000 1.239 1104 N HN 0.021 nan 8.380 nan 0.000 0.495 1105 K N 0.057 120.312 120.400 -0.242 0.000 2.052 1105 K HA -0.148 4.168 4.320 -0.008 0.000 0.215 1105 K C 0.508 177.133 176.600 0.041 0.000 1.053 1105 K CA 1.212 57.426 56.287 -0.123 0.000 0.934 1105 K CB -0.014 32.566 32.500 0.134 0.000 0.717 1105 K HN 0.293 nan 8.250 nan 0.000 0.450 1106 N N 0.567 119.293 118.700 0.043 0.000 2.421 1106 N HA 0.027 4.762 4.740 -0.008 0.000 0.201 1106 N C -0.639 174.916 175.510 0.075 0.000 1.198 1106 N CA 0.277 53.380 53.050 0.088 0.000 0.838 1106 N CB 0.496 39.030 38.487 0.079 0.000 1.011 1106 N HN 0.015 nan 8.380 nan 0.000 0.463 1107 S N 0.131 115.842 115.700 0.019 0.000 2.578 1107 S HA 0.627 5.092 4.470 -0.008 0.000 0.301 1107 S C -0.670 173.982 174.600 0.087 0.000 1.091 1107 S CA -0.734 57.461 58.200 -0.007 0.000 1.032 1107 S CB 1.435 64.585 63.200 -0.083 0.000 1.064 1107 S HN 0.360 nan 8.310 nan 0.000 0.508 1108 Y N -1.019 119.283 120.300 0.004 0.000 2.615 1108 Y HA 0.786 5.332 4.550 -0.008 0.000 0.341 1108 Y C -1.423 174.484 175.900 0.012 0.000 1.089 1108 Y CA -1.492 56.626 58.100 0.030 0.000 1.049 1108 Y CB 0.482 38.971 38.460 0.048 0.000 1.296 1108 Y HN 0.487 nan 8.280 nan 0.000 0.470 1109 I N 2.755 123.438 120.570 0.189 0.000 2.385 1109 I HA 0.461 4.627 4.170 -0.008 0.000 0.294 1109 I C -0.374 175.811 176.117 0.113 0.000 0.988 1109 I CA -0.684 60.622 61.300 0.011 0.000 1.265 1109 I CB 1.580 39.458 38.000 -0.203 0.000 1.388 1109 I HN 0.628 nan 8.210 nan 0.000 0.480 1110 K N 5.773 126.166 120.400 -0.011 0.000 2.501 1110 K HA 0.399 4.714 4.320 -0.008 0.000 0.252 1110 K C -1.383 175.186 176.600 -0.052 0.000 0.934 1110 K CA -0.939 55.357 56.287 0.015 0.000 0.797 1110 K CB 2.151 34.707 32.500 0.095 0.000 1.270 1110 K HN 0.445 nan 8.250 nan 0.000 0.431 1111 L N 3.970 125.147 121.223 -0.076 0.000 2.534 1111 L HA 0.154 4.490 4.340 -0.008 0.000 0.271 1111 L C -0.090 176.790 176.870 0.017 0.000 1.178 1111 L CA 0.677 55.500 54.840 -0.028 0.000 0.907 1111 L CB 0.184 42.245 42.059 0.003 0.000 1.164 1111 L HN 0.570 nan 8.230 nan 0.000 0.482 1112 K N 4.368 124.799 120.400 0.051 0.000 2.401 1112 K HA -0.036 4.279 4.320 -0.008 0.000 0.278 1112 K C 1.113 177.748 176.600 0.058 0.000 1.018 1112 K CA 0.182 56.501 56.287 0.053 0.000 0.981 1112 K CB 0.695 33.256 32.500 0.101 0.000 0.933 1112 K HN 0.779 nan 8.250 nan 0.000 0.477 1113 K N 2.575 122.997 120.400 0.038 0.000 2.074 1113 K HA -0.207 4.109 4.320 -0.008 0.000 0.209 1113 K C 0.567 177.200 176.600 0.055 0.000 1.048 1113 K CA 2.445 58.754 56.287 0.037 0.000 0.926 1113 K CB 0.109 32.623 32.500 0.023 0.000 0.713 1113 K HN 0.750 nan 8.250 nan 0.000 0.444 1114 D N -1.015 119.422 120.400 0.062 0.000 2.398 1114 D HA 0.004 4.639 4.640 -0.008 0.000 0.210 1114 D C -0.223 176.128 176.300 0.086 0.000 1.094 1114 D CA -0.340 53.700 54.000 0.068 0.000 0.839 1114 D CB 0.541 41.373 40.800 0.054 0.000 0.963 1114 D HN 0.102 nan 8.370 nan 0.000 0.506 1115 S N -0.742 115.020 115.700 0.103 0.000 2.546 1115 S HA 0.517 4.983 4.470 -0.008 0.000 0.274 1115 S C -2.824 171.861 174.600 0.142 0.000 1.121 1115 S CA -1.347 56.923 58.200 0.117 0.000 0.887 1115 S CB 2.165 65.428 63.200 0.104 0.000 1.094 1115 S HN -0.109 nan 8.310 nan 0.000 0.474 1116 P HA 0.212 nan 4.420 nan 0.000 0.228 1116 P C -0.057 177.304 177.300 0.102 0.000 1.748 1116 P CA -0.023 63.123 63.100 0.077 0.000 0.909 1116 P CB -0.660 30.963 31.700 -0.128 0.000 1.882 1117 V N -2.974 117.043 119.914 0.171 0.000 3.141 1117 V HA 0.944 5.060 4.120 -0.008 0.000 0.312 1117 V C -0.118 176.116 176.094 0.233 0.000 1.157 1117 V CA -1.200 61.235 62.300 0.226 0.000 1.041 1117 V CB 1.790 33.760 31.823 0.244 0.000 1.071 1117 V HN 0.118 nan 8.190 nan 0.000 0.441 1118 G N 1.595 110.577 108.800 0.303 0.000 2.415 1118 G HA2 0.599 4.554 3.960 -0.008 0.000 0.317 1118 G HA3 0.599 4.554 3.960 -0.008 0.000 0.317 1118 G C -0.319 174.673 174.900 0.154 0.000 1.152 1118 G CA -0.388 44.827 45.100 0.193 0.000 0.956 1118 G HN 1.041 nan 8.290 nan 0.000 0.458 1119 E N 2.192 122.371 120.200 -0.034 0.000 2.349 1119 E HA 0.408 4.754 4.350 -0.008 0.000 0.262 1119 E C -0.445 176.009 176.600 -0.243 0.000 1.088 1119 E CA -0.814 55.401 56.400 -0.308 0.000 0.899 1119 E CB 1.539 31.032 29.700 -0.345 0.000 1.044 1119 E HN 0.128 nan 8.360 nan 0.000 0.420 1120 I N 2.892 123.286 120.570 -0.292 0.000 2.321 1120 I HA 0.273 4.438 4.170 -0.008 0.000 0.291 1120 I C -0.023 175.888 176.117 -0.342 0.000 0.998 1120 I CA -0.510 60.646 61.300 -0.241 0.000 1.227 1120 I CB 0.273 38.210 38.000 -0.103 0.000 1.368 1120 I HN 0.559 nan 8.210 nan 0.000 0.466 1121 L N 4.729 125.603 121.223 -0.582 0.000 2.304 1121 L HA 0.551 4.886 4.340 -0.008 0.000 0.268 1121 L C 0.423 176.981 176.870 -0.520 0.000 1.010 1121 L CA -0.775 53.696 54.840 -0.616 0.000 0.813 1121 L CB 1.854 43.424 42.059 -0.815 0.000 1.315 1121 L HN 0.442 nan 8.230 nan 0.000 0.445 1122 T N 0.822 115.248 114.554 -0.213 0.000 2.771 1122 T HA 0.308 4.653 4.350 -0.008 0.000 0.291 1122 T C 0.121 174.951 174.700 0.217 0.000 0.954 1122 T CA -0.552 61.543 62.100 -0.009 0.000 1.045 1122 T CB 0.491 69.365 68.868 0.010 0.000 0.917 1122 T HN 0.369 nan 8.240 nan 0.000 0.484 1123 R N 2.295 122.976 120.500 0.302 0.000 2.585 1123 R HA 0.178 4.514 4.340 -0.008 0.000 0.275 1123 R C 1.084 177.497 176.300 0.188 0.000 1.018 1123 R CA -0.218 56.077 56.100 0.325 0.000 1.072 1123 R CB 0.255 30.687 30.300 0.220 0.000 0.953 1123 R HN 0.780 nan 8.270 nan 0.000 0.419 1124 S N 2.397 118.179 115.700 0.136 0.000 2.617 1124 S HA 0.226 4.691 4.470 -0.008 0.000 0.259 1124 S C 0.008 174.657 174.600 0.080 0.000 1.301 1124 S CA -0.548 57.704 58.200 0.086 0.000 0.984 1124 S CB 0.834 64.066 63.200 0.054 0.000 0.954 1124 S HN 0.671 nan 8.310 nan 0.000 0.572 1125 K N -0.999 119.425 120.400 0.040 0.000 2.466 1125 K HA 0.426 4.741 4.320 -0.008 0.000 0.260 1125 K C -1.308 175.237 176.600 -0.092 0.000 1.011 1125 K CA -1.109 55.178 56.287 -0.000 0.000 0.871 1125 K CB 0.514 33.016 32.500 0.003 0.000 1.404 1125 K HN 0.537 nan 8.250 nan 0.000 0.450 1126 Y N 1.920 121.947 120.300 -0.456 0.000 2.805 1126 Y HA -0.034 4.511 4.550 -0.007 0.000 0.331 1126 Y C -0.073 175.701 175.900 -0.210 0.000 1.241 1126 Y CA 0.573 58.360 58.100 -0.522 0.000 1.546 1126 Y CB 0.296 38.233 38.460 -0.873 0.000 1.248 1126 Y HN 0.656 nan 8.280 nan 0.000 0.559 1127 N N 3.993 122.287 118.700 -0.677 0.000 2.220 1127 N HA 0.020 4.756 4.740 -0.008 0.000 0.195 1127 N C -0.211 174.925 175.510 -0.625 0.000 1.123 1127 N CA 0.200 52.940 53.050 -0.517 0.000 0.874 1127 N CB 0.265 38.601 38.487 -0.253 0.000 0.995 1127 N HN 0.744 nan 8.380 nan 0.000 0.498 1128 Q N 0.800 119.955 119.800 -1.076 0.000 2.407 1128 Q HA 0.107 4.442 4.340 -0.008 0.000 0.214 1128 Q C 0.724 176.525 176.000 -0.332 0.000 1.043 1128 Q CA -0.188 55.278 55.803 -0.562 0.000 0.983 1128 Q CB 0.369 28.932 28.738 -0.292 0.000 1.211 1128 Q HN 0.225 nan 8.270 nan 0.000 0.564 1129 N N -1.056 117.600 118.700 -0.074 0.000 2.383 1129 N HA -0.026 4.709 4.740 -0.008 0.000 0.192 1129 N C -0.167 175.396 175.510 0.088 0.000 1.141 1129 N CA -0.031 53.022 53.050 0.005 0.000 0.851 1129 N CB 0.415 38.895 38.487 -0.012 0.000 0.976 1129 N HN 0.207 nan 8.380 nan 0.000 0.465 1130 S N 0.676 116.508 115.700 0.219 0.000 2.549 1130 S HA 0.013 4.478 4.470 -0.008 0.000 0.286 1130 S C 1.213 175.857 174.600 0.074 0.000 1.314 1130 S CA -0.508 57.788 58.200 0.160 0.000 1.062 1130 S CB 0.484 63.795 63.200 0.184 0.000 0.865 1130 S HN 0.585 nan 8.310 nan 0.000 0.498 1131 K N 3.748 124.094 120.400 -0.090 0.000 2.400 1131 K HA 0.029 4.345 4.320 -0.008 0.000 0.194 1131 K C 0.758 177.214 176.600 -0.240 0.000 1.033 1131 K CA 0.853 57.023 56.287 -0.194 0.000 1.021 1131 K CB -0.148 32.157 32.500 -0.325 0.000 0.808 1131 K HN 0.706 nan 8.250 nan 0.000 0.505 1132 Y N 2.126 122.382 120.300 -0.073 0.000 2.490 1132 Y HA 0.213 4.759 4.550 -0.008 0.000 0.285 1132 Y C 1.219 177.000 175.900 -0.197 0.000 1.117 1132 Y CA -0.452 57.576 58.100 -0.119 0.000 1.262 1132 Y CB 0.255 38.633 38.460 -0.136 0.000 1.043 1132 Y HN 0.110 nan 8.280 nan 0.000 0.553 1133 I N -2.066 118.421 120.570 -0.140 0.000 2.892 1133 I HA 0.519 4.684 4.170 -0.008 0.000 0.306 1133 I C -0.945 175.022 176.117 -0.249 0.000 1.078 1133 I CA -1.102 60.018 61.300 -0.300 0.000 1.032 1133 I CB 2.445 40.026 38.000 -0.698 0.000 1.229 1133 I HN -0.102 nan 8.210 nan 0.000 0.435 1134 N N 2.947 121.596 118.700 -0.086 0.000 2.555 1134 N HA 0.444 5.180 4.740 -0.008 0.000 0.265 1134 N C -2.177 173.442 175.510 0.181 0.000 1.135 1134 N CA -0.233 52.813 53.050 -0.006 0.000 0.925 1134 N CB 2.774 41.304 38.487 0.072 0.000 1.662 1134 N HN 0.856 nan 8.380 nan 0.000 0.489 1135 Y N -0.440 119.994 120.300 0.224 0.000 2.702 1135 Y HA 0.568 5.114 4.550 -0.008 0.000 0.336 1135 Y C -1.696 174.359 175.900 0.258 0.000 1.203 1135 Y CA -1.109 57.156 58.100 0.276 0.000 1.072 1135 Y CB 0.596 39.285 38.460 0.383 0.000 1.327 1135 Y HN 0.269 nan 8.280 nan 0.000 0.456 1136 R N 1.621 122.402 120.500 0.468 0.000 2.474 1136 R HA 0.299 4.635 4.340 -0.008 0.000 0.295 1136 R C -1.168 175.380 176.300 0.413 0.000 0.980 1136 R CA -0.831 55.459 56.100 0.316 0.000 0.934 1136 R CB 1.186 31.615 30.300 0.215 0.000 1.101 1136 R HN 0.797 nan 8.270 nan 0.000 0.469 1137 D N 2.596 123.174 120.400 0.296 0.000 2.488 1137 D HA -0.016 4.620 4.640 -0.008 0.000 0.238 1137 D C 1.230 177.504 176.300 -0.042 0.000 1.138 1137 D CA 0.317 54.439 54.000 0.202 0.000 0.873 1137 D CB 1.096 41.958 40.800 0.102 0.000 1.183 1137 D HN 0.367 nan 8.370 nan 0.000 0.458 1138 L N 1.291 122.361 121.223 -0.255 0.000 2.500 1138 L HA 0.021 4.356 4.340 -0.008 0.000 0.219 1138 L C 0.459 177.036 176.870 -0.488 0.000 1.057 1138 L CA 0.179 54.716 54.840 -0.504 0.000 0.854 1138 L CB 0.089 41.578 42.059 -0.950 0.000 1.078 1138 L HN 0.327 nan 8.230 nan 0.000 0.480 1139 Y N 1.767 121.790 120.300 -0.462 0.000 2.667 1139 Y HA 0.475 5.020 4.550 -0.008 0.000 0.340 1139 Y C -0.002 175.321 175.900 -0.961 0.000 1.303 1139 Y CA -0.895 56.573 58.100 -1.054 0.000 1.769 1139 Y CB -0.374 37.797 38.460 -0.483 0.000 1.804 1139 Y HN -0.003 nan 8.280 nan 0.000 0.451 1140 I N -0.306 119.821 120.570 -0.739 0.000 2.913 1140 I HA 0.814 4.980 4.170 -0.008 0.000 0.302 1140 I C 0.151 176.095 176.117 -0.288 0.000 1.246 1140 I CA -0.193 60.818 61.300 -0.481 0.000 1.010 1140 I CB 2.161 39.788 38.000 -0.622 0.000 1.259 1140 I HN 0.503 nan 8.210 nan 0.000 0.434 1141 G N 4.461 113.136 108.800 -0.209 0.000 2.610 1141 G HA2 -0.096 3.859 3.960 -0.008 0.000 0.304 1141 G HA3 -0.096 3.859 3.960 -0.008 0.000 0.304 1141 G C -1.078 173.966 174.900 0.240 0.000 1.309 1141 G CA -0.708 44.485 45.100 0.154 0.000 0.906 1141 G HN 0.696 nan 8.290 nan 0.000 0.521 1142 E N 0.678 120.964 120.200 0.144 0.000 2.398 1142 E HA 0.261 4.606 4.350 -0.008 0.000 0.263 1142 E C 0.413 176.984 176.600 -0.047 0.000 1.046 1142 E CA 0.213 56.559 56.400 -0.091 0.000 0.908 1142 E CB 0.553 29.877 29.700 -0.627 0.000 0.963 1142 E HN 0.478 nan 8.360 nan 0.000 0.431 1143 K N 2.580 122.935 120.400 -0.075 0.000 2.263 1143 K HA 0.262 4.577 4.320 -0.008 0.000 0.282 1143 K C -0.392 176.184 176.600 -0.039 0.000 1.089 1143 K CA -0.202 56.022 56.287 -0.105 0.000 0.907 1143 K CB 0.319 32.784 32.500 -0.058 0.000 1.148 1143 K HN 0.216 nan 8.250 nan 0.000 0.470 1144 F N 2.393 122.406 119.950 0.105 0.000 2.380 1144 F HA 0.542 5.065 4.527 -0.007 0.000 0.319 1144 F C 0.378 176.254 175.800 0.128 0.000 1.113 1144 F CA -0.895 57.201 58.000 0.161 0.000 1.056 1144 F CB 0.808 39.945 39.000 0.229 0.000 1.289 1144 F HN 0.328 nan 8.300 nan 0.000 0.515 1145 I N 1.556 122.295 120.570 0.281 0.000 2.710 1145 I HA 0.361 4.526 4.170 -0.008 0.000 0.290 1145 I C -1.510 174.693 176.117 0.143 0.000 1.318 1145 I CA -0.382 61.007 61.300 0.148 0.000 1.045 1145 I CB 1.294 39.321 38.000 0.045 0.000 1.307 1145 I HN 0.365 nan 8.210 nan 0.000 0.424 1146 I N 7.164 127.803 120.570 0.114 0.000 2.325 1146 I HA 0.407 4.572 4.170 -0.008 0.000 0.291 1146 I C -0.159 176.117 176.117 0.265 0.000 1.019 1146 I CA -0.648 60.715 61.300 0.105 0.000 1.302 1146 I CB 0.549 38.477 38.000 -0.119 0.000 1.401 1146 I HN 0.378 nan 8.210 nan 0.000 0.485 1147 R N 5.596 126.263 120.500 0.280 0.000 2.589 1147 R HA 0.475 4.811 4.340 -0.008 0.000 0.293 1147 R C -0.290 176.113 176.300 0.173 0.000 0.963 1147 R CA -0.972 55.280 56.100 0.254 0.000 0.905 1147 R CB 1.640 32.086 30.300 0.243 0.000 1.144 1147 R HN 0.597 nan 8.270 nan 0.000 0.459 1148 R N 1.490 121.884 120.500 -0.178 0.000 2.441 1148 R HA 0.026 4.362 4.340 -0.008 0.000 0.284 1148 R C 0.874 177.029 176.300 -0.241 0.000 1.070 1148 R CA -0.112 55.717 56.100 -0.452 0.000 1.047 1148 R CB 0.778 30.559 30.300 -0.864 0.000 1.016 1148 R HN 0.448 nan 8.270 nan 0.000 0.477 1149 K N 1.883 122.108 120.400 -0.291 0.000 2.029 1149 K HA 0.065 4.381 4.320 -0.008 0.000 0.205 1149 K C 0.215 176.727 176.600 -0.147 0.000 1.042 1149 K CA 1.190 57.262 56.287 -0.359 0.000 0.949 1149 K CB -0.111 32.150 32.500 -0.399 0.000 0.740 1149 K HN 0.557 nan 8.250 nan 0.000 0.442 1150 S N 1.891 117.526 115.700 -0.109 0.000 2.650 1150 S HA -0.039 4.426 4.470 -0.008 0.000 0.251 1150 S C -0.780 173.783 174.600 -0.061 0.000 1.325 1150 S CA 0.012 58.174 58.200 -0.063 0.000 0.967 1150 S CB -0.404 62.774 63.200 -0.037 0.000 1.000 1150 S HN 0.663 nan 8.310 nan 0.000 0.584 1151 N N 0.799 119.475 118.700 -0.039 0.000 1.729 1151 N HA -0.201 4.535 4.740 -0.008 0.000 0.404 1151 N C -0.045 175.446 175.510 -0.032 0.000 1.128 1151 N CA 0.841 53.872 53.050 -0.031 0.000 0.730 1151 N CB -0.352 38.114 38.487 -0.034 0.000 0.948 1151 N HN 0.698 nan 8.380 nan 0.000 0.571 1152 S N -0.701 114.992 115.700 -0.012 0.000 3.033 1152 S HA 0.133 4.599 4.470 -0.008 0.000 0.258 1152 S C 1.306 175.901 174.600 -0.009 0.000 1.207 1152 S CA 0.355 58.553 58.200 -0.004 0.000 1.248 1152 S CB -0.241 62.964 63.200 0.009 0.000 0.932 1152 S HN 0.928 nan 8.310 nan 0.000 0.472 1153 Q N 0.573 120.359 119.800 -0.022 0.000 2.283 1153 Q HA 0.525 4.861 4.340 -0.008 0.000 0.223 1153 Q C 0.720 176.709 176.000 -0.018 0.000 0.918 1153 Q CA 0.314 56.105 55.803 -0.020 0.000 0.952 1153 Q CB -1.379 27.342 28.738 -0.027 0.000 1.030 1153 Q HN 0.770 nan 8.270 nan 0.000 0.452 1154 S N -1.049 114.644 115.700 -0.012 0.000 3.697 1154 S HA -0.183 4.283 4.470 -0.008 0.000 0.638 1154 S C 0.328 174.921 174.600 -0.011 0.000 2.176 1154 S CA 0.478 58.676 58.200 -0.004 0.000 2.349 1154 S CB -1.063 62.137 63.200 -0.000 0.000 0.329 1154 S HN 1.455 nan 8.310 nan 0.000 1.794 1155 I N -1.200 119.372 120.570 0.002 0.000 2.621 1155 I HA 0.629 4.795 4.170 -0.008 0.000 0.276 1155 I C 0.433 176.559 176.117 0.014 0.000 1.118 1155 I CA -0.218 61.087 61.300 0.008 0.000 1.159 1155 I CB 0.051 38.068 38.000 0.029 0.000 1.357 1155 I HN 0.649 nan 8.210 nan 0.000 0.513 1156 N N 4.317 123.020 118.700 0.006 0.000 2.518 1156 N HA 0.266 5.001 4.740 -0.008 0.000 0.230 1156 N C 0.273 175.795 175.510 0.020 0.000 1.022 1156 N CA 0.651 53.707 53.050 0.010 0.000 1.172 1156 N CB 0.116 38.605 38.487 0.004 0.000 1.498 1156 N HN 0.657 nan 8.380 nan 0.000 0.602 1157 D N -2.227 118.188 120.400 0.025 0.000 2.742 1157 D HA 0.534 5.169 4.640 -0.008 0.000 0.262 1157 D C -2.093 174.247 176.300 0.065 0.000 1.240 1157 D CA -0.248 53.782 54.000 0.049 0.000 0.752 1157 D CB 2.585 43.397 40.800 0.019 0.000 1.290 1157 D HN 0.476 nan 8.370 nan 0.000 0.420 1158 D N -0.666 119.806 120.400 0.120 0.000 2.993 1158 D HA 0.267 4.902 4.640 -0.008 0.000 0.284 1158 D C -1.311 175.091 176.300 0.169 0.000 1.172 1158 D CA -0.494 53.590 54.000 0.139 0.000 0.729 1158 D CB 1.046 41.931 40.800 0.143 0.000 1.270 1158 D HN 0.210 nan 8.370 nan 0.000 0.436 1159 I N 1.283 121.911 120.570 0.097 0.000 2.395 1159 I HA 0.329 4.494 4.170 -0.008 0.000 0.289 1159 I C -0.001 176.122 176.117 0.010 0.000 1.023 1159 I CA -0.822 60.465 61.300 -0.021 0.000 1.350 1159 I CB 1.270 39.216 38.000 -0.090 0.000 1.409 1159 I HN 0.084 nan 8.210 nan 0.000 0.507 1160 V N 7.476 127.245 119.914 -0.241 0.000 2.432 1160 V HA 0.316 4.432 4.120 -0.008 0.000 0.271 1160 V C 0.430 176.456 176.094 -0.114 0.000 1.046 1160 V CA -0.448 61.635 62.300 -0.361 0.000 0.945 1160 V CB 0.500 31.928 31.823 -0.658 0.000 0.992 1160 V HN 0.695 nan 8.190 nan 0.000 0.471 1161 R N 3.088 123.565 120.500 -0.037 0.000 2.720 1161 R HA 0.507 4.842 4.340 -0.008 0.000 0.272 1161 R C -0.383 175.858 176.300 -0.098 0.000 0.991 1161 R CA -1.090 54.988 56.100 -0.037 0.000 1.010 1161 R CB 1.773 32.072 30.300 -0.002 0.000 1.141 1161 R HN 0.583 nan 8.270 nan 0.000 0.494 1162 K N 2.292 122.616 120.400 -0.128 0.000 2.489 1162 K HA -0.099 4.216 4.320 -0.008 0.000 0.278 1162 K C 0.009 176.505 176.600 -0.174 0.000 1.000 1162 K CA 0.538 56.725 56.287 -0.166 0.000 1.012 1162 K CB 0.280 32.673 32.500 -0.178 0.000 0.903 1162 K HN 0.610 nan 8.250 nan 0.000 0.485 1163 E N -0.207 119.854 120.200 -0.232 0.000 4.129 1163 E HA -0.185 4.161 4.350 -0.008 0.000 0.354 1163 E C -0.737 175.622 176.600 -0.401 0.000 0.673 1163 E CA 0.902 57.123 56.400 -0.298 0.000 1.347 1163 E CB -1.158 28.416 29.700 -0.209 0.000 1.722 1163 E HN 0.713 nan 8.360 nan 0.000 0.410 1164 D N 0.066 120.304 120.400 -0.270 0.000 2.423 1164 D HA 0.141 4.776 4.640 -0.008 0.000 0.238 1164 D C 0.132 176.226 176.300 -0.343 0.000 1.142 1164 D CA 0.478 54.359 54.000 -0.199 0.000 0.884 1164 D CB 0.167 40.966 40.800 -0.002 0.000 1.199 1164 D HN 0.008 nan 8.370 nan 0.000 0.438 1165 Y N 1.181 121.448 120.300 -0.054 0.000 2.326 1165 Y HA 0.377 4.923 4.550 -0.007 0.000 0.337 1165 Y C 0.743 176.557 175.900 -0.144 0.000 1.023 1165 Y CA -0.613 57.421 58.100 -0.111 0.000 1.143 1165 Y CB 0.703 39.088 38.460 -0.125 0.000 1.183 1165 Y HN 0.188 nan 8.280 nan 0.000 0.485 1166 I N -0.974 119.568 120.570 -0.046 0.000 3.264 1166 I HA 0.606 4.772 4.170 -0.008 0.000 0.315 1166 I C -1.913 174.117 176.117 -0.145 0.000 1.154 1166 I CA -1.422 59.829 61.300 -0.082 0.000 0.962 1166 I CB 2.827 40.854 38.000 0.045 0.000 1.265 1166 I HN 0.408 nan 8.210 nan 0.000 0.463 1167 Y N 2.047 122.386 120.300 0.066 0.000 2.341 1167 Y HA 0.572 5.118 4.550 -0.007 0.000 0.338 1167 Y C -0.698 175.230 175.900 0.046 0.000 0.965 1167 Y CA -1.061 57.059 58.100 0.034 0.000 1.108 1167 Y CB 2.303 40.781 38.460 0.030 0.000 1.180 1167 Y HN 0.392 nan 8.280 nan 0.000 0.458 1168 L N 5.104 126.454 121.223 0.212 0.000 2.264 1168 L HA 0.488 4.823 4.340 -0.008 0.000 0.287 1168 L C -1.069 175.968 176.870 0.278 0.000 1.039 1168 L CA -0.057 54.918 54.840 0.224 0.000 0.829 1168 L CB -0.094 42.085 42.059 0.200 0.000 1.211 1168 L HN 0.564 nan 8.230 nan 0.000 0.427 1169 D N 4.039 124.591 120.400 0.253 0.000 2.525 1169 D HA 0.704 5.339 4.640 -0.008 0.000 0.249 1169 D C -0.875 175.551 176.300 0.211 0.000 1.072 1169 D CA 0.223 54.320 54.000 0.161 0.000 1.067 1169 D CB 1.601 42.350 40.800 -0.084 0.000 1.282 1169 D HN 0.332 nan 8.370 nan 0.000 0.587 1170 F N -1.900 117.857 119.950 -0.323 0.000 2.741 1170 F HA 0.613 5.136 4.527 -0.008 0.000 0.311 1170 F C -1.952 173.476 175.800 -0.620 0.000 1.149 1170 F CA -1.425 56.232 58.000 -0.572 0.000 0.930 1170 F CB 0.527 39.013 39.000 -0.857 0.000 1.312 1170 F HN 0.033 nan 8.300 nan 0.000 0.450 1171 F N 2.132 121.947 119.950 -0.226 0.000 2.410 1171 F HA 0.425 4.947 4.527 -0.008 0.000 0.349 1171 F C 0.236 175.820 175.800 -0.360 0.000 1.117 1171 F CA -0.532 57.282 58.000 -0.311 0.000 1.104 1171 F CB 1.187 40.083 39.000 -0.173 0.000 1.122 1171 F HN 0.576 nan 8.300 nan 0.000 0.483 1172 N N 5.681 124.131 118.700 -0.416 0.000 2.706 1172 N HA 0.479 5.214 4.740 -0.008 0.000 0.240 1172 N C 0.030 175.359 175.510 -0.302 0.000 1.039 1172 N CA -0.008 52.726 53.050 -0.526 0.000 0.888 1172 N CB 0.131 37.831 38.487 -1.311 0.000 1.128 1172 N HN 0.768 nan 8.380 nan 0.000 0.512 1173 L N 0.977 122.113 121.223 -0.145 0.000 6.599 1173 L HA -0.440 3.896 4.340 -0.008 0.000 0.053 1173 L C 1.048 177.884 176.870 -0.057 0.000 2.154 1173 L CA 1.331 56.117 54.840 -0.090 0.000 1.573 1173 L CB -1.024 40.979 42.059 -0.093 0.000 2.834 1173 L HN 0.485 nan 8.230 nan 0.000 1.072 1174 N N 0.148 118.824 118.700 -0.040 0.000 2.461 1174 N HA 0.040 4.776 4.740 -0.008 0.000 0.188 1174 N C -0.083 175.454 175.510 0.046 0.000 1.134 1174 N CA 0.592 53.635 53.050 -0.013 0.000 0.878 1174 N CB 0.258 38.738 38.487 -0.012 0.000 0.972 1174 N HN 0.306 nan 8.380 nan 0.000 0.456 1175 Q N 0.001 119.826 119.800 0.042 0.000 2.266 1175 Q HA 0.236 4.572 4.340 -0.008 0.000 0.261 1175 Q C -0.979 175.073 176.000 0.086 0.000 0.985 1175 Q CA -0.640 55.224 55.803 0.102 0.000 0.873 1175 Q CB 1.942 30.791 28.738 0.186 0.000 1.306 1175 Q HN 0.193 nan 8.270 nan 0.000 0.447 1176 E N 1.781 122.038 120.200 0.096 0.000 2.081 1176 E HA 0.166 4.511 4.350 -0.008 0.000 0.276 1176 E C -1.254 175.322 176.600 -0.040 0.000 0.950 1176 E CA -0.462 55.858 56.400 -0.133 0.000 0.776 1176 E CB 0.651 30.261 29.700 -0.150 0.000 1.094 1176 E HN 0.370 nan 8.360 nan 0.000 0.402 1177 W N 2.808 123.690 121.300 -0.697 0.000 2.353 1177 W HA 0.500 5.155 4.660 -0.008 0.000 0.377 1177 W C 0.379 176.619 176.519 -0.464 0.000 1.375 1177 W CA -0.800 56.162 57.345 -0.637 0.000 1.503 1177 W CB 0.737 29.617 29.460 -0.965 0.000 1.345 1177 W HN 0.462 nan 8.180 nan 0.000 0.683 1178 R N -0.084 120.402 120.500 -0.023 0.000 2.837 1178 R HA 0.694 5.029 4.340 -0.008 0.000 0.271 1178 R C -1.820 174.437 176.300 -0.070 0.000 0.993 1178 R CA -0.680 55.344 56.100 -0.126 0.000 0.931 1178 R CB 1.804 31.805 30.300 -0.499 0.000 1.206 1178 R HN 0.233 nan 8.270 nan 0.000 0.474 1179 V N 3.646 123.539 119.914 -0.036 0.000 2.383 1179 V HA 0.422 4.537 4.120 -0.008 0.000 0.275 1179 V C -1.058 175.053 176.094 0.029 0.000 1.036 1179 V CA -0.249 62.139 62.300 0.148 0.000 0.889 1179 V CB 0.804 32.834 31.823 0.345 0.000 0.985 1179 V HN 0.602 nan 8.190 nan 0.000 0.459 1180 Y N 1.592 122.083 120.300 0.317 0.000 2.602 1180 Y HA 0.657 5.202 4.550 -0.007 0.000 0.342 1180 Y C 0.471 176.472 175.900 0.169 0.000 1.029 1180 Y CA -0.954 57.339 58.100 0.322 0.000 1.080 1180 Y CB 2.281 40.883 38.460 0.238 0.000 1.284 1180 Y HN 0.421 nan 8.280 nan 0.000 0.485 1181 T N 1.414 116.100 114.554 0.221 0.000 2.847 1181 T HA 0.156 4.501 4.350 -0.008 0.000 0.291 1181 T C -1.431 173.412 174.700 0.239 0.000 0.998 1181 T CA -0.597 61.471 62.100 -0.052 0.000 0.967 1181 T CB 0.035 68.482 68.868 -0.702 0.000 0.954 1181 T HN 0.413 nan 8.240 nan 0.000 0.441 1182 Y N 3.963 124.331 120.300 0.113 0.000 2.650 1182 Y HA 0.071 4.617 4.550 -0.008 0.000 0.331 1182 Y C 1.436 177.215 175.900 -0.202 0.000 1.165 1182 Y CA -0.312 57.665 58.100 -0.205 0.000 1.473 1182 Y CB 0.442 38.798 38.460 -0.173 0.000 1.224 1182 Y HN 0.622 nan 8.280 nan 0.000 0.533 1183 K N 4.114 123.910 120.400 -1.006 0.000 2.103 1183 K HA -0.209 4.107 4.320 -0.008 0.000 0.207 1183 K C 0.094 176.069 176.600 -1.042 0.000 1.048 1183 K CA 1.807 57.379 56.287 -1.192 0.000 0.930 1183 K CB -0.192 31.177 32.500 -1.884 0.000 0.716 1183 K HN 0.682 nan 8.250 nan 0.000 0.444 1184 Y N 0.701 120.398 120.300 -1.004 0.000 2.811 1184 Y HA 0.156 4.701 4.550 -0.007 0.000 0.330 1184 Y C 0.020 175.795 175.900 -0.208 0.000 1.081 1184 Y CA -1.525 56.224 58.100 -0.585 0.000 1.408 1184 Y CB -0.971 37.168 38.460 -0.534 0.000 1.235 1184 Y HN -0.048 nan 8.280 nan 0.000 0.529 1185 F N -0.824 119.073 119.950 -0.088 0.000 2.429 1185 F HA 0.474 4.996 4.527 -0.008 0.000 0.348 1185 F C 0.621 176.465 175.800 0.073 0.000 1.109 1185 F CA -1.325 56.745 58.000 0.116 0.000 1.232 1185 F CB 0.970 40.059 39.000 0.148 0.000 1.157 1185 F HN -0.118 nan 8.300 nan 0.000 0.564 1186 K N 1.677 122.089 120.400 0.019 0.000 2.360 1186 K HA 0.172 4.487 4.320 -0.008 0.000 0.196 1186 K C 0.322 176.902 176.600 -0.034 0.000 1.049 1186 K CA -0.136 56.091 56.287 -0.099 0.000 1.049 1186 K CB 0.332 32.825 32.500 -0.012 0.000 0.881 1186 K HN 0.586 nan 8.250 nan 0.000 0.542 1187 K N 1.047 121.529 120.400 0.136 0.000 2.273 1187 K HA -0.002 4.313 4.320 -0.008 0.000 0.240 1187 K C 1.020 177.733 176.600 0.189 0.000 1.056 1187 K CA -0.061 56.321 56.287 0.158 0.000 0.910 1187 K CB 0.471 33.089 32.500 0.196 0.000 1.196 1187 K HN -0.152 nan 8.250 nan 0.000 0.509 1188 E N 0.936 121.214 120.200 0.131 0.000 2.152 1188 E HA -0.135 4.210 4.350 -0.008 0.000 0.192 1188 E C -0.142 176.585 176.600 0.211 0.000 0.983 1188 E CA 1.239 57.716 56.400 0.129 0.000 0.818 1188 E CB 0.341 30.063 29.700 0.036 0.000 0.758 1188 E HN 0.492 nan 8.360 nan 0.000 0.467 1189 E N -0.593 119.692 120.200 0.142 0.000 2.458 1189 E HA 0.352 4.698 4.350 -0.008 0.000 0.278 1189 E C -0.796 175.811 176.600 0.012 0.000 1.004 1189 E CA -0.858 55.568 56.400 0.044 0.000 0.823 1189 E CB 1.297 30.880 29.700 -0.195 0.000 1.396 1189 E HN 0.177 nan 8.360 nan 0.000 0.463 1190 E N 0.060 120.196 120.200 -0.107 0.000 2.416 1190 E HA 0.414 4.759 4.350 -0.008 0.000 0.280 1190 E C -1.369 175.232 176.600 0.002 0.000 1.055 1190 E CA -1.021 55.352 56.400 -0.047 0.000 0.825 1190 E CB 1.420 30.962 29.700 -0.263 0.000 1.312 1190 E HN 0.311 nan 8.360 nan 0.000 0.452 1191 K N 1.610 122.023 120.400 0.022 0.000 2.350 1191 K HA 0.254 4.570 4.320 -0.008 0.000 0.279 1191 K C -0.065 176.564 176.600 0.047 0.000 1.027 1191 K CA -0.296 56.007 56.287 0.027 0.000 0.969 1191 K CB 0.517 32.942 32.500 -0.126 0.000 0.954 1191 K HN 0.327 nan 8.250 nan 0.000 0.474 1192 L N 2.875 124.135 121.223 0.061 0.000 2.452 1192 L HA 0.156 4.492 4.340 -0.008 0.000 0.267 1192 L C 0.096 177.116 176.870 0.249 0.000 1.188 1192 L CA -0.294 54.587 54.840 0.070 0.000 0.821 1192 L CB 0.081 42.067 42.059 -0.122 0.000 1.102 1192 L HN 0.494 nan 8.230 nan 0.000 0.470 1193 F N 3.664 123.698 119.950 0.140 0.000 2.385 1193 F HA 0.446 4.969 4.527 -0.008 0.000 0.360 1193 F C -0.584 175.360 175.800 0.241 0.000 1.122 1193 F CA -0.606 57.476 58.000 0.137 0.000 1.090 1193 F CB 0.547 39.557 39.000 0.017 0.000 1.150 1193 F HN 0.123 nan 8.300 nan 0.000 0.472 1194 L N 7.095 128.203 121.223 -0.191 0.000 2.287 1194 L HA 0.863 5.198 4.340 -0.008 0.000 0.287 1194 L C -0.228 176.505 176.870 -0.228 0.000 1.022 1194 L CA -0.614 54.274 54.840 0.081 0.000 0.814 1194 L CB 0.883 43.173 42.059 0.385 0.000 1.217 1194 L HN 0.812 nan 8.230 nan 0.000 0.420 1195 A N 4.872 127.546 122.820 -0.244 0.000 2.557 1195 A HA 0.844 5.160 4.320 -0.008 0.000 0.292 1195 A C -2.932 174.039 177.584 -1.022 0.000 1.139 1195 A CA -1.275 50.204 52.037 -0.931 0.000 0.665 1195 A CB 1.434 19.859 19.000 -0.958 0.000 1.285 1195 A HN 0.400 nan 8.150 nan 0.000 0.433 1196 P HA 0.261 nan 4.420 nan 0.000 0.270 1196 P C -0.560 176.537 177.300 -0.338 0.000 1.227 1196 P CA 0.069 62.562 63.100 -1.011 0.000 0.788 1196 P CB 0.229 31.495 31.700 -0.722 0.000 0.926 1197 I N 0.872 121.330 120.570 -0.186 0.000 2.533 1197 I HA 0.190 4.355 4.170 -0.008 0.000 0.284 1197 I C 0.756 176.851 176.117 -0.036 0.000 1.109 1197 I CA 1.078 62.346 61.300 -0.053 0.000 1.412 1197 I CB -0.091 37.856 38.000 -0.089 0.000 1.396 1197 I HN 0.433 nan 8.210 nan 0.000 0.543 1198 S N 4.139 119.863 115.700 0.039 0.000 2.627 1198 S HA 0.272 4.737 4.470 -0.008 0.000 0.268 1198 S C -1.554 173.065 174.600 0.033 0.000 1.130 1198 S CA -1.118 57.077 58.200 -0.009 0.000 0.819 1198 S CB 2.083 65.241 63.200 -0.070 0.000 1.100 1198 S HN 0.636 nan 8.310 nan 0.000 0.465 1199 D N 1.019 121.432 120.400 0.023 0.000 2.453 1199 D HA 0.515 5.151 4.640 -0.008 0.000 0.238 1199 D C -1.118 175.208 176.300 0.043 0.000 1.088 1199 D CA 0.013 54.048 54.000 0.060 0.000 0.854 1199 D CB 1.810 42.649 40.800 0.065 0.000 1.076 1199 D HN 0.525 nan 8.370 nan 0.000 0.533 1200 S N 3.033 118.767 115.700 0.058 0.000 2.482 1200 S HA 0.160 4.626 4.470 -0.008 0.000 0.303 1200 S C 0.678 175.318 174.600 0.066 0.000 1.091 1200 S CA -0.613 57.632 58.200 0.075 0.000 1.057 1200 S CB 1.782 65.077 63.200 0.159 0.000 1.031 1200 S HN 0.385 nan 8.310 nan 0.000 0.485 1201 D N 2.814 123.228 120.400 0.024 0.000 2.310 1201 D HA -0.031 4.605 4.640 -0.008 0.000 0.212 1201 D C 1.180 177.416 176.300 -0.105 0.000 0.965 1201 D CA 1.088 55.079 54.000 -0.014 0.000 0.879 1201 D CB 0.299 41.103 40.800 0.006 0.000 0.921 1201 D HN 0.763 nan 8.370 nan 0.000 0.510 1202 E N -1.499 118.613 120.200 -0.147 0.000 2.474 1202 E HA 0.065 4.410 4.350 -0.008 0.000 0.194 1202 E C -0.305 175.803 176.600 -0.821 0.000 1.041 1202 E CA 0.045 56.201 56.400 -0.406 0.000 0.874 1202 E CB 0.444 29.910 29.700 -0.389 0.000 0.914 1202 E HN 0.186 nan 8.360 nan 0.000 0.498 1203 F N -0.356 119.443 119.950 -0.251 0.000 2.565 1203 F HA 0.330 4.853 4.527 -0.008 0.000 0.313 1203 F C -0.435 175.308 175.800 -0.095 0.000 1.091 1203 F CA -1.242 56.637 58.000 -0.202 0.000 0.915 1203 F CB 1.003 39.918 39.000 -0.141 0.000 1.208 1203 F HN -0.180 nan 8.300 nan 0.000 0.453 1204 Y N 1.641 122.116 120.300 0.292 0.000 2.304 1204 Y HA 0.209 4.754 4.550 -0.007 0.000 0.328 1204 Y C 0.932 177.197 175.900 0.608 0.000 1.123 1204 Y CA -0.660 57.649 58.100 0.348 0.000 1.218 1204 Y CB 0.808 39.440 38.460 0.287 0.000 1.207 1204 Y HN 0.583 nan 8.280 nan 0.000 0.495 1205 N N -1.910 117.249 118.700 0.765 0.000 2.143 1205 N HA 0.091 4.826 4.740 -0.008 0.000 0.222 1205 N C -0.646 175.214 175.510 0.584 0.000 1.264 1205 N CA -0.140 53.327 53.050 0.695 0.000 0.897 1205 N CB 0.411 39.258 38.487 0.600 0.000 1.092 1205 N HN 0.307 nan 8.380 nan 0.000 0.516 1206 T N 1.453 116.298 114.554 0.484 0.000 2.771 1206 T HA 0.514 4.860 4.350 -0.008 0.000 0.281 1206 T C -0.160 174.504 174.700 -0.061 0.000 0.982 1206 T CA -0.417 61.808 62.100 0.208 0.000 0.978 1206 T CB 1.259 70.217 68.868 0.150 0.000 0.930 1206 T HN 0.065 nan 8.240 nan 0.000 0.447 1207 I N 2.496 122.944 120.570 -0.203 0.000 2.562 1207 I HA 0.420 4.586 4.170 -0.008 0.000 0.301 1207 I C 0.135 176.161 176.117 -0.152 0.000 1.003 1207 I CA -0.907 60.156 61.300 -0.396 0.000 1.127 1207 I CB 2.059 39.771 38.000 -0.479 0.000 1.304 1207 I HN 0.445 nan 8.210 nan 0.000 0.446 1208 Q N 5.590 125.282 119.800 -0.180 0.000 2.341 1208 Q HA 0.469 4.804 4.340 -0.008 0.000 0.268 1208 Q C -1.090 174.771 176.000 -0.231 0.000 1.013 1208 Q CA -0.651 54.978 55.803 -0.289 0.000 0.798 1208 Q CB 1.926 30.455 28.738 -0.348 0.000 1.253 1208 Q HN 0.639 nan 8.270 nan 0.000 0.457 1209 I N 4.285 124.717 120.570 -0.230 0.000 2.496 1209 I HA 0.194 4.359 4.170 -0.008 0.000 0.285 1209 I C -0.749 175.241 176.117 -0.212 0.000 1.080 1209 I CA 0.090 61.289 61.300 -0.168 0.000 1.404 1209 I CB 0.183 38.092 38.000 -0.153 0.000 1.403 1209 I HN 0.579 nan 8.210 nan 0.000 0.539 1210 K N 5.511 125.789 120.400 -0.204 0.000 2.378 1210 K HA 0.511 4.826 4.320 -0.008 0.000 0.244 1210 K C -1.267 175.139 176.600 -0.323 0.000 1.039 1210 K CA -0.871 55.203 56.287 -0.354 0.000 0.863 1210 K CB 1.671 33.800 32.500 -0.618 0.000 1.326 1210 K HN 0.355 nan 8.250 nan 0.000 0.460 1211 E N 0.654 120.591 120.200 -0.439 0.000 2.642 1211 E HA 0.222 4.568 4.350 -0.008 0.000 0.284 1211 E C -0.971 175.408 176.600 -0.368 0.000 1.039 1211 E CA -0.070 56.141 56.400 -0.315 0.000 0.777 1211 E CB 0.104 29.671 29.700 -0.222 0.000 1.473 1211 E HN 0.496 nan 8.360 nan 0.000 0.388 1212 Y N 0.683 120.837 120.300 -0.243 0.000 2.519 1212 Y HA 0.164 4.709 4.550 -0.008 0.000 0.287 1212 Y C 0.876 176.457 175.900 -0.531 0.000 1.128 1212 Y CA 0.177 58.110 58.100 -0.277 0.000 1.282 1212 Y CB 0.397 38.788 38.460 -0.115 0.000 1.027 1212 Y HN 0.387 nan 8.280 nan 0.000 0.551 1213 D N 0.992 120.980 120.400 -0.688 0.000 2.351 1213 D HA -0.000 4.635 4.640 -0.008 0.000 0.251 1213 D C 0.545 176.700 176.300 -0.240 0.000 1.137 1213 D CA 0.300 53.894 54.000 -0.676 0.000 0.879 1213 D CB 0.954 41.395 40.800 -0.597 0.000 1.181 1213 D HN 0.376 nan 8.370 nan 0.000 0.448 1214 E N 1.615 121.748 120.200 -0.113 0.000 2.385 1214 E HA -0.025 4.321 4.350 -0.008 0.000 0.194 1214 E C 0.268 176.851 176.600 -0.028 0.000 1.013 1214 E CA 0.106 56.478 56.400 -0.047 0.000 0.866 1214 E CB 0.450 30.144 29.700 -0.010 0.000 0.832 1214 E HN 0.471 nan 8.360 nan 0.000 0.500 1215 Q N 0.669 120.458 119.800 -0.019 0.000 2.193 1215 Q HA 0.317 4.652 4.340 -0.008 0.000 0.246 1215 Q C -2.380 173.604 176.000 -0.027 0.000 0.959 1215 Q CA -2.452 53.353 55.803 0.002 0.000 0.904 1215 Q CB -0.012 28.759 28.738 0.054 0.000 1.238 1215 Q HN -0.093 nan 8.270 nan 0.000 0.469 1216 P HA 0.056 nan 4.420 nan 0.000 0.264 1216 P C -0.558 176.712 177.300 -0.051 0.000 1.193 1216 P CA 0.610 63.653 63.100 -0.096 0.000 0.763 1216 P CB 0.535 32.070 31.700 -0.274 0.000 0.810 1217 T N 2.248 116.762 114.554 -0.067 0.000 2.830 1217 T HA 0.350 4.695 4.350 -0.008 0.000 0.322 1217 T C -0.740 173.990 174.700 0.050 0.000 1.501 1217 T CA -0.312 61.739 62.100 -0.083 0.000 1.036 1217 T CB 0.402 69.263 68.868 -0.011 0.000 1.379 1217 T HN 0.046 nan 8.240 nan 0.000 0.493 1218 Y N 0.911 121.216 120.300 0.008 0.000 2.467 1218 Y HA 0.475 5.020 4.550 -0.007 0.000 0.250 1218 Y C 1.546 177.462 175.900 0.026 0.000 1.155 1218 Y CA -0.722 57.376 58.100 -0.004 0.000 1.249 1218 Y CB 0.020 38.449 38.460 -0.053 0.000 1.146 1218 Y HN 0.370 nan 8.280 nan 0.000 0.524 1219 S N 0.526 116.331 115.700 0.174 0.000 2.617 1219 S HA 0.492 4.958 4.470 -0.008 0.000 0.269 1219 S C 0.139 174.815 174.600 0.127 0.000 1.292 1219 S CA -0.408 57.888 58.200 0.160 0.000 1.010 1219 S CB 0.932 64.220 63.200 0.146 0.000 0.944 1219 S HN 0.431 nan 8.310 nan 0.000 0.536 1220 C N 1.682 121.076 119.300 0.156 0.000 3.171 1220 C HA 0.855 5.310 4.460 -0.008 0.000 0.308 1220 C C -1.475 173.630 174.990 0.192 0.000 1.334 1220 C CA -0.996 58.097 59.018 0.125 0.000 1.473 1220 C CB 0.673 28.488 27.740 0.125 0.000 1.866 1220 C HN 0.720 nan 8.230 nan 0.000 0.465 1221 Q N 0.563 120.453 119.800 0.150 0.000 2.399 1221 Q HA 0.864 5.200 4.340 -0.008 0.000 0.276 1221 Q C -1.242 174.849 176.000 0.151 0.000 1.098 1221 Q CA -0.428 55.514 55.803 0.232 0.000 0.827 1221 Q CB 1.766 30.711 28.738 0.345 0.000 1.386 1221 Q HN 0.751 nan 8.270 nan 0.000 0.443 1222 L N 1.714 123.040 121.223 0.171 0.000 2.372 1222 L HA 0.582 4.917 4.340 -0.008 0.000 0.274 1222 L C -1.320 175.597 176.870 0.079 0.000 0.988 1222 L CA -0.870 54.002 54.840 0.053 0.000 0.833 1222 L CB 1.298 43.351 42.059 -0.011 0.000 1.236 1222 L HN 0.387 nan 8.230 nan 0.000 0.410 1223 L N 2.823 124.058 121.223 0.020 0.000 2.329 1223 L HA 0.625 4.961 4.340 -0.008 0.000 0.279 1223 L C -1.333 175.533 176.870 -0.008 0.000 1.014 1223 L CA 0.123 55.019 54.840 0.093 0.000 0.814 1223 L CB 1.460 43.599 42.059 0.132 0.000 1.257 1223 L HN 0.255 nan 8.230 nan 0.000 0.424 1224 F N 4.533 124.538 119.950 0.092 0.000 2.388 1224 F HA 0.518 5.040 4.527 -0.007 0.000 0.358 1224 F C 0.278 176.059 175.800 -0.031 0.000 1.122 1224 F CA -0.339 57.688 58.000 0.044 0.000 1.056 1224 F CB 1.201 40.233 39.000 0.054 0.000 1.155 1224 F HN 0.365 nan 8.300 nan 0.000 0.461 1225 K N 2.756 123.218 120.400 0.103 0.000 2.221 1225 K HA 0.293 4.609 4.320 -0.008 0.000 0.243 1225 K C 0.789 177.276 176.600 -0.187 0.000 0.968 1225 K CA -0.999 55.289 56.287 0.003 0.000 0.846 1225 K CB 2.360 34.908 32.500 0.082 0.000 1.141 1225 K HN 0.481 nan 8.250 nan 0.000 0.434 1226 K N 0.888 121.162 120.400 -0.211 0.000 2.074 1226 K HA -0.185 4.131 4.320 -0.008 0.000 0.209 1226 K C 0.166 176.740 176.600 -0.043 0.000 1.048 1226 K CA 2.093 58.241 56.287 -0.230 0.000 0.926 1226 K CB 0.178 32.663 32.500 -0.026 0.000 0.713 1226 K HN 0.781 nan 8.250 nan 0.000 0.444 1227 D N -3.105 117.283 120.400 -0.020 0.000 2.742 1227 D HA -0.013 4.622 4.640 -0.008 0.000 0.262 1227 D C -0.203 176.050 176.300 -0.079 0.000 1.240 1227 D CA -0.380 53.606 54.000 -0.024 0.000 0.752 1227 D CB 0.586 41.391 40.800 0.008 0.000 1.290 1227 D HN -0.153 nan 8.370 nan 0.000 0.420 1228 E N 0.549 120.600 120.200 -0.249 0.000 2.147 1228 E HA -0.209 4.136 4.350 -0.008 0.000 0.199 1228 E C 1.386 177.933 176.600 -0.088 0.000 1.005 1228 E CA 2.192 58.360 56.400 -0.386 0.000 0.810 1228 E CB 0.050 29.296 29.700 -0.756 0.000 0.736 1228 E HN 0.533 nan 8.360 nan 0.000 0.460 1229 E N 0.407 120.570 120.200 -0.062 0.000 2.086 1229 E HA -0.009 4.337 4.350 -0.008 0.000 0.190 1229 E C 0.969 177.579 176.600 0.016 0.000 0.975 1229 E CA 0.598 56.992 56.400 -0.009 0.000 0.813 1229 E CB -0.017 29.675 29.700 -0.013 0.000 0.768 1229 E HN 0.187 nan 8.360 nan 0.000 0.457 1230 S N 0.732 116.441 115.700 0.014 0.000 2.596 1230 S HA 0.016 4.481 4.470 -0.008 0.000 0.260 1230 S C 1.033 175.655 174.600 0.035 0.000 1.336 1230 S CA 0.195 58.410 58.200 0.024 0.000 0.993 1230 S CB 0.996 64.210 63.200 0.022 0.000 0.923 1230 S HN 0.221 nan 8.310 nan 0.000 0.567 1231 T N -2.910 111.664 114.554 0.034 0.000 3.134 1231 T HA 0.217 4.562 4.350 -0.008 0.000 0.260 1231 T C -0.085 174.638 174.700 0.038 0.000 1.027 1231 T CA -0.418 61.706 62.100 0.040 0.000 0.913 1231 T CB -0.324 68.565 68.868 0.035 0.000 1.046 1231 T HN 0.603 nan 8.240 nan 0.000 0.553 1232 D N 2.868 123.285 120.400 0.029 0.000 2.374 1232 D HA 0.106 4.741 4.640 -0.008 0.000 0.240 1232 D C -0.355 175.957 176.300 0.020 0.000 1.229 1232 D CA 0.021 54.033 54.000 0.020 0.000 0.895 1232 D CB 0.613 41.421 40.800 0.013 0.000 1.046 1232 D HN 0.517 nan 8.370 nan 0.000 0.498 1233 E N 4.300 124.525 120.200 0.042 0.000 2.152 1233 E HA 0.088 4.434 4.350 -0.008 0.000 0.285 1233 E C 1.181 177.829 176.600 0.079 0.000 1.043 1233 E CA -0.668 55.774 56.400 0.070 0.000 0.839 1233 E CB 1.648 31.404 29.700 0.094 0.000 1.069 1233 E HN 0.442 nan 8.360 nan 0.000 0.399 1234 I N 1.808 122.431 120.570 0.089 0.000 2.406 1234 I HA 0.048 4.214 4.170 -0.008 0.000 0.249 1234 I C 1.196 177.471 176.117 0.263 0.000 1.122 1234 I CA 1.058 62.446 61.300 0.147 0.000 1.431 1234 I CB -1.203 36.856 38.000 0.099 0.000 1.087 1234 I HN 0.680 nan 8.210 nan 0.000 0.424 1235 G N 0.384 109.346 108.800 0.271 0.000 2.368 1235 G HA2 0.256 4.212 3.960 -0.008 0.000 0.302 1235 G HA3 0.256 4.212 3.960 -0.008 0.000 0.302 1235 G C -1.459 173.653 174.900 0.352 0.000 1.329 1235 G CA -0.901 44.383 45.100 0.306 0.000 0.935 1235 G HN 0.011 nan 8.290 nan 0.000 0.590 1236 L N 0.303 121.759 121.223 0.388 0.000 2.331 1236 L HA 0.595 4.930 4.340 -0.008 0.000 0.275 1236 L C 0.596 177.695 176.870 0.381 0.000 1.022 1236 L CA -1.057 54.000 54.840 0.362 0.000 0.812 1236 L CB 1.786 44.019 42.059 0.290 0.000 1.257 1236 L HN 0.447 nan 8.230 nan 0.000 0.435 1237 I N 1.398 122.155 120.570 0.313 0.000 2.556 1237 I HA 0.349 4.514 4.170 -0.008 0.000 0.284 1237 I C 0.767 177.170 176.117 0.477 0.000 1.114 1237 I CA 0.422 61.898 61.300 0.294 0.000 1.418 1237 I CB 0.837 38.894 38.000 0.095 0.000 1.394 1237 I HN 0.779 nan 8.210 nan 0.000 0.552 1238 G N 6.560 115.684 108.800 0.540 0.000 2.772 1238 G HA2 0.645 4.600 3.960 -0.008 0.000 0.284 1238 G HA3 0.645 4.600 3.960 -0.008 0.000 0.284 1238 G C -1.307 173.978 174.900 0.641 0.000 1.217 1238 G CA -0.557 44.873 45.100 0.551 0.000 0.831 1238 G HN 0.406 nan 8.290 nan 0.000 0.523 1239 I N 0.310 121.173 120.570 0.488 0.000 2.545 1239 I HA 0.472 4.637 4.170 -0.008 0.000 0.292 1239 I C -1.107 175.242 176.117 0.386 0.000 1.040 1239 I CA -0.688 60.865 61.300 0.421 0.000 1.068 1239 I CB 2.464 40.597 38.000 0.223 0.000 1.251 1239 I HN 0.623 nan 8.210 nan 0.000 0.424 1240 H N 5.126 124.372 119.070 0.293 0.000 2.768 1240 H HA 0.496 5.047 4.556 -0.008 0.000 0.371 1240 H C -1.025 174.385 175.328 0.137 0.000 1.151 1240 H CA -0.706 55.409 56.048 0.111 0.000 1.165 1240 H CB 1.994 31.758 29.762 0.003 0.000 1.722 1240 H HN 0.446 nan 8.280 nan 0.000 0.543 1241 R N 4.017 124.129 120.500 -0.647 0.000 2.297 1241 R HA 0.329 4.665 4.340 -0.008 0.000 0.308 1241 R C -1.337 174.766 176.300 -0.329 0.000 1.029 1241 R CA -0.362 55.578 56.100 -0.266 0.000 0.929 1241 R CB 0.323 30.461 30.300 -0.269 0.000 1.046 1241 R HN 0.404 nan 8.270 nan 0.000 0.461 1242 F N 2.861 122.942 119.950 0.218 0.000 2.546 1242 F HA 0.294 4.816 4.527 -0.008 0.000 0.320 1242 F C -0.525 175.472 175.800 0.328 0.000 1.076 1242 F CA -0.886 57.278 58.000 0.273 0.000 0.928 1242 F CB 1.212 40.350 39.000 0.231 0.000 1.189 1242 F HN 0.399 nan 8.300 nan 0.000 0.465 1243 Y N 2.192 122.667 120.300 0.292 0.000 2.328 1243 Y HA 0.479 5.025 4.550 -0.008 0.000 0.337 1243 Y C -0.754 175.151 175.900 0.010 0.000 1.008 1243 Y CA -0.814 57.274 58.100 -0.020 0.000 1.129 1243 Y CB 0.810 39.201 38.460 -0.115 0.000 1.185 1243 Y HN 0.596 nan 8.280 nan 0.000 0.476 1244 E N 3.704 123.514 120.200 -0.650 0.000 2.199 1244 E HA 0.340 4.685 4.350 -0.008 0.000 0.265 1244 E C -1.291 174.898 176.600 -0.686 0.000 0.882 1244 E CA -0.846 55.272 56.400 -0.471 0.000 0.759 1244 E CB 1.911 31.515 29.700 -0.160 0.000 1.148 1244 E HN 0.440 nan 8.360 nan 0.000 0.412 1245 S N 2.252 117.667 115.700 -0.474 0.000 2.653 1245 S HA 0.528 4.993 4.470 -0.008 0.000 0.272 1245 S C -0.184 174.349 174.600 -0.112 0.000 1.221 1245 S CA -0.523 57.493 58.200 -0.306 0.000 1.149 1245 S CB 0.488 63.559 63.200 -0.214 0.000 1.029 1245 S HN 0.638 nan 8.310 nan 0.000 0.481 1246 G N 2.392 111.161 108.800 -0.052 0.000 2.568 1246 G HA2 0.453 4.409 3.960 -0.008 0.000 0.293 1246 G HA3 0.453 4.409 3.960 -0.008 0.000 0.293 1246 G C 1.074 175.967 174.900 -0.012 0.000 1.347 1246 G CA -0.687 44.412 45.100 -0.001 0.000 1.039 1246 G HN 0.832 nan 8.290 nan 0.000 0.523 1247 I N -2.435 118.129 120.570 -0.010 0.000 2.676 1247 I HA 0.027 4.192 4.170 -0.008 0.000 0.259 1247 I C 1.256 177.320 176.117 -0.088 0.000 1.194 1247 I CA 0.817 62.095 61.300 -0.035 0.000 1.473 1247 I CB -0.253 37.732 38.000 -0.025 0.000 1.096 1247 I HN 0.145 nan 8.210 nan 0.000 0.443 1248 V N -0.425 119.408 119.914 -0.134 0.000 2.996 1248 V HA 0.275 4.391 4.120 -0.008 0.000 0.235 1248 V C 0.375 176.182 176.094 -0.478 0.000 1.205 1248 V CA 0.248 62.327 62.300 -0.367 0.000 1.225 1248 V CB -0.029 31.445 31.823 -0.581 0.000 0.995 1248 V HN 0.153 nan 8.190 nan 0.000 0.484 1249 F N 0.857 120.788 119.950 -0.031 0.000 2.458 1249 F HA 0.633 5.155 4.527 -0.008 0.000 0.330 1249 F C 0.129 175.881 175.800 -0.079 0.000 1.082 1249 F CA -0.634 57.341 58.000 -0.041 0.000 0.995 1249 F CB 1.327 40.306 39.000 -0.034 0.000 1.170 1249 F HN -0.037 nan 8.300 nan 0.000 0.478 1250 E N 3.468 123.735 120.200 0.111 0.000 2.224 1250 E HA 0.489 4.835 4.350 -0.008 0.000 0.265 1250 E C -1.400 175.177 176.600 -0.039 0.000 0.878 1250 E CA -0.410 55.965 56.400 -0.043 0.000 0.759 1250 E CB 1.745 31.443 29.700 -0.003 0.000 1.164 1250 E HN 0.892 nan 8.360 nan 0.000 0.414 1251 E N 2.793 122.872 120.200 -0.201 0.000 2.427 1251 E HA 0.183 4.528 4.350 -0.008 0.000 0.279 1251 E C -1.582 174.901 176.600 -0.196 0.000 1.120 1251 E CA -0.839 55.502 56.400 -0.099 0.000 0.869 1251 E CB 0.495 30.208 29.700 0.022 0.000 1.393 1251 E HN 0.337 nan 8.360 nan 0.000 0.443 1252 Y N 0.447 120.824 120.300 0.129 0.000 2.360 1252 Y HA 0.546 5.092 4.550 -0.007 0.000 0.337 1252 Y C 0.084 176.053 175.900 0.115 0.000 1.039 1252 Y CA -0.425 57.774 58.100 0.165 0.000 1.109 1252 Y CB 1.984 40.536 38.460 0.154 0.000 1.201 1252 Y HN 0.227 nan 8.280 nan 0.000 0.458 1253 K N 2.128 122.728 120.400 0.333 0.000 2.468 1253 K HA 0.316 4.632 4.320 -0.008 0.000 0.252 1253 K C -1.784 175.008 176.600 0.320 0.000 0.932 1253 K CA -1.028 55.389 56.287 0.217 0.000 0.794 1253 K CB 2.119 34.714 32.500 0.160 0.000 1.241 1253 K HN 0.562 nan 8.250 nan 0.000 0.428 1254 D N 1.134 121.599 120.400 0.108 0.000 2.225 1254 D HA 0.347 4.983 4.640 -0.008 0.000 0.249 1254 D C -0.937 175.405 176.300 0.070 0.000 1.052 1254 D CA 0.234 54.353 54.000 0.198 0.000 0.909 1254 D CB 0.728 41.574 40.800 0.078 0.000 1.186 1254 D HN 0.239 nan 8.370 nan 0.000 0.431 1255 Y N 0.206 120.717 120.300 0.351 0.000 2.524 1255 Y HA 0.281 4.826 4.550 -0.008 0.000 0.347 1255 Y C -0.256 175.900 175.900 0.427 0.000 1.005 1255 Y CA -1.256 57.027 58.100 0.305 0.000 1.025 1255 Y CB 1.230 39.786 38.460 0.160 0.000 1.275 1255 Y HN 0.197 nan 8.280 nan 0.000 0.460 1256 F N 3.453 123.611 119.950 0.347 0.000 2.538 1256 F HA 0.319 4.841 4.527 -0.008 0.000 0.382 1256 F C -0.278 175.718 175.800 0.328 0.000 1.069 1256 F CA -0.448 57.738 58.000 0.310 0.000 1.138 1256 F CB -0.685 38.436 39.000 0.202 0.000 1.068 1256 F HN 0.461 nan 8.300 nan 0.000 0.556 1257 C N 6.331 125.805 119.300 0.290 0.000 3.161 1257 C HA 0.658 5.114 4.460 -0.008 0.000 0.330 1257 C C -0.078 174.973 174.990 0.101 0.000 1.396 1257 C CA -1.240 57.879 59.018 0.168 0.000 1.536 1257 C CB 1.848 29.791 27.740 0.338 0.000 1.978 1257 C HN 0.772 nan 8.230 nan 0.000 0.454 1258 I N 1.398 122.005 120.570 0.062 0.000 2.545 1258 I HA 0.652 4.818 4.170 -0.008 0.000 0.292 1258 I C -0.690 175.513 176.117 0.144 0.000 1.040 1258 I CA 0.443 61.809 61.300 0.111 0.000 1.068 1258 I CB 1.571 39.534 38.000 -0.061 0.000 1.251 1258 I HN 0.699 nan 8.210 nan 0.000 0.424 1259 S N 5.360 121.247 115.700 0.312 0.000 2.546 1259 S HA 0.421 4.886 4.470 -0.008 0.000 0.272 1259 S C 0.147 174.924 174.600 0.295 0.000 1.140 1259 S CA -0.744 57.601 58.200 0.241 0.000 0.920 1259 S CB 1.965 65.206 63.200 0.067 0.000 1.083 1259 S HN 0.795 nan 8.310 nan 0.000 0.476 1260 K N 2.152 122.703 120.400 0.253 0.000 2.366 1260 K HA -0.009 4.306 4.320 -0.008 0.000 0.198 1260 K C 1.278 177.968 176.600 0.150 0.000 1.044 1260 K CA 0.720 57.130 56.287 0.206 0.000 0.973 1260 K CB -0.064 32.536 32.500 0.166 0.000 0.767 1260 K HN 0.749 nan 8.250 nan 0.000 0.475 1261 W N 1.027 122.280 121.300 -0.078 0.000 2.342 1261 W HA -0.248 4.408 4.660 -0.007 0.000 0.297 1261 W C 1.221 177.671 176.519 -0.116 0.000 1.213 1261 W CA 1.551 58.805 57.345 -0.152 0.000 1.251 1261 W CB -0.257 29.035 29.460 -0.281 0.000 1.136 1261 W HN 0.043 nan 8.180 nan 0.000 0.526 1262 Y N 0.290 120.629 120.300 0.064 0.000 2.333 1262 Y HA -0.203 4.343 4.550 -0.008 0.000 0.290 1262 Y C 2.370 178.121 175.900 -0.249 0.000 1.144 1262 Y CA 1.467 59.482 58.100 -0.141 0.000 1.228 1262 Y CB -1.238 37.267 38.460 0.075 0.000 0.985 1262 Y HN -0.041 nan 8.280 nan 0.000 0.542 1263 L N 0.504 121.718 121.223 -0.014 0.000 2.043 1263 L HA -0.292 4.043 4.340 -0.008 0.000 0.212 1263 L C 2.414 179.173 176.870 -0.184 0.000 1.075 1263 L CA 2.228 57.018 54.840 -0.084 0.000 0.752 1263 L CB -0.632 41.423 42.059 -0.007 0.000 0.891 1263 L HN 0.308 nan 8.230 nan 0.000 0.432 1264 K N -1.108 119.151 120.400 -0.235 0.000 2.243 1264 K HA -0.047 4.268 4.320 -0.008 0.000 0.201 1264 K C 1.671 178.091 176.600 -0.300 0.000 1.051 1264 K CA 0.517 56.662 56.287 -0.237 0.000 0.970 1264 K CB -0.064 32.303 32.500 -0.221 0.000 0.755 1264 K HN 0.134 nan 8.250 nan 0.000 0.465 1265 E N 1.669 121.603 120.200 -0.443 0.000 2.106 1265 E HA -0.117 4.229 4.350 -0.008 0.000 0.192 1265 E C 2.266 178.692 176.600 -0.290 0.000 0.984 1265 E CA 1.626 57.759 56.400 -0.445 0.000 0.806 1265 E CB -0.250 29.034 29.700 -0.693 0.000 0.750 1265 E HN 0.389 nan 8.360 nan 0.000 0.458 1266 V N -0.909 118.848 119.914 -0.263 0.000 3.078 1266 V HA -0.077 4.039 4.120 -0.008 0.000 0.265 1266 V C 1.733 177.795 176.094 -0.054 0.000 1.122 1266 V CA 1.245 63.454 62.300 -0.152 0.000 1.141 1266 V CB -0.559 30.992 31.823 -0.452 0.000 0.735 1266 V HN 0.041 nan 8.190 nan 0.000 0.498 1267 K N 0.136 120.465 120.400 -0.119 0.000 2.361 1267 K HA 0.172 4.487 4.320 -0.008 0.000 0.196 1267 K C 0.932 177.524 176.600 -0.013 0.000 1.039 1267 K CA -0.090 56.171 56.287 -0.043 0.000 1.001 1267 K CB 0.075 32.535 32.500 -0.067 0.000 0.795 1267 K HN 0.476 nan 8.250 nan 0.000 0.495 1268 R N 1.677 122.145 120.500 -0.052 0.000 2.679 1268 R HA 0.087 4.422 4.340 -0.008 0.000 0.268 1268 R C -0.134 176.170 176.300 0.007 0.000 1.044 1268 R CA 0.443 56.516 56.100 -0.044 0.000 1.105 1268 R CB 0.424 30.668 30.300 -0.094 0.000 0.989 1268 R HN -0.168 nan 8.270 nan 0.000 0.447 1269 K N 3.234 123.640 120.400 0.010 0.000 2.345 1269 K HA 0.361 4.677 4.320 -0.008 0.000 0.255 1269 K C -2.000 174.610 176.600 0.016 0.000 0.934 1269 K CA -1.713 54.595 56.287 0.035 0.000 0.801 1269 K CB 1.730 34.251 32.500 0.035 0.000 1.137 1269 K HN 0.573 nan 8.250 nan 0.000 0.424 1270 P HA 0.119 nan 4.420 nan 0.000 0.274 1270 P C -0.554 176.788 177.300 0.069 0.000 1.237 1270 P CA -0.422 62.713 63.100 0.058 0.000 0.793 1270 P CB 0.421 32.149 31.700 0.048 0.000 0.977 1271 Y N 2.008 122.311 120.300 0.006 0.000 2.717 1271 Y HA -0.056 4.490 4.550 -0.008 0.000 0.330 1271 Y C 0.894 176.796 175.900 0.004 0.000 1.217 1271 Y CA 0.138 58.242 58.100 0.006 0.000 1.506 1271 Y CB -0.024 38.450 38.460 0.023 0.000 1.268 1271 Y HN 0.322 nan 8.280 nan 0.000 0.561 1272 N N 6.744 125.023 118.700 -0.702 0.000 2.448 1272 N HA 0.043 4.778 4.740 -0.008 0.000 0.250 1272 N C 0.499 175.721 175.510 -0.481 0.000 1.136 1272 N CA 0.257 53.030 53.050 -0.461 0.000 0.953 1272 N CB 0.102 38.373 38.487 -0.361 0.000 1.251 1272 N HN 0.901 nan 8.380 nan 0.000 0.502 1273 L N 2.112 123.243 121.223 -0.153 0.000 2.275 1273 L HA -0.063 4.272 4.340 -0.008 0.000 0.215 1273 L C 1.695 178.539 176.870 -0.044 0.000 1.119 1273 L CA 0.751 55.590 54.840 -0.001 0.000 0.790 1273 L CB -0.160 41.935 42.059 0.059 0.000 0.919 1273 L HN 0.320 nan 8.230 nan 0.000 0.443 1274 K N 0.523 120.878 120.400 -0.075 0.000 2.487 1274 K HA 0.169 4.484 4.320 -0.008 0.000 0.192 1274 K C 0.629 177.188 176.600 -0.068 0.000 1.027 1274 K CA 0.088 56.337 56.287 -0.063 0.000 1.054 1274 K CB -0.157 32.320 32.500 -0.040 0.000 0.824 1274 K HN 0.288 nan 8.250 nan 0.000 0.510 1275 L N 0.591 121.760 121.223 -0.089 0.000 2.525 1275 L HA -0.018 4.317 4.340 -0.008 0.000 0.278 1275 L C 1.689 178.504 176.870 -0.093 0.000 1.218 1275 L CA -0.035 54.793 54.840 -0.020 0.000 0.878 1275 L CB 0.478 42.495 42.059 -0.070 0.000 1.127 1275 L HN 0.191 nan 8.230 nan 0.000 0.492 1276 G N 1.466 110.286 108.800 0.032 0.000 2.708 1276 G HA2 -0.152 3.804 3.960 -0.008 0.000 0.210 1276 G HA3 -0.152 3.804 3.960 -0.008 0.000 0.210 1276 G C 1.078 175.686 174.900 -0.485 0.000 1.141 1276 G CA 0.550 45.566 45.100 -0.141 0.000 0.788 1276 G HN 0.896 nan 8.290 nan 0.000 0.531 1277 C N -1.428 117.483 119.300 -0.649 0.000 2.855 1277 C HA 0.390 4.845 4.460 -0.008 0.000 0.279 1277 C C 0.507 175.331 174.990 -0.277 0.000 1.270 1277 C CA -1.773 56.868 59.018 -0.628 0.000 1.702 1277 C CB -1.647 25.539 27.740 -0.925 0.000 1.949 1277 C HN 0.215 nan 8.230 nan 0.000 0.618 1278 N N 0.739 119.220 118.700 -0.365 0.000 2.439 1278 N HA 0.451 5.187 4.740 -0.008 0.000 0.249 1278 N C -1.096 174.191 175.510 -0.373 0.000 1.003 1278 N CA -0.184 52.764 53.050 -0.170 0.000 0.942 1278 N CB 0.621 39.077 38.487 -0.051 0.000 1.115 1278 N HN 0.557 nan 8.380 nan 0.000 0.505 1279 W N 0.954 122.221 121.300 -0.056 0.000 2.736 1279 W HA 0.500 5.155 4.660 -0.008 0.000 0.355 1279 W C -0.076 176.383 176.519 -0.099 0.000 1.102 1279 W CA -0.586 56.668 57.345 -0.152 0.000 1.164 1279 W CB 1.212 30.496 29.460 -0.293 0.000 1.422 1279 W HN 0.137 nan 8.180 nan 0.000 0.572 1280 Q N 0.942 120.827 119.800 0.142 0.000 2.345 1280 Q HA 0.450 4.785 4.340 -0.008 0.000 0.275 1280 Q C -1.674 174.224 176.000 -0.170 0.000 1.063 1280 Q CA -1.024 54.855 55.803 0.126 0.000 0.819 1280 Q CB 2.671 31.657 28.738 0.412 0.000 1.356 1280 Q HN 0.296 nan 8.270 nan 0.000 0.418 1281 F N 2.210 122.116 119.950 -0.073 0.000 2.411 1281 F HA 0.479 5.001 4.527 -0.008 0.000 0.352 1281 F C 0.008 175.671 175.800 -0.227 0.000 1.123 1281 F CA -0.574 57.263 58.000 -0.271 0.000 1.044 1281 F CB 0.896 39.389 39.000 -0.844 0.000 1.135 1281 F HN 0.275 nan 8.300 nan 0.000 0.461 1282 I N 6.335 126.967 120.570 0.105 0.000 2.330 1282 I HA 0.322 4.488 4.170 -0.008 0.000 0.286 1282 I C -2.424 173.991 176.117 0.497 0.000 1.025 1282 I CA -1.950 59.380 61.300 0.049 0.000 1.197 1282 I CB 1.165 38.984 38.000 -0.301 0.000 1.358 1282 I HN 0.278 nan 8.210 nan 0.000 0.467 1283 P HA 0.260 nan 4.420 nan 0.000 0.287 1283 P C -0.987 176.660 177.300 0.578 0.000 1.279 1283 P CA -0.863 62.566 63.100 0.548 0.000 0.867 1283 P CB 1.215 33.194 31.700 0.466 0.000 1.127 1284 K N 1.402 121.950 120.400 0.246 0.000 2.485 1284 K HA 0.121 4.436 4.320 -0.008 0.000 0.277 1284 K C -0.212 176.514 176.600 0.211 0.000 0.990 1284 K CA 0.839 57.128 56.287 0.004 0.000 0.994 1284 K CB -0.315 32.074 32.500 -0.185 0.000 0.906 1284 K HN 0.582 nan 8.250 nan 0.000 0.488 1285 D N 0.038 120.599 120.400 0.268 0.000 2.990 1285 D HA 0.019 4.654 4.640 -0.008 0.000 0.227 1285 D C 0.840 177.205 176.300 0.109 0.000 1.249 1285 D CA -0.441 53.612 54.000 0.088 0.000 0.891 1285 D CB 1.052 41.678 40.800 -0.290 0.000 1.647 1285 D HN 0.509 nan 8.370 nan 0.000 0.530 1286 E N 1.828 122.084 120.200 0.093 0.000 2.267 1286 E HA -0.142 4.203 4.350 -0.008 0.000 0.197 1286 E C 1.403 178.129 176.600 0.210 0.000 0.998 1286 E CA 1.075 57.567 56.400 0.155 0.000 0.830 1286 E CB -0.127 29.662 29.700 0.149 0.000 0.751 1286 E HN 0.444 nan 8.360 nan 0.000 0.491 1287 G N 0.231 109.132 108.800 0.168 0.000 2.848 1287 G HA2 -0.126 3.829 3.960 -0.008 0.000 0.208 1287 G HA3 -0.126 3.829 3.960 -0.008 0.000 0.208 1287 G C -0.452 174.416 174.900 -0.052 0.000 1.152 1287 G CA -0.247 44.901 45.100 0.079 0.000 0.789 1287 G HN 0.319 nan 8.290 nan 0.000 0.531 1288 W N 2.110 123.301 121.300 -0.181 0.000 2.802 1288 W HA 0.453 5.108 4.660 -0.008 0.000 0.331 1288 W C -0.984 175.527 176.519 -0.012 0.000 1.021 1288 W CA -0.688 56.551 57.345 -0.178 0.000 1.259 1288 W CB 1.438 30.786 29.460 -0.186 0.000 1.323 1288 W HN 0.030 nan 8.180 nan 0.000 0.432 1289 T N 2.028 116.320 114.554 -0.436 0.000 2.863 1289 T HA 0.746 5.092 4.350 -0.008 0.000 0.285 1289 T C -0.471 174.001 174.700 -0.381 0.000 1.009 1289 T CA -0.495 61.499 62.100 -0.175 0.000 0.989 1289 T CB 2.909 71.717 68.868 -0.099 0.000 1.004 1289 T HN 0.552 nan 8.240 nan 0.000 0.455 1290 E N 0.000 120.166 120.200 -0.056 0.000 2.725 1290 E HA 0.000 4.345 4.350 -0.008 0.000 0.291 1290 E CA 0.000 56.423 56.400 0.038 0.000 0.976 1290 E CB 0.000 29.774 29.700 0.123 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440