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 1g9a_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 0.004 0.000 1.155 1 P CA 0.000 63.103 63.100 0.005 0.000 0.800 1 P CB 0.000 31.701 31.700 0.001 0.000 0.726 2 V N 0.578 120.498 119.914 0.010 0.000 2.398 2 V HA 0.498 4.616 4.120 -0.004 0.000 0.286 2 V C 0.184 176.284 176.094 0.009 0.000 1.026 2 V CA -0.073 62.235 62.300 0.014 0.000 0.868 2 V CB 1.702 33.544 31.823 0.032 0.000 0.982 2 V HN 0.715 nan 8.190 nan 0.000 0.443 3 T N 6.435 120.986 114.554 -0.005 0.000 2.749 3 T HA 0.515 4.863 4.350 -0.004 0.000 0.287 3 T C -0.184 174.496 174.700 -0.034 0.000 0.970 3 T CA -0.264 61.824 62.100 -0.020 0.000 0.980 3 T CB 0.619 69.471 68.868 -0.028 0.000 0.924 3 T HN 0.281 nan 8.240 nan 0.000 0.456 4 I N 4.423 124.967 120.570 -0.044 0.000 2.304 4 I HA 0.261 4.429 4.170 -0.004 0.000 0.291 4 I C 0.554 176.575 176.117 -0.160 0.000 1.018 4 I CA -0.874 60.372 61.300 -0.089 0.000 1.260 4 I CB 0.449 38.417 38.000 -0.053 0.000 1.390 4 I HN 0.520 nan 8.210 nan 0.000 0.475 5 N N 5.938 124.515 118.700 -0.205 0.000 2.444 5 N HA 0.202 4.940 4.740 -0.004 0.000 0.255 5 N C -0.143 175.003 175.510 -0.607 0.000 1.255 5 N CA -0.034 52.858 53.050 -0.264 0.000 0.933 5 N CB 0.879 39.316 38.487 -0.083 0.000 1.143 5 N HN 0.480 nan 8.380 nan 0.000 0.453 6 N N 0.529 118.902 118.700 -0.545 0.000 2.319 6 N HA 0.594 5.331 4.740 -0.004 0.000 0.305 6 N C -0.933 174.247 175.510 -0.552 0.000 1.103 6 N CA -0.220 52.450 53.050 -0.632 0.000 0.815 6 N CB 1.613 39.942 38.487 -0.263 0.000 1.288 6 N HN 0.391 nan 8.380 nan 0.000 0.493 7 F N -1.618 118.343 119.950 0.018 0.000 2.829 7 F HA 0.413 4.938 4.527 -0.004 0.000 0.319 7 F C -1.305 174.512 175.800 0.029 0.000 1.153 7 F CA -1.274 56.761 58.000 0.059 0.000 0.912 7 F CB 0.567 39.661 39.000 0.158 0.000 1.292 7 F HN 0.125 nan 8.300 nan 0.000 0.447 8 N N 0.343 119.256 118.700 0.354 0.000 2.384 8 N HA 0.198 4.936 4.740 -0.004 0.000 0.301 8 N C 0.051 175.704 175.510 0.239 0.000 1.133 8 N CA -0.632 52.557 53.050 0.232 0.000 0.853 8 N CB 1.677 40.264 38.487 0.167 0.000 1.241 8 N HN 0.863 nan 8.380 nan 0.000 0.502 9 Y N 1.766 122.101 120.300 0.059 0.000 2.207 9 Y HA -0.097 4.451 4.550 -0.004 0.000 0.287 9 Y C 1.241 177.298 175.900 0.262 0.000 1.156 9 Y CA 1.761 59.919 58.100 0.098 0.000 1.182 9 Y CB 0.031 38.516 38.460 0.041 0.000 0.979 9 Y HN 0.485 nan 8.280 nan 0.000 0.521 10 N N 0.776 119.562 118.700 0.143 0.000 2.449 10 N HA -0.043 4.694 4.740 -0.004 0.000 0.191 10 N C -0.567 174.966 175.510 0.038 0.000 1.161 10 N CA 0.401 53.485 53.050 0.056 0.000 0.863 10 N CB -0.354 38.197 38.487 0.106 0.000 0.980 10 N HN 0.342 nan 8.380 nan 0.000 0.458 11 D N 1.610 122.063 120.400 0.087 0.000 2.399 11 D HA 0.143 4.781 4.640 -0.004 0.000 0.241 11 D C -2.090 174.207 176.300 -0.004 0.000 1.133 11 D CA -1.024 53.022 54.000 0.076 0.000 0.890 11 D CB 0.439 41.332 40.800 0.154 0.000 1.201 11 D HN 0.033 nan 8.370 nan 0.000 0.432 12 P HA 0.112 nan 4.420 nan 0.000 0.268 12 P C -0.044 177.205 177.300 -0.084 0.000 1.205 12 P CA -0.101 62.970 63.100 -0.048 0.000 0.771 12 P CB 0.543 32.228 31.700 -0.024 0.000 0.858 13 I N 2.941 123.441 120.570 -0.117 0.000 2.618 13 I HA -0.025 4.142 4.170 -0.004 0.000 0.284 13 I C 0.924 176.988 176.117 -0.088 0.000 1.146 13 I CA 0.755 61.970 61.300 -0.141 0.000 1.425 13 I CB 0.484 38.395 38.000 -0.148 0.000 1.383 13 I HN 0.496 nan 8.210 nan 0.000 0.562 14 D N 3.280 123.636 120.400 -0.073 0.000 2.500 14 D HA 0.026 4.663 4.640 -0.004 0.000 0.217 14 D C 0.432 176.714 176.300 -0.029 0.000 1.159 14 D CA -0.277 53.700 54.000 -0.038 0.000 0.828 14 D CB 0.099 40.891 40.800 -0.014 0.000 1.039 14 D HN 0.485 nan 8.370 nan 0.000 0.512 15 N N -0.054 118.620 118.700 -0.042 0.000 2.863 15 N HA -0.234 4.504 4.740 -0.004 0.000 0.245 15 N C 0.205 175.726 175.510 0.019 0.000 1.001 15 N CA 1.196 54.228 53.050 -0.030 0.000 0.901 15 N CB -1.520 36.945 38.487 -0.037 0.000 1.124 15 N HN 0.590 nan 8.380 nan 0.000 0.582 16 N N -0.173 118.554 118.700 0.045 0.000 3.039 16 N HA 0.140 4.878 4.740 -0.004 0.000 0.231 16 N C 0.453 176.057 175.510 0.157 0.000 1.053 16 N CA -0.016 53.086 53.050 0.086 0.000 1.191 16 N CB 0.225 38.742 38.487 0.050 0.000 1.597 16 N HN 0.015 nan 8.380 nan 0.000 0.585 17 N N 0.354 119.109 118.700 0.090 0.000 2.325 17 N HA 0.276 5.014 4.740 -0.004 0.000 0.182 17 N C -0.418 175.119 175.510 0.044 0.000 1.088 17 N CA 0.328 53.410 53.050 0.054 0.000 0.879 17 N CB 1.382 39.895 38.487 0.043 0.000 0.983 17 N HN 0.324 nan 8.380 nan 0.000 0.471 18 I N 2.222 122.786 120.570 -0.010 0.000 2.439 18 I HA 0.381 4.549 4.170 -0.004 0.000 0.283 18 I C -0.340 175.674 176.117 -0.171 0.000 1.023 18 I CA -0.704 60.461 61.300 -0.225 0.000 1.100 18 I CB 1.452 39.255 38.000 -0.328 0.000 1.238 18 I HN -0.130 nan 8.210 nan 0.000 0.445 19 I N 2.103 122.561 120.570 -0.186 0.000 3.457 19 I HA 0.640 4.808 4.170 -0.004 0.000 0.307 19 I C -1.154 174.840 176.117 -0.205 0.000 1.138 19 I CA -1.133 60.060 61.300 -0.179 0.000 0.974 19 I CB 2.356 40.247 38.000 -0.181 0.000 1.324 19 I HN 0.240 nan 8.210 nan 0.000 0.485 20 M N 3.303 122.818 119.600 -0.140 0.000 2.023 20 M HA 0.450 4.928 4.480 -0.004 0.000 0.325 20 M C -0.672 175.676 176.300 0.081 0.000 0.963 20 M CA -0.359 54.915 55.300 -0.044 0.000 0.928 20 M CB 1.011 33.544 32.600 -0.113 0.000 1.429 20 M HN 0.716 nan 8.290 nan 0.000 0.404 21 M N 2.137 121.789 119.600 0.086 0.000 2.359 21 M HA 0.313 4.791 4.480 -0.004 0.000 0.322 21 M C -0.249 176.149 176.300 0.164 0.000 1.166 21 M CA -0.104 55.224 55.300 0.047 0.000 1.067 21 M CB 1.386 33.868 32.600 -0.197 0.000 1.523 21 M HN 0.659 nan 8.290 nan 0.000 0.467 22 E N 4.503 124.698 120.200 -0.009 0.000 2.256 22 E HA 0.414 4.762 4.350 -0.004 0.000 0.243 22 E C -2.459 174.074 176.600 -0.111 0.000 0.925 22 E CA -2.176 54.076 56.400 -0.247 0.000 0.748 22 E CB 0.845 30.312 29.700 -0.389 0.000 1.206 22 E HN 0.339 nan 8.360 nan 0.000 0.428 23 P HA -0.037 nan 4.420 nan 0.000 0.265 23 P C -2.220 174.951 177.300 -0.216 0.000 1.187 23 P CA -0.828 62.182 63.100 -0.150 0.000 0.766 23 P CB 0.418 32.013 31.700 -0.174 0.000 0.820 24 P HA -0.181 nan 4.420 nan 0.000 0.216 24 P C 0.897 178.099 177.300 -0.163 0.000 1.154 24 P CA 1.644 64.587 63.100 -0.261 0.000 0.865 24 P CB -0.280 31.159 31.700 -0.436 0.000 0.789 25 F N -1.727 117.971 119.950 -0.420 0.000 2.811 25 F HA 0.124 4.649 4.527 -0.004 0.000 0.301 25 F C 2.099 177.803 175.800 -0.161 0.000 1.151 25 F CA -0.187 57.587 58.000 -0.376 0.000 1.412 25 F CB -0.177 38.444 39.000 -0.633 0.000 1.113 25 F HN -0.071 nan 8.300 nan 0.000 0.579 26 A N 0.487 123.330 122.820 0.037 0.000 2.119 26 A HA -0.026 4.291 4.320 -0.004 0.000 0.216 26 A C 1.398 178.999 177.584 0.028 0.000 1.152 26 A CA 0.223 52.346 52.037 0.143 0.000 0.708 26 A CB -0.364 18.692 19.000 0.094 0.000 0.805 26 A HN 0.446 nan 8.150 nan 0.000 0.460 27 R N -2.676 117.843 120.500 0.031 0.000 3.651 27 R HA -0.214 4.124 4.340 -0.004 0.000 0.292 27 R C 1.012 177.120 176.300 -0.319 0.000 1.161 27 R CA 0.450 56.547 56.100 -0.004 0.000 0.787 27 R CB -2.469 27.833 30.300 0.004 0.000 1.249 27 R HN 1.553 nan 8.270 nan 0.000 0.476 28 G N -1.094 107.351 108.800 -0.591 0.000 2.189 28 G HA2 -0.415 3.543 3.960 -0.004 0.000 0.267 28 G HA3 -0.415 3.543 3.960 -0.004 0.000 0.267 28 G C 0.286 174.786 174.900 -0.667 0.000 0.975 28 G CA 1.199 45.472 45.100 -1.378 0.000 0.644 28 G HN 0.808 nan 8.290 nan 0.000 0.537 29 T N -2.889 111.448 114.554 -0.360 0.000 2.841 29 T HA 0.915 5.262 4.350 -0.004 0.000 0.276 29 T C 1.169 175.794 174.700 -0.125 0.000 1.003 29 T CA 0.499 62.478 62.100 -0.202 0.000 0.995 29 T CB 1.993 70.782 68.868 -0.131 0.000 1.260 29 T HN 2.223 nan 8.240 nan 0.000 0.581 30 G N 0.901 109.664 108.800 -0.063 0.000 2.750 30 G HA2 -0.005 3.952 3.960 -0.004 0.000 0.228 30 G HA3 -0.005 3.952 3.960 -0.004 0.000 0.228 30 G C -0.401 174.489 174.900 -0.017 0.000 1.367 30 G CA 0.141 45.228 45.100 -0.022 0.000 0.871 30 G HN 0.956 nan 8.290 nan 0.000 0.560 31 R N -1.047 119.456 120.500 0.004 0.000 2.546 31 R HA 0.690 5.028 4.340 -0.004 0.000 0.266 31 R C -0.174 176.154 176.300 0.047 0.000 1.086 31 R CA -0.604 55.525 56.100 0.049 0.000 1.160 31 R CB -0.092 30.184 30.300 -0.041 0.000 1.138 31 R HN 0.534 nan 8.270 nan 0.000 0.567 32 Y N 0.264 120.563 120.300 -0.001 0.000 2.432 32 Y HA 0.368 4.916 4.550 -0.004 0.000 0.322 32 Y C -0.539 175.389 175.900 0.047 0.000 1.246 32 Y CA -0.052 58.114 58.100 0.110 0.000 1.268 32 Y CB 0.862 39.343 38.460 0.035 0.000 1.276 32 Y HN 0.380 nan 8.280 nan 0.000 0.499 33 Y N 0.023 120.432 120.300 0.182 0.000 2.409 33 Y HA 0.329 4.876 4.550 -0.004 0.000 0.343 33 Y C -0.037 175.905 175.900 0.070 0.000 0.973 33 Y CA -1.790 56.397 58.100 0.145 0.000 1.064 33 Y CB 1.522 40.099 38.460 0.196 0.000 1.207 33 Y HN 0.355 nan 8.280 nan 0.000 0.452 34 K N 2.398 122.907 120.400 0.182 0.000 2.412 34 K HA 0.573 4.891 4.320 -0.004 0.000 0.284 34 K C -0.702 175.904 176.600 0.010 0.000 1.046 34 K CA 0.041 56.318 56.287 -0.016 0.000 0.999 34 K CB 0.107 32.563 32.500 -0.072 0.000 0.941 34 K HN 0.815 nan 8.250 nan 0.000 0.474 35 A N 4.473 127.179 122.820 -0.189 0.000 2.374 35 A HA 0.703 5.021 4.320 -0.004 0.000 0.317 35 A C -1.461 176.037 177.584 -0.143 0.000 1.094 35 A CA -0.767 51.273 52.037 0.004 0.000 0.765 35 A CB 0.629 19.620 19.000 -0.014 0.000 1.268 35 A HN 0.587 nan 8.150 nan 0.000 0.438 36 F N 0.883 120.911 119.950 0.130 0.000 2.493 36 F HA 0.442 4.967 4.527 -0.004 0.000 0.329 36 F C 0.492 176.160 175.800 -0.220 0.000 1.126 36 F CA -0.774 57.072 58.000 -0.256 0.000 0.937 36 F CB 2.124 40.521 39.000 -1.004 0.000 1.146 36 F HN 0.563 nan 8.300 nan 0.000 0.442 37 K N 4.324 124.493 120.400 -0.386 0.000 2.278 37 K HA 0.213 4.531 4.320 -0.004 0.000 0.289 37 K C 1.017 177.523 176.600 -0.156 0.000 1.080 37 K CA 0.046 55.831 56.287 -0.836 0.000 0.934 37 K CB 0.270 32.102 32.500 -1.112 0.000 1.093 37 K HN 0.929 nan 8.250 nan 0.000 0.459 38 I N 3.023 123.508 120.570 -0.141 0.000 2.439 38 I HA -0.145 4.022 4.170 -0.004 0.000 0.251 38 I C 0.472 176.460 176.117 -0.216 0.000 1.139 38 I CA 1.123 62.361 61.300 -0.103 0.000 1.438 38 I CB 0.337 38.087 38.000 -0.417 0.000 1.085 38 I HN 0.787 nan 8.210 nan 0.000 0.427 39 T N -3.265 111.141 114.554 -0.247 0.000 2.769 39 T HA 0.209 4.557 4.350 -0.004 0.000 0.306 39 T C -0.984 173.595 174.700 -0.202 0.000 1.400 39 T CA -0.985 61.018 62.100 -0.162 0.000 1.007 39 T CB 1.173 70.003 68.868 -0.064 0.000 1.392 39 T HN -0.121 nan 8.240 nan 0.000 0.500 40 D N 1.729 122.053 120.400 -0.127 0.000 2.525 40 D HA 0.138 4.776 4.640 -0.004 0.000 0.235 40 D C 0.935 177.179 176.300 -0.093 0.000 1.137 40 D CA 0.577 54.511 54.000 -0.110 0.000 0.868 40 D CB 0.289 41.056 40.800 -0.054 0.000 1.180 40 D HN 0.622 nan 8.370 nan 0.000 0.465 41 R N 0.526 120.985 120.500 -0.068 0.000 4.023 41 R HA -0.208 4.130 4.340 -0.004 0.000 0.368 41 R C -0.274 176.041 176.300 0.026 0.000 1.187 41 R CA 0.731 56.859 56.100 0.047 0.000 1.089 41 R CB -2.088 28.253 30.300 0.069 0.000 1.574 41 R HN 0.562 nan 8.270 nan 0.000 0.564 42 I N -0.019 120.441 120.570 -0.183 0.000 2.447 42 I HA 0.319 4.487 4.170 -0.004 0.000 0.287 42 I C -0.292 175.626 176.117 -0.331 0.000 1.023 42 I CA -0.671 60.566 61.300 -0.104 0.000 1.083 42 I CB 1.346 39.339 38.000 -0.013 0.000 1.245 42 I HN -0.122 nan 8.210 nan 0.000 0.434 43 W N 6.675 127.982 121.300 0.011 0.000 2.666 43 W HA 0.593 5.251 4.660 -0.004 0.000 0.334 43 W C -0.589 175.930 176.519 -0.000 0.000 1.051 43 W CA -0.598 56.745 57.345 -0.003 0.000 1.224 43 W CB 1.422 30.862 29.460 -0.033 0.000 1.405 43 W HN 0.063 nan 8.180 nan 0.000 0.513 44 I N 4.449 125.188 120.570 0.282 0.000 2.378 44 I HA 0.378 4.546 4.170 -0.004 0.000 0.291 44 I C -0.438 175.865 176.117 0.310 0.000 0.992 44 I CA -1.275 60.180 61.300 0.257 0.000 1.154 44 I CB 1.114 39.260 38.000 0.242 0.000 1.315 44 I HN 0.380 nan 8.210 nan 0.000 0.448 45 I N 8.290 128.953 120.570 0.155 0.000 2.437 45 I HA 0.220 4.388 4.170 -0.004 0.000 0.279 45 I C -2.008 174.208 176.117 0.164 0.000 1.028 45 I CA -1.551 59.830 61.300 0.135 0.000 1.142 45 I CB 2.167 40.015 38.000 -0.253 0.000 1.266 45 I HN 0.267 nan 8.210 nan 0.000 0.461 46 P HA 0.168 nan 4.420 nan 0.000 0.231 46 P C -0.612 176.566 177.300 -0.203 0.000 1.756 46 P CA 0.326 63.325 63.100 -0.168 0.000 0.990 46 P CB 0.030 31.733 31.700 0.004 0.000 1.973 47 E N 0.820 120.988 120.200 -0.053 0.000 2.413 47 E HA 0.362 4.710 4.350 -0.004 0.000 0.277 47 E C -0.225 176.465 176.600 0.150 0.000 0.958 47 E CA -1.162 55.276 56.400 0.064 0.000 0.779 47 E CB 1.681 31.559 29.700 0.297 0.000 1.278 47 E HN 0.088 nan 8.360 nan 0.000 0.456 48 R N 1.017 121.579 120.500 0.104 0.000 2.623 48 R HA 0.045 4.383 4.340 -0.004 0.000 0.271 48 R C -0.499 175.945 176.300 0.239 0.000 1.043 48 R CA 0.109 56.314 56.100 0.175 0.000 1.083 48 R CB -0.164 30.167 30.300 0.051 0.000 0.974 48 R HN 0.526 nan 8.270 nan 0.000 0.436 49 Y N 1.742 122.140 120.300 0.163 0.000 2.486 49 Y HA 0.012 4.560 4.550 -0.003 0.000 0.348 49 Y C 1.103 177.073 175.900 0.116 0.000 1.000 49 Y CA 0.353 58.487 58.100 0.057 0.000 1.253 49 Y CB 0.694 39.208 38.460 0.090 0.000 1.140 49 Y HN 0.676 nan 8.280 nan 0.000 0.526 50 T N 1.644 115.992 114.554 -0.343 0.000 3.010 50 T HA 0.220 4.568 4.350 -0.004 0.000 0.257 50 T C 0.021 174.620 174.700 -0.169 0.000 1.020 50 T CA -0.291 61.759 62.100 -0.082 0.000 0.938 50 T CB -0.551 68.195 68.868 -0.204 0.000 1.049 50 T HN 0.329 nan 8.240 nan 0.000 0.522 51 F N 2.873 122.679 119.950 -0.241 0.000 2.571 51 F HA 0.442 4.967 4.527 -0.004 0.000 0.390 51 F C 1.806 177.638 175.800 0.053 0.000 1.043 51 F CA 0.945 58.859 58.000 -0.144 0.000 1.164 51 F CB -0.255 38.580 39.000 -0.276 0.000 1.049 51 F HN 0.358 nan 8.300 nan 0.000 0.552 52 G N 2.129 110.990 108.800 0.102 0.000 2.176 52 G HA2 -0.311 3.647 3.960 -0.004 0.000 0.253 52 G HA3 -0.311 3.647 3.960 -0.004 0.000 0.253 52 G C -0.398 174.481 174.900 -0.036 0.000 0.979 52 G CA -0.475 44.595 45.100 -0.050 0.000 0.641 52 G HN 0.588 nan 8.290 nan 0.000 0.530 53 Y N 0.515 120.946 120.300 0.218 0.000 2.409 53 Y HA 0.611 5.158 4.550 -0.004 0.000 0.339 53 Y C 0.802 176.831 175.900 0.214 0.000 1.033 53 Y CA -0.964 57.262 58.100 0.210 0.000 1.094 53 Y CB 1.323 39.839 38.460 0.093 0.000 1.210 53 Y HN -0.043 nan 8.280 nan 0.000 0.456 54 K N 3.875 124.508 120.400 0.389 0.000 2.249 54 K HA 0.160 4.478 4.320 -0.004 0.000 0.280 54 K C -1.973 174.844 176.600 0.361 0.000 1.033 54 K CA -1.496 54.959 56.287 0.280 0.000 0.946 54 K CB 0.863 33.483 32.500 0.201 0.000 1.005 54 K HN 0.342 nan 8.250 nan 0.000 0.469 55 P HA -0.273 nan 4.420 nan 0.000 0.216 55 P C 0.948 178.423 177.300 0.291 0.000 1.150 55 P CA 1.318 64.572 63.100 0.258 0.000 0.843 55 P CB 0.192 31.941 31.700 0.081 0.000 0.787 56 E N -0.663 119.649 120.200 0.187 0.000 2.347 56 E HA -0.169 4.179 4.350 -0.004 0.000 0.196 56 E C 0.836 177.514 176.600 0.130 0.000 1.008 56 E CA 1.090 57.565 56.400 0.125 0.000 0.852 56 E CB -1.016 28.720 29.700 0.059 0.000 0.783 56 E HN 0.219 nan 8.360 nan 0.000 0.505 57 D N 0.232 120.747 120.400 0.193 0.000 2.371 57 D HA -0.030 4.608 4.640 -0.004 0.000 0.221 57 D C 0.787 177.148 176.300 0.102 0.000 0.986 57 D CA 0.376 54.455 54.000 0.132 0.000 0.899 57 D CB -0.374 40.603 40.800 0.295 0.000 0.902 57 D HN 0.208 nan 8.370 nan 0.000 0.530 58 F N 0.553 120.567 119.950 0.106 0.000 2.748 58 F HA 0.056 4.581 4.527 -0.004 0.000 0.299 58 F C 0.993 176.831 175.800 0.064 0.000 1.154 58 F CA 0.234 58.298 58.000 0.108 0.000 1.446 58 F CB 0.051 39.067 39.000 0.027 0.000 1.112 58 F HN -0.204 nan 8.300 nan 0.000 0.584 59 N N 0.890 119.629 118.700 0.066 0.000 2.456 59 N HA 0.068 4.806 4.740 -0.004 0.000 0.296 59 N C -0.182 175.083 175.510 -0.408 0.000 1.102 59 N CA -0.539 52.460 53.050 -0.086 0.000 0.924 59 N CB 1.102 39.553 38.487 -0.060 0.000 1.186 59 N HN -0.144 nan 8.380 nan 0.000 0.492 60 K N 1.329 121.481 120.400 -0.414 0.000 2.451 60 K HA 0.063 4.381 4.320 -0.004 0.000 0.280 60 K C -0.045 176.313 176.600 -0.405 0.000 1.020 60 K CA 0.319 56.233 56.287 -0.622 0.000 1.008 60 K CB 0.185 32.594 32.500 -0.152 0.000 0.917 60 K HN 0.811 nan 8.250 nan 0.000 0.478 61 S N 1.149 116.579 115.700 -0.450 0.000 2.900 61 S HA 0.246 4.714 4.470 -0.004 0.000 0.320 61 S C 0.587 175.083 174.600 -0.173 0.000 1.130 61 S CA -0.125 57.923 58.200 -0.254 0.000 0.863 61 S CB 0.794 63.842 63.200 -0.254 0.000 1.295 61 S HN 0.524 nan 8.310 nan 0.000 0.596 62 S N -0.724 114.903 115.700 -0.122 0.000 2.631 62 S HA 0.421 4.888 4.470 -0.004 0.000 0.217 62 S C 0.753 175.311 174.600 -0.070 0.000 0.958 62 S CA -0.067 58.089 58.200 -0.074 0.000 0.920 62 S CB -0.910 62.258 63.200 -0.054 0.000 0.776 62 S HN 1.150 nan 8.310 nan 0.000 0.517 63 G N 1.021 109.747 108.800 -0.124 0.000 2.735 63 G HA2 0.722 4.679 3.960 -0.004 0.000 0.301 63 G HA3 0.722 4.679 3.960 -0.004 0.000 0.301 63 G C -1.011 173.811 174.900 -0.130 0.000 1.279 63 G CA -1.017 44.008 45.100 -0.126 0.000 1.019 63 G HN 0.562 nan 8.290 nan 0.000 0.497 64 I N -4.135 116.360 120.570 -0.125 0.000 2.913 64 I HA 0.587 4.755 4.170 -0.004 0.000 0.302 64 I C -0.391 175.646 176.117 -0.133 0.000 1.246 64 I CA -1.096 60.173 61.300 -0.051 0.000 1.010 64 I CB 1.579 39.629 38.000 0.083 0.000 1.259 64 I HN 0.421 nan 8.210 nan 0.000 0.434 65 F N 0.450 120.452 119.950 0.088 0.000 2.220 65 F HA 0.233 4.758 4.527 -0.004 0.000 0.290 65 F C 1.242 177.043 175.800 0.002 0.000 1.080 65 F CA 0.786 58.818 58.000 0.053 0.000 1.318 65 F CB 0.274 39.308 39.000 0.057 0.000 1.063 65 F HN 0.581 nan 8.300 nan 0.000 0.498 66 N N 0.300 119.107 118.700 0.178 0.000 2.372 66 N HA 0.183 4.921 4.740 -0.004 0.000 0.291 66 N C 0.356 175.875 175.510 0.016 0.000 1.024 66 N CA -0.218 52.872 53.050 0.067 0.000 0.873 66 N CB 1.453 39.971 38.487 0.051 0.000 1.206 66 N HN 0.075 nan 8.380 nan 0.000 0.486 67 R N 1.151 121.610 120.500 -0.068 0.000 2.280 67 R HA 0.049 4.386 4.340 -0.004 0.000 0.207 67 R C -0.135 176.217 176.300 0.088 0.000 1.043 67 R CA 0.756 56.792 56.100 -0.107 0.000 1.006 67 R CB 0.357 30.443 30.300 -0.357 0.000 0.885 67 R HN 0.512 nan 8.270 nan 0.000 0.467 68 D N 0.230 120.662 120.400 0.053 0.000 2.670 68 D HA 0.151 4.789 4.640 -0.004 0.000 0.255 68 D C -1.026 175.284 176.300 0.017 0.000 1.286 68 D CA 0.212 54.242 54.000 0.051 0.000 0.830 68 D CB 0.999 41.809 40.800 0.016 0.000 1.065 68 D HN -0.133 nan 8.370 nan 0.000 0.486 69 V N 0.665 120.603 119.914 0.040 0.000 2.888 69 V HA 0.158 4.276 4.120 -0.004 0.000 0.309 69 V C -0.184 175.942 176.094 0.053 0.000 1.114 69 V CA -1.061 61.252 62.300 0.022 0.000 0.940 69 V CB 2.505 34.326 31.823 -0.003 0.000 1.021 69 V HN 0.167 nan 8.190 nan 0.000 0.426 70 C N 4.227 123.554 119.300 0.046 0.000 2.218 70 C HA 0.383 4.841 4.460 -0.004 0.000 0.353 70 C C 0.642 175.670 174.990 0.063 0.000 1.070 70 C CA -0.503 58.556 59.018 0.069 0.000 1.497 70 C CB -1.653 26.125 27.740 0.063 0.000 1.951 70 C HN 0.905 nan 8.230 nan 0.000 0.493 71 E N 4.100 124.340 120.200 0.066 0.000 2.299 71 E HA 0.090 4.437 4.350 -0.004 0.000 0.272 71 E C -0.957 175.635 176.600 -0.013 0.000 1.043 71 E CA 0.104 56.487 56.400 -0.028 0.000 0.895 71 E CB 0.779 30.450 29.700 -0.048 0.000 1.011 71 E HN 0.733 nan 8.360 nan 0.000 0.432 72 Y N 3.868 124.018 120.300 -0.251 0.000 2.328 72 Y HA 0.250 4.798 4.550 -0.004 0.000 0.337 72 Y C -1.371 174.283 175.900 -0.410 0.000 1.008 72 Y CA -0.961 57.024 58.100 -0.192 0.000 1.129 72 Y CB 0.475 38.840 38.460 -0.159 0.000 1.185 72 Y HN 0.379 nan 8.280 nan 0.000 0.476 73 Y N 3.758 123.615 120.300 -0.740 0.000 2.446 73 Y HA 0.461 5.009 4.550 -0.003 0.000 0.338 73 Y C -0.430 174.891 175.900 -0.965 0.000 1.055 73 Y CA -0.817 56.894 58.100 -0.648 0.000 1.101 73 Y CB 1.751 40.023 38.460 -0.313 0.000 1.221 73 Y HN 0.569 nan 8.280 nan 0.000 0.460 74 D N 3.037 123.159 120.400 -0.464 0.000 2.491 74 D HA 0.121 4.759 4.640 -0.004 0.000 0.232 74 D C -2.334 173.912 176.300 -0.091 0.000 1.334 74 D CA -1.366 52.406 54.000 -0.380 0.000 0.909 74 D CB 1.163 41.683 40.800 -0.467 0.000 1.513 74 D HN 0.192 nan 8.370 nan 0.000 0.514 75 P HA -0.058 nan 4.420 nan 0.000 0.225 75 P C 0.456 177.759 177.300 0.005 0.000 1.148 75 P CA 0.680 63.809 63.100 0.049 0.000 0.779 75 P CB 0.608 32.331 31.700 0.039 0.000 0.780 76 D N -1.630 118.774 120.400 0.007 0.000 2.323 76 D HA -0.062 4.575 4.640 -0.004 0.000 0.209 76 D C 0.690 177.022 176.300 0.054 0.000 0.973 76 D CA 0.069 54.077 54.000 0.014 0.000 0.874 76 D CB -0.745 40.065 40.800 0.017 0.000 0.930 76 D HN 0.204 nan 8.370 nan 0.000 0.521 77 Y N 1.870 122.154 120.300 -0.027 0.000 2.805 77 Y HA -0.069 4.479 4.550 -0.004 0.000 0.331 77 Y C 1.211 177.103 175.900 -0.013 0.000 1.241 77 Y CA 0.213 58.320 58.100 0.012 0.000 1.546 77 Y CB 0.057 38.521 38.460 0.007 0.000 1.248 77 Y HN -0.023 nan 8.280 nan 0.000 0.559 78 L N 3.500 124.419 121.223 -0.507 0.000 4.291 78 L HA -0.396 3.942 4.340 -0.004 0.000 0.413 78 L C 0.901 177.632 176.870 -0.230 0.000 1.162 78 L CA 0.830 55.416 54.840 -0.423 0.000 0.961 78 L CB -1.437 40.361 42.059 -0.435 0.000 2.095 78 L HN 0.811 nan 8.230 nan 0.000 0.838 79 N N -0.357 118.250 118.700 -0.155 0.000 2.398 79 N HA 0.010 4.748 4.740 -0.004 0.000 0.188 79 N C 0.468 175.919 175.510 -0.100 0.000 1.122 79 N CA 0.825 53.807 53.050 -0.113 0.000 0.866 79 N CB 0.097 38.537 38.487 -0.077 0.000 0.970 79 N HN 0.569 nan 8.380 nan 0.000 0.462 80 T N -4.102 110.382 114.554 -0.118 0.000 2.916 80 T HA 0.404 4.752 4.350 -0.004 0.000 0.292 80 T C 0.463 175.081 174.700 -0.137 0.000 1.064 80 T CA -0.774 61.272 62.100 -0.090 0.000 1.011 80 T CB 1.434 70.269 68.868 -0.055 0.000 1.152 80 T HN -0.240 nan 8.240 nan 0.000 0.510 81 N N 0.502 119.151 118.700 -0.085 0.000 2.166 81 N HA -0.050 4.687 4.740 -0.004 0.000 0.186 81 N C 1.384 176.830 175.510 -0.107 0.000 1.019 81 N CA 1.385 54.374 53.050 -0.102 0.000 0.856 81 N CB -0.400 38.148 38.487 0.102 0.000 0.993 81 N HN 0.864 nan 8.380 nan 0.000 0.426 82 D N 0.207 120.582 120.400 -0.041 0.000 2.144 82 D HA -0.058 4.580 4.640 -0.004 0.000 0.200 82 D C 1.507 177.775 176.300 -0.053 0.000 0.978 82 D CA 1.097 55.086 54.000 -0.018 0.000 0.833 82 D CB 0.193 40.996 40.800 0.004 0.000 0.961 82 D HN 0.158 nan 8.370 nan 0.000 0.470 83 K N -0.067 120.275 120.400 -0.098 0.000 2.097 83 K HA -0.083 4.234 4.320 -0.004 0.000 0.205 83 K C 2.133 178.638 176.600 -0.157 0.000 1.050 83 K CA 0.848 57.062 56.287 -0.122 0.000 0.938 83 K CB 0.089 32.484 32.500 -0.175 0.000 0.718 83 K HN 0.109 nan 8.250 nan 0.000 0.442 84 K N 0.803 121.035 120.400 -0.279 0.000 2.026 84 K HA -0.142 4.176 4.320 -0.004 0.000 0.208 84 K C 2.004 178.494 176.600 -0.183 0.000 1.048 84 K CA 1.232 57.279 56.287 -0.400 0.000 0.929 84 K CB -0.215 31.671 32.500 -1.022 0.000 0.713 84 K HN 0.215 nan 8.250 nan 0.000 0.439 85 N N 1.300 119.925 118.700 -0.125 0.000 2.104 85 N HA -0.171 4.566 4.740 -0.004 0.000 0.190 85 N C 1.852 177.396 175.510 0.058 0.000 1.024 85 N CA 1.045 54.122 53.050 0.044 0.000 0.853 85 N CB -0.003 38.542 38.487 0.097 0.000 1.008 85 N HN 0.128 nan 8.380 nan 0.000 0.424 86 I N 0.181 120.778 120.570 0.046 0.000 2.286 86 I HA -0.255 3.913 4.170 -0.004 0.000 0.248 86 I C 2.131 178.308 176.117 0.101 0.000 1.115 86 I CA 0.867 62.204 61.300 0.062 0.000 1.392 86 I CB -0.360 37.671 38.000 0.051 0.000 1.065 86 I HN 0.137 nan 8.210 nan 0.000 0.418 87 F N 1.497 121.433 119.950 -0.024 0.000 2.102 87 F HA -0.213 4.312 4.527 -0.003 0.000 0.298 87 F C 2.253 178.087 175.800 0.058 0.000 1.105 87 F CA 1.662 59.683 58.000 0.035 0.000 1.239 87 F CB -0.178 38.821 39.000 -0.002 0.000 0.991 87 F HN -0.134 nan 8.300 nan 0.000 0.474 88 L N -0.154 121.190 121.223 0.201 0.000 1.989 88 L HA -0.271 4.067 4.340 -0.004 0.000 0.211 88 L C 2.644 179.535 176.870 0.035 0.000 1.071 88 L CA 1.250 56.154 54.840 0.108 0.000 0.749 88 L CB -0.935 41.147 42.059 0.037 0.000 0.890 88 L HN 0.174 nan 8.230 nan 0.000 0.431 89 Q N -0.561 119.256 119.800 0.027 0.000 2.170 89 Q HA -0.153 4.184 4.340 -0.004 0.000 0.203 89 Q C 2.196 178.188 176.000 -0.012 0.000 0.976 89 Q CA 1.951 57.753 55.803 -0.002 0.000 0.858 89 Q CB -0.889 27.858 28.738 0.014 0.000 0.907 89 Q HN 0.513 nan 8.270 nan 0.000 0.433 90 T N 1.149 115.688 114.554 -0.026 0.000 2.777 90 T HA -0.059 4.289 4.350 -0.004 0.000 0.266 90 T C 1.839 176.519 174.700 -0.033 0.000 1.040 90 T CA 0.967 63.045 62.100 -0.037 0.000 1.141 90 T CB -0.025 68.804 68.868 -0.066 0.000 0.868 90 T HN 0.108 nan 8.240 nan 0.000 0.444 91 M N 0.806 120.349 119.600 -0.094 0.000 2.117 91 M HA 0.075 4.552 4.480 -0.004 0.000 0.262 91 M C 2.315 178.664 176.300 0.081 0.000 1.065 91 M CA 1.192 56.485 55.300 -0.011 0.000 1.114 91 M CB -1.251 31.300 32.600 -0.081 0.000 1.361 91 M HN 0.265 nan 8.290 nan 0.000 0.408 92 I N -0.194 120.364 120.570 -0.019 0.000 2.208 92 I HA -0.343 3.824 4.170 -0.004 0.000 0.245 92 I C 2.565 178.707 176.117 0.043 0.000 1.097 92 I CA 1.347 62.615 61.300 -0.053 0.000 1.363 92 I CB -0.430 37.483 38.000 -0.145 0.000 1.051 92 I HN 0.345 nan 8.210 nan 0.000 0.413 93 K N 1.208 121.639 120.400 0.052 0.000 2.062 93 K HA -0.118 4.200 4.320 -0.004 0.000 0.205 93 K C 2.154 178.833 176.600 0.131 0.000 1.051 93 K CA 1.066 57.403 56.287 0.083 0.000 0.941 93 K CB 0.032 32.585 32.500 0.089 0.000 0.719 93 K HN 0.251 nan 8.250 nan 0.000 0.440 94 L N -0.099 121.213 121.223 0.148 0.000 2.093 94 L HA -0.141 4.197 4.340 -0.004 0.000 0.208 94 L C 2.213 179.134 176.870 0.085 0.000 1.085 94 L CA 1.034 55.951 54.840 0.129 0.000 0.755 94 L CB -0.439 41.676 42.059 0.093 0.000 0.904 94 L HN 0.131 nan 8.230 nan 0.000 0.435 95 F N 0.581 120.508 119.950 -0.039 0.000 2.186 95 F HA -0.171 4.354 4.527 -0.003 0.000 0.299 95 F C 2.529 178.316 175.800 -0.023 0.000 1.090 95 F CA 1.204 59.176 58.000 -0.046 0.000 1.307 95 F CB -0.488 38.477 39.000 -0.059 0.000 1.019 95 F HN 0.143 nan 8.300 nan 0.000 0.489 96 N N 0.019 118.813 118.700 0.156 0.000 2.188 96 N HA -0.176 4.562 4.740 -0.004 0.000 0.184 96 N C 2.066 177.616 175.510 0.066 0.000 1.018 96 N CA 0.966 54.066 53.050 0.084 0.000 0.858 96 N CB -0.368 38.150 38.487 0.050 0.000 0.989 96 N HN 0.264 nan 8.380 nan 0.000 0.426 97 R N 1.135 121.676 120.500 0.068 0.000 2.081 97 R HA 0.026 4.364 4.340 -0.004 0.000 0.235 97 R C 2.250 178.622 176.300 0.120 0.000 1.131 97 R CA 0.882 57.026 56.100 0.073 0.000 0.960 97 R CB -0.248 30.090 30.300 0.064 0.000 0.856 97 R HN 0.127 nan 8.270 nan 0.000 0.436 98 I N 1.630 122.215 120.570 0.026 0.000 2.163 98 I HA -0.312 3.856 4.170 -0.004 0.000 0.243 98 I C 2.090 178.269 176.117 0.104 0.000 1.085 98 I CA 1.885 63.170 61.300 -0.026 0.000 1.347 98 I CB -0.285 37.574 38.000 -0.234 0.000 1.044 98 I HN 0.302 nan 8.210 nan 0.000 0.408 99 K N 0.880 121.320 120.400 0.067 0.000 2.487 99 K HA 0.020 4.338 4.320 -0.004 0.000 0.192 99 K C 1.732 178.375 176.600 0.072 0.000 1.027 99 K CA 1.002 57.333 56.287 0.073 0.000 1.054 99 K CB -0.178 32.354 32.500 0.053 0.000 0.824 99 K HN 0.275 nan 8.250 nan 0.000 0.510 100 S N 0.322 116.074 115.700 0.087 0.000 2.474 100 S HA -0.045 4.423 4.470 -0.004 0.000 0.235 100 S C 0.322 174.902 174.600 -0.034 0.000 0.997 100 S CA 0.187 58.404 58.200 0.028 0.000 0.949 100 S CB -0.207 63.009 63.200 0.026 0.000 0.766 100 S HN 0.312 nan 8.310 nan 0.000 0.517 101 K N 0.793 121.174 120.400 -0.033 0.000 2.371 101 K HA 0.402 4.719 4.320 -0.004 0.000 0.251 101 K C -2.466 174.126 176.600 -0.014 0.000 0.934 101 K CA -2.568 53.628 56.287 -0.151 0.000 0.798 101 K CB 1.902 34.059 32.500 -0.573 0.000 1.204 101 K HN -0.238 nan 8.250 nan 0.000 0.427 102 P HA -0.249 nan 4.420 nan 0.000 0.216 102 P C 1.241 178.589 177.300 0.081 0.000 1.157 102 P CA 0.973 64.087 63.100 0.022 0.000 0.880 102 P CB 0.215 31.914 31.700 -0.002 0.000 0.791 103 L N -0.425 120.856 121.223 0.097 0.000 2.013 103 L HA -0.108 4.230 4.340 -0.004 0.000 0.212 103 L C 2.254 179.296 176.870 0.287 0.000 1.073 103 L CA 2.582 57.535 54.840 0.187 0.000 0.753 103 L CB -1.623 40.553 42.059 0.196 0.000 0.890 103 L HN -0.024 nan 8.230 nan 0.000 0.432 104 G N -1.658 107.335 108.800 0.322 0.000 2.403 104 G HA2 -0.259 3.698 3.960 -0.004 0.000 0.216 104 G HA3 -0.259 3.698 3.960 -0.004 0.000 0.216 104 G C 1.500 176.457 174.900 0.096 0.000 1.154 104 G CA 0.626 45.850 45.100 0.207 0.000 0.784 104 G HN 0.541 nan 8.290 nan 0.000 0.538 105 E N 0.400 120.665 120.200 0.109 0.000 2.110 105 E HA -0.107 4.241 4.350 -0.004 0.000 0.193 105 E C 2.291 178.923 176.600 0.053 0.000 0.988 105 E CA 0.908 57.345 56.400 0.060 0.000 0.804 105 E CB -0.060 29.672 29.700 0.055 0.000 0.745 105 E HN 0.358 nan 8.360 nan 0.000 0.458 106 K N 0.088 120.551 120.400 0.104 0.000 2.155 106 K HA -0.120 4.197 4.320 -0.004 0.000 0.203 106 K C 2.159 178.787 176.600 0.047 0.000 1.052 106 K CA 0.645 57.009 56.287 0.129 0.000 0.948 106 K CB -0.073 32.563 32.500 0.227 0.000 0.728 106 K HN 0.144 nan 8.250 nan 0.000 0.448 107 L N 1.417 122.620 121.223 -0.033 0.000 2.027 107 L HA -0.123 4.215 4.340 -0.004 0.000 0.206 107 L C 1.794 178.492 176.870 -0.286 0.000 1.074 107 L CA 1.530 56.098 54.840 -0.453 0.000 0.745 107 L CB -0.404 41.421 42.059 -0.390 0.000 0.898 107 L HN 0.092 nan 8.230 nan 0.000 0.433 108 L N -0.581 120.553 121.223 -0.148 0.000 2.017 108 L HA -0.213 4.124 4.340 -0.004 0.000 0.208 108 L C 2.566 179.407 176.870 -0.047 0.000 1.073 108 L CA 1.655 56.442 54.840 -0.088 0.000 0.745 108 L CB -0.608 41.429 42.059 -0.036 0.000 0.894 108 L HN 0.346 nan 8.230 nan 0.000 0.432 109 E N -0.480 119.703 120.200 -0.029 0.000 2.085 109 E HA -0.241 4.107 4.350 -0.004 0.000 0.194 109 E C 2.297 178.890 176.600 -0.012 0.000 0.994 109 E CA 1.188 57.582 56.400 -0.009 0.000 0.801 109 E CB -0.077 29.629 29.700 0.009 0.000 0.743 109 E HN 0.359 nan 8.360 nan 0.000 0.453 110 M N 0.153 119.729 119.600 -0.041 0.000 2.159 110 M HA -0.130 4.348 4.480 -0.004 0.000 0.263 110 M C 2.304 178.640 176.300 0.060 0.000 1.063 110 M CA 1.317 56.612 55.300 -0.007 0.000 1.110 110 M CB -0.598 31.905 32.600 -0.161 0.000 1.374 110 M HN 0.180 nan 8.290 nan 0.000 0.411 111 I N -0.270 120.286 120.570 -0.023 0.000 2.286 111 I HA -0.275 3.893 4.170 -0.004 0.000 0.245 111 I C 2.313 178.439 176.117 0.014 0.000 1.104 111 I CA 0.988 62.293 61.300 0.008 0.000 1.397 111 I CB -0.229 37.747 38.000 -0.040 0.000 1.072 111 I HN 0.169 nan 8.210 nan 0.000 0.417 112 I N 0.855 121.427 120.570 0.003 0.000 2.226 112 I HA -0.296 3.872 4.170 -0.004 0.000 0.245 112 I C 1.881 177.981 176.117 -0.028 0.000 1.100 112 I CA 1.391 62.689 61.300 -0.003 0.000 1.374 112 I CB -0.422 37.575 38.000 -0.006 0.000 1.057 112 I HN 0.326 nan 8.210 nan 0.000 0.413 113 N N 0.788 119.469 118.700 -0.032 0.000 2.463 113 N HA -0.003 4.735 4.740 -0.004 0.000 0.181 113 N C 1.341 176.777 175.510 -0.124 0.000 1.078 113 N CA 0.539 53.547 53.050 -0.070 0.000 0.902 113 N CB 0.142 38.601 38.487 -0.046 0.000 0.970 113 N HN 0.275 nan 8.380 nan 0.000 0.451 114 G N 2.158 110.883 108.800 -0.125 0.000 3.455 114 G HA2 0.201 4.159 3.960 -0.004 0.000 0.250 114 G HA3 0.201 4.159 3.960 -0.004 0.000 0.250 114 G C 0.656 175.388 174.900 -0.280 0.000 1.071 114 G CA -0.446 44.421 45.100 -0.389 0.000 1.812 114 G HN 0.294 nan 8.290 nan 0.000 0.643 115 I N -1.807 118.664 120.570 -0.165 0.000 2.775 115 I HA 0.257 4.425 4.170 -0.004 0.000 0.290 115 I C -2.362 173.783 176.117 0.048 0.000 1.203 115 I CA -1.753 59.515 61.300 -0.053 0.000 1.433 115 I CB 0.385 38.331 38.000 -0.090 0.000 1.354 115 I HN -0.098 nan 8.210 nan 0.000 0.579 116 P HA 0.002 nan 4.420 nan 0.000 0.269 116 P C -0.958 176.470 177.300 0.213 0.000 1.209 116 P CA 0.170 63.354 63.100 0.140 0.000 0.776 116 P CB 0.238 32.018 31.700 0.132 0.000 0.876 117 Y N 2.733 123.045 120.300 0.021 0.000 2.578 117 Y HA 0.047 4.595 4.550 -0.004 0.000 0.339 117 Y C 0.436 176.303 175.900 -0.054 0.000 1.231 117 Y CA 0.185 58.120 58.100 -0.274 0.000 1.461 117 Y CB 0.142 38.487 38.460 -0.191 0.000 1.323 117 Y HN 0.166 nan 8.280 nan 0.000 0.590 118 L N 6.914 127.745 121.223 -0.652 0.000 2.384 118 L HA 0.375 4.713 4.340 -0.004 0.000 0.258 118 L C 0.622 177.447 176.870 -0.075 0.000 1.266 118 L CA 0.353 54.956 54.840 -0.395 0.000 1.162 118 L CB -1.386 40.222 42.059 -0.752 0.000 1.375 118 L HN 0.927 nan 8.230 nan 0.000 0.420 119 G N 1.661 110.521 108.800 0.100 0.000 2.361 119 G HA2 0.177 4.135 3.960 -0.004 0.000 0.331 119 G HA3 0.177 4.135 3.960 -0.004 0.000 0.331 119 G C -1.815 173.001 174.900 -0.141 0.000 1.324 119 G CA -0.282 44.872 45.100 0.091 0.000 0.984 119 G HN 0.494 nan 8.290 nan 0.000 0.586 120 D N -2.430 117.674 120.400 -0.492 0.000 3.076 120 D HA 0.411 5.049 4.640 -0.004 0.000 0.301 120 D C 1.685 177.315 176.300 -1.116 0.000 1.260 120 D CA 0.004 53.244 54.000 -1.268 0.000 1.027 120 D CB -0.115 40.310 40.800 -0.625 0.000 1.370 120 D HN 0.742 nan 8.370 nan 0.000 0.602 121 R N 0.028 120.055 120.500 -0.789 0.000 2.127 121 R HA -0.021 4.317 4.340 -0.004 0.000 0.238 121 R C 1.634 177.833 176.300 -0.169 0.000 1.134 121 R CA 1.038 56.978 56.100 -0.267 0.000 0.975 121 R CB -0.417 29.777 30.300 -0.178 0.000 0.865 121 R HN 0.252 nan 8.270 nan 0.000 0.447 122 R N 1.030 121.419 120.500 -0.185 0.000 2.148 122 R HA 0.101 4.439 4.340 -0.004 0.000 0.223 122 R C 0.368 176.625 176.300 -0.072 0.000 1.088 122 R CA 0.524 56.558 56.100 -0.109 0.000 0.985 122 R CB 0.035 30.277 30.300 -0.096 0.000 0.880 122 R HN -0.001 nan 8.270 nan 0.000 0.451 123 V N 3.284 123.151 119.914 -0.079 0.000 2.637 123 V HA 0.077 4.195 4.120 -0.004 0.000 0.296 123 V C -1.975 174.130 176.094 0.019 0.000 1.046 123 V CA -1.510 60.782 62.300 -0.014 0.000 1.066 123 V CB 0.829 32.667 31.823 0.026 0.000 0.968 123 V HN 0.027 nan 8.190 nan 0.000 0.483 124 P HA 0.137 nan 4.420 nan 0.000 0.269 124 P C 1.019 178.340 177.300 0.034 0.000 1.209 124 P CA -0.120 62.989 63.100 0.015 0.000 0.776 124 P CB 0.472 32.174 31.700 0.003 0.000 0.876 125 L N 1.606 122.842 121.223 0.021 0.000 2.127 125 L HA -0.209 4.128 4.340 -0.004 0.000 0.211 125 L C 1.461 178.332 176.870 0.002 0.000 1.089 125 L CA 1.765 56.618 54.840 0.021 0.000 0.757 125 L CB -0.690 41.367 42.059 -0.003 0.000 0.899 125 L HN 0.467 nan 8.230 nan 0.000 0.434 126 E N -0.366 119.821 120.200 -0.021 0.000 2.502 126 E HA 0.019 4.367 4.350 -0.004 0.000 0.194 126 E C -0.096 176.438 176.600 -0.111 0.000 1.062 126 E CA 0.181 56.545 56.400 -0.060 0.000 0.867 126 E CB 0.227 29.901 29.700 -0.044 0.000 0.888 126 E HN 0.561 nan 8.360 nan 0.000 0.510 127 E N -0.424 119.731 120.200 -0.076 0.000 2.378 127 E HA 0.456 4.804 4.350 -0.004 0.000 0.265 127 E C -0.802 175.790 176.600 -0.012 0.000 0.932 127 E CA -0.813 55.532 56.400 -0.092 0.000 0.795 127 E CB 1.531 31.225 29.700 -0.010 0.000 1.296 127 E HN -0.069 nan 8.360 nan 0.000 0.438 128 F N 1.081 121.026 119.950 -0.007 0.000 2.482 128 F HA 0.369 4.894 4.527 -0.004 0.000 0.331 128 F C 0.169 175.935 175.800 -0.058 0.000 1.115 128 F CA -1.005 56.949 58.000 -0.077 0.000 0.955 128 F CB 1.743 40.643 39.000 -0.166 0.000 1.136 128 F HN 0.293 nan 8.300 nan 0.000 0.452 129 N N 1.699 120.486 118.700 0.145 0.000 2.531 129 N HA 0.094 4.832 4.740 -0.004 0.000 0.268 129 N C 0.397 175.926 175.510 0.032 0.000 1.023 129 N CA -0.225 52.863 53.050 0.063 0.000 0.896 129 N CB 1.563 40.071 38.487 0.035 0.000 1.233 129 N HN 0.699 nan 8.380 nan 0.000 0.512 130 T N -0.216 114.361 114.554 0.038 0.000 3.088 130 T HA 0.012 4.360 4.350 -0.004 0.000 0.259 130 T C 0.827 175.530 174.700 0.006 0.000 1.122 130 T CA 0.329 62.476 62.100 0.079 0.000 1.095 130 T CB -0.179 68.796 68.868 0.178 0.000 0.930 130 T HN 0.305 nan 8.240 nan 0.000 0.508 131 N N 2.280 120.959 118.700 -0.035 0.000 3.243 131 N HA 0.259 4.996 4.740 -0.004 0.000 0.310 131 N C -0.430 175.017 175.510 -0.105 0.000 1.313 131 N CA -0.674 52.321 53.050 -0.092 0.000 1.204 131 N CB -0.836 37.597 38.487 -0.090 0.000 1.483 131 N HN 0.771 nan 8.380 nan 0.000 0.553 132 I N -3.665 116.851 120.570 -0.090 0.000 2.802 132 I HA 0.573 4.741 4.170 -0.004 0.000 0.298 132 I C 0.716 176.782 176.117 -0.084 0.000 1.176 132 I CA -1.241 60.006 61.300 -0.087 0.000 1.025 132 I CB 1.616 39.579 38.000 -0.061 0.000 1.243 132 I HN -0.148 nan 8.210 nan 0.000 0.424 133 A N 3.221 125.991 122.820 -0.083 0.000 2.131 133 A HA -0.123 4.195 4.320 -0.004 0.000 0.220 133 A C 1.938 179.502 177.584 -0.033 0.000 1.158 133 A CA 2.022 54.022 52.037 -0.062 0.000 0.665 133 A CB -0.849 18.140 19.000 -0.019 0.000 0.795 133 A HN 0.966 nan 8.150 nan 0.000 0.460 134 S N -1.922 113.772 115.700 -0.010 0.000 2.575 134 S HA 0.219 4.687 4.470 -0.004 0.000 0.215 134 S C 1.088 175.722 174.600 0.057 0.000 0.966 134 S CA 0.693 58.908 58.200 0.025 0.000 0.911 134 S CB 0.289 63.512 63.200 0.039 0.000 0.780 134 S HN 0.223 nan 8.310 nan 0.000 0.514 135 V N 0.204 120.152 119.914 0.057 0.000 3.137 135 V HA 0.260 4.378 4.120 -0.004 0.000 0.236 135 V C 0.567 176.767 176.094 0.177 0.000 1.260 135 V CA 0.615 62.998 62.300 0.138 0.000 1.244 135 V CB 0.275 32.182 31.823 0.140 0.000 1.016 135 V HN 0.397 nan 8.190 nan 0.000 0.477 136 T N 1.010 115.585 114.554 0.034 0.000 2.829 136 T HA 0.683 5.031 4.350 -0.004 0.000 0.280 136 T C -1.131 173.502 174.700 -0.111 0.000 0.999 136 T CA -0.129 61.921 62.100 -0.082 0.000 0.983 136 T CB 2.500 71.265 68.868 -0.172 0.000 0.968 136 T HN 0.022 nan 8.240 nan 0.000 0.446 137 V N 3.765 123.602 119.914 -0.129 0.000 2.735 137 V HA 0.564 4.682 4.120 -0.004 0.000 0.310 137 V C -1.189 174.828 176.094 -0.127 0.000 1.061 137 V CA -0.928 61.299 62.300 -0.121 0.000 0.913 137 V CB 2.216 33.955 31.823 -0.141 0.000 1.005 137 V HN 0.819 nan 8.190 nan 0.000 0.428 138 N N 4.296 122.964 118.700 -0.054 0.000 2.487 138 N HA 0.507 5.245 4.740 -0.004 0.000 0.292 138 N C -0.992 174.534 175.510 0.027 0.000 1.108 138 N CA -0.484 52.567 53.050 0.001 0.000 0.956 138 N CB 1.638 40.203 38.487 0.130 0.000 1.176 138 N HN 0.755 nan 8.380 nan 0.000 0.484 139 K N -0.176 120.232 120.400 0.014 0.000 2.324 139 K HA 0.497 4.814 4.320 -0.004 0.000 0.253 139 K C -1.030 175.573 176.600 0.005 0.000 0.932 139 K CA -0.917 55.372 56.287 0.002 0.000 0.799 139 K CB 1.721 34.153 32.500 -0.114 0.000 1.154 139 K HN 0.213 nan 8.250 nan 0.000 0.425 140 L N 4.134 125.295 121.223 -0.102 0.000 2.278 140 L HA 0.203 4.540 4.340 -0.004 0.000 0.287 140 L C 0.056 176.800 176.870 -0.211 0.000 1.072 140 L CA -0.165 54.489 54.840 -0.309 0.000 0.819 140 L CB 0.461 41.993 42.059 -0.878 0.000 1.176 140 L HN 0.857 nan 8.230 nan 0.000 0.435 141 I N 2.223 122.707 120.570 -0.144 0.000 2.385 141 I HA 0.040 4.208 4.170 -0.004 0.000 0.244 141 I C 1.304 177.354 176.117 -0.113 0.000 1.089 141 I CA 0.928 62.163 61.300 -0.108 0.000 1.410 141 I CB -0.623 37.334 38.000 -0.071 0.000 1.117 141 I HN 0.775 nan 8.210 nan 0.000 0.429 142 S N 2.362 117.996 115.700 -0.110 0.000 2.542 142 S HA -0.087 4.381 4.470 -0.004 0.000 0.287 142 S C 0.352 174.886 174.600 -0.109 0.000 1.315 142 S CA -0.446 57.696 58.200 -0.098 0.000 1.037 142 S CB -0.473 62.672 63.200 -0.092 0.000 0.822 142 S HN 0.311 nan 8.310 nan 0.000 0.513 143 N N 2.187 120.838 118.700 -0.083 0.000 2.305 143 N HA 0.117 4.855 4.740 -0.004 0.000 0.232 143 N C -2.627 172.828 175.510 -0.091 0.000 1.274 143 N CA -0.686 52.317 53.050 -0.078 0.000 0.870 143 N CB -0.767 37.686 38.487 -0.057 0.000 1.105 143 N HN 0.453 nan 8.380 nan 0.000 0.436 144 P HA 0.078 nan 4.420 nan 0.000 0.264 144 P C 0.462 177.720 177.300 -0.071 0.000 1.193 144 P CA 0.692 63.740 63.100 -0.087 0.000 0.763 144 P CB 0.292 31.950 31.700 -0.070 0.000 0.810 145 G N 2.021 110.776 108.800 -0.074 0.000 2.270 145 G HA2 -0.068 3.890 3.960 -0.004 0.000 0.224 145 G HA3 -0.068 3.890 3.960 -0.004 0.000 0.224 145 G C -0.587 174.282 174.900 -0.052 0.000 1.079 145 G CA -0.080 44.988 45.100 -0.053 0.000 0.807 145 G HN 0.738 nan 8.290 nan 0.000 0.492 146 E N -2.845 117.313 120.200 -0.069 0.000 3.786 146 E HA 0.221 4.569 4.350 -0.004 0.000 0.367 146 E C 0.049 176.596 176.600 -0.089 0.000 1.072 146 E CA -0.484 55.880 56.400 -0.060 0.000 0.852 146 E CB 0.164 29.834 29.700 -0.050 0.000 1.231 146 E HN 1.211 nan 8.360 nan 0.000 0.510 147 V N 0.544 120.425 119.914 -0.055 0.000 3.490 147 V HA 0.030 4.147 4.120 -0.004 0.000 0.315 147 V C 1.528 177.605 176.094 -0.028 0.000 1.284 147 V CA 1.157 63.425 62.300 -0.054 0.000 1.233 147 V CB -0.968 30.892 31.823 0.062 0.000 1.101 147 V HN 0.739 nan 8.190 nan 0.000 0.425 148 E N 1.562 121.739 120.200 -0.037 0.000 2.130 148 E HA -0.199 4.149 4.350 -0.004 0.000 0.196 148 E C 0.965 177.552 176.600 -0.022 0.000 0.998 148 E CA 1.206 57.592 56.400 -0.023 0.000 0.806 148 E CB -0.196 29.487 29.700 -0.029 0.000 0.738 148 E HN 0.711 nan 8.360 nan 0.000 0.459 149 R N 0.782 121.257 120.500 -0.042 0.000 2.451 149 R HA 0.425 4.763 4.340 -0.004 0.000 0.307 149 R C -0.881 175.394 176.300 -0.041 0.000 0.965 149 R CA -0.533 55.545 56.100 -0.036 0.000 0.865 149 R CB 1.837 32.111 30.300 -0.044 0.000 1.174 149 R HN -0.039 nan 8.270 nan 0.000 0.455 150 K N 1.802 122.198 120.400 -0.007 0.000 2.295 150 K HA 0.528 4.846 4.320 -0.004 0.000 0.239 150 K C -0.804 175.791 176.600 -0.008 0.000 0.991 150 K CA -1.069 55.226 56.287 0.013 0.000 0.845 150 K CB 1.936 34.485 32.500 0.083 0.000 1.197 150 K HN 0.115 nan 8.250 nan 0.000 0.441 151 K N 0.058 120.447 120.400 -0.018 0.000 2.535 151 K HA 0.351 4.669 4.320 -0.004 0.000 0.251 151 K C -0.968 175.587 176.600 -0.075 0.000 0.942 151 K CA -0.368 55.891 56.287 -0.047 0.000 0.798 151 K CB 1.875 34.346 32.500 -0.049 0.000 1.267 151 K HN 0.747 nan 8.250 nan 0.000 0.434 152 G N 3.408 112.137 108.800 -0.119 0.000 2.507 152 G HA2 0.629 4.587 3.960 -0.004 0.000 0.271 152 G HA3 0.629 4.587 3.960 -0.004 0.000 0.271 152 G C -0.483 174.271 174.900 -0.244 0.000 1.189 152 G CA -0.584 44.402 45.100 -0.189 0.000 0.859 152 G HN 0.730 nan 8.290 nan 0.000 0.542 153 I N -2.113 118.289 120.570 -0.280 0.000 2.827 153 I HA 0.594 4.762 4.170 -0.004 0.000 0.298 153 I C -1.294 174.676 176.117 -0.245 0.000 1.235 153 I CA -1.299 59.855 61.300 -0.244 0.000 1.021 153 I CB 2.135 40.092 38.000 -0.072 0.000 1.259 153 I HN 0.327 nan 8.210 nan 0.000 0.427 154 F N 3.532 123.517 119.950 0.059 0.000 2.389 154 F HA 0.793 5.318 4.527 -0.004 0.000 0.337 154 F C 0.817 176.689 175.800 0.121 0.000 1.112 154 F CA -0.160 57.880 58.000 0.066 0.000 1.192 154 F CB 1.671 40.718 39.000 0.078 0.000 1.185 154 F HN 0.766 nan 8.300 nan 0.000 0.552 155 A N 2.220 125.226 122.820 0.310 0.000 2.587 155 A HA 0.558 4.876 4.320 -0.004 0.000 0.293 155 A C -0.543 177.169 177.584 0.214 0.000 1.087 155 A CA -0.768 51.442 52.037 0.289 0.000 0.692 155 A CB 1.412 20.563 19.000 0.250 0.000 1.291 155 A HN 0.664 nan 8.150 nan 0.000 0.407 156 N N -0.815 118.005 118.700 0.200 0.000 2.545 156 N HA 0.301 5.039 4.740 -0.004 0.000 0.190 156 N C -0.545 175.051 175.510 0.143 0.000 1.043 156 N CA 0.624 53.756 53.050 0.138 0.000 0.879 156 N CB 0.420 38.964 38.487 0.094 0.000 1.210 156 N HN 0.559 nan 8.380 nan 0.000 0.437 157 L N 0.530 121.862 121.223 0.182 0.000 2.455 157 L HA 0.583 4.921 4.340 -0.004 0.000 0.264 157 L C -1.856 175.151 176.870 0.229 0.000 0.968 157 L CA -0.517 54.431 54.840 0.180 0.000 0.827 157 L CB 1.920 44.072 42.059 0.156 0.000 1.317 157 L HN -0.062 nan 8.230 nan 0.000 0.407 158 I N 5.954 126.641 120.570 0.195 0.000 2.439 158 I HA 0.440 4.608 4.170 -0.004 0.000 0.285 158 I C -0.819 175.395 176.117 0.161 0.000 1.021 158 I CA -0.388 61.001 61.300 0.149 0.000 1.091 158 I CB 1.759 39.791 38.000 0.054 0.000 1.242 158 I HN 0.464 nan 8.210 nan 0.000 0.439 159 I N 6.099 126.754 120.570 0.141 0.000 2.321 159 I HA 0.386 4.554 4.170 -0.004 0.000 0.291 159 I C -0.480 175.778 176.117 0.236 0.000 0.998 159 I CA -0.293 61.164 61.300 0.262 0.000 1.227 159 I CB 0.850 39.024 38.000 0.290 0.000 1.368 159 I HN 0.331 nan 8.210 nan 0.000 0.466 160 F N 3.061 123.240 119.950 0.382 0.000 2.461 160 F HA 0.647 5.172 4.527 -0.004 0.000 0.332 160 F C 1.270 177.299 175.800 0.381 0.000 1.073 160 F CA -0.290 57.933 58.000 0.372 0.000 1.017 160 F CB 0.659 39.947 39.000 0.479 0.000 1.301 160 F HN 0.388 nan 8.300 nan 0.000 0.492 161 G N -0.011 109.013 108.800 0.374 0.000 2.553 161 G HA2 0.427 4.385 3.960 -0.004 0.000 0.278 161 G HA3 0.427 4.385 3.960 -0.004 0.000 0.278 161 G C -2.648 172.474 174.900 0.370 0.000 1.349 161 G CA -1.204 44.011 45.100 0.191 0.000 1.037 161 G HN 0.349 nan 8.290 nan 0.000 0.508 162 P HA 0.220 nan 4.420 nan 0.000 0.274 162 P C 0.416 177.800 177.300 0.141 0.000 1.246 162 P CA 0.019 63.212 63.100 0.155 0.000 0.795 162 P CB 1.094 32.803 31.700 0.016 0.000 1.006 163 G N 0.223 108.976 108.800 -0.078 0.000 2.574 163 G HA2 0.292 4.250 3.960 -0.004 0.000 0.248 163 G HA3 0.292 4.250 3.960 -0.004 0.000 0.248 163 G C -1.737 172.819 174.900 -0.573 0.000 1.422 163 G CA -1.128 43.780 45.100 -0.320 0.000 1.051 163 G HN 0.225 nan 8.290 nan 0.000 0.560 164 P HA -0.067 nan 4.420 nan 0.000 0.216 164 P C 0.451 177.393 177.300 -0.597 0.000 1.154 164 P CA 0.797 63.280 63.100 -1.028 0.000 0.865 164 P CB 0.065 31.280 31.700 -0.808 0.000 0.789 165 V N 0.916 120.449 119.914 -0.635 0.000 2.348 165 V HA 0.071 4.189 4.120 -0.004 0.000 0.270 165 V C 1.728 177.564 176.094 -0.430 0.000 1.037 165 V CA -0.056 61.856 62.300 -0.647 0.000 0.872 165 V CB 0.534 32.068 31.823 -0.483 0.000 1.002 165 V HN 0.009 nan 8.190 nan 0.000 0.464 166 L N 3.774 124.749 121.223 -0.414 0.000 2.042 166 L HA -0.148 4.190 4.340 -0.004 0.000 0.210 166 L C 2.105 178.851 176.870 -0.208 0.000 1.076 166 L CA 1.540 56.185 54.840 -0.326 0.000 0.749 166 L CB -0.390 41.393 42.059 -0.460 0.000 0.893 166 L HN 0.888 nan 8.230 nan 0.000 0.432 167 N N 0.050 118.662 118.700 -0.147 0.000 2.370 167 N HA -0.076 4.662 4.740 -0.004 0.000 0.198 167 N C -0.039 175.408 175.510 -0.105 0.000 1.156 167 N CA 0.234 53.230 53.050 -0.091 0.000 0.839 167 N CB -0.095 38.376 38.487 -0.027 0.000 0.989 167 N HN 0.458 nan 8.380 nan 0.000 0.468 168 E N 1.207 121.322 120.200 -0.141 0.000 2.373 168 E HA 0.187 4.535 4.350 -0.004 0.000 0.233 168 E C -0.635 175.908 176.600 -0.094 0.000 1.035 168 E CA -0.576 55.753 56.400 -0.119 0.000 0.930 168 E CB 0.245 29.855 29.700 -0.151 0.000 1.278 168 E HN 0.237 nan 8.360 nan 0.000 0.452 169 N N 2.631 121.309 118.700 -0.037 0.000 2.492 169 N HA 0.077 4.815 4.740 -0.004 0.000 0.260 169 N C -0.167 175.385 175.510 0.070 0.000 1.215 169 N CA 0.613 53.696 53.050 0.056 0.000 0.923 169 N CB 1.230 39.814 38.487 0.161 0.000 1.092 169 N HN 0.472 nan 8.380 nan 0.000 0.448 170 E N 0.056 120.302 120.200 0.075 0.000 2.352 170 E HA 0.244 4.591 4.350 -0.004 0.000 0.280 170 E C -1.481 175.153 176.600 0.056 0.000 0.930 170 E CA -0.508 55.916 56.400 0.040 0.000 0.765 170 E CB 1.561 31.230 29.700 -0.051 0.000 1.219 170 E HN 0.316 nan 8.360 nan 0.000 0.434 171 T N 3.514 118.097 114.554 0.049 0.000 2.767 171 T HA 0.529 4.876 4.350 -0.004 0.000 0.284 171 T C -0.520 174.204 174.700 0.039 0.000 0.973 171 T CA -0.334 61.807 62.100 0.068 0.000 0.996 171 T CB 0.268 69.196 68.868 0.099 0.000 0.927 171 T HN 0.251 nan 8.240 nan 0.000 0.456 172 I N 4.087 124.715 120.570 0.097 0.000 2.509 172 I HA 0.394 4.562 4.170 -0.004 0.000 0.293 172 I C -0.119 176.115 176.117 0.195 0.000 1.020 172 I CA -0.829 60.567 61.300 0.161 0.000 1.088 172 I CB 1.896 40.060 38.000 0.273 0.000 1.267 172 I HN 0.599 nan 8.210 nan 0.000 0.430 173 D N 5.525 126.062 120.400 0.229 0.000 2.326 173 D HA 0.490 5.128 4.640 -0.004 0.000 0.248 173 D C -0.484 176.082 176.300 0.443 0.000 1.001 173 D CA -0.481 53.686 54.000 0.277 0.000 0.961 173 D CB 1.608 42.553 40.800 0.241 0.000 1.183 173 D HN 0.273 nan 8.370 nan 0.000 0.502 174 I N 0.396 121.188 120.570 0.370 0.000 2.304 174 I HA 0.409 4.577 4.170 -0.004 0.000 0.291 174 I C 0.788 177.015 176.117 0.182 0.000 1.018 174 I CA -0.459 61.032 61.300 0.318 0.000 1.260 174 I CB 1.435 39.515 38.000 0.134 0.000 1.390 174 I HN 0.427 nan 8.210 nan 0.000 0.475 175 G N 7.294 116.045 108.800 -0.082 0.000 2.371 175 G HA2 0.778 4.736 3.960 -0.004 0.000 0.326 175 G HA3 0.778 4.736 3.960 -0.004 0.000 0.326 175 G C -0.754 173.926 174.900 -0.365 0.000 1.127 175 G CA -0.409 44.188 45.100 -0.838 0.000 0.885 175 G HN 0.501 nan 8.290 nan 0.000 0.477 176 I N 0.820 121.198 120.570 -0.319 0.000 2.534 176 I HA 0.242 4.410 4.170 -0.004 0.000 0.288 176 I C 0.054 176.098 176.117 -0.122 0.000 1.077 176 I CA -0.472 60.735 61.300 -0.155 0.000 1.051 176 I CB 2.211 40.157 38.000 -0.090 0.000 1.234 176 I HN 0.661 nan 8.210 nan 0.000 0.425 177 Q N 4.744 124.489 119.800 -0.092 0.000 2.463 177 Q HA -0.258 4.079 4.340 -0.004 0.000 0.299 177 Q C 0.167 176.136 176.000 -0.052 0.000 1.353 177 Q CA 0.923 56.701 55.803 -0.042 0.000 0.828 177 Q CB -1.245 27.498 28.738 0.007 0.000 1.157 177 Q HN 0.930 nan 8.270 nan 0.000 0.436 178 N N -1.766 116.827 118.700 -0.179 0.000 2.828 178 N HA -0.211 4.526 4.740 -0.004 0.000 0.248 178 N C -0.521 174.699 175.510 -0.482 0.000 1.044 178 N CA 0.872 53.752 53.050 -0.283 0.000 0.851 178 N CB -0.512 37.837 38.487 -0.230 0.000 1.136 178 N HN 0.496 nan 8.380 nan 0.000 0.572 179 H N -0.771 118.144 119.070 -0.258 0.000 2.747 179 H HA 0.450 5.003 4.556 -0.004 0.000 0.371 179 H C -0.951 174.164 175.328 -0.356 0.000 1.161 179 H CA -0.222 55.734 56.048 -0.154 0.000 1.167 179 H CB 0.967 30.703 29.762 -0.044 0.000 1.732 179 H HN -0.082 nan 8.280 nan 0.000 0.544 180 F N 0.270 120.334 119.950 0.189 0.000 2.445 180 F HA 0.319 4.844 4.527 -0.003 0.000 0.348 180 F C 1.182 177.087 175.800 0.176 0.000 1.125 180 F CA -0.610 57.480 58.000 0.150 0.000 0.983 180 F CB 1.592 40.669 39.000 0.128 0.000 1.198 180 F HN 0.685 nan 8.300 nan 0.000 0.436 181 A N 1.602 124.581 122.820 0.266 0.000 1.978 181 A HA -0.180 4.138 4.320 -0.004 0.000 0.220 181 A C 2.171 179.979 177.584 0.375 0.000 1.170 181 A CA 2.082 54.283 52.037 0.273 0.000 0.636 181 A CB -0.785 18.287 19.000 0.120 0.000 0.810 181 A HN 0.710 nan 8.150 nan 0.000 0.448 182 S N -0.970 114.930 115.700 0.333 0.000 2.603 182 S HA 0.020 4.488 4.470 -0.004 0.000 0.229 182 S C 1.301 176.066 174.600 0.274 0.000 0.972 182 S CA 0.674 59.049 58.200 0.292 0.000 0.935 182 S CB -0.204 63.148 63.200 0.253 0.000 0.769 182 S HN 0.641 nan 8.310 nan 0.000 0.536 183 R N 0.392 121.072 120.500 0.300 0.000 2.508 183 R HA 0.292 4.630 4.340 -0.004 0.000 0.300 183 R C 0.047 176.500 176.300 0.255 0.000 0.970 183 R CA 0.084 56.329 56.100 0.241 0.000 1.102 183 R CB 0.371 30.795 30.300 0.207 0.000 1.246 183 R HN 0.509 nan 8.270 nan 0.000 0.539 184 E N -0.206 120.178 120.200 0.307 0.000 2.968 184 E HA 0.204 4.551 4.350 -0.004 0.000 0.202 184 E C 0.488 177.157 176.600 0.115 0.000 0.979 184 E CA 0.156 56.718 56.400 0.269 0.000 1.192 184 E CB 1.562 31.491 29.700 0.381 0.000 1.059 184 E HN 0.343 nan 8.360 nan 0.000 0.470 185 G N 0.890 109.783 108.800 0.155 0.000 2.299 185 G HA2 -0.374 3.584 3.960 -0.004 0.000 0.237 185 G HA3 -0.374 3.584 3.960 -0.004 0.000 0.237 185 G C 0.750 175.574 174.900 -0.127 0.000 1.027 185 G CA 0.345 45.459 45.100 0.024 0.000 0.619 185 G HN 0.297 nan 8.290 nan 0.000 0.513 186 F N 1.444 121.420 119.950 0.043 0.000 2.128 186 F HA 0.395 4.920 4.527 -0.004 0.000 0.295 186 F C 2.108 177.986 175.800 0.131 0.000 1.100 186 F CA 2.024 60.046 58.000 0.037 0.000 1.260 186 F CB -0.552 38.471 39.000 0.037 0.000 1.009 186 F HN 1.199 nan 8.300 nan 0.000 0.476 187 G N -0.621 108.387 108.800 0.346 0.000 2.730 187 G HA2 0.347 4.305 3.960 -0.004 0.000 0.686 187 G HA3 0.347 4.305 3.960 -0.004 0.000 0.686 187 G C -0.448 174.587 174.900 0.224 0.000 1.343 187 G CA -0.742 44.500 45.100 0.237 0.000 0.826 187 G HN 0.896 nan 8.290 nan 0.000 0.582 188 G N -1.167 107.739 108.800 0.176 0.000 2.601 188 G HA2 0.665 4.622 3.960 -0.004 0.000 0.291 188 G HA3 0.665 4.622 3.960 -0.004 0.000 0.291 188 G C -0.233 174.742 174.900 0.126 0.000 1.456 188 G CA -0.456 44.734 45.100 0.149 0.000 0.804 188 G HN 1.213 nan 8.290 nan 0.000 0.499 189 I N 1.691 122.323 120.570 0.103 0.000 2.906 189 I HA -0.054 4.114 4.170 -0.004 0.000 0.301 189 I C 0.440 176.609 176.117 0.087 0.000 1.221 189 I CA 0.586 61.939 61.300 0.088 0.000 1.435 189 I CB 0.318 38.348 38.000 0.049 0.000 1.345 189 I HN 0.154 nan 8.210 nan 0.000 0.558 190 M N 6.683 126.346 119.600 0.105 0.000 2.472 190 M HA 0.449 4.927 4.480 -0.004 0.000 0.331 190 M C -0.438 175.939 176.300 0.129 0.000 1.170 190 M CA -0.453 54.917 55.300 0.116 0.000 1.009 190 M CB 1.711 34.384 32.600 0.123 0.000 1.672 190 M HN 0.514 nan 8.290 nan 0.000 0.453 191 Q N 1.691 121.579 119.800 0.146 0.000 2.413 191 Q HA 0.797 5.135 4.340 -0.004 0.000 0.276 191 Q C -1.188 174.944 176.000 0.221 0.000 1.099 191 Q CA -0.682 55.256 55.803 0.224 0.000 0.814 191 Q CB 3.915 32.794 28.738 0.236 0.000 1.379 191 Q HN 0.693 nan 8.270 nan 0.000 0.436 192 M N 1.663 121.442 119.600 0.299 0.000 2.484 192 M HA 0.429 4.907 4.480 -0.004 0.000 0.289 192 M C -2.059 174.417 176.300 0.293 0.000 1.206 192 M CA -0.723 54.718 55.300 0.236 0.000 0.892 192 M CB 2.400 35.142 32.600 0.237 0.000 1.712 192 M HN 0.607 nan 8.290 nan 0.000 0.462 193 K N 2.878 123.367 120.400 0.148 0.000 2.394 193 K HA 0.621 4.939 4.320 -0.004 0.000 0.260 193 K C -1.858 174.931 176.600 0.316 0.000 0.967 193 K CA -0.518 55.871 56.287 0.169 0.000 0.855 193 K CB 1.744 34.136 32.500 -0.180 0.000 1.101 193 K HN 0.522 nan 8.250 nan 0.000 0.433 194 F N 2.537 122.653 119.950 0.277 0.000 2.588 194 F HA 0.552 5.076 4.527 -0.004 0.000 0.310 194 F C -1.639 174.390 175.800 0.382 0.000 1.082 194 F CA -0.894 57.270 58.000 0.273 0.000 0.929 194 F CB 1.953 41.118 39.000 0.276 0.000 1.254 194 F HN 0.804 nan 8.300 nan 0.000 0.455 195 C N 8.792 127.746 119.300 -0.576 0.000 2.381 195 C HA 0.535 4.993 4.460 -0.004 0.000 0.328 195 C C -1.753 172.839 174.990 -0.664 0.000 1.190 195 C CA -1.589 57.265 59.018 -0.274 0.000 1.369 195 C CB 1.257 28.894 27.740 -0.172 0.000 2.029 195 C HN 0.756 nan 8.230 nan 0.000 0.448 196 P HA 0.011 nan 4.420 nan 0.000 0.224 196 P C 0.804 178.049 177.300 -0.092 0.000 1.157 196 P CA 1.366 64.383 63.100 -0.138 0.000 0.799 196 P CB 0.602 32.352 31.700 0.083 0.000 0.809 197 E N -0.722 119.452 120.200 -0.043 0.000 2.112 197 E HA -0.050 4.298 4.350 -0.004 0.000 0.190 197 E C 0.104 176.435 176.600 -0.448 0.000 0.979 197 E CA 0.847 57.119 56.400 -0.213 0.000 0.814 197 E CB -0.560 29.004 29.700 -0.226 0.000 0.762 197 E HN 0.366 nan 8.360 nan 0.000 0.460 198 Y N 0.791 121.003 120.300 -0.147 0.000 2.700 198 Y HA 0.251 4.799 4.550 -0.004 0.000 0.333 198 Y C 0.039 175.856 175.900 -0.139 0.000 1.036 198 Y CA -1.224 56.781 58.100 -0.158 0.000 1.287 198 Y CB 0.335 38.696 38.460 -0.164 0.000 1.132 198 Y HN -0.206 nan 8.280 nan 0.000 0.510 199 V N -0.024 119.858 119.914 -0.053 0.000 2.716 199 V HA 0.678 4.796 4.120 -0.004 0.000 0.304 199 V C 0.352 176.457 176.094 0.018 0.000 1.053 199 V CA -1.099 61.200 62.300 -0.001 0.000 0.984 199 V CB 1.418 33.276 31.823 0.058 0.000 1.021 199 V HN 0.649 nan 8.190 nan 0.000 0.467 200 S N 2.536 118.266 115.700 0.051 0.000 2.584 200 S HA 0.592 5.059 4.470 -0.004 0.000 0.270 200 S C -0.193 174.471 174.600 0.106 0.000 1.346 200 S CA -0.517 57.722 58.200 0.066 0.000 1.018 200 S CB 1.160 64.401 63.200 0.069 0.000 0.899 200 S HN 1.099 nan 8.310 nan 0.000 0.542 201 V N 2.744 122.706 119.914 0.080 0.000 2.735 201 V HA 0.790 4.908 4.120 -0.004 0.000 0.310 201 V C -0.649 175.500 176.094 0.092 0.000 1.061 201 V CA -0.777 61.532 62.300 0.014 0.000 0.913 201 V CB 1.173 32.962 31.823 -0.057 0.000 1.005 201 V HN 0.947 nan 8.190 nan 0.000 0.428 202 F N 2.130 122.101 119.950 0.035 0.000 2.662 202 F HA 0.893 5.418 4.527 -0.004 0.000 0.312 202 F C -0.971 174.879 175.800 0.083 0.000 1.113 202 F CA -1.256 56.765 58.000 0.035 0.000 0.951 202 F CB 1.909 40.913 39.000 0.006 0.000 1.344 202 F HN 0.527 nan 8.300 nan 0.000 0.462 203 N N -0.504 118.344 118.700 0.247 0.000 2.264 203 N HA 0.510 5.248 4.740 -0.004 0.000 0.288 203 N C -1.478 174.172 175.510 0.233 0.000 1.094 203 N CA -0.416 52.744 53.050 0.183 0.000 0.817 203 N CB 1.131 39.653 38.487 0.059 0.000 1.604 203 N HN 1.104 nan 8.380 nan 0.000 0.473 204 N N 0.115 118.936 118.700 0.202 0.000 2.488 204 N HA 0.523 5.261 4.740 -0.004 0.000 0.274 204 N C 1.500 177.052 175.510 0.070 0.000 1.111 204 N CA -0.281 52.857 53.050 0.146 0.000 0.974 204 N CB 0.443 38.998 38.487 0.114 0.000 1.089 204 N HN 0.826 nan 8.380 nan 0.000 0.465 205 V N 0.785 120.762 119.914 0.105 0.000 2.244 205 V HA -0.070 4.048 4.120 -0.004 0.000 0.244 205 V C 2.667 178.771 176.094 0.018 0.000 1.042 205 V CA 2.928 65.252 62.300 0.039 0.000 1.006 205 V CB -1.520 30.393 31.823 0.150 0.000 0.641 205 V HN 1.000 nan 8.190 nan 0.000 0.446 206 Q N -0.106 119.737 119.800 0.071 0.000 2.557 206 Q HA 0.388 4.725 4.340 -0.004 0.000 0.217 206 Q C 1.121 177.155 176.000 0.058 0.000 0.978 206 Q CA 2.009 57.853 55.803 0.068 0.000 0.950 206 Q CB -1.319 27.471 28.738 0.086 0.000 0.991 206 Q HN 1.209 nan 8.270 nan 0.000 0.533 207 E N -1.547 118.679 120.200 0.045 0.000 2.538 207 E HA 0.758 5.106 4.350 -0.004 0.000 0.232 207 E C -0.515 176.103 176.600 0.031 0.000 0.830 207 E CA -0.229 56.205 56.400 0.057 0.000 0.916 207 E CB 0.459 30.210 29.700 0.085 0.000 1.567 207 E HN 1.172 nan 8.360 nan 0.000 0.389 208 N N -0.927 117.817 118.700 0.072 0.000 2.478 208 N HA 0.598 5.335 4.740 -0.004 0.000 0.291 208 N C -0.375 175.204 175.510 0.114 0.000 1.090 208 N CA -0.031 53.059 53.050 0.067 0.000 0.911 208 N CB 1.329 39.873 38.487 0.094 0.000 1.546 208 N HN 1.052 nan 8.380 nan 0.000 0.500 209 K N 0.365 120.817 120.400 0.086 0.000 2.165 209 K HA 0.569 4.887 4.320 -0.004 0.000 0.270 209 K C 1.473 178.076 176.600 0.005 0.000 1.091 209 K CA 0.318 56.630 56.287 0.041 0.000 1.019 209 K CB -1.002 31.476 32.500 -0.036 0.000 1.101 209 K HN 2.467 nan 8.250 nan 0.000 0.397 210 G N 0.665 109.481 108.800 0.027 0.000 2.225 210 G HA2 0.115 4.073 3.960 -0.004 0.000 0.267 210 G HA3 0.115 4.073 3.960 -0.004 0.000 0.267 210 G C 0.864 175.797 174.900 0.055 0.000 1.024 210 G CA 0.856 45.970 45.100 0.024 0.000 0.784 210 G HN 2.454 nan 8.290 nan 0.000 0.507 211 A N -2.957 119.912 122.820 0.082 0.000 2.560 211 A HA 0.393 4.711 4.320 -0.004 0.000 0.299 211 A C 1.060 178.707 177.584 0.105 0.000 1.484 211 A CA 2.345 54.440 52.037 0.097 0.000 0.749 211 A CB -1.552 17.495 19.000 0.077 0.000 1.072 211 A HN 2.736 nan 8.150 nan 0.000 0.426 212 S N -1.900 113.877 115.700 0.129 0.000 2.649 212 S HA 0.851 5.319 4.470 -0.004 0.000 0.274 212 S C 0.551 175.275 174.600 0.206 0.000 1.176 212 S CA 0.099 58.393 58.200 0.157 0.000 0.988 212 S CB 0.617 63.882 63.200 0.109 0.000 1.071 212 S HN 1.956 nan 8.310 nan 0.000 0.478 213 I N 0.467 121.213 120.570 0.293 0.000 4.035 213 I HA 0.499 4.667 4.170 -0.004 0.000 0.321 213 I C 1.335 177.533 176.117 0.136 0.000 1.289 213 I CA 0.562 61.998 61.300 0.226 0.000 1.236 213 I CB -1.168 36.937 38.000 0.174 0.000 1.076 213 I HN 0.673 nan 8.210 nan 0.000 0.418 214 F N 0.631 120.602 119.950 0.034 0.000 2.569 214 F HA 0.244 4.769 4.527 -0.004 0.000 0.295 214 F C 1.457 177.275 175.800 0.029 0.000 1.115 214 F CA 0.143 58.159 58.000 0.026 0.000 1.450 214 F CB -0.100 38.914 39.000 0.024 0.000 1.107 214 F HN 0.315 nan 8.300 nan 0.000 0.563 215 N N 0.375 119.197 118.700 0.202 0.000 2.530 215 N HA 0.236 4.973 4.740 -0.004 0.000 0.283 215 N C -0.233 175.326 175.510 0.082 0.000 1.238 215 N CA -0.491 52.631 53.050 0.120 0.000 0.971 215 N CB 0.927 39.473 38.487 0.099 0.000 1.195 215 N HN -0.055 nan 8.380 nan 0.000 0.583 216 R N 0.260 120.800 120.500 0.066 0.000 2.590 216 R HA 0.138 4.476 4.340 -0.004 0.000 0.274 216 R C -0.053 176.256 176.300 0.014 0.000 1.061 216 R CA 0.119 56.251 56.100 0.054 0.000 1.081 216 R CB 0.392 30.752 30.300 0.099 0.000 0.984 216 R HN 0.596 nan 8.270 nan 0.000 0.448 217 R N 0.314 120.809 120.500 -0.009 0.000 2.867 217 R HA 0.781 5.119 4.340 -0.004 0.000 0.268 217 R C -0.476 175.750 176.300 -0.124 0.000 1.014 217 R CA -0.295 55.772 56.100 -0.055 0.000 0.946 217 R CB 1.306 31.628 30.300 0.036 0.000 1.208 217 R HN 0.743 nan 8.270 nan 0.000 0.477 218 G N -0.677 108.008 108.800 -0.193 0.000 2.712 218 G HA2 -0.051 3.907 3.960 -0.004 0.000 0.683 218 G HA3 -0.051 3.907 3.960 -0.004 0.000 0.683 218 G C -1.645 172.966 174.900 -0.481 0.000 1.320 218 G CA -0.578 44.400 45.100 -0.204 0.000 0.847 218 G HN 0.481 nan 8.290 nan 0.000 0.553 219 Y N -0.866 119.025 120.300 -0.681 0.000 2.524 219 Y HA 0.737 5.285 4.550 -0.003 0.000 0.344 219 Y C 0.680 176.111 175.900 -0.781 0.000 1.012 219 Y CA -0.987 56.639 58.100 -0.789 0.000 1.068 219 Y CB 1.657 39.603 38.460 -0.857 0.000 1.249 219 Y HN 0.751 nan 8.280 nan 0.000 0.468 220 F N -1.510 118.216 119.950 -0.374 0.000 2.432 220 F HA 0.823 5.348 4.527 -0.002 0.000 0.329 220 F C 0.104 175.881 175.800 -0.038 0.000 1.076 220 F CA -1.290 56.536 58.000 -0.290 0.000 1.018 220 F CB 0.616 39.358 39.000 -0.431 0.000 1.201 220 F HN 0.264 nan 8.300 nan 0.000 0.489 221 S N 0.304 116.195 115.700 0.318 0.000 2.603 221 S HA 0.077 4.545 4.470 -0.004 0.000 0.268 221 S C -0.657 174.215 174.600 0.454 0.000 1.317 221 S CA -0.576 57.840 58.200 0.360 0.000 1.012 221 S CB 0.507 63.878 63.200 0.284 0.000 0.926 221 S HN 0.714 nan 8.310 nan 0.000 0.539 222 D N 1.932 122.578 120.400 0.411 0.000 2.313 222 D HA 0.205 4.843 4.640 -0.004 0.000 0.239 222 D C -1.402 175.081 176.300 0.304 0.000 1.142 222 D CA -2.221 52.065 54.000 0.477 0.000 0.847 222 D CB 1.337 42.369 40.800 0.388 0.000 1.082 222 D HN 0.120 nan 8.370 nan 0.000 0.480 223 P HA -0.171 nan 4.420 nan 0.000 0.220 223 P C 0.987 178.439 177.300 0.253 0.000 1.144 223 P CA 0.780 64.015 63.100 0.226 0.000 0.800 223 P CB 0.292 32.065 31.700 0.122 0.000 0.772 224 A N -0.306 122.627 122.820 0.188 0.000 1.969 224 A HA -0.113 4.205 4.320 -0.004 0.000 0.218 224 A C 2.179 179.749 177.584 -0.023 0.000 1.169 224 A CA 1.157 53.236 52.037 0.071 0.000 0.635 224 A CB -1.383 17.666 19.000 0.082 0.000 0.810 224 A HN 0.206 nan 8.150 nan 0.000 0.445 225 L N -0.203 121.035 121.223 0.026 0.000 2.131 225 L HA 0.068 4.406 4.340 -0.004 0.000 0.206 225 L C 2.100 179.005 176.870 0.059 0.000 1.087 225 L CA 1.327 56.155 54.840 -0.021 0.000 0.767 225 L CB -0.339 41.721 42.059 0.002 0.000 0.917 225 L HN 0.403 nan 8.230 nan 0.000 0.441 226 I N -1.003 119.653 120.570 0.144 0.000 2.226 226 I HA -0.274 3.894 4.170 -0.004 0.000 0.245 226 I C 2.322 178.611 176.117 0.287 0.000 1.100 226 I CA 1.075 62.504 61.300 0.215 0.000 1.374 226 I CB -0.400 37.755 38.000 0.258 0.000 1.057 226 I HN 0.323 nan 8.210 nan 0.000 0.413 227 L N 0.576 121.921 121.223 0.204 0.000 2.027 227 L HA -0.159 4.179 4.340 -0.004 0.000 0.206 227 L C 2.410 179.187 176.870 -0.154 0.000 1.074 227 L CA 1.856 56.615 54.840 -0.134 0.000 0.745 227 L CB -0.485 41.316 42.059 -0.431 0.000 0.898 227 L HN 0.139 nan 8.230 nan 0.000 0.433 228 M N -1.576 117.933 119.600 -0.152 0.000 2.279 228 M HA -0.218 4.260 4.480 -0.004 0.000 0.264 228 M C 2.239 178.460 176.300 -0.131 0.000 1.062 228 M CA 1.688 56.870 55.300 -0.196 0.000 1.099 228 M CB -0.569 31.888 32.600 -0.238 0.000 1.394 228 M HN 0.489 nan 8.290 nan 0.000 0.426 229 H N 0.601 119.601 119.070 -0.117 0.000 2.353 229 H HA -0.116 4.438 4.556 -0.004 0.000 0.300 229 H C 1.880 177.134 175.328 -0.124 0.000 1.090 229 H CA 1.713 57.696 56.048 -0.107 0.000 1.327 229 H CB 0.272 30.031 29.762 -0.005 0.000 1.383 229 H HN 0.206 nan 8.280 nan 0.000 0.508 230 E N 0.590 120.857 120.200 0.111 0.000 2.152 230 E HA -0.094 4.254 4.350 -0.004 0.000 0.192 230 E C 2.467 179.045 176.600 -0.037 0.000 0.983 230 E CA 0.629 57.112 56.400 0.139 0.000 0.818 230 E CB -0.106 29.724 29.700 0.217 0.000 0.758 230 E HN 0.569 nan 8.360 nan 0.000 0.467 231 L N 0.524 121.664 121.223 -0.138 0.000 2.275 231 L HA -0.092 4.246 4.340 -0.004 0.000 0.215 231 L C 2.372 179.076 176.870 -0.276 0.000 1.119 231 L CA 0.605 55.331 54.840 -0.190 0.000 0.790 231 L CB -0.305 41.599 42.059 -0.258 0.000 0.919 231 L HN 0.088 nan 8.230 nan 0.000 0.443 232 I N -1.299 119.040 120.570 -0.385 0.000 2.353 232 I HA -0.249 3.919 4.170 -0.004 0.000 0.248 232 I C 2.573 178.268 176.117 -0.705 0.000 1.119 232 I CA 0.770 61.726 61.300 -0.574 0.000 1.417 232 I CB -0.450 37.197 38.000 -0.589 0.000 1.078 232 I HN 0.310 nan 8.210 nan 0.000 0.421 233 H N 0.376 119.202 119.070 -0.407 0.000 2.353 233 H HA -0.098 4.456 4.556 -0.003 0.000 0.300 233 H C 2.502 177.748 175.328 -0.136 0.000 1.090 233 H CA 1.447 57.347 56.048 -0.247 0.000 1.327 233 H CB -0.348 29.351 29.762 -0.104 0.000 1.383 233 H HN 0.135 nan 8.280 nan 0.000 0.508 234 V N 1.354 121.277 119.914 0.015 0.000 2.255 234 V HA -0.254 3.864 4.120 -0.004 0.000 0.247 234 V C 2.770 178.882 176.094 0.030 0.000 1.051 234 V CA 1.681 64.003 62.300 0.037 0.000 1.018 234 V CB -0.863 30.969 31.823 0.015 0.000 0.641 234 V HN 0.196 nan 8.190 nan 0.000 0.445 235 L N 0.094 121.267 121.223 -0.083 0.000 1.997 235 L HA -0.273 4.065 4.340 -0.004 0.000 0.216 235 L C 2.402 179.373 176.870 0.169 0.000 1.074 235 L CA 2.315 57.136 54.840 -0.032 0.000 0.763 235 L CB -0.963 40.926 42.059 -0.283 0.000 0.890 235 L HN 0.485 nan 8.230 nan 0.000 0.434 236 H N -1.590 117.509 119.070 0.047 0.000 2.353 236 H HA -0.093 4.460 4.556 -0.004 0.000 0.300 236 H C 2.066 177.495 175.328 0.168 0.000 1.090 236 H CA 0.602 56.703 56.048 0.089 0.000 1.327 236 H CB -0.352 29.444 29.762 0.057 0.000 1.383 236 H HN 0.554 nan 8.280 nan 0.000 0.508 237 G N 0.750 109.713 108.800 0.272 0.000 2.418 237 G HA2 -0.196 3.762 3.960 -0.004 0.000 0.217 237 G HA3 -0.196 3.762 3.960 -0.004 0.000 0.217 237 G C 1.645 176.673 174.900 0.214 0.000 1.158 237 G CA 0.504 45.738 45.100 0.223 0.000 0.771 237 G HN 0.224 nan 8.290 nan 0.000 0.545 238 L N -1.117 120.222 121.223 0.193 0.000 2.141 238 L HA -0.006 4.332 4.340 -0.004 0.000 0.209 238 L C 2.217 179.084 176.870 -0.005 0.000 1.094 238 L CA 0.706 55.603 54.840 0.096 0.000 0.763 238 L CB -0.218 41.870 42.059 0.050 0.000 0.908 238 L HN 0.197 nan 8.230 nan 0.000 0.437 239 Y N -0.113 120.247 120.300 0.100 0.000 2.490 239 Y HA 0.186 4.734 4.550 -0.003 0.000 0.281 239 Y C 1.741 177.810 175.900 0.282 0.000 1.174 239 Y CA 0.325 58.492 58.100 0.113 0.000 1.295 239 Y CB -0.104 38.424 38.460 0.113 0.000 1.062 239 Y HN 0.237 nan 8.280 nan 0.000 0.522 240 G N 1.608 110.614 108.800 0.343 0.000 2.198 240 G HA2 -0.319 3.639 3.960 -0.004 0.000 0.260 240 G HA3 -0.319 3.639 3.960 -0.004 0.000 0.260 240 G C 0.734 175.845 174.900 0.351 0.000 1.025 240 G CA 0.733 46.036 45.100 0.339 0.000 0.769 240 G HN 0.665 nan 8.290 nan 0.000 0.507 241 I N -2.954 117.812 120.570 0.325 0.000 3.927 241 I HA 0.517 4.685 4.170 -0.004 0.000 0.332 241 I C 1.021 177.213 176.117 0.126 0.000 1.485 241 I CA -0.252 61.183 61.300 0.225 0.000 1.131 241 I CB 0.450 38.551 38.000 0.170 0.000 1.092 241 I HN 0.034 nan 8.210 nan 0.000 0.410 242 K N 3.084 123.581 120.400 0.161 0.000 3.277 242 K HA 0.189 4.506 4.320 -0.004 0.000 0.280 242 K C 0.372 177.014 176.600 0.070 0.000 1.182 242 K CA -0.258 56.101 56.287 0.118 0.000 1.219 242 K CB -0.181 32.409 32.500 0.149 0.000 1.373 242 K HN 0.495 nan 8.250 nan 0.000 0.392 243 V N -1.609 118.348 119.914 0.072 0.000 3.096 243 V HA 0.188 4.306 4.120 -0.004 0.000 0.306 243 V C 0.031 176.135 176.094 0.016 0.000 1.088 243 V CA -0.545 61.793 62.300 0.062 0.000 1.129 243 V CB 1.082 32.956 31.823 0.085 0.000 1.014 243 V HN 0.164 nan 8.190 nan 0.000 0.486 244 D N 1.258 121.667 120.400 0.015 0.000 2.217 244 D HA 0.652 5.289 4.640 -0.004 0.000 0.248 244 D C -0.318 175.987 176.300 0.007 0.000 1.008 244 D CA -0.123 53.871 54.000 -0.010 0.000 0.914 244 D CB 1.559 42.348 40.800 -0.018 0.000 1.182 244 D HN 0.918 nan 8.370 nan 0.000 0.451 245 D N 0.164 120.559 120.400 -0.008 0.000 3.103 245 D HA 0.129 4.767 4.640 -0.004 0.000 0.337 245 D C -1.198 175.096 176.300 -0.010 0.000 1.356 245 D CA -0.556 53.447 54.000 0.005 0.000 0.951 245 D CB 0.979 41.790 40.800 0.017 0.000 1.438 245 D HN 0.179 nan 8.370 nan 0.000 0.562 246 L N 3.160 124.380 121.223 -0.005 0.000 2.562 246 L HA 0.277 4.615 4.340 -0.004 0.000 0.271 246 L C -2.058 174.785 176.870 -0.045 0.000 1.167 246 L CA -0.259 54.568 54.840 -0.023 0.000 0.917 246 L CB 0.291 42.341 42.059 -0.015 0.000 1.187 246 L HN 0.143 nan 8.230 nan 0.000 0.482 247 P HA 0.244 nan 4.420 nan 0.000 0.285 247 P C -0.882 176.369 177.300 -0.081 0.000 1.269 247 P CA -0.736 62.330 63.100 -0.057 0.000 0.844 247 P CB 1.366 33.044 31.700 -0.037 0.000 1.094 248 I N 2.126 122.671 120.570 -0.042 0.000 2.396 248 I HA 0.099 4.267 4.170 -0.004 0.000 0.289 248 I C 0.563 176.708 176.117 0.048 0.000 1.056 248 I CA -0.362 60.922 61.300 -0.028 0.000 1.365 248 I CB 0.453 38.533 38.000 0.133 0.000 1.407 248 I HN 0.132 nan 8.210 nan 0.000 0.509 249 V N 6.887 126.779 119.914 -0.037 0.000 2.448 249 V HA 0.620 4.738 4.120 -0.004 0.000 0.295 249 V C -2.494 173.548 176.094 -0.087 0.000 1.025 249 V CA -2.134 60.154 62.300 -0.020 0.000 0.859 249 V CB 1.570 33.358 31.823 -0.058 0.000 0.988 249 V HN 0.518 nan 8.190 nan 0.000 0.431 250 P HA 0.153 nan 4.420 nan 0.000 0.275 250 P C -0.561 176.572 177.300 -0.278 0.000 1.227 250 P CA -0.120 62.736 63.100 -0.407 0.000 0.781 250 P CB 0.914 32.348 31.700 -0.443 0.000 0.906 251 N N 2.245 120.753 118.700 -0.321 0.000 2.520 251 N HA 0.017 4.755 4.740 -0.004 0.000 0.273 251 N C 0.190 175.532 175.510 -0.281 0.000 1.155 251 N CA 0.314 53.209 53.050 -0.259 0.000 0.967 251 N CB 0.208 38.515 38.487 -0.299 0.000 1.092 251 N HN 0.359 nan 8.380 nan 0.000 0.457 252 E N 1.721 121.785 120.200 -0.227 0.000 2.810 252 E HA 0.104 4.452 4.350 -0.004 0.000 0.214 252 E C 0.355 176.829 176.600 -0.211 0.000 0.980 252 E CA -0.091 56.186 56.400 -0.205 0.000 1.159 252 E CB 0.532 30.161 29.700 -0.119 0.000 1.047 252 E HN 0.566 nan 8.360 nan 0.000 0.484 253 K N 0.793 121.045 120.400 -0.248 0.000 2.362 253 K HA 0.006 4.324 4.320 -0.004 0.000 0.200 253 K C 0.616 177.063 176.600 -0.255 0.000 1.046 253 K CA 0.789 56.955 56.287 -0.202 0.000 0.952 253 K CB 0.227 32.632 32.500 -0.160 0.000 0.753 253 K HN -0.125 nan 8.250 nan 0.000 0.466 254 K N 0.396 120.513 120.400 -0.473 0.000 2.267 254 K HA 0.125 4.443 4.320 -0.004 0.000 0.246 254 K C 0.726 176.959 176.600 -0.611 0.000 0.954 254 K CA -0.589 55.315 56.287 -0.640 0.000 0.824 254 K CB 1.021 32.707 32.500 -1.357 0.000 1.167 254 K HN -0.062 nan 8.250 nan 0.000 0.431 255 F N 0.580 120.296 119.950 -0.390 0.000 2.333 255 F HA -0.104 4.421 4.527 -0.003 0.000 0.300 255 F C 1.182 176.901 175.800 -0.135 0.000 1.083 255 F CA 0.673 58.556 58.000 -0.196 0.000 1.395 255 F CB -0.544 38.422 39.000 -0.056 0.000 1.056 255 F HN 0.418 nan 8.300 nan 0.000 0.529 256 F N -0.287 119.147 119.950 -0.861 0.000 2.765 256 F HA 0.439 4.964 4.527 -0.003 0.000 0.302 256 F C 0.380 176.172 175.800 -0.013 0.000 1.111 256 F CA -1.351 56.425 58.000 -0.375 0.000 1.359 256 F CB -1.244 37.551 39.000 -0.341 0.000 1.097 256 F HN -0.127 nan 8.300 nan 0.000 0.577 257 M N 1.972 121.386 119.600 -0.310 0.000 2.216 257 M HA 0.195 4.673 4.480 -0.004 0.000 0.356 257 M C 0.116 176.404 176.300 -0.020 0.000 1.205 257 M CA -0.297 54.928 55.300 -0.124 0.000 1.122 257 M CB 1.389 33.764 32.600 -0.374 0.000 1.571 257 M HN 0.199 nan 8.290 nan 0.000 0.464 258 Q N 1.899 121.746 119.800 0.079 0.000 2.313 258 Q HA 0.185 4.523 4.340 -0.004 0.000 0.266 258 Q C -1.018 175.027 176.000 0.075 0.000 0.989 258 Q CA 0.003 55.883 55.803 0.128 0.000 0.890 258 Q CB 0.853 29.744 28.738 0.255 0.000 1.200 258 Q HN 0.678 nan 8.270 nan 0.000 0.396 259 S N 2.977 118.747 115.700 0.118 0.000 2.480 259 S HA 0.536 5.003 4.470 -0.004 0.000 0.286 259 S C -0.541 174.127 174.600 0.114 0.000 1.180 259 S CA -0.424 57.827 58.200 0.085 0.000 1.075 259 S CB 1.706 64.965 63.200 0.097 0.000 0.996 259 S HN 0.731 nan 8.310 nan 0.000 0.487 260 T N 1.617 116.236 114.554 0.109 0.000 2.769 260 T HA 0.286 4.633 4.350 -0.004 0.000 0.306 260 T C -1.783 172.982 174.700 0.109 0.000 1.400 260 T CA -0.798 61.383 62.100 0.136 0.000 1.007 260 T CB 0.969 70.001 68.868 0.273 0.000 1.392 260 T HN 0.446 nan 8.240 nan 0.000 0.500 261 D N 1.511 121.970 120.400 0.098 0.000 2.357 261 D HA 0.493 5.131 4.640 -0.004 0.000 0.242 261 D C 0.413 176.779 176.300 0.110 0.000 1.153 261 D CA -0.019 54.027 54.000 0.077 0.000 0.918 261 D CB 0.994 41.830 40.800 0.060 0.000 1.181 261 D HN 0.790 nan 8.370 nan 0.000 0.435 262 A N 1.312 124.174 122.820 0.069 0.000 2.483 262 A HA 0.251 4.569 4.320 -0.004 0.000 0.238 262 A C 0.241 177.865 177.584 0.068 0.000 1.070 262 A CA 0.089 52.165 52.037 0.066 0.000 0.770 262 A CB -0.075 18.937 19.000 0.020 0.000 1.008 262 A HN 0.495 nan 8.150 nan 0.000 0.497 263 I N 2.388 123.001 120.570 0.071 0.000 2.355 263 I HA 0.188 4.355 4.170 -0.004 0.000 0.288 263 I C 0.020 176.103 176.117 -0.057 0.000 0.999 263 I CA -0.471 60.829 61.300 -0.000 0.000 1.163 263 I CB 1.483 39.466 38.000 -0.029 0.000 1.316 263 I HN 0.592 nan 8.210 nan 0.000 0.454 264 Q N 3.508 123.259 119.800 -0.081 0.000 2.340 264 Q HA 0.304 4.642 4.340 -0.004 0.000 0.249 264 Q C 1.047 176.949 176.000 -0.163 0.000 0.957 264 Q CA -0.092 55.651 55.803 -0.100 0.000 0.882 264 Q CB 1.648 30.335 28.738 -0.084 0.000 1.235 264 Q HN 0.851 nan 8.270 nan 0.000 0.439 265 A N 2.162 124.857 122.820 -0.208 0.000 1.940 265 A HA -0.216 4.102 4.320 -0.004 0.000 0.219 265 A C 1.736 178.965 177.584 -0.593 0.000 1.176 265 A CA 1.731 53.530 52.037 -0.395 0.000 0.631 265 A CB -0.252 18.482 19.000 -0.443 0.000 0.814 265 A HN 0.806 nan 8.150 nan 0.000 0.446 266 E N 0.403 120.375 120.200 -0.381 0.000 2.160 266 E HA -0.226 4.122 4.350 -0.004 0.000 0.195 266 E C 1.727 178.342 176.600 0.025 0.000 0.991 266 E CA 1.598 57.878 56.400 -0.201 0.000 0.810 266 E CB -0.181 29.494 29.700 -0.043 0.000 0.742 266 E HN 0.791 nan 8.360 nan 0.000 0.466 267 E N 0.098 120.304 120.200 0.009 0.000 2.107 267 E HA -0.091 4.257 4.350 -0.004 0.000 0.191 267 E C 2.358 178.993 176.600 0.058 0.000 0.982 267 E CA 0.742 57.213 56.400 0.118 0.000 0.809 267 E CB -0.007 29.697 29.700 0.006 0.000 0.756 267 E HN 0.283 nan 8.360 nan 0.000 0.459 268 L N 0.111 121.293 121.223 -0.069 0.000 2.109 268 L HA -0.135 4.203 4.340 -0.004 0.000 0.207 268 L C 2.311 179.368 176.870 0.312 0.000 1.086 268 L CA 0.694 55.559 54.840 0.043 0.000 0.760 268 L CB -0.402 41.657 42.059 -0.000 0.000 0.910 268 L HN 0.170 nan 8.230 nan 0.000 0.437 269 Y N 0.554 120.939 120.300 0.142 0.000 2.145 269 Y HA -0.204 4.344 4.550 -0.003 0.000 0.286 269 Y C 2.929 178.912 175.900 0.138 0.000 1.145 269 Y CA 1.115 59.318 58.100 0.172 0.000 1.148 269 Y CB -1.527 36.985 38.460 0.086 0.000 0.981 269 Y HN 0.153 nan 8.280 nan 0.000 0.507 270 T N 0.582 115.305 114.554 0.282 0.000 2.720 270 T HA -0.232 4.115 4.350 -0.004 0.000 0.268 270 T C 1.741 176.486 174.700 0.075 0.000 1.037 270 T CA 1.619 63.754 62.100 0.059 0.000 1.144 270 T CB -0.694 68.018 68.868 -0.260 0.000 0.864 270 T HN 0.289 nan 8.240 nan 0.000 0.444 271 F N 1.335 121.349 119.950 0.108 0.000 2.128 271 F HA 0.276 4.800 4.527 -0.004 0.000 0.295 271 F C 1.582 177.445 175.800 0.105 0.000 1.100 271 F CA 1.201 59.289 58.000 0.146 0.000 1.260 271 F CB -0.611 38.496 39.000 0.178 0.000 1.009 271 F HN 0.396 nan 8.300 nan 0.000 0.476 272 G N -0.389 108.502 108.800 0.152 0.000 2.568 272 G HA2 0.260 4.217 3.960 -0.004 0.000 0.222 272 G HA3 0.260 4.217 3.960 -0.004 0.000 0.222 272 G C 0.702 175.664 174.900 0.103 0.000 1.321 272 G CA 0.007 45.144 45.100 0.060 0.000 0.893 272 G HN 1.550 nan 8.290 nan 0.000 0.569 273 G N -0.996 107.816 108.800 0.020 0.000 2.583 273 G HA2 -0.065 3.893 3.960 -0.004 0.000 0.292 273 G HA3 -0.065 3.893 3.960 -0.004 0.000 0.292 273 G C 1.317 176.298 174.900 0.136 0.000 1.203 273 G CA 2.333 47.475 45.100 0.070 0.000 0.987 273 G HN 2.367 nan 8.290 nan 0.000 0.554 274 Q N -0.323 119.583 119.800 0.177 0.000 2.311 274 Q HA 0.091 4.428 4.340 -0.004 0.000 0.203 274 Q C 1.732 177.851 176.000 0.199 0.000 0.954 274 Q CA 1.647 57.547 55.803 0.162 0.000 0.885 274 Q CB -0.077 28.740 28.738 0.132 0.000 0.963 274 Q HN 0.568 nan 8.270 nan 0.000 0.471 275 D N 2.070 122.632 120.400 0.270 0.000 2.158 275 D HA -0.137 4.501 4.640 -0.004 0.000 0.197 275 D C -0.715 175.743 176.300 0.265 0.000 0.995 275 D CA 1.266 55.434 54.000 0.280 0.000 0.846 275 D CB -1.399 39.585 40.800 0.306 0.000 0.941 275 D HN 0.377 nan 8.370 nan 0.000 0.456 276 P HA -0.014 nan 4.420 nan 0.000 0.222 276 P C 1.158 178.613 177.300 0.258 0.000 1.147 276 P CA 1.017 64.316 63.100 0.332 0.000 0.790 276 P CB 0.072 31.910 31.700 0.230 0.000 0.780 277 S N -1.110 114.712 115.700 0.204 0.000 2.515 277 S HA 0.024 4.492 4.470 -0.004 0.000 0.231 277 S C 1.611 176.329 174.600 0.198 0.000 0.987 277 S CA 0.636 58.954 58.200 0.195 0.000 0.936 277 S CB -0.799 62.513 63.200 0.188 0.000 0.766 277 S HN 0.201 nan 8.310 nan 0.000 0.528 278 I N 1.040 121.731 120.570 0.201 0.000 3.251 278 I HA 0.042 4.210 4.170 -0.004 0.000 0.277 278 I C -0.288 175.973 176.117 0.240 0.000 1.268 278 I CA 0.405 61.827 61.300 0.202 0.000 1.449 278 I CB 0.162 38.262 38.000 0.167 0.000 1.083 278 I HN 0.161 nan 8.210 nan 0.000 0.464 279 I N 2.141 122.853 120.570 0.236 0.000 2.297 279 I HA 0.067 4.235 4.170 -0.004 0.000 0.291 279 I C 1.063 177.321 176.117 0.236 0.000 1.033 279 I CA -0.211 61.229 61.300 0.232 0.000 1.253 279 I CB 0.394 38.561 38.000 0.277 0.000 1.396 279 I HN 0.095 nan 8.210 nan 0.000 0.476 280 T N 5.019 119.707 114.554 0.222 0.000 2.855 280 T HA 0.122 4.470 4.350 -0.004 0.000 0.322 280 T C -1.718 173.077 174.700 0.158 0.000 1.088 280 T CA -0.799 61.406 62.100 0.175 0.000 1.104 280 T CB 0.617 69.582 68.868 0.161 0.000 0.996 280 T HN 0.323 nan 8.240 nan 0.000 0.549 281 P HA -0.042 nan 4.420 nan 0.000 0.218 281 P C 1.804 179.152 177.300 0.080 0.000 1.148 281 P CA 0.929 64.094 63.100 0.108 0.000 0.822 281 P CB -0.064 31.689 31.700 0.088 0.000 0.784 282 S N -1.064 114.676 115.700 0.066 0.000 2.353 282 S HA -0.145 4.323 4.470 -0.004 0.000 0.222 282 S C 1.922 176.574 174.600 0.086 0.000 1.035 282 S CA 1.944 60.176 58.200 0.053 0.000 1.025 282 S CB -1.444 61.784 63.200 0.045 0.000 0.902 282 S HN 0.254 nan 8.310 nan 0.000 0.440 283 T N 2.126 116.749 114.554 0.115 0.000 2.867 283 T HA -0.071 4.277 4.350 -0.004 0.000 0.268 283 T C 1.354 176.167 174.700 0.188 0.000 1.057 283 T CA 1.030 63.208 62.100 0.129 0.000 1.136 283 T CB -0.409 68.531 68.868 0.118 0.000 0.874 283 T HN 0.298 nan 8.240 nan 0.000 0.466 284 D N 1.420 121.959 120.400 0.232 0.000 2.097 284 D HA -0.059 4.578 4.640 -0.004 0.000 0.195 284 D C 2.161 178.634 176.300 0.287 0.000 0.989 284 D CA 1.135 55.338 54.000 0.339 0.000 0.827 284 D CB -0.094 40.880 40.800 0.290 0.000 0.966 284 D HN 0.367 nan 8.370 nan 0.000 0.456 285 K N 0.464 120.964 120.400 0.167 0.000 2.148 285 K HA -0.052 4.266 4.320 -0.004 0.000 0.204 285 K C 2.222 178.922 176.600 0.166 0.000 1.050 285 K CA 0.666 57.028 56.287 0.125 0.000 0.942 285 K CB -0.083 32.434 32.500 0.029 0.000 0.724 285 K HN -0.071 nan 8.250 nan 0.000 0.446 286 S N 1.154 116.936 115.700 0.138 0.000 2.368 286 S HA -0.103 4.365 4.470 -0.004 0.000 0.225 286 S C 1.910 176.590 174.600 0.133 0.000 1.030 286 S CA 0.966 59.233 58.200 0.112 0.000 0.999 286 S CB -0.133 63.119 63.200 0.088 0.000 0.844 286 S HN 0.192 nan 8.310 nan 0.000 0.459 287 I N -0.059 120.623 120.570 0.187 0.000 2.286 287 I HA -0.098 4.069 4.170 -0.004 0.000 0.245 287 I C 2.230 178.471 176.117 0.206 0.000 1.104 287 I CA 1.394 62.818 61.300 0.207 0.000 1.397 287 I CB -0.476 37.697 38.000 0.289 0.000 1.072 287 I HN 0.393 nan 8.210 nan 0.000 0.417 288 Y N 2.162 122.498 120.300 0.061 0.000 2.097 288 Y HA -0.354 4.194 4.550 -0.003 0.000 0.282 288 Y C 2.207 178.024 175.900 -0.139 0.000 1.152 288 Y CA 2.034 60.003 58.100 -0.218 0.000 1.136 288 Y CB -0.303 38.042 38.460 -0.191 0.000 0.975 288 Y HN 0.191 nan 8.280 nan 0.000 0.498 289 D N 0.086 120.555 120.400 0.116 0.000 2.123 289 D HA -0.176 4.462 4.640 -0.004 0.000 0.196 289 D C 2.047 178.306 176.300 -0.069 0.000 0.992 289 D CA 1.619 55.624 54.000 0.008 0.000 0.833 289 D CB -0.241 40.598 40.800 0.066 0.000 0.954 289 D HN 0.408 nan 8.370 nan 0.000 0.455 290 K N 0.190 120.582 120.400 -0.013 0.000 2.057 290 K HA -0.065 4.253 4.320 -0.004 0.000 0.207 290 K C 2.164 178.748 176.600 -0.028 0.000 1.049 290 K CA 0.595 56.880 56.287 -0.003 0.000 0.931 290 K CB -0.056 32.470 32.500 0.045 0.000 0.714 290 K HN 0.000 nan 8.250 nan 0.000 0.440 291 V N 1.614 121.497 119.914 -0.053 0.000 2.358 291 V HA -0.224 3.894 4.120 -0.004 0.000 0.246 291 V C 2.161 178.126 176.094 -0.216 0.000 1.047 291 V CA 1.308 63.564 62.300 -0.073 0.000 1.035 291 V CB -0.385 31.414 31.823 -0.041 0.000 0.658 291 V HN 0.269 nan 8.190 nan 0.000 0.452 292 L N 0.351 121.359 121.223 -0.358 0.000 2.012 292 L HA -0.200 4.138 4.340 -0.004 0.000 0.210 292 L C 2.436 179.105 176.870 -0.334 0.000 1.073 292 L CA 2.295 56.742 54.840 -0.654 0.000 0.748 292 L CB -1.010 40.557 42.059 -0.820 0.000 0.891 292 L HN 0.362 nan 8.230 nan 0.000 0.431 293 Q N -0.090 119.588 119.800 -0.202 0.000 2.096 293 Q HA -0.219 4.119 4.340 -0.004 0.000 0.204 293 Q C 2.052 178.012 176.000 -0.067 0.000 0.982 293 Q CA 2.040 57.772 55.803 -0.118 0.000 0.850 293 Q CB -0.429 28.265 28.738 -0.073 0.000 0.901 293 Q HN 0.589 nan 8.270 nan 0.000 0.422 294 N N -0.610 118.085 118.700 -0.008 0.000 2.069 294 N HA -0.140 4.598 4.740 -0.004 0.000 0.191 294 N C 1.356 176.910 175.510 0.074 0.000 1.031 294 N CA 1.217 54.289 53.050 0.037 0.000 0.852 294 N CB -0.458 38.119 38.487 0.150 0.000 1.018 294 N HN 0.248 nan 8.380 nan 0.000 0.423 295 F N 1.600 121.469 119.950 -0.136 0.000 2.234 295 F HA 0.025 4.550 4.527 -0.003 0.000 0.299 295 F C 2.269 177.952 175.800 -0.195 0.000 1.087 295 F CA 0.588 58.532 58.000 -0.094 0.000 1.340 295 F CB -0.451 38.627 39.000 0.131 0.000 1.031 295 F HN 0.004 nan 8.300 nan 0.000 0.500 296 R N -0.293 120.175 120.500 -0.052 0.000 2.081 296 R HA -0.123 4.215 4.340 -0.004 0.000 0.235 296 R C 2.571 178.744 176.300 -0.211 0.000 1.131 296 R CA 1.242 57.240 56.100 -0.170 0.000 0.960 296 R CB -1.155 29.053 30.300 -0.154 0.000 0.856 296 R HN 0.377 nan 8.270 nan 0.000 0.436 297 G N 1.607 110.285 108.800 -0.204 0.000 2.421 297 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.216 297 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.216 297 G C 1.388 176.076 174.900 -0.355 0.000 1.171 297 G CA 0.430 45.384 45.100 -0.243 0.000 0.775 297 G HN 0.060 nan 8.290 nan 0.000 0.543 298 I N 0.816 121.085 120.570 -0.502 0.000 2.208 298 I HA -0.114 4.054 4.170 -0.004 0.000 0.245 298 I C 2.863 178.740 176.117 -0.400 0.000 1.097 298 I CA 0.778 61.684 61.300 -0.657 0.000 1.363 298 I CB -1.253 36.166 38.000 -0.968 0.000 1.051 298 I HN 0.100 nan 8.210 nan 0.000 0.413 299 V N 1.211 120.856 119.914 -0.447 0.000 2.626 299 V HA -0.272 3.845 4.120 -0.004 0.000 0.252 299 V C 2.187 178.097 176.094 -0.307 0.000 1.067 299 V CA 2.312 64.229 62.300 -0.638 0.000 1.081 299 V CB -0.372 30.733 31.823 -1.197 0.000 0.686 299 V HN 0.379 nan 8.190 nan 0.000 0.468 300 D N -0.303 119.950 120.400 -0.244 0.000 2.123 300 D HA -0.159 4.479 4.640 -0.004 0.000 0.200 300 D C 2.338 178.586 176.300 -0.087 0.000 0.976 300 D CA 1.354 55.270 54.000 -0.140 0.000 0.831 300 D CB -0.130 40.593 40.800 -0.128 0.000 0.974 300 D HN 0.377 nan 8.370 nan 0.000 0.469 301 R N -0.284 120.148 120.500 -0.114 0.000 2.091 301 R HA -0.046 4.291 4.340 -0.004 0.000 0.238 301 R C 2.460 178.782 176.300 0.037 0.000 1.136 301 R CA 0.936 57.012 56.100 -0.039 0.000 0.959 301 R CB -0.345 29.907 30.300 -0.080 0.000 0.856 301 R HN 0.298 nan 8.270 nan 0.000 0.437 302 L N 0.819 122.066 121.223 0.040 0.000 2.191 302 L HA -0.161 4.177 4.340 -0.004 0.000 0.212 302 L C 1.641 178.610 176.870 0.165 0.000 1.103 302 L CA 0.861 55.755 54.840 0.089 0.000 0.769 302 L CB -0.401 41.599 42.059 -0.098 0.000 0.908 302 L HN 0.264 nan 8.230 nan 0.000 0.438 303 N N 0.120 118.907 118.700 0.144 0.000 2.416 303 N HA -0.069 4.668 4.740 -0.004 0.000 0.177 303 N C 1.415 176.971 175.510 0.076 0.000 1.036 303 N CA 0.883 54.031 53.050 0.164 0.000 0.901 303 N CB 0.275 38.816 38.487 0.090 0.000 0.976 303 N HN 0.395 nan 8.380 nan 0.000 0.444 304 K N 0.013 120.433 120.400 0.033 0.000 2.360 304 K HA 0.157 4.475 4.320 -0.004 0.000 0.196 304 K C 0.254 176.832 176.600 -0.038 0.000 1.049 304 K CA -0.134 56.152 56.287 -0.002 0.000 1.049 304 K CB 1.235 33.727 32.500 -0.013 0.000 0.881 304 K HN -0.141 nan 8.250 nan 0.000 0.542 305 V N 2.182 122.055 119.914 -0.069 0.000 2.599 305 V HA -0.036 4.082 4.120 -0.004 0.000 0.300 305 V C 0.614 176.602 176.094 -0.177 0.000 1.034 305 V CA 0.728 62.893 62.300 -0.225 0.000 1.115 305 V CB 0.417 31.945 31.823 -0.491 0.000 0.934 305 V HN 0.245 nan 8.190 nan 0.000 0.485 306 L N 6.380 127.492 121.223 -0.185 0.000 2.806 306 L HA 0.372 4.710 4.340 -0.004 0.000 0.242 306 L C -0.013 176.799 176.870 -0.097 0.000 1.068 306 L CA 0.546 55.324 54.840 -0.102 0.000 0.923 306 L CB 1.063 43.087 42.059 -0.057 0.000 1.364 306 L HN 0.650 nan 8.230 nan 0.000 0.511 307 V N -4.153 115.683 119.914 -0.131 0.000 3.216 307 V HA 0.459 4.577 4.120 -0.004 0.000 0.302 307 V C -1.423 174.640 176.094 -0.051 0.000 1.286 307 V CA -1.316 60.945 62.300 -0.065 0.000 1.048 307 V CB 2.041 33.848 31.823 -0.026 0.000 1.081 307 V HN 0.059 nan 8.190 nan 0.000 0.442 308 C N 5.838 125.160 119.300 0.037 0.000 2.301 308 C HA 0.607 5.065 4.460 -0.004 0.000 0.313 308 C C 1.748 176.769 174.990 0.052 0.000 1.121 308 C CA -0.328 58.748 59.018 0.096 0.000 1.507 308 C CB -0.729 27.104 27.740 0.155 0.000 1.975 308 C HN 0.992 nan 8.230 nan 0.000 0.425 309 I N 4.430 125.021 120.570 0.035 0.000 2.179 309 I HA -0.053 4.114 4.170 -0.004 0.000 0.242 309 I C 2.142 178.269 176.117 0.017 0.000 1.088 309 I CA 2.449 63.761 61.300 0.019 0.000 1.357 309 I CB -1.878 36.128 38.000 0.010 0.000 1.051 309 I HN 0.706 nan 8.210 nan 0.000 0.409 310 S N 0.584 116.295 115.700 0.019 0.000 2.419 310 S HA -0.181 4.287 4.470 -0.004 0.000 0.233 310 S C 0.739 175.341 174.600 0.004 0.000 1.016 310 S CA 1.124 59.326 58.200 0.004 0.000 0.974 310 S CB -0.572 62.627 63.200 -0.001 0.000 0.786 310 S HN 0.697 nan 8.310 nan 0.000 0.492 311 D N 0.575 120.988 120.400 0.023 0.000 2.319 311 D HA 0.410 5.048 4.640 -0.004 0.000 0.237 311 D C -2.600 173.724 176.300 0.039 0.000 1.353 311 D CA -2.043 51.972 54.000 0.025 0.000 0.992 311 D CB 1.642 42.461 40.800 0.033 0.000 1.368 311 D HN -0.135 nan 8.370 nan 0.000 0.564 312 P HA -0.054 nan 4.420 nan 0.000 0.220 312 P C 0.678 178.006 177.300 0.046 0.000 1.144 312 P CA 0.886 64.007 63.100 0.035 0.000 0.800 312 P CB 0.153 31.867 31.700 0.024 0.000 0.772 313 N N -1.210 117.520 118.700 0.049 0.000 2.398 313 N HA 0.036 4.773 4.740 -0.004 0.000 0.188 313 N C -0.125 175.438 175.510 0.089 0.000 1.122 313 N CA -0.257 52.829 53.050 0.061 0.000 0.866 313 N CB 0.046 38.564 38.487 0.052 0.000 0.970 313 N HN -0.076 nan 8.380 nan 0.000 0.462 314 I N 1.899 122.524 120.570 0.093 0.000 2.436 314 I HA -0.021 4.146 4.170 -0.004 0.000 0.289 314 I C 0.288 176.490 176.117 0.143 0.000 1.083 314 I CA -0.066 61.299 61.300 0.110 0.000 1.372 314 I CB 0.200 38.212 38.000 0.020 0.000 1.408 314 I HN 0.138 nan 8.210 nan 0.000 0.516 315 N N 7.909 126.722 118.700 0.190 0.000 2.399 315 N HA 0.045 4.783 4.740 -0.004 0.000 0.259 315 N C 1.052 176.715 175.510 0.255 0.000 1.160 315 N CA -0.278 52.878 53.050 0.177 0.000 0.946 315 N CB 0.703 39.271 38.487 0.135 0.000 1.156 315 N HN 0.343 nan 8.380 nan 0.000 0.489 316 I N 2.650 123.361 120.570 0.234 0.000 2.208 316 I HA -0.288 3.880 4.170 -0.004 0.000 0.245 316 I C 1.576 177.872 176.117 0.299 0.000 1.097 316 I CA 0.936 62.426 61.300 0.316 0.000 1.363 316 I CB -0.857 37.254 38.000 0.184 0.000 1.051 316 I HN 0.537 nan 8.210 nan 0.000 0.413 317 N N 1.092 119.909 118.700 0.194 0.000 2.084 317 N HA -0.134 4.604 4.740 -0.004 0.000 0.190 317 N C 1.926 177.509 175.510 0.121 0.000 1.030 317 N CA 1.110 54.256 53.050 0.160 0.000 0.849 317 N CB -0.221 38.333 38.487 0.111 0.000 1.012 317 N HN 0.235 nan 8.380 nan 0.000 0.423 318 I N 0.643 121.259 120.570 0.077 0.000 2.151 318 I HA -0.282 3.885 4.170 -0.004 0.000 0.243 318 I C 1.942 177.936 176.117 -0.205 0.000 1.080 318 I CA 1.337 62.599 61.300 -0.064 0.000 1.339 318 I CB -1.178 36.762 38.000 -0.099 0.000 1.039 318 I HN 0.111 nan 8.210 nan 0.000 0.409 319 Y N 1.093 121.293 120.300 -0.165 0.000 2.242 319 Y HA -0.161 4.387 4.550 -0.004 0.000 0.291 319 Y C 2.621 178.372 175.900 -0.249 0.000 1.137 319 Y CA 1.361 59.206 58.100 -0.425 0.000 1.181 319 Y CB -0.373 37.777 38.460 -0.517 0.000 0.989 319 Y HN 0.113 nan 8.280 nan 0.000 0.527 320 K N -0.048 120.497 120.400 0.243 0.000 2.057 320 K HA -0.180 4.138 4.320 -0.004 0.000 0.207 320 K C 1.703 178.374 176.600 0.118 0.000 1.049 320 K CA 1.519 57.964 56.287 0.264 0.000 0.931 320 K CB -0.186 32.495 32.500 0.303 0.000 0.714 320 K HN 0.282 nan 8.250 nan 0.000 0.440 321 N N 1.158 119.908 118.700 0.083 0.000 2.120 321 N HA -0.176 4.561 4.740 -0.004 0.000 0.188 321 N C 1.648 177.137 175.510 -0.036 0.000 1.024 321 N CA 1.214 54.301 53.050 0.062 0.000 0.852 321 N CB -0.192 38.310 38.487 0.026 0.000 1.003 321 N HN 0.042 nan 8.380 nan 0.000 0.424 322 K N 0.680 120.956 120.400 -0.207 0.000 2.057 322 K HA 0.072 4.390 4.320 -0.004 0.000 0.206 322 K C 1.837 178.302 176.600 -0.225 0.000 1.050 322 K CA 1.099 57.189 56.287 -0.328 0.000 0.935 322 K CB -0.533 31.582 32.500 -0.642 0.000 0.715 322 K HN 0.177 nan 8.250 nan 0.000 0.439 323 F N 0.934 120.866 119.950 -0.030 0.000 2.234 323 F HA -0.082 4.443 4.527 -0.004 0.000 0.299 323 F C 2.315 178.132 175.800 0.028 0.000 1.087 323 F CA 0.778 58.812 58.000 0.057 0.000 1.340 323 F CB -0.075 39.065 39.000 0.234 0.000 1.031 323 F HN 0.073 nan 8.300 nan 0.000 0.500 324 K N 0.631 121.132 120.400 0.168 0.000 2.057 324 K HA -0.253 4.065 4.320 -0.004 0.000 0.207 324 K C 1.894 178.536 176.600 0.071 0.000 1.049 324 K CA 1.940 58.315 56.287 0.147 0.000 0.931 324 K CB -0.372 32.261 32.500 0.222 0.000 0.714 324 K HN 0.207 nan 8.250 nan 0.000 0.440 325 D N 0.863 121.286 120.400 0.037 0.000 2.137 325 D HA -0.160 4.478 4.640 -0.004 0.000 0.202 325 D C 1.879 178.149 176.300 -0.051 0.000 0.970 325 D CA 0.924 54.929 54.000 0.009 0.000 0.837 325 D CB 0.119 40.916 40.800 -0.006 0.000 0.981 325 D HN 0.220 nan 8.370 nan 0.000 0.475 326 K N -0.354 119.970 120.400 -0.127 0.000 2.020 326 K HA -0.215 4.103 4.320 -0.004 0.000 0.212 326 K C 1.664 178.058 176.600 -0.344 0.000 1.050 326 K CA 1.431 57.555 56.287 -0.272 0.000 0.929 326 K CB -0.282 31.921 32.500 -0.495 0.000 0.714 326 K HN 0.220 nan 8.250 nan 0.000 0.443 327 Y N 0.744 120.833 120.300 -0.352 0.000 2.466 327 Y HA 0.161 4.709 4.550 -0.004 0.000 0.272 327 Y C 0.004 175.674 175.900 -0.382 0.000 1.169 327 Y CA -0.188 57.551 58.100 -0.601 0.000 1.285 327 Y CB 0.575 38.069 38.460 -1.609 0.000 1.078 327 Y HN -0.017 nan 8.280 nan 0.000 0.523 328 K N -0.072 120.290 120.400 -0.064 0.000 3.071 328 K HA -0.218 4.100 4.320 -0.004 0.000 0.265 328 K C -0.572 176.197 176.600 0.281 0.000 1.060 328 K CA 0.547 56.907 56.287 0.121 0.000 0.767 328 K CB -2.411 30.200 32.500 0.185 0.000 1.241 328 K HN 0.435 nan 8.250 nan 0.000 0.486 329 F N -0.192 119.911 119.950 0.255 0.000 2.406 329 F HA 0.235 4.760 4.527 -0.004 0.000 0.327 329 F C 1.677 177.619 175.800 0.237 0.000 1.153 329 F CA -1.100 57.044 58.000 0.241 0.000 1.218 329 F CB 0.736 39.867 39.000 0.218 0.000 1.215 329 F HN -0.095 nan 8.300 nan 0.000 0.570 330 V N -0.387 119.779 119.914 0.421 0.000 2.732 330 V HA 0.576 4.694 4.120 -0.004 0.000 0.310 330 V C -0.801 175.438 176.094 0.242 0.000 1.053 330 V CA -0.776 61.691 62.300 0.278 0.000 0.957 330 V CB 1.719 33.655 31.823 0.190 0.000 1.018 330 V HN 0.854 nan 8.190 nan 0.000 0.452 331 E N 1.805 122.096 120.200 0.151 0.000 2.234 331 E HA 0.450 4.798 4.350 -0.004 0.000 0.266 331 E C -1.236 175.352 176.600 -0.019 0.000 0.877 331 E CA -0.698 55.708 56.400 0.009 0.000 0.758 331 E CB 2.071 31.761 29.700 -0.016 0.000 1.170 331 E HN 0.989 nan 8.360 nan 0.000 0.415 332 D N 1.973 122.333 120.400 -0.067 0.000 2.433 332 D HA 0.031 4.669 4.640 -0.004 0.000 0.255 332 D C 1.079 177.349 176.300 -0.049 0.000 1.226 332 D CA 0.004 53.979 54.000 -0.040 0.000 1.015 332 D CB 0.839 41.615 40.800 -0.040 0.000 1.091 332 D HN 0.368 nan 8.370 nan 0.000 0.527 333 S N -0.935 114.749 115.700 -0.027 0.000 2.440 333 S HA -0.240 4.228 4.470 -0.004 0.000 0.238 333 S C 1.294 175.874 174.600 -0.034 0.000 1.010 333 S CA 1.123 59.310 58.200 -0.022 0.000 0.972 333 S CB -0.664 62.530 63.200 -0.010 0.000 0.774 333 S HN 0.609 nan 8.310 nan 0.000 0.501 334 E N 0.902 121.072 120.200 -0.050 0.000 2.102 334 E HA 0.291 4.638 4.350 -0.004 0.000 0.190 334 E C 1.439 177.987 176.600 -0.086 0.000 0.971 334 E CA 0.449 56.816 56.400 -0.054 0.000 0.821 334 E CB -0.120 29.551 29.700 -0.050 0.000 0.777 334 E HN 0.691 nan 8.360 nan 0.000 0.460 335 G N 1.455 110.163 108.800 -0.154 0.000 2.276 335 G HA2 -0.154 3.804 3.960 -0.004 0.000 0.177 335 G HA3 -0.154 3.804 3.960 -0.004 0.000 0.177 335 G C -0.170 174.448 174.900 -0.470 0.000 1.017 335 G CA -0.467 44.466 45.100 -0.278 0.000 0.750 335 G HN -0.014 nan 8.290 nan 0.000 0.506 336 K N 1.283 121.497 120.400 -0.310 0.000 2.312 336 K HA 0.607 4.925 4.320 -0.004 0.000 0.287 336 K C -0.274 176.155 176.600 -0.286 0.000 1.062 336 K CA -0.512 55.629 56.287 -0.243 0.000 0.934 336 K CB -0.078 32.359 32.500 -0.106 0.000 1.027 336 K HN 0.225 nan 8.250 nan 0.000 0.478 337 Y N 1.861 122.162 120.300 0.002 0.000 2.320 337 Y HA 0.375 4.922 4.550 -0.004 0.000 0.324 337 Y C 0.732 176.566 175.900 -0.109 0.000 1.190 337 Y CA -0.081 58.011 58.100 -0.013 0.000 1.215 337 Y CB 1.615 40.077 38.460 0.004 0.000 1.221 337 Y HN 0.724 nan 8.280 nan 0.000 0.486 338 S N 1.232 116.960 115.700 0.047 0.000 2.596 338 S HA 0.638 5.106 4.470 -0.004 0.000 0.270 338 S C -1.286 173.281 174.600 -0.055 0.000 1.155 338 S CA -1.051 57.108 58.200 -0.069 0.000 0.827 338 S CB 1.078 64.268 63.200 -0.016 0.000 1.130 338 S HN 0.524 nan 8.310 nan 0.000 0.467 339 I N 2.046 122.567 120.570 -0.081 0.000 2.371 339 I HA 0.258 4.426 4.170 -0.004 0.000 0.290 339 I C -0.193 175.996 176.117 0.120 0.000 1.028 339 I CA -0.152 61.185 61.300 0.062 0.000 1.345 339 I CB 0.751 38.734 38.000 -0.029 0.000 1.407 339 I HN 0.684 nan 8.210 nan 0.000 0.501 340 D N 6.591 127.127 120.400 0.226 0.000 2.396 340 D HA 0.112 4.750 4.640 -0.004 0.000 0.225 340 D C 1.013 177.454 176.300 0.234 0.000 1.121 340 D CA -0.352 53.766 54.000 0.198 0.000 0.853 340 D CB 1.742 42.672 40.800 0.215 0.000 1.043 340 D HN 0.274 nan 8.370 nan 0.000 0.500 341 V N 4.573 124.593 119.914 0.177 0.000 2.317 341 V HA -0.311 3.807 4.120 -0.004 0.000 0.251 341 V C 2.050 178.311 176.094 0.279 0.000 1.065 341 V CA 1.904 64.332 62.300 0.213 0.000 1.049 341 V CB -0.425 31.486 31.823 0.147 0.000 0.651 341 V HN 0.549 nan 8.190 nan 0.000 0.450 342 E N 0.804 121.134 120.200 0.215 0.000 2.047 342 E HA -0.157 4.191 4.350 -0.004 0.000 0.191 342 E C 2.435 179.170 176.600 0.225 0.000 0.987 342 E CA 1.631 58.152 56.400 0.201 0.000 0.799 342 E CB -0.513 29.276 29.700 0.149 0.000 0.752 342 E HN 0.780 nan 8.360 nan 0.000 0.449 343 S N 0.135 115.977 115.700 0.237 0.000 2.383 343 S HA -0.165 4.303 4.470 -0.004 0.000 0.227 343 S C 2.011 176.775 174.600 0.274 0.000 1.026 343 S CA 0.797 59.138 58.200 0.235 0.000 0.981 343 S CB -0.567 62.775 63.200 0.237 0.000 0.818 343 S HN 0.332 nan 8.310 nan 0.000 0.472 344 F N 2.937 123.010 119.950 0.205 0.000 2.113 344 F HA -0.024 4.501 4.527 -0.003 0.000 0.297 344 F C 1.963 177.869 175.800 0.178 0.000 1.103 344 F CA 1.738 59.858 58.000 0.200 0.000 1.248 344 F CB -0.802 38.293 39.000 0.159 0.000 0.999 344 F HN 0.214 nan 8.300 nan 0.000 0.475 345 D N 0.263 120.811 120.400 0.246 0.000 2.106 345 D HA -0.260 4.378 4.640 -0.004 0.000 0.191 345 D C 2.302 178.682 176.300 0.133 0.000 0.997 345 D CA 1.872 56.004 54.000 0.221 0.000 0.834 345 D CB -0.247 40.739 40.800 0.310 0.000 0.956 345 D HN 0.297 nan 8.370 nan 0.000 0.448 346 K N -0.538 119.955 120.400 0.154 0.000 2.057 346 K HA -0.162 4.155 4.320 -0.004 0.000 0.207 346 K C 2.134 178.723 176.600 -0.018 0.000 1.049 346 K CA 0.910 57.302 56.287 0.175 0.000 0.931 346 K CB -0.265 32.358 32.500 0.205 0.000 0.714 346 K HN 0.144 nan 8.250 nan 0.000 0.440 347 L N 0.557 121.744 121.223 -0.060 0.000 2.017 347 L HA -0.190 4.148 4.340 -0.004 0.000 0.208 347 L C 2.148 178.840 176.870 -0.296 0.000 1.073 347 L CA 1.742 56.492 54.840 -0.151 0.000 0.745 347 L CB -0.893 41.145 42.059 -0.035 0.000 0.894 347 L HN 0.256 nan 8.230 nan 0.000 0.432 348 Y N 0.629 120.614 120.300 -0.524 0.000 2.097 348 Y HA -0.306 4.241 4.550 -0.004 0.000 0.282 348 Y C 2.472 178.078 175.900 -0.490 0.000 1.152 348 Y CA 2.359 60.107 58.100 -0.587 0.000 1.136 348 Y CB -0.213 37.790 38.460 -0.761 0.000 0.975 348 Y HN 0.193 nan 8.280 nan 0.000 0.498 349 K N -0.576 119.669 120.400 -0.258 0.000 2.097 349 K HA -0.143 4.174 4.320 -0.004 0.000 0.206 349 K C 2.330 178.494 176.600 -0.727 0.000 1.049 349 K CA 1.440 57.570 56.287 -0.261 0.000 0.933 349 K CB -0.273 32.400 32.500 0.288 0.000 0.717 349 K HN 0.206 nan 8.250 nan 0.000 0.442 350 S N 1.429 116.512 115.700 -1.029 0.000 2.356 350 S HA -0.076 4.392 4.470 -0.004 0.000 0.223 350 S C 1.915 176.146 174.600 -0.615 0.000 1.032 350 S CA 1.096 58.542 58.200 -1.256 0.000 1.005 350 S CB -0.166 62.522 63.200 -0.853 0.000 0.867 350 S HN 0.196 nan 8.310 nan 0.000 0.449 351 L N 0.364 121.299 121.223 -0.480 0.000 2.109 351 L HA -0.005 4.333 4.340 -0.004 0.000 0.207 351 L C 2.292 178.981 176.870 -0.302 0.000 1.086 351 L CA 0.778 55.452 54.840 -0.277 0.000 0.760 351 L CB -0.334 41.511 42.059 -0.356 0.000 0.910 351 L HN 0.329 nan 8.230 nan 0.000 0.437 352 M N -1.794 117.333 119.600 -0.788 0.000 2.486 352 M HA 0.079 4.557 4.480 -0.004 0.000 0.264 352 M C 1.544 177.338 176.300 -0.843 0.000 1.125 352 M CA 1.363 56.056 55.300 -1.012 0.000 1.144 352 M CB -0.266 31.217 32.600 -1.861 0.000 1.353 352 M HN 0.153 nan 8.290 nan 0.000 0.466 353 F N -1.758 118.011 119.950 -0.303 0.000 2.784 353 F HA 0.350 4.875 4.527 -0.002 0.000 0.323 353 F C 2.080 177.807 175.800 -0.123 0.000 1.085 353 F CA -0.125 57.760 58.000 -0.191 0.000 1.196 353 F CB -0.216 38.692 39.000 -0.153 0.000 1.053 353 F HN 0.111 nan 8.300 nan 0.000 0.578 354 G N 0.646 109.356 108.800 -0.150 0.000 2.471 354 G HA2 -0.010 3.948 3.960 -0.004 0.000 0.211 354 G HA3 -0.010 3.948 3.960 -0.004 0.000 0.211 354 G C 0.170 174.907 174.900 -0.272 0.000 1.194 354 G CA -0.004 44.965 45.100 -0.218 0.000 0.816 354 G HN 0.126 nan 8.290 nan 0.000 0.545 355 F N 2.774 122.642 119.950 -0.136 0.000 2.464 355 F HA 0.410 4.935 4.527 -0.003 0.000 0.353 355 F C 0.823 176.548 175.800 -0.126 0.000 1.191 355 F CA -0.260 57.661 58.000 -0.131 0.000 1.147 355 F CB 0.562 39.453 39.000 -0.181 0.000 1.294 355 F HN 0.045 nan 8.300 nan 0.000 0.583 356 T N -1.848 112.725 114.554 0.032 0.000 2.901 356 T HA 0.270 4.618 4.350 -0.004 0.000 0.293 356 T C 0.734 175.379 174.700 -0.092 0.000 1.084 356 T CA -0.852 61.229 62.100 -0.032 0.000 1.008 356 T CB 1.991 70.842 68.868 -0.028 0.000 1.170 356 T HN 0.529 nan 8.240 nan 0.000 0.509 357 E N 0.630 120.737 120.200 -0.155 0.000 2.077 357 E HA -0.144 4.204 4.350 -0.004 0.000 0.193 357 E C 1.663 178.101 176.600 -0.270 0.000 0.989 357 E CA 1.715 58.008 56.400 -0.178 0.000 0.800 357 E CB -0.359 29.261 29.700 -0.133 0.000 0.746 357 E HN 0.779 nan 8.360 nan 0.000 0.452 358 T N 1.294 115.599 114.554 -0.414 0.000 2.684 358 T HA -0.151 4.197 4.350 -0.004 0.000 0.267 358 T C 1.597 176.199 174.700 -0.162 0.000 1.036 358 T CA 1.497 63.389 62.100 -0.347 0.000 1.148 358 T CB -0.344 68.312 68.868 -0.353 0.000 0.863 358 T HN 0.173 nan 8.240 nan 0.000 0.436 359 N N 0.995 119.630 118.700 -0.108 0.000 2.120 359 N HA 0.043 4.781 4.740 -0.004 0.000 0.188 359 N C 1.869 177.375 175.510 -0.005 0.000 1.024 359 N CA 0.864 53.887 53.050 -0.045 0.000 0.852 359 N CB -0.451 38.015 38.487 -0.034 0.000 1.003 359 N HN 0.393 nan 8.380 nan 0.000 0.424 360 I N 0.714 121.278 120.570 -0.010 0.000 2.252 360 I HA -0.211 3.957 4.170 -0.004 0.000 0.245 360 I C 2.238 178.398 176.117 0.072 0.000 1.102 360 I CA 0.876 62.203 61.300 0.045 0.000 1.385 360 I CB -0.360 37.609 38.000 -0.052 0.000 1.064 360 I HN 0.067 nan 8.210 nan 0.000 0.414 361 A N 0.372 123.178 122.820 -0.023 0.000 1.883 361 A HA -0.259 4.059 4.320 -0.004 0.000 0.217 361 A C 2.341 179.955 177.584 0.049 0.000 1.186 361 A CA 1.763 53.790 52.037 -0.016 0.000 0.624 361 A CB -0.598 18.332 19.000 -0.117 0.000 0.822 361 A HN 0.377 nan 8.150 nan 0.000 0.444 362 E N 0.262 120.476 120.200 0.023 0.000 2.058 362 E HA -0.245 4.103 4.350 -0.004 0.000 0.194 362 E C 1.901 178.553 176.600 0.087 0.000 0.997 362 E CA 1.750 58.180 56.400 0.050 0.000 0.801 362 E CB -0.415 29.295 29.700 0.018 0.000 0.746 362 E HN 0.627 nan 8.360 nan 0.000 0.450 363 N N -0.798 117.965 118.700 0.104 0.000 2.166 363 N HA -0.169 4.568 4.740 -0.004 0.000 0.186 363 N C 1.308 176.861 175.510 0.072 0.000 1.019 363 N CA 1.139 54.243 53.050 0.090 0.000 0.856 363 N CB -0.213 38.348 38.487 0.123 0.000 0.993 363 N HN 0.129 nan 8.380 nan 0.000 0.426 364 Y N 0.465 120.775 120.300 0.016 0.000 2.466 364 Y HA 0.274 4.822 4.550 -0.004 0.000 0.272 364 Y C 0.171 176.106 175.900 0.059 0.000 1.169 364 Y CA 0.101 58.215 58.100 0.024 0.000 1.285 364 Y CB 0.102 38.571 38.460 0.016 0.000 1.078 364 Y HN -0.069 nan 8.280 nan 0.000 0.523 365 K N 0.304 120.831 120.400 0.212 0.000 3.125 365 K HA -0.205 4.112 4.320 -0.004 0.000 0.268 365 K C -0.736 176.079 176.600 0.359 0.000 1.078 365 K CA 0.456 56.909 56.287 0.277 0.000 0.775 365 K CB -2.112 30.496 32.500 0.181 0.000 1.253 365 K HN 0.295 nan 8.250 nan 0.000 0.486 366 I N 0.805 121.492 120.570 0.196 0.000 2.412 366 I HA 0.212 4.380 4.170 -0.004 0.000 0.296 366 I C 0.443 176.411 176.117 -0.248 0.000 0.987 366 I CA -0.849 60.498 61.300 0.077 0.000 1.180 366 I CB 1.649 39.704 38.000 0.092 0.000 1.340 366 I HN 0.052 nan 8.210 nan 0.000 0.455 367 K N 3.703 123.816 120.400 -0.479 0.000 2.144 367 K HA 0.543 4.861 4.320 -0.004 0.000 0.270 367 K C -0.550 175.926 176.600 -0.206 0.000 1.005 367 K CA -0.097 55.779 56.287 -0.685 0.000 0.932 367 K CB 1.514 33.475 32.500 -0.899 0.000 1.021 367 K HN 0.700 nan 8.250 nan 0.000 0.462 368 T N 0.922 115.231 114.554 -0.408 0.000 2.754 368 T HA 0.309 4.656 4.350 -0.004 0.000 0.296 368 T C -1.273 172.638 174.700 -1.316 0.000 1.205 368 T CA -0.946 60.670 62.100 -0.808 0.000 1.009 368 T CB 0.770 69.412 68.868 -0.378 0.000 1.368 368 T HN 0.786 nan 8.240 nan 0.000 0.509 369 R N 1.224 120.895 120.500 -1.382 0.000 2.784 369 R HA 0.531 4.869 4.340 -0.004 0.000 0.266 369 R C 1.095 177.277 176.300 -0.198 0.000 1.044 369 R CA 0.405 56.038 56.100 -0.779 0.000 1.151 369 R CB 0.107 30.136 30.300 -0.453 0.000 1.037 369 R HN 0.602 nan 8.270 nan 0.000 0.478 370 A N 1.560 124.324 122.820 -0.094 0.000 1.930 370 A HA -0.014 4.304 4.320 -0.004 0.000 0.215 370 A C 0.999 178.657 177.584 0.123 0.000 1.176 370 A CA 1.323 53.376 52.037 0.027 0.000 0.632 370 A CB -0.014 18.997 19.000 0.018 0.000 0.819 370 A HN 0.804 nan 8.150 nan 0.000 0.445 371 S N -4.041 111.618 115.700 -0.068 0.000 2.579 371 S HA 0.423 4.891 4.470 -0.004 0.000 0.272 371 S C 0.276 174.507 174.600 -0.616 0.000 1.141 371 S CA -0.303 57.781 58.200 -0.194 0.000 0.843 371 S CB 0.560 63.715 63.200 -0.075 0.000 1.122 371 S HN 0.391 nan 8.310 nan 0.000 0.468 372 Y N 3.265 122.988 120.300 -0.961 0.000 2.151 372 Y HA 0.027 4.575 4.550 -0.004 0.000 0.284 372 Y C 0.327 175.693 175.900 -0.889 0.000 1.166 372 Y CA 1.802 59.260 58.100 -1.069 0.000 1.163 372 Y CB -0.099 37.772 38.460 -0.983 0.000 0.974 372 Y HN 0.623 nan 8.280 nan 0.000 0.511 373 F N 1.699 121.438 119.950 -0.352 0.000 2.626 373 F HA 0.261 4.786 4.527 -0.004 0.000 0.353 373 F C 0.190 175.683 175.800 -0.511 0.000 1.230 373 F CA -0.218 57.520 58.000 -0.436 0.000 1.298 373 F CB -0.341 38.405 39.000 -0.422 0.000 1.670 373 F HN -0.089 nan 8.300 nan 0.000 0.633 374 S N -0.934 114.551 115.700 -0.358 0.000 2.548 374 S HA 0.426 4.894 4.470 -0.004 0.000 0.286 374 S C -0.848 173.707 174.600 -0.075 0.000 1.098 374 S CA -1.243 56.786 58.200 -0.286 0.000 0.930 374 S CB 1.717 64.788 63.200 -0.216 0.000 1.070 374 S HN 0.165 nan 8.310 nan 0.000 0.480 375 D N 2.920 123.417 120.400 0.161 0.000 2.487 375 D HA 0.165 4.803 4.640 -0.004 0.000 0.243 375 D C 0.407 176.746 176.300 0.066 0.000 1.154 375 D CA 0.620 54.703 54.000 0.138 0.000 0.876 375 D CB 0.843 41.758 40.800 0.192 0.000 1.161 375 D HN 0.700 nan 8.370 nan 0.000 0.478 376 S N 2.076 117.789 115.700 0.021 0.000 2.537 376 S HA 0.532 5.000 4.470 -0.004 0.000 0.275 376 S C 0.169 174.794 174.600 0.042 0.000 1.272 376 S CA -0.852 57.354 58.200 0.010 0.000 1.050 376 S CB 1.336 64.516 63.200 -0.034 0.000 0.961 376 S HN 0.333 nan 8.310 nan 0.000 0.496 377 L N 1.656 122.907 121.223 0.048 0.000 2.298 377 L HA 0.592 4.930 4.340 -0.004 0.000 0.268 377 L C -2.379 174.509 176.870 0.030 0.000 1.010 377 L CA -2.939 51.926 54.840 0.043 0.000 0.812 377 L CB 1.302 43.384 42.059 0.038 0.000 1.331 377 L HN 0.427 nan 8.230 nan 0.000 0.450 378 P HA 0.128 nan 4.420 nan 0.000 0.271 378 P C -2.489 174.809 177.300 -0.003 0.000 1.216 378 P CA -0.796 62.316 63.100 0.020 0.000 0.771 378 P CB 0.064 31.777 31.700 0.021 0.000 0.864 379 P HA 0.108 nan 4.420 nan 0.000 0.274 379 P C -0.864 176.393 177.300 -0.071 0.000 1.256 379 P CA -0.068 63.016 63.100 -0.028 0.000 0.795 379 P CB 0.717 32.415 31.700 -0.003 0.000 1.038 380 V N -3.086 116.765 119.914 -0.106 0.000 3.040 380 V HA 0.591 4.709 4.120 -0.004 0.000 0.312 380 V C -0.474 175.482 176.094 -0.229 0.000 1.115 380 V CA -1.179 61.036 62.300 -0.141 0.000 0.998 380 V CB 2.082 33.792 31.823 -0.188 0.000 1.042 380 V HN 0.480 nan 8.190 nan 0.000 0.433 381 K N 2.456 122.690 120.400 -0.276 0.000 2.156 381 K HA 0.535 4.853 4.320 -0.004 0.000 0.271 381 K C -1.082 175.306 176.600 -0.353 0.000 0.995 381 K CA -0.813 55.164 56.287 -0.517 0.000 0.890 381 K CB 1.320 33.491 32.500 -0.550 0.000 1.073 381 K HN 0.705 nan 8.250 nan 0.000 0.454 382 I N 5.584 125.942 120.570 -0.353 0.000 2.312 382 I HA 0.058 4.225 4.170 -0.004 0.000 0.291 382 I C 1.240 177.272 176.117 -0.142 0.000 1.031 382 I CA -0.031 61.148 61.300 -0.201 0.000 1.293 382 I CB 1.122 39.082 38.000 -0.066 0.000 1.403 382 I HN 0.746 nan 8.210 nan 0.000 0.484 383 K N 4.088 124.429 120.400 -0.097 0.000 2.015 383 K HA -0.205 4.113 4.320 -0.004 0.000 0.216 383 K C 0.601 177.194 176.600 -0.013 0.000 1.052 383 K CA 1.692 57.946 56.287 -0.055 0.000 0.937 383 K CB -0.033 32.441 32.500 -0.044 0.000 0.719 383 K HN 0.464 nan 8.250 nan 0.000 0.446 384 N N -0.520 118.193 118.700 0.022 0.000 2.793 384 N HA 0.119 4.857 4.740 -0.004 0.000 0.251 384 N C -0.140 175.396 175.510 0.043 0.000 1.308 384 N CA -0.074 52.995 53.050 0.031 0.000 0.781 384 N CB 0.576 39.087 38.487 0.040 0.000 1.439 384 N HN -0.057 nan 8.380 nan 0.000 0.562 385 L N 1.613 122.821 121.223 -0.024 0.000 2.265 385 L HA 0.006 4.344 4.340 -0.004 0.000 0.215 385 L C 1.411 178.301 176.870 0.034 0.000 1.117 385 L CA 0.978 55.750 54.840 -0.113 0.000 0.782 385 L CB -0.063 41.816 42.059 -0.300 0.000 0.914 385 L HN 0.531 nan 8.230 nan 0.000 0.441 386 L N -0.776 120.470 121.223 0.039 0.000 2.612 386 L HA 0.057 4.395 4.340 -0.004 0.000 0.230 386 L C 0.295 177.206 176.870 0.067 0.000 1.140 386 L CA -0.036 54.838 54.840 0.056 0.000 0.896 386 L CB -0.306 41.776 42.059 0.039 0.000 1.065 386 L HN 0.105 nan 8.230 nan 0.000 0.447 387 D N 0.159 120.609 120.400 0.084 0.000 2.454 387 D HA 0.059 4.696 4.640 -0.004 0.000 0.225 387 D C 0.822 177.182 176.300 0.101 0.000 1.081 387 D CA -0.231 53.819 54.000 0.082 0.000 0.864 387 D CB 0.679 41.528 40.800 0.082 0.000 1.040 387 D HN -0.069 nan 8.370 nan 0.000 0.517 388 N N 2.527 121.273 118.700 0.076 0.000 2.513 388 N HA -0.196 4.542 4.740 -0.004 0.000 0.187 388 N C 1.168 176.720 175.510 0.069 0.000 1.056 388 N CA 0.522 53.610 53.050 0.064 0.000 0.907 388 N CB 0.303 38.812 38.487 0.038 0.000 0.954 388 N HN 0.557 nan 8.380 nan 0.000 0.445 389 E N 0.433 120.682 120.200 0.081 0.000 2.371 389 E HA 0.030 4.378 4.350 -0.004 0.000 0.194 389 E C 1.440 178.118 176.600 0.129 0.000 1.012 389 E CA 0.612 57.064 56.400 0.086 0.000 0.860 389 E CB 0.127 29.871 29.700 0.073 0.000 0.811 389 E HN 0.168 nan 8.360 nan 0.000 0.502 390 I N -0.831 119.841 120.570 0.171 0.000 3.883 390 I HA 0.162 4.330 4.170 -0.004 0.000 0.305 390 I C -0.326 176.011 176.117 0.366 0.000 1.247 390 I CA 0.294 61.761 61.300 0.279 0.000 1.350 390 I CB 0.150 38.320 38.000 0.283 0.000 1.194 390 I HN 0.009 nan 8.210 nan 0.000 0.441 391 Y N 1.427 121.753 120.300 0.043 0.000 2.399 391 Y HA 0.405 4.953 4.550 -0.004 0.000 0.327 391 Y C -0.257 175.594 175.900 -0.081 0.000 1.111 391 Y CA -0.968 57.053 58.100 -0.132 0.000 1.047 391 Y CB 1.406 39.667 38.460 -0.332 0.000 1.259 391 Y HN 0.016 nan 8.280 nan 0.000 0.434 392 T N 2.733 117.015 114.554 -0.453 0.000 2.924 392 T HA 0.453 4.801 4.350 -0.004 0.000 0.291 392 T C 0.939 175.409 174.700 -0.383 0.000 1.045 392 T CA -0.760 61.174 62.100 -0.277 0.000 1.015 392 T CB 1.455 70.237 68.868 -0.144 0.000 1.103 392 T HN 0.650 nan 8.240 nan 0.000 0.496 393 I N 0.542 121.012 120.570 -0.168 0.000 2.208 393 I HA -0.158 4.010 4.170 -0.004 0.000 0.245 393 I C 2.445 178.503 176.117 -0.099 0.000 1.097 393 I CA 1.499 62.738 61.300 -0.102 0.000 1.363 393 I CB -0.264 37.720 38.000 -0.027 0.000 1.051 393 I HN 0.718 nan 8.210 nan 0.000 0.413 394 E N 0.749 120.892 120.200 -0.094 0.000 2.047 394 E HA -0.172 4.176 4.350 -0.004 0.000 0.191 394 E C 1.620 178.172 176.600 -0.080 0.000 0.987 394 E CA 1.226 57.583 56.400 -0.072 0.000 0.799 394 E CB 0.002 29.666 29.700 -0.059 0.000 0.752 394 E HN 0.494 nan 8.360 nan 0.000 0.449 395 E N -0.997 119.131 120.200 -0.120 0.000 2.601 395 E HA 0.268 4.616 4.350 -0.004 0.000 0.219 395 E C 0.793 177.299 176.600 -0.157 0.000 0.964 395 E CA 0.120 56.466 56.400 -0.090 0.000 1.050 395 E CB 1.147 30.820 29.700 -0.045 0.000 1.068 395 E HN 0.228 nan 8.360 nan 0.000 0.496 396 G N 1.731 110.265 108.800 -0.443 0.000 2.556 396 G HA2 -0.384 3.574 3.960 -0.004 0.000 0.283 396 G HA3 -0.384 3.574 3.960 -0.004 0.000 0.283 396 G C 0.501 175.094 174.900 -0.510 0.000 1.177 396 G CA 0.459 45.044 45.100 -0.858 0.000 0.978 396 G HN 0.266 nan 8.290 nan 0.000 0.554 397 F N 1.681 121.686 119.950 0.091 0.000 2.416 397 F HA 0.184 4.709 4.527 -0.004 0.000 0.296 397 F C 1.765 177.646 175.800 0.134 0.000 1.099 397 F CA 0.630 58.770 58.000 0.232 0.000 1.427 397 F CB 0.083 39.295 39.000 0.354 0.000 1.079 397 F HN 0.124 nan 8.300 nan 0.000 0.536 398 N N 2.180 121.041 118.700 0.269 0.000 3.178 398 N HA 0.148 4.886 4.740 -0.004 0.000 0.300 398 N C -0.488 175.081 175.510 0.098 0.000 1.242 398 N CA 0.302 53.460 53.050 0.180 0.000 1.192 398 N CB -0.259 38.339 38.487 0.186 0.000 1.463 398 N HN 0.221 nan 8.380 nan 0.000 0.539 399 I N 0.917 121.546 120.570 0.098 0.000 2.379 399 I HA -0.038 4.130 4.170 -0.004 0.000 0.290 399 I C 1.748 177.892 176.117 0.045 0.000 1.063 399 I CA -0.270 61.063 61.300 0.055 0.000 1.351 399 I CB 0.855 38.893 38.000 0.064 0.000 1.410 399 I HN 0.254 nan 8.210 nan 0.000 0.505 400 S N 3.181 118.895 115.700 0.023 0.000 2.368 400 S HA -0.203 4.265 4.470 -0.004 0.000 0.225 400 S C 1.305 175.916 174.600 0.018 0.000 1.030 400 S CA 1.116 59.325 58.200 0.015 0.000 0.999 400 S CB -0.201 63.001 63.200 0.002 0.000 0.844 400 S HN 0.654 nan 8.310 nan 0.000 0.459 401 D N 1.834 122.245 120.400 0.019 0.000 2.354 401 D HA -0.020 4.618 4.640 -0.004 0.000 0.216 401 D C 1.305 177.622 176.300 0.028 0.000 0.970 401 D CA 0.939 54.950 54.000 0.020 0.000 0.905 401 D CB -0.111 40.700 40.800 0.018 0.000 0.903 401 D HN 0.606 nan 8.370 nan 0.000 0.508 402 K N 0.191 120.614 120.400 0.039 0.000 2.387 402 K HA 0.029 4.347 4.320 -0.004 0.000 0.203 402 K C -0.248 176.378 176.600 0.045 0.000 1.030 402 K CA -0.193 56.122 56.287 0.048 0.000 1.099 402 K CB 0.939 33.481 32.500 0.069 0.000 0.863 402 K HN -0.163 nan 8.250 nan 0.000 0.529 403 D N 1.100 121.521 120.400 0.034 0.000 2.697 403 D HA -0.190 4.448 4.640 -0.004 0.000 0.238 403 D C 0.073 176.395 176.300 0.036 0.000 1.152 403 D CA 0.836 54.852 54.000 0.027 0.000 0.666 403 D CB -0.587 40.226 40.800 0.023 0.000 1.037 403 D HN 0.253 nan 8.370 nan 0.000 0.423 404 M N -0.695 118.934 119.600 0.048 0.000 2.414 404 M HA 0.091 4.569 4.480 -0.004 0.000 0.357 404 M C 1.472 177.809 176.300 0.061 0.000 1.059 404 M CA -0.385 54.955 55.300 0.067 0.000 0.959 404 M CB 0.733 33.396 32.600 0.105 0.000 1.522 404 M HN 0.063 nan 8.290 nan 0.000 0.551 405 E N 1.948 122.164 120.200 0.028 0.000 2.122 405 E HA 0.039 4.387 4.350 -0.004 0.000 0.190 405 E C 0.178 176.741 176.600 -0.062 0.000 0.977 405 E CA 0.744 57.146 56.400 0.003 0.000 0.820 405 E CB 0.488 30.185 29.700 -0.005 0.000 0.770 405 E HN 0.391 nan 8.360 nan 0.000 0.462 406 K N 1.081 121.444 120.400 -0.061 0.000 2.350 406 K HA 0.023 4.340 4.320 -0.004 0.000 0.279 406 K C -0.021 176.499 176.600 -0.133 0.000 1.027 406 K CA 0.201 56.422 56.287 -0.109 0.000 0.969 406 K CB 0.489 32.954 32.500 -0.059 0.000 0.954 406 K HN 0.042 nan 8.250 nan 0.000 0.474 407 E N 1.610 121.655 120.200 -0.258 0.000 2.660 407 E HA -0.286 4.062 4.350 -0.004 0.000 0.260 407 E C -1.026 175.534 176.600 -0.066 0.000 1.122 407 E CA 0.727 56.999 56.400 -0.212 0.000 0.755 407 E CB -1.738 27.959 29.700 -0.005 0.000 1.345 407 E HN 0.720 nan 8.360 nan 0.000 0.421 408 Y N -2.838 117.512 120.300 0.083 0.000 3.491 408 Y HA -0.348 4.199 4.550 -0.005 0.000 0.215 408 Y C 1.655 177.644 175.900 0.148 0.000 1.219 408 Y CA 0.960 59.122 58.100 0.103 0.000 1.485 408 Y CB -1.948 36.547 38.460 0.058 0.000 1.450 408 Y HN 0.212 nan 8.280 nan 0.000 0.603 409 R N 0.265 120.868 120.500 0.172 0.000 2.105 409 R HA -0.160 4.177 4.340 -0.004 0.000 0.239 409 R C 2.486 178.829 176.300 0.072 0.000 1.135 409 R CA 1.423 57.590 56.100 0.112 0.000 0.967 409 R CB -0.585 29.756 30.300 0.069 0.000 0.861 409 R HN 0.627 nan 8.270 nan 0.000 0.442 410 G N 0.220 109.090 108.800 0.116 0.000 2.479 410 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.220 410 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.220 410 G C 1.088 175.931 174.900 -0.094 0.000 1.115 410 G CA 0.443 45.626 45.100 0.138 0.000 0.757 410 G HN 0.392 nan 8.290 nan 0.000 0.560 411 Q N -0.517 119.136 119.800 -0.245 0.000 2.282 411 Q HA 0.112 4.449 4.340 -0.004 0.000 0.206 411 Q C 0.338 175.769 176.000 -0.947 0.000 0.878 411 Q CA -0.506 54.737 55.803 -0.932 0.000 0.944 411 Q CB 0.391 28.928 28.738 -0.336 0.000 1.100 411 Q HN 0.236 nan 8.270 nan 0.000 0.509 412 N N 1.685 120.092 118.700 -0.488 0.000 2.442 412 N HA 0.003 4.741 4.740 -0.004 0.000 0.265 412 N C 0.378 175.671 175.510 -0.361 0.000 1.138 412 N CA 0.386 53.031 53.050 -0.674 0.000 0.956 412 N CB 0.897 39.126 38.487 -0.431 0.000 1.067 412 N HN 0.080 nan 8.380 nan 0.000 0.474 413 K N 2.404 122.583 120.400 -0.369 0.000 2.148 413 K HA -0.049 4.269 4.320 -0.004 0.000 0.204 413 K C 1.420 178.081 176.600 0.102 0.000 1.050 413 K CA 1.199 57.457 56.287 -0.048 0.000 0.942 413 K CB 0.095 32.489 32.500 -0.176 0.000 0.724 413 K HN 0.579 nan 8.250 nan 0.000 0.446 414 A N 0.513 123.304 122.820 -0.049 0.000 2.206 414 A HA 0.019 4.337 4.320 -0.004 0.000 0.211 414 A C 1.745 179.342 177.584 0.021 0.000 1.158 414 A CA 0.880 52.919 52.037 0.002 0.000 0.761 414 A CB -0.246 18.734 19.000 -0.033 0.000 0.801 414 A HN 0.168 nan 8.150 nan 0.000 0.473 415 I N -2.212 118.369 120.570 0.018 0.000 3.673 415 I HA 0.090 4.258 4.170 -0.004 0.000 0.281 415 I C 0.724 176.895 176.117 0.090 0.000 1.182 415 I CA 0.109 61.432 61.300 0.038 0.000 1.391 415 I CB 0.155 38.160 38.000 0.010 0.000 1.383 415 I HN 0.100 nan 8.210 nan 0.000 0.456 416 N N 1.903 120.696 118.700 0.155 0.000 2.994 416 N HA 0.099 4.836 4.740 -0.004 0.000 0.306 416 N C 0.800 176.474 175.510 0.274 0.000 1.348 416 N CA 0.165 53.348 53.050 0.222 0.000 1.109 416 N CB 0.032 38.683 38.487 0.272 0.000 1.415 416 N HN 0.116 nan 8.380 nan 0.000 0.529 417 K N -0.349 120.125 120.400 0.123 0.000 2.280 417 K HA -0.133 4.185 4.320 -0.004 0.000 0.202 417 K C 1.470 177.913 176.600 -0.262 0.000 1.047 417 K CA 0.878 57.076 56.287 -0.149 0.000 0.942 417 K CB 0.193 32.618 32.500 -0.124 0.000 0.739 417 K HN 0.467 nan 8.250 nan 0.000 0.457 418 Q N -0.329 119.423 119.800 -0.079 0.000 2.444 418 Q HA 0.060 4.398 4.340 -0.004 0.000 0.206 418 Q C 1.189 177.166 176.000 -0.037 0.000 0.948 418 Q CA 0.855 56.619 55.803 -0.065 0.000 0.946 418 Q CB 0.391 29.130 28.738 0.002 0.000 1.027 418 Q HN 0.219 nan 8.270 nan 0.000 0.513 419 A N -0.006 122.798 122.820 -0.027 0.000 2.229 419 A HA 0.310 4.628 4.320 -0.004 0.000 0.211 419 A C 0.367 177.871 177.584 -0.133 0.000 1.193 419 A CA 0.125 52.174 52.037 0.021 0.000 0.879 419 A CB 0.162 19.247 19.000 0.142 0.000 0.911 419 A HN 0.495 nan 8.150 nan 0.000 0.492 420 Y N -2.643 117.443 120.300 -0.357 0.000 2.677 420 Y HA 0.823 5.371 4.550 -0.003 0.000 0.334 420 Y C -0.963 174.778 175.900 -0.265 0.000 1.154 420 Y CA -1.457 56.383 58.100 -0.435 0.000 1.070 420 Y CB 0.782 38.768 38.460 -0.789 0.000 1.294 420 Y HN -0.007 nan 8.280 nan 0.000 0.475 421 E N 0.840 120.924 120.200 -0.193 0.000 2.314 421 E HA 0.239 4.587 4.350 -0.004 0.000 0.272 421 E C -1.213 175.386 176.600 -0.002 0.000 0.884 421 E CA -1.146 55.146 56.400 -0.181 0.000 0.753 421 E CB 2.212 31.831 29.700 -0.134 0.000 1.213 421 E HN 0.523 nan 8.360 nan 0.000 0.432 422 E N 1.373 121.576 120.200 0.005 0.000 2.409 422 E HA 0.245 4.593 4.350 -0.004 0.000 0.257 422 E C -0.069 176.520 176.600 -0.018 0.000 1.150 422 E CA 0.129 56.550 56.400 0.034 0.000 0.942 422 E CB 0.864 30.584 29.700 0.033 0.000 0.979 422 E HN 0.399 nan 8.360 nan 0.000 0.447 423 I N 0.520 121.067 120.570 -0.037 0.000 2.525 423 I HA 0.041 4.209 4.170 -0.004 0.000 0.301 423 I C 0.595 176.712 176.117 -0.001 0.000 0.992 423 I CA -0.623 60.636 61.300 -0.069 0.000 1.162 423 I CB 1.768 39.631 38.000 -0.229 0.000 1.332 423 I HN 0.254 nan 8.210 nan 0.000 0.458 424 S N 4.782 120.508 115.700 0.043 0.000 2.481 424 S HA 0.038 4.506 4.470 -0.004 0.000 0.282 424 S C 1.168 175.770 174.600 0.003 0.000 1.243 424 S CA -0.427 57.759 58.200 -0.022 0.000 1.078 424 S CB 0.230 63.325 63.200 -0.175 0.000 0.916 424 S HN 0.432 nan 8.310 nan 0.000 0.495 425 K N 4.239 124.639 120.400 -0.001 0.000 2.360 425 K HA -0.106 4.212 4.320 -0.004 0.000 0.201 425 K C 1.442 178.057 176.600 0.025 0.000 1.046 425 K CA 1.204 57.511 56.287 0.032 0.000 0.940 425 K CB -0.145 32.366 32.500 0.017 0.000 0.748 425 K HN 0.761 nan 8.250 nan 0.000 0.465 426 E N -0.374 119.785 120.200 -0.067 0.000 2.274 426 E HA -0.116 4.232 4.350 -0.004 0.000 0.194 426 E C 0.995 177.615 176.600 0.034 0.000 0.996 426 E CA 0.714 57.066 56.400 -0.080 0.000 0.840 426 E CB -0.129 29.456 29.700 -0.193 0.000 0.772 426 E HN 0.628 nan 8.360 nan 0.000 0.491 427 H N -0.459 118.706 119.070 0.158 0.000 2.551 427 H HA 0.222 4.776 4.556 -0.004 0.000 0.271 427 H C 0.116 175.592 175.328 0.247 0.000 0.984 427 H CA -0.532 55.618 56.048 0.170 0.000 1.164 427 H CB 0.488 30.389 29.762 0.231 0.000 1.437 427 H HN -0.068 nan 8.280 nan 0.000 0.550 428 L N 1.271 122.685 121.223 0.318 0.000 2.322 428 L HA 0.633 4.970 4.340 -0.004 0.000 0.279 428 L C -0.163 176.834 176.870 0.211 0.000 1.036 428 L CA -0.984 54.022 54.840 0.276 0.000 0.807 428 L CB 1.624 43.803 42.059 0.200 0.000 1.226 428 L HN 0.070 nan 8.230 nan 0.000 0.433 429 A N 3.410 126.372 122.820 0.236 0.000 2.356 429 A HA 0.812 5.130 4.320 -0.004 0.000 0.310 429 A C -1.028 176.651 177.584 0.159 0.000 1.075 429 A CA -0.469 51.679 52.037 0.186 0.000 0.746 429 A CB 1.706 20.849 19.000 0.239 0.000 1.221 429 A HN 0.395 nan 8.150 nan 0.000 0.443 430 V N 2.448 122.435 119.914 0.122 0.000 2.686 430 V HA 0.244 4.362 4.120 -0.004 0.000 0.306 430 V C -1.039 175.136 176.094 0.135 0.000 1.065 430 V CA -0.597 61.777 62.300 0.122 0.000 0.894 430 V CB 1.694 33.569 31.823 0.087 0.000 1.004 430 V HN 0.845 nan 8.190 nan 0.000 0.424 431 Y N 5.427 125.745 120.300 0.030 0.000 2.537 431 Y HA 0.367 4.914 4.550 -0.004 0.000 0.339 431 Y C 0.332 176.236 175.900 0.007 0.000 1.066 431 Y CA 0.068 58.177 58.100 0.016 0.000 1.357 431 Y CB 0.244 38.717 38.460 0.021 0.000 1.175 431 Y HN 0.577 nan 8.280 nan 0.000 0.525 432 K N 6.339 126.476 120.400 -0.438 0.000 2.281 432 K HA 0.557 4.875 4.320 -0.004 0.000 0.242 432 K C -1.365 174.892 176.600 -0.572 0.000 0.971 432 K CA -1.095 54.952 56.287 -0.400 0.000 0.834 432 K CB 1.871 34.249 32.500 -0.204 0.000 1.181 432 K HN 0.437 nan 8.250 nan 0.000 0.435 433 I N 2.252 122.588 120.570 -0.390 0.000 2.355 433 I HA 0.169 4.337 4.170 -0.004 0.000 0.288 433 I C -0.326 175.646 176.117 -0.243 0.000 0.999 433 I CA -0.334 60.773 61.300 -0.321 0.000 1.163 433 I CB 1.366 39.212 38.000 -0.257 0.000 1.316 433 I HN 0.636 nan 8.210 nan 0.000 0.454 434 Q N 7.008 126.676 119.800 -0.220 0.000 2.377 434 Q HA 0.419 4.757 4.340 -0.004 0.000 0.249 434 Q C -0.873 174.979 176.000 -0.247 0.000 1.005 434 Q CA -0.432 55.241 55.803 -0.217 0.000 0.912 434 Q CB 0.840 29.460 28.738 -0.198 0.000 1.223 434 Q HN 0.539 nan 8.270 nan 0.000 0.459 435 M N 3.837 123.290 119.600 -0.246 0.000 2.151 435 M HA 0.276 4.753 4.480 -0.004 0.000 0.349 435 M C -0.940 175.166 176.300 -0.323 0.000 1.284 435 M CA -0.501 54.639 55.300 -0.267 0.000 1.173 435 M CB 0.328 32.816 32.600 -0.187 0.000 1.469 435 M HN 0.540 nan 8.290 nan 0.000 0.439 436 C N 2.979 121.995 119.300 -0.473 0.000 2.358 436 C HA 0.477 4.935 4.460 -0.004 0.000 0.342 436 C C 0.558 175.309 174.990 -0.399 0.000 1.234 436 C CA -1.159 57.537 59.018 -0.537 0.000 1.969 436 C CB 0.847 28.015 27.740 -0.953 0.000 2.346 436 C HN 0.728 nan 8.230 nan 0.000 0.525 437 K N 1.243 121.519 120.400 -0.206 0.000 2.118 437 K HA 0.318 4.636 4.320 -0.004 0.000 0.267 437 K C 0.413 177.045 176.600 0.053 0.000 0.991 437 K CA 0.036 56.288 56.287 -0.059 0.000 0.916 437 K CB 0.879 33.357 32.500 -0.036 0.000 1.041 437 K HN 0.804 nan 8.250 nan 0.000 0.455 438 S N 0.969 116.754 115.700 0.141 0.000 4.051 438 S HA 0.168 4.635 4.470 -0.004 0.000 0.215 438 S C 0.123 174.782 174.600 0.098 0.000 1.289 438 S CA -0.642 57.671 58.200 0.188 0.000 0.907 438 S CB -0.838 62.437 63.200 0.124 0.000 1.603 438 S HN 0.280 nan 8.310 nan 0.000 0.453 444 I N 0.285 120.811 120.570 -0.074 0.000 2.440 444 I HA 0.759 4.927 4.170 -0.004 0.000 0.294 444 I C -0.184 175.847 176.117 -0.145 0.000 0.995 444 I CA -0.899 60.347 61.300 -0.091 0.000 1.306 444 I CB 0.976 38.933 38.000 -0.071 0.000 1.407 444 I HN 0.559 nan 8.210 nan 0.000 0.501 445 C N 7.199 126.397 119.300 -0.170 0.000 2.563 445 C HA 0.649 5.107 4.460 -0.004 0.000 0.314 445 C C -0.273 174.539 174.990 -0.297 0.000 1.199 445 C CA -0.933 57.947 59.018 -0.230 0.000 1.564 445 C CB 0.893 28.506 27.740 -0.212 0.000 2.173 445 C HN 0.604 nan 8.230 nan 0.000 0.485 446 I N 2.095 122.457 120.570 -0.346 0.000 2.545 446 I HA 0.340 4.508 4.170 -0.004 0.000 0.292 446 I C -1.050 174.897 176.117 -0.283 0.000 1.040 446 I CA -0.192 60.828 61.300 -0.465 0.000 1.068 446 I CB 1.840 39.473 38.000 -0.612 0.000 1.251 446 I HN 0.527 nan 8.210 nan 0.000 0.424 447 D N 5.119 125.387 120.400 -0.220 0.000 2.177 447 D HA 0.529 5.167 4.640 -0.004 0.000 0.247 447 D C -0.748 175.489 176.300 -0.105 0.000 1.063 447 D CA -0.021 53.888 54.000 -0.152 0.000 0.867 447 D CB 2.250 42.985 40.800 -0.108 0.000 1.168 447 D HN 0.029 nan 8.370 nan 0.000 0.445 448 V N 2.669 122.507 119.914 -0.126 0.000 2.577 448 V HA 0.182 4.300 4.120 -0.004 0.000 0.303 448 V C -0.473 175.559 176.094 -0.103 0.000 1.042 448 V CA -1.064 61.183 62.300 -0.087 0.000 0.872 448 V CB 2.072 33.790 31.823 -0.176 0.000 0.998 448 V HN 0.392 nan 8.190 nan 0.000 0.423 449 D N 2.872 123.254 120.400 -0.031 0.000 2.455 449 D HA -0.003 4.635 4.640 -0.004 0.000 0.241 449 D C 1.153 177.446 176.300 -0.012 0.000 1.138 449 D CA 0.332 54.320 54.000 -0.020 0.000 0.877 449 D CB 0.730 41.551 40.800 0.035 0.000 1.187 449 D HN 0.651 nan 8.370 nan 0.000 0.451 450 N N 1.934 120.632 118.700 -0.003 0.000 2.258 450 N HA -0.212 4.526 4.740 -0.004 0.000 0.187 450 N C 1.100 176.681 175.510 0.119 0.000 1.012 450 N CA 1.411 54.507 53.050 0.077 0.000 0.870 450 N CB 0.191 38.851 38.487 0.289 0.000 0.977 450 N HN 0.418 nan 8.380 nan 0.000 0.434 451 E N -0.270 119.997 120.200 0.110 0.000 2.110 451 E HA -0.148 4.200 4.350 -0.004 0.000 0.193 451 E C 1.031 177.700 176.600 0.114 0.000 0.988 451 E CA 1.189 57.655 56.400 0.111 0.000 0.804 451 E CB -0.063 29.690 29.700 0.088 0.000 0.745 451 E HN 0.528 nan 8.360 nan 0.000 0.458 452 D N 0.477 120.937 120.400 0.100 0.000 2.310 452 D HA -0.066 4.572 4.640 -0.004 0.000 0.212 452 D C 0.858 177.239 176.300 0.134 0.000 0.965 452 D CA 0.543 54.609 54.000 0.111 0.000 0.879 452 D CB 0.166 41.051 40.800 0.141 0.000 0.921 452 D HN 0.171 nan 8.370 nan 0.000 0.510 453 L N 0.020 121.333 121.223 0.150 0.000 2.482 453 L HA 0.152 4.489 4.340 -0.004 0.000 0.242 453 L C 0.247 177.221 176.870 0.173 0.000 1.210 453 L CA -0.507 54.478 54.840 0.241 0.000 0.819 453 L CB 0.063 42.239 42.059 0.195 0.000 1.203 453 L HN -0.218 nan 8.230 nan 0.000 0.495 454 F N 0.437 120.562 119.950 0.292 0.000 2.424 454 F HA 0.195 4.719 4.527 -0.004 0.000 0.356 454 F C 0.128 176.046 175.800 0.198 0.000 1.110 454 F CA -0.163 57.977 58.000 0.233 0.000 1.161 454 F CB 0.220 39.338 39.000 0.197 0.000 1.115 454 F HN 0.093 nan 8.300 nan 0.000 0.507 455 F N 5.763 125.859 119.950 0.243 0.000 2.413 455 F HA 0.536 5.060 4.527 -0.004 0.000 0.359 455 F C -0.470 175.401 175.800 0.118 0.000 1.122 455 F CA -0.511 57.591 58.000 0.170 0.000 1.160 455 F CB 0.077 39.189 39.000 0.186 0.000 1.146 455 F HN 0.262 nan 8.300 nan 0.000 0.514 456 I N 7.216 127.601 120.570 -0.308 0.000 2.466 456 I HA 0.325 4.493 4.170 -0.004 0.000 0.279 456 I C 0.017 175.932 176.117 -0.337 0.000 1.033 456 I CA -0.892 60.313 61.300 -0.157 0.000 1.123 456 I CB 1.236 39.193 38.000 -0.073 0.000 1.237 456 I HN 0.727 nan 8.210 nan 0.000 0.460 457 A N 5.061 127.771 122.820 -0.184 0.000 2.565 457 A HA -0.008 4.310 4.320 -0.004 0.000 0.237 457 A C 0.235 177.819 177.584 -0.000 0.000 1.053 457 A CA 0.269 52.252 52.037 -0.090 0.000 0.755 457 A CB 0.146 19.267 19.000 0.202 0.000 0.980 457 A HN 0.772 nan 8.150 nan 0.000 0.506 458 D N 1.372 121.722 120.400 -0.083 0.000 2.344 458 D HA 0.044 4.682 4.640 -0.004 0.000 0.244 458 D C 1.057 177.391 176.300 0.058 0.000 1.134 458 D CA -0.199 53.789 54.000 -0.020 0.000 0.930 458 D CB 0.757 41.512 40.800 -0.075 0.000 1.175 458 D HN 0.624 nan 8.370 nan 0.000 0.437 459 K N 1.901 122.388 120.400 0.145 0.000 2.152 459 K HA -0.156 4.161 4.320 -0.004 0.000 0.206 459 K C 1.338 178.009 176.600 0.118 0.000 1.048 459 K CA 1.006 57.437 56.287 0.240 0.000 0.933 459 K CB 0.087 32.694 32.500 0.177 0.000 0.721 459 K HN 0.381 nan 8.250 nan 0.000 0.447 460 N N 0.468 119.166 118.700 -0.003 0.000 2.519 460 N HA -0.094 4.643 4.740 -0.004 0.000 0.186 460 N C 1.297 176.703 175.510 -0.173 0.000 1.062 460 N CA 0.887 53.906 53.050 -0.051 0.000 0.910 460 N CB -0.041 38.417 38.487 -0.048 0.000 0.958 460 N HN 0.129 nan 8.380 nan 0.000 0.445 461 S N 0.096 115.550 115.700 -0.411 0.000 2.447 461 S HA 0.016 4.484 4.470 -0.004 0.000 0.233 461 S C 0.346 174.447 174.600 -0.833 0.000 1.006 461 S CA 0.648 58.415 58.200 -0.722 0.000 0.957 461 S CB -0.070 62.474 63.200 -1.093 0.000 0.773 461 S HN 0.215 nan 8.310 nan 0.000 0.507 462 F N 1.056 121.025 119.950 0.032 0.000 2.443 462 F HA 0.496 5.021 4.527 -0.003 0.000 0.335 462 F C 0.623 176.434 175.800 0.019 0.000 1.104 462 F CA -1.086 56.931 58.000 0.028 0.000 1.013 462 F CB 0.994 40.009 39.000 0.026 0.000 1.136 462 F HN -0.197 nan 8.300 nan 0.000 0.470 463 S N 0.577 116.377 115.700 0.167 0.000 2.573 463 S HA -0.014 4.454 4.470 -0.004 0.000 0.277 463 S C 0.336 174.988 174.600 0.087 0.000 1.346 463 S CA -0.135 58.123 58.200 0.096 0.000 1.034 463 S CB 0.450 63.698 63.200 0.079 0.000 0.879 463 S HN 0.761 nan 8.310 nan 0.000 0.528 464 D N 0.737 121.168 120.400 0.052 0.000 2.501 464 D HA 0.233 4.871 4.640 -0.004 0.000 0.224 464 D C 0.374 176.681 176.300 0.012 0.000 1.202 464 D CA -0.193 53.826 54.000 0.031 0.000 0.829 464 D CB 0.034 40.852 40.800 0.030 0.000 1.023 464 D HN 0.475 nan 8.370 nan 0.000 0.499 465 D N 0.120 120.528 120.400 0.013 0.000 2.311 465 D HA -0.109 4.529 4.640 -0.004 0.000 0.212 465 D C 2.000 178.289 176.300 -0.018 0.000 0.972 465 D CA 0.461 54.462 54.000 0.001 0.000 0.887 465 D CB 0.190 40.994 40.800 0.007 0.000 0.915 465 D HN 0.392 nan 8.370 nan 0.000 0.497 466 L N 0.696 121.899 121.223 -0.034 0.000 2.201 466 L HA -0.128 4.209 4.340 -0.004 0.000 0.212 466 L C 2.298 179.128 176.870 -0.068 0.000 1.105 466 L CA 0.981 55.777 54.840 -0.073 0.000 0.775 466 L CB -0.271 41.722 42.059 -0.109 0.000 0.913 466 L HN 0.063 nan 8.230 nan 0.000 0.440 467 S N -1.486 114.192 115.700 -0.037 0.000 2.489 467 S HA -0.025 4.443 4.470 -0.004 0.000 0.228 467 S C 0.887 175.491 174.600 0.006 0.000 0.995 467 S CA 0.059 58.248 58.200 -0.018 0.000 0.934 467 S CB -0.164 63.032 63.200 -0.008 0.000 0.771 467 S HN 0.265 nan 8.310 nan 0.000 0.522 468 K N 2.164 122.566 120.400 0.004 0.000 2.202 468 K HA 0.261 4.579 4.320 -0.004 0.000 0.264 468 K C -0.281 176.337 176.600 0.030 0.000 1.010 468 K CA -0.566 55.729 56.287 0.014 0.000 0.940 468 K CB 0.272 32.774 32.500 0.003 0.000 0.983 468 K HN 0.227 nan 8.250 nan 0.000 0.475 469 N N 2.348 121.070 118.700 0.036 0.000 2.453 469 N HA 0.040 4.778 4.740 -0.004 0.000 0.253 469 N C -0.395 175.105 175.510 -0.016 0.000 1.252 469 N CA 0.307 53.388 53.050 0.052 0.000 0.917 469 N CB 0.686 39.203 38.487 0.050 0.000 1.117 469 N HN 0.421 nan 8.380 nan 0.000 0.442 470 E N 1.259 121.412 120.200 -0.079 0.000 2.224 470 E HA 0.256 4.603 4.350 -0.004 0.000 0.265 470 E C -0.462 175.965 176.600 -0.287 0.000 0.878 470 E CA -0.523 55.719 56.400 -0.263 0.000 0.759 470 E CB 2.155 31.517 29.700 -0.564 0.000 1.164 470 E HN 0.243 nan 8.360 nan 0.000 0.414 471 R N 2.789 123.171 120.500 -0.196 0.000 2.221 471 R HA 0.358 4.696 4.340 -0.004 0.000 0.327 471 R C -0.023 176.175 176.300 -0.170 0.000 1.033 471 R CA -0.590 55.426 56.100 -0.140 0.000 0.887 471 R CB 0.706 30.960 30.300 -0.076 0.000 1.057 471 R HN 0.330 nan 8.270 nan 0.000 0.455 472 I N 3.018 123.497 120.570 -0.152 0.000 2.359 472 I HA 0.331 4.498 4.170 -0.004 0.000 0.294 472 I C 0.350 176.472 176.117 0.007 0.000 0.987 472 I CA -0.266 60.967 61.300 -0.111 0.000 1.225 472 I CB 1.385 39.323 38.000 -0.103 0.000 1.366 472 I HN 0.589 nan 8.210 nan 0.000 0.466 473 E N 3.111 123.335 120.200 0.040 0.000 2.446 473 E HA 0.223 4.571 4.350 -0.004 0.000 0.276 473 E C -0.166 176.498 176.600 0.105 0.000 0.969 473 E CA -0.597 55.911 56.400 0.181 0.000 0.800 473 E CB 1.859 31.644 29.700 0.143 0.000 1.341 473 E HN 0.549 nan 8.360 nan 0.000 0.460 474 Y N 0.073 120.392 120.300 0.032 0.000 2.483 474 Y HA -0.070 4.478 4.550 -0.004 0.000 0.291 474 Y C 1.097 176.972 175.900 -0.041 0.000 1.143 474 Y CA 1.433 59.471 58.100 -0.104 0.000 1.289 474 Y CB -0.321 37.936 38.460 -0.339 0.000 0.983 474 Y HN 0.378 nan 8.280 nan 0.000 0.556 475 N N -0.058 118.220 118.700 -0.704 0.000 2.240 475 N HA -0.045 4.693 4.740 -0.004 0.000 0.187 475 N C 0.016 175.387 175.510 -0.232 0.000 1.042 475 N CA 0.728 53.435 53.050 -0.572 0.000 0.861 475 N CB -0.141 37.996 38.487 -0.583 0.000 1.026 475 N HN 0.088 nan 8.380 nan 0.000 0.441 476 T N 2.436 116.893 114.554 -0.161 0.000 2.499 476 T HA -0.170 4.177 4.350 -0.004 0.000 0.208 476 T C -0.141 174.526 174.700 -0.054 0.000 1.023 476 T CA 0.911 62.957 62.100 -0.091 0.000 1.166 476 T CB -0.198 68.624 68.868 -0.078 0.000 0.998 476 T HN 0.305 nan 8.240 nan 0.000 0.447 477 Q N 1.307 121.088 119.800 -0.033 0.000 2.484 477 Q HA 0.668 5.005 4.340 -0.004 0.000 0.285 477 Q C -0.119 175.902 176.000 0.035 0.000 1.097 477 Q CA -1.220 54.587 55.803 0.007 0.000 0.802 477 Q CB 1.509 30.251 28.738 0.006 0.000 1.444 477 Q HN 0.606 nan 8.270 nan 0.000 0.429 478 S N 1.211 116.965 115.700 0.090 0.000 2.580 478 S HA 0.209 4.677 4.470 -0.004 0.000 0.266 478 S C -0.291 174.378 174.600 0.116 0.000 1.354 478 S CA -0.319 57.976 58.200 0.159 0.000 1.008 478 S CB 0.066 63.470 63.200 0.339 0.000 0.898 478 S HN 0.673 nan 8.310 nan 0.000 0.555 479 N N 1.566 120.289 118.700 0.037 0.000 2.640 479 N HA 0.275 5.012 4.740 -0.004 0.000 0.262 479 N C -2.072 173.334 175.510 -0.173 0.000 1.174 479 N CA -0.173 52.849 53.050 -0.047 0.000 0.791 479 N CB 0.888 39.316 38.487 -0.098 0.000 1.279 479 N HN 0.616 nan 8.380 nan 0.000 0.535 480 Y N 0.894 121.166 120.300 -0.046 0.000 2.341 480 Y HA 0.546 5.094 4.550 -0.003 0.000 0.338 480 Y C 0.420 176.276 175.900 -0.074 0.000 0.965 480 Y CA -0.650 57.430 58.100 -0.034 0.000 1.108 480 Y CB 1.906 40.358 38.460 -0.012 0.000 1.180 480 Y HN 0.255 nan 8.280 nan 0.000 0.458 481 I N 3.083 123.683 120.570 0.049 0.000 2.355 481 I HA 0.230 4.397 4.170 -0.004 0.000 0.288 481 I C -0.389 175.731 176.117 0.006 0.000 0.999 481 I CA -0.888 60.419 61.300 0.011 0.000 1.163 481 I CB 1.477 39.486 38.000 0.014 0.000 1.316 481 I HN 0.500 nan 8.210 nan 0.000 0.454 482 E N 5.397 125.593 120.200 -0.005 0.000 2.070 482 E HA 0.115 4.462 4.350 -0.004 0.000 0.282 482 E C 0.105 176.478 176.600 -0.379 0.000 1.104 482 E CA -0.078 56.259 56.400 -0.104 0.000 0.876 482 E CB 0.266 29.942 29.700 -0.039 0.000 1.055 482 E HN 0.316 nan 8.360 nan 0.000 0.401 483 N N 3.521 121.855 118.700 -0.610 0.000 2.585 483 N HA 0.021 4.758 4.740 -0.004 0.000 0.213 483 N C -1.017 174.014 175.510 -0.798 0.000 1.385 483 N CA 0.332 52.601 53.050 -1.303 0.000 0.871 483 N CB -0.061 37.999 38.487 -0.711 0.000 1.154 483 N HN 0.422 nan 8.380 nan 0.000 0.474 484 D N -0.866 119.287 120.400 -0.412 0.000 2.552 484 D HA 0.566 5.204 4.640 -0.004 0.000 0.239 484 D C -1.652 174.735 176.300 0.146 0.000 1.139 484 D CA -0.687 53.256 54.000 -0.095 0.000 0.914 484 D CB 1.247 41.991 40.800 -0.093 0.000 1.461 484 D HN -0.096 nan 8.370 nan 0.000 0.462 485 F N 1.820 121.758 119.950 -0.020 0.000 2.749 485 F HA 0.314 4.840 4.527 -0.003 0.000 0.339 485 F C -2.388 173.381 175.800 -0.053 0.000 1.211 485 F CA -1.457 56.536 58.000 -0.012 0.000 1.099 485 F CB 1.779 40.786 39.000 0.011 0.000 1.359 485 F HN 0.069 nan 8.300 nan 0.000 0.549 486 P HA -0.000 nan 4.420 nan 0.000 0.254 486 P C 0.985 178.154 177.300 -0.218 0.000 1.186 486 P CA 0.272 63.177 63.100 -0.325 0.000 0.868 486 P CB 0.621 32.098 31.700 -0.372 0.000 0.856 487 I N 4.422 124.953 120.570 -0.065 0.000 2.423 487 I HA -0.295 3.873 4.170 -0.004 0.000 0.254 487 I C 1.568 177.654 176.117 -0.051 0.000 1.151 487 I CA 1.593 62.878 61.300 -0.025 0.000 1.421 487 I CB -0.588 37.394 38.000 -0.030 0.000 1.079 487 I HN 0.178 nan 8.210 nan 0.000 0.431 488 N N 0.574 119.229 118.700 -0.075 0.000 2.084 488 N HA -0.237 4.501 4.740 -0.004 0.000 0.190 488 N C 1.754 177.224 175.510 -0.067 0.000 1.030 488 N CA 1.696 54.706 53.050 -0.066 0.000 0.849 488 N CB -0.324 38.121 38.487 -0.070 0.000 1.012 488 N HN 0.655 nan 8.380 nan 0.000 0.423 489 E N 0.629 120.764 120.200 -0.109 0.000 2.072 489 E HA -0.170 4.177 4.350 -0.004 0.000 0.191 489 E C 1.883 178.474 176.600 -0.015 0.000 0.985 489 E CA 0.759 57.103 56.400 -0.093 0.000 0.801 489 E CB -0.401 29.187 29.700 -0.186 0.000 0.750 489 E HN 0.204 nan 8.360 nan 0.000 0.452 490 L N 1.308 122.556 121.223 0.041 0.000 2.042 490 L HA -0.126 4.212 4.340 -0.004 0.000 0.210 490 L C 2.287 179.171 176.870 0.022 0.000 1.076 490 L CA 1.695 56.608 54.840 0.121 0.000 0.749 490 L CB -0.265 41.864 42.059 0.116 0.000 0.893 490 L HN 0.278 nan 8.230 nan 0.000 0.432 491 I N -1.292 119.274 120.570 -0.007 0.000 2.546 491 I HA -0.236 3.932 4.170 -0.004 0.000 0.255 491 I C 1.664 177.784 176.117 0.005 0.000 1.163 491 I CA 0.890 62.188 61.300 -0.003 0.000 1.457 491 I CB -0.115 37.875 38.000 -0.016 0.000 1.092 491 I HN 0.231 nan 8.210 nan 0.000 0.434 492 L N -0.361 120.862 121.223 0.000 0.000 2.693 492 L HA 0.170 4.508 4.340 -0.004 0.000 0.235 492 L C 0.230 177.108 176.870 0.013 0.000 1.127 492 L CA -0.240 54.601 54.840 0.001 0.000 0.914 492 L CB -0.168 41.884 42.059 -0.013 0.000 1.193 492 L HN 0.075 nan 8.230 nan 0.000 0.502 493 D N -0.137 120.280 120.400 0.029 0.000 2.458 493 D HA -0.035 4.603 4.640 -0.004 0.000 0.243 493 D C 1.168 177.492 176.300 0.041 0.000 1.146 493 D CA 0.525 54.552 54.000 0.045 0.000 0.877 493 D CB 1.272 42.118 40.800 0.076 0.000 1.176 493 D HN -0.071 nan 8.370 nan 0.000 0.461 494 T N 2.042 116.619 114.554 0.038 0.000 2.976 494 T HA -0.024 4.323 4.350 -0.004 0.000 0.257 494 T C 0.513 175.237 174.700 0.040 0.000 1.051 494 T CA 0.500 62.620 62.100 0.034 0.000 1.141 494 T CB 0.168 69.053 68.868 0.028 0.000 0.881 494 T HN 0.445 nan 8.240 nan 0.000 0.461 495 D N 0.806 121.235 120.400 0.049 0.000 2.525 495 D HA 0.214 4.852 4.640 -0.004 0.000 0.229 495 D C 1.284 177.619 176.300 0.058 0.000 1.202 495 D CA -0.083 53.948 54.000 0.052 0.000 0.828 495 D CB 0.686 41.521 40.800 0.058 0.000 1.008 495 D HN 0.185 nan 8.370 nan 0.000 0.493 496 L N 0.415 121.673 121.223 0.059 0.000 2.049 496 L HA 0.036 4.374 4.340 -0.004 0.000 0.203 496 L C 0.504 177.407 176.870 0.055 0.000 1.074 496 L CA 1.309 56.187 54.840 0.062 0.000 0.749 496 L CB 0.090 42.193 42.059 0.073 0.000 0.907 496 L HN -0.143 nan 8.230 nan 0.000 0.439 497 I N 0.980 121.582 120.570 0.052 0.000 2.396 497 I HA 0.099 4.267 4.170 -0.004 0.000 0.289 497 I C 0.825 176.959 176.117 0.028 0.000 1.056 497 I CA 0.151 61.476 61.300 0.042 0.000 1.365 497 I CB -0.048 37.976 38.000 0.040 0.000 1.407 497 I HN 0.173 nan 8.210 nan 0.000 0.509 498 S N 6.297 122.008 115.700 0.019 0.000 2.566 498 S HA 0.050 4.518 4.470 -0.004 0.000 0.280 498 S C 0.901 175.498 174.600 -0.005 0.000 1.343 498 S CA 0.066 58.269 58.200 0.003 0.000 1.036 498 S CB 0.311 63.499 63.200 -0.019 0.000 0.866 498 S HN 0.764 nan 8.310 nan 0.000 0.526 499 K N 2.731 123.126 120.400 -0.007 0.000 2.536 499 K HA 0.306 4.623 4.320 -0.004 0.000 0.203 499 K C -0.558 176.028 176.600 -0.023 0.000 1.063 499 K CA -0.550 55.731 56.287 -0.010 0.000 1.063 499 K CB 0.171 32.672 32.500 0.002 0.000 0.843 499 K HN 0.343 nan 8.250 nan 0.000 0.521 500 I N 2.649 123.196 120.570 -0.039 0.000 2.365 500 I HA 0.148 4.316 4.170 -0.004 0.000 0.291 500 I C 0.593 176.654 176.117 -0.094 0.000 1.004 500 I CA -0.745 60.518 61.300 -0.061 0.000 1.311 500 I CB 1.174 39.130 38.000 -0.072 0.000 1.401 500 I HN 0.324 nan 8.210 nan 0.000 0.491 501 E N 4.520 124.661 120.200 -0.098 0.000 2.652 501 E HA -0.099 4.249 4.350 -0.004 0.000 0.255 501 E C -0.833 175.661 176.600 -0.177 0.000 0.952 501 E CA -0.308 56.023 56.400 -0.115 0.000 0.947 501 E CB 0.585 30.222 29.700 -0.104 0.000 0.912 501 E HN 0.334 nan 8.360 nan 0.000 0.489 502 L N 7.610 128.741 121.223 -0.153 0.000 2.360 502 L HA 0.297 4.635 4.340 -0.004 0.000 0.276 502 L C -2.261 174.486 176.870 -0.206 0.000 1.121 502 L CA -1.434 53.293 54.840 -0.188 0.000 0.845 502 L CB 0.714 42.703 42.059 -0.117 0.000 1.143 502 L HN 0.486 nan 8.230 nan 0.000 0.452 503 P HA 0.180 nan 4.420 nan 0.000 0.272 503 P C -1.054 176.204 177.300 -0.070 0.000 1.230 503 P CA -0.374 62.548 63.100 -0.297 0.000 0.788 503 P CB 0.451 31.745 31.700 -0.678 0.000 0.949 504 S N 0.088 115.804 115.700 0.026 0.000 2.562 504 S HA 0.028 4.496 4.470 -0.004 0.000 0.281 504 S C 1.071 175.810 174.600 0.230 0.000 1.333 504 S CA -0.235 58.025 58.200 0.098 0.000 1.052 504 S CB 0.397 63.651 63.200 0.090 0.000 0.884 504 S HN 0.599 nan 8.310 nan 0.000 0.506 505 E N 1.943 122.272 120.200 0.214 0.000 2.285 505 E HA -0.076 4.272 4.350 -0.004 0.000 0.194 505 E C -0.037 176.646 176.600 0.138 0.000 0.997 505 E CA 0.123 56.702 56.400 0.298 0.000 0.845 505 E CB -0.213 29.632 29.700 0.241 0.000 0.782 505 E HN 0.536 nan 8.360 nan 0.000 0.491 506 N N 1.357 120.104 118.700 0.078 0.000 2.492 506 N HA 0.095 4.832 4.740 -0.004 0.000 0.262 506 N C -0.450 175.004 175.510 -0.094 0.000 1.202 506 N CA 0.575 53.608 53.050 -0.029 0.000 0.926 506 N CB 1.586 40.076 38.487 0.005 0.000 1.078 506 N HN 0.167 nan 8.380 nan 0.000 0.454 507 T N 0.005 114.415 114.554 -0.240 0.000 2.665 507 T HA 0.157 4.504 4.350 -0.004 0.000 0.303 507 T C -1.348 173.228 174.700 -0.206 0.000 1.334 507 T CA -0.660 61.279 62.100 -0.268 0.000 1.011 507 T CB 0.705 69.152 68.868 -0.702 0.000 1.573 507 T HN 0.233 nan 8.240 nan 0.000 0.492 508 E N 1.783 121.886 120.200 -0.161 0.000 2.392 508 E HA 0.274 4.622 4.350 -0.004 0.000 0.264 508 E C 0.010 176.522 176.600 -0.147 0.000 1.024 508 E CA 0.131 56.462 56.400 -0.115 0.000 0.903 508 E CB 0.854 30.508 29.700 -0.076 0.000 0.963 508 E HN 0.565 nan 8.360 nan 0.000 0.432 509 S N 1.564 117.202 115.700 -0.104 0.000 2.558 509 S HA -0.006 4.462 4.470 -0.004 0.000 0.288 509 S C 0.278 174.790 174.600 -0.146 0.000 1.318 509 S CA -0.427 57.714 58.200 -0.098 0.000 1.056 509 S CB 0.257 63.436 63.200 -0.034 0.000 0.853 509 S HN 0.323 nan 8.310 nan 0.000 0.505 510 L N 3.736 124.833 121.223 -0.210 0.000 2.360 510 L HA 0.321 4.659 4.340 -0.004 0.000 0.276 510 L C 1.253 177.787 176.870 -0.560 0.000 1.121 510 L CA 0.592 55.204 54.840 -0.380 0.000 0.845 510 L CB 0.728 42.507 42.059 -0.468 0.000 1.143 510 L HN 0.856 nan 8.230 nan 0.000 0.452 511 T N -0.977 113.303 114.554 -0.457 0.000 2.971 511 T HA 0.184 4.532 4.350 -0.004 0.000 0.252 511 T C 0.343 174.834 174.700 -0.348 0.000 1.022 511 T CA 0.034 61.947 62.100 -0.312 0.000 0.980 511 T CB -0.135 68.688 68.868 -0.076 0.000 1.044 511 T HN 0.525 nan 8.240 nan 0.000 0.501 512 D N 0.897 121.049 120.400 -0.414 0.000 2.485 512 D HA 0.306 4.944 4.640 -0.004 0.000 0.221 512 D C -0.480 175.643 176.300 -0.295 0.000 1.112 512 D CA -1.337 52.532 54.000 -0.219 0.000 0.911 512 D CB -0.122 40.600 40.800 -0.130 0.000 1.019 512 D HN 0.238 nan 8.370 nan 0.000 0.516 513 F N 1.409 121.347 119.950 -0.019 0.000 2.731 513 F HA 0.136 4.661 4.527 -0.004 0.000 0.304 513 F C 1.198 176.991 175.800 -0.012 0.000 1.133 513 F CA -0.592 57.396 58.000 -0.019 0.000 1.380 513 F CB -0.734 38.254 39.000 -0.020 0.000 1.079 513 F HN 0.211 nan 8.300 nan 0.000 0.550 514 N N 1.688 120.451 118.700 0.104 0.000 2.365 514 N HA 0.158 4.896 4.740 -0.004 0.000 0.265 514 N C -0.796 174.740 175.510 0.044 0.000 1.288 514 N CA 0.405 53.491 53.050 0.060 0.000 0.869 514 N CB 0.547 39.045 38.487 0.019 0.000 1.071 514 N HN 0.059 nan 8.380 nan 0.000 0.480 515 V N 2.877 122.821 119.914 0.051 0.000 3.167 515 V HA 0.281 4.399 4.120 -0.004 0.000 0.293 515 V C -1.751 174.352 176.094 0.014 0.000 1.379 515 V CA -0.988 61.344 62.300 0.055 0.000 1.019 515 V CB 2.192 34.104 31.823 0.149 0.000 1.115 515 V HN 0.658 nan 8.190 nan 0.000 0.442 516 D N 3.593 123.976 120.400 -0.029 0.000 2.280 516 D HA 0.453 5.091 4.640 -0.004 0.000 0.243 516 D C -0.428 175.751 176.300 -0.202 0.000 1.129 516 D CA 0.154 54.090 54.000 -0.106 0.000 0.848 516 D CB 1.921 42.635 40.800 -0.144 0.000 1.107 516 D HN 0.360 nan 8.370 nan 0.000 0.471 517 V N 4.586 124.325 119.914 -0.292 0.000 2.370 517 V HA 0.276 4.394 4.120 -0.004 0.000 0.279 517 V C -1.898 173.905 176.094 -0.485 0.000 1.029 517 V CA -1.496 60.456 62.300 -0.581 0.000 0.870 517 V CB 1.331 32.909 31.823 -0.408 0.000 0.984 517 V HN 0.369 nan 8.190 nan 0.000 0.451 518 P HA 0.297 nan 4.420 nan 0.000 0.272 518 P C -0.961 175.895 177.300 -0.739 0.000 1.223 518 P CA -0.146 62.588 63.100 -0.610 0.000 0.784 518 P CB 0.669 31.971 31.700 -0.664 0.000 0.923 519 V N 3.212 122.704 119.914 -0.703 0.000 2.487 519 V HA 0.378 4.496 4.120 -0.004 0.000 0.298 519 V C -0.729 175.016 176.094 -0.582 0.000 1.028 519 V CA -0.497 61.489 62.300 -0.525 0.000 0.860 519 V CB 0.735 32.405 31.823 -0.254 0.000 0.991 519 V HN 0.421 nan 8.190 nan 0.000 0.427 520 Y N 2.439 122.603 120.300 -0.228 0.000 2.549 520 Y HA 0.793 5.341 4.550 -0.004 0.000 0.339 520 Y C 0.336 176.321 175.900 0.141 0.000 1.053 520 Y CA -0.953 57.076 58.100 -0.119 0.000 1.105 520 Y CB 1.869 40.071 38.460 -0.429 0.000 1.258 520 Y HN 0.745 nan 8.280 nan 0.000 0.478 521 E N -0.061 120.422 120.200 0.471 0.000 2.375 521 E HA 0.414 4.762 4.350 -0.004 0.000 0.280 521 E C -1.828 174.835 176.600 0.106 0.000 0.972 521 E CA -1.338 55.254 56.400 0.319 0.000 0.782 521 E CB 1.791 31.565 29.700 0.124 0.000 1.229 521 E HN 0.477 nan 8.360 nan 0.000 0.439 522 K N 1.184 121.407 120.400 -0.295 0.000 2.230 522 K HA 0.112 4.430 4.320 -0.004 0.000 0.253 522 K C 0.089 176.582 176.600 -0.178 0.000 1.008 522 K CA -0.064 55.939 56.287 -0.474 0.000 0.910 522 K CB 0.529 32.675 32.500 -0.589 0.000 0.994 522 K HN 0.623 nan 8.250 nan 0.000 0.495 523 Q N -0.265 119.448 119.800 -0.144 0.000 2.528 523 Q HA 0.470 4.808 4.340 -0.004 0.000 0.289 523 Q C -2.887 173.088 176.000 -0.041 0.000 1.091 523 Q CA -2.562 53.197 55.803 -0.073 0.000 0.797 523 Q CB 1.384 30.080 28.738 -0.069 0.000 1.466 523 Q HN 0.148 nan 8.270 nan 0.000 0.436 524 P HA -0.041 nan 4.420 nan 0.000 0.264 524 P C -0.386 177.007 177.300 0.155 0.000 1.183 524 P CA 0.578 63.711 63.100 0.056 0.000 0.763 524 P CB 0.585 32.328 31.700 0.071 0.000 0.807 525 A N 4.119 127.010 122.820 0.119 0.000 2.208 525 A HA 0.116 4.434 4.320 -0.004 0.000 0.209 525 A C 0.752 178.404 177.584 0.114 0.000 1.161 525 A CA 0.797 52.946 52.037 0.187 0.000 0.782 525 A CB -0.468 18.580 19.000 0.080 0.000 0.816 525 A HN 0.516 nan 8.150 nan 0.000 0.477 526 I N -0.224 120.375 120.570 0.048 0.000 2.499 526 I HA 0.270 4.438 4.170 -0.004 0.000 0.288 526 I C -0.555 175.531 176.117 -0.051 0.000 1.048 526 I CA -0.530 60.720 61.300 -0.083 0.000 1.062 526 I CB 2.173 40.130 38.000 -0.071 0.000 1.238 526 I HN 0.012 nan 8.210 nan 0.000 0.426 527 K N 6.733 127.043 120.400 -0.149 0.000 2.358 527 K HA 0.412 4.730 4.320 -0.004 0.000 0.260 527 K C -0.873 175.672 176.600 -0.091 0.000 0.956 527 K CA -0.731 55.526 56.287 -0.050 0.000 0.834 527 K CB 1.689 34.202 32.500 0.021 0.000 1.102 527 K HN 0.484 nan 8.250 nan 0.000 0.431 528 K N 5.063 125.436 120.400 -0.046 0.000 2.227 528 K HA 0.276 4.594 4.320 -0.004 0.000 0.280 528 K C -0.520 176.063 176.600 -0.030 0.000 1.041 528 K CA -0.638 55.601 56.287 -0.080 0.000 0.905 528 K CB 0.487 32.953 32.500 -0.056 0.000 1.068 528 K HN 0.578 nan 8.250 nan 0.000 0.470 529 I N 0.273 120.775 120.570 -0.114 0.000 2.934 529 I HA 0.561 4.729 4.170 -0.004 0.000 0.306 529 I C -1.438 174.578 176.117 -0.169 0.000 1.110 529 I CA -0.734 60.558 61.300 -0.014 0.000 1.019 529 I CB 1.371 39.370 38.000 -0.001 0.000 1.227 529 I HN 0.323 nan 8.210 nan 0.000 0.434 530 F N 1.987 121.876 119.950 -0.101 0.000 2.458 530 F HA 0.812 5.337 4.527 -0.004 0.000 0.336 530 F C 0.404 176.094 175.800 -0.184 0.000 1.114 530 F CA -0.424 57.503 58.000 -0.121 0.000 0.987 530 F CB 2.107 41.060 39.000 -0.078 0.000 1.130 530 F HN 0.752 nan 8.300 nan 0.000 0.458 531 T N 1.800 116.281 114.554 -0.120 0.000 3.047 531 T HA 0.229 4.577 4.350 -0.004 0.000 0.340 531 T C -0.783 173.828 174.700 -0.149 0.000 1.421 531 T CA -0.649 61.311 62.100 -0.234 0.000 1.090 531 T CB 1.106 69.534 68.868 -0.733 0.000 1.292 531 T HN 0.580 nan 8.240 nan 0.000 0.480 532 D N 1.949 122.310 120.400 -0.065 0.000 2.395 532 D HA 0.131 4.769 4.640 -0.004 0.000 0.213 532 D C 0.216 176.534 176.300 0.029 0.000 1.110 532 D CA -0.083 53.915 54.000 -0.003 0.000 0.835 532 D CB 0.659 41.478 40.800 0.032 0.000 0.965 532 D HN 0.530 nan 8.370 nan 0.000 0.505 533 E N 1.290 121.488 120.200 -0.003 0.000 2.392 533 E HA 0.095 4.442 4.350 -0.004 0.000 0.264 533 E C 0.193 176.883 176.600 0.151 0.000 1.024 533 E CA 0.327 56.785 56.400 0.097 0.000 0.903 533 E CB 0.731 30.548 29.700 0.194 0.000 0.963 533 E HN -0.018 nan 8.360 nan 0.000 0.432 534 N N 1.937 120.736 118.700 0.166 0.000 2.851 534 N HA 0.101 4.839 4.740 -0.004 0.000 0.248 534 N C -0.218 175.362 175.510 0.116 0.000 1.221 534 N CA -0.041 53.133 53.050 0.207 0.000 0.847 534 N CB 1.364 39.971 38.487 0.199 0.000 1.150 534 N HN 0.339 nan 8.380 nan 0.000 0.507 535 T N -0.156 114.500 114.554 0.170 0.000 2.850 535 T HA 0.371 4.719 4.350 -0.004 0.000 0.269 535 T C 1.752 176.418 174.700 -0.058 0.000 1.075 535 T CA -0.592 61.500 62.100 -0.013 0.000 0.987 535 T CB 0.557 69.448 68.868 0.037 0.000 1.889 535 T HN 0.280 nan 8.240 nan 0.000 0.584 536 I N -0.074 120.334 120.570 -0.269 0.000 2.145 536 I HA -0.191 3.977 4.170 -0.004 0.000 0.244 536 I C 1.898 177.960 176.117 -0.092 0.000 1.075 536 I CA 1.981 63.124 61.300 -0.262 0.000 1.332 536 I CB -0.241 37.523 38.000 -0.393 0.000 1.033 536 I HN 0.682 nan 8.210 nan 0.000 0.410 537 F N 0.592 120.696 119.950 0.257 0.000 2.095 537 F HA -0.284 4.241 4.527 -0.003 0.000 0.298 537 F C 2.638 178.607 175.800 0.282 0.000 1.104 537 F CA 1.213 59.362 58.000 0.249 0.000 1.232 537 F CB -0.904 38.242 39.000 0.243 0.000 0.987 537 F HN 0.095 nan 8.300 nan 0.000 0.475 538 Q N -0.493 119.589 119.800 0.469 0.000 2.079 538 Q HA -0.155 4.183 4.340 -0.004 0.000 0.200 538 Q C 2.023 178.341 176.000 0.530 0.000 0.974 538 Q CA 1.445 57.530 55.803 0.470 0.000 0.840 538 Q CB -0.917 28.113 28.738 0.487 0.000 0.898 538 Q HN 0.428 nan 8.270 nan 0.000 0.430 539 Y N 0.258 120.705 120.300 0.244 0.000 2.165 539 Y HA -0.163 4.385 4.550 -0.003 0.000 0.286 539 Y C 1.884 177.956 175.900 0.287 0.000 1.155 539 Y CA 1.033 59.244 58.100 0.185 0.000 1.164 539 Y CB -0.221 38.201 38.460 -0.063 0.000 0.978 539 Y HN 0.072 nan 8.280 nan 0.000 0.513 540 L N -2.037 119.432 121.223 0.411 0.000 2.109 540 L HA -0.244 4.094 4.340 -0.004 0.000 0.207 540 L C 2.193 179.242 176.870 0.298 0.000 1.086 540 L CA 1.222 56.312 54.840 0.416 0.000 0.760 540 L CB -0.632 41.686 42.059 0.432 0.000 0.910 540 L HN 0.229 nan 8.230 nan 0.000 0.437 541 Y N 1.006 121.407 120.300 0.169 0.000 2.181 541 Y HA -0.293 4.254 4.550 -0.004 0.000 0.288 541 Y C 2.896 178.788 175.900 -0.014 0.000 1.146 541 Y CA 1.473 59.602 58.100 0.047 0.000 1.164 541 Y CB -0.330 38.181 38.460 0.086 0.000 0.982 541 Y HN 0.256 nan 8.280 nan 0.000 0.515 542 S N -0.514 115.211 115.700 0.042 0.000 2.500 542 S HA -0.210 4.258 4.470 -0.004 0.000 0.239 542 S C 1.363 175.942 174.600 -0.035 0.000 0.989 542 S CA 1.316 59.455 58.200 -0.102 0.000 0.951 542 S CB -0.504 62.615 63.200 -0.135 0.000 0.759 542 S HN 0.719 nan 8.310 nan 0.000 0.523 543 Q N 1.462 121.255 119.800 -0.012 0.000 2.280 543 Q HA 0.177 4.515 4.340 -0.004 0.000 0.201 543 Q C 0.542 176.400 176.000 -0.236 0.000 0.890 543 Q CA 0.395 56.203 55.803 0.007 0.000 0.947 543 Q CB 0.614 29.477 28.738 0.208 0.000 1.081 543 Q HN 0.817 nan 8.270 nan 0.000 0.502 544 T N -1.784 112.537 114.554 -0.388 0.000 2.919 544 T HA 0.724 5.072 4.350 -0.004 0.000 0.282 544 T C -0.425 174.178 174.700 -0.162 0.000 1.020 544 T CA -0.848 60.982 62.100 -0.451 0.000 0.994 544 T CB 1.239 69.715 68.868 -0.653 0.000 1.180 544 T HN 0.154 nan 8.240 nan 0.000 0.566 545 F N -2.561 117.232 119.950 -0.262 0.000 2.678 545 F HA 0.756 5.281 4.527 -0.004 0.000 0.308 545 F C -3.265 172.452 175.800 -0.138 0.000 1.118 545 F CA -2.492 55.393 58.000 -0.191 0.000 0.959 545 F CB -0.421 38.497 39.000 -0.137 0.000 1.305 545 F HN 0.437 nan 8.300 nan 0.000 0.443 546 P HA 0.286 nan 4.420 nan 0.000 0.269 546 P C 0.727 178.045 177.300 0.031 0.000 1.215 546 P CA -0.445 62.653 63.100 -0.004 0.000 0.780 546 P CB 0.904 32.620 31.700 0.027 0.000 0.898 547 L N 1.100 122.309 121.223 -0.024 0.000 2.201 547 L HA -0.141 4.197 4.340 -0.004 0.000 0.212 547 L C 1.320 178.219 176.870 0.048 0.000 1.105 547 L CA 1.374 56.213 54.840 -0.001 0.000 0.775 547 L CB -0.658 41.387 42.059 -0.025 0.000 0.913 547 L HN 0.486 nan 8.230 nan 0.000 0.440 548 D N -0.982 119.443 120.400 0.042 0.000 2.319 548 D HA 0.016 4.653 4.640 -0.004 0.000 0.230 548 D C 0.449 176.776 176.300 0.047 0.000 1.094 548 D CA 0.254 54.277 54.000 0.038 0.000 0.856 548 D CB 0.119 40.932 40.800 0.021 0.000 0.915 548 D HN 0.004 nan 8.370 nan 0.000 0.517 549 I N 1.242 121.862 120.570 0.083 0.000 2.441 549 I HA 0.305 4.473 4.170 -0.004 0.000 0.295 549 I C 1.197 177.342 176.117 0.048 0.000 0.994 549 I CA -0.691 60.640 61.300 0.051 0.000 1.144 549 I CB 2.007 40.044 38.000 0.063 0.000 1.314 549 I HN 0.091 nan 8.210 nan 0.000 0.445 550 R N 1.968 122.431 120.500 -0.061 0.000 2.521 550 R HA 0.281 4.619 4.340 -0.004 0.000 0.289 550 R C -0.581 175.507 176.300 -0.353 0.000 0.936 550 R CA -0.288 55.765 56.100 -0.080 0.000 1.089 550 R CB 0.555 30.895 30.300 0.068 0.000 1.348 550 R HN 0.399 nan 8.270 nan 0.000 0.536 551 D N 2.287 122.357 120.400 -0.550 0.000 2.453 551 D HA 0.336 4.973 4.640 -0.004 0.000 0.238 551 D C -0.327 175.651 176.300 -0.537 0.000 1.088 551 D CA -0.698 52.750 54.000 -0.920 0.000 0.854 551 D CB 1.061 41.151 40.800 -1.183 0.000 1.076 551 D HN 0.401 nan 8.370 nan 0.000 0.533 552 I N -0.070 120.210 120.570 -0.483 0.000 3.108 552 I HA 0.784 4.952 4.170 -0.004 0.000 0.312 552 I C -0.766 175.199 176.117 -0.254 0.000 1.095 552 I CA -0.994 60.084 61.300 -0.370 0.000 1.000 552 I CB 2.309 40.003 38.000 -0.510 0.000 1.229 552 I HN 0.275 nan 8.210 nan 0.000 0.454 553 S N 3.203 118.793 115.700 -0.183 0.000 2.541 553 S HA 0.679 5.146 4.470 -0.004 0.000 0.280 553 S C -0.733 173.811 174.600 -0.093 0.000 1.112 553 S CA -0.916 57.212 58.200 -0.120 0.000 0.925 553 S CB 1.613 64.747 63.200 -0.109 0.000 1.067 553 S HN 0.682 nan 8.310 nan 0.000 0.479 554 L N 1.843 123.023 121.223 -0.072 0.000 2.439 554 L HA 0.697 5.035 4.340 -0.004 0.000 0.261 554 L C 0.598 177.447 176.870 -0.035 0.000 1.153 554 L CA -0.295 54.512 54.840 -0.055 0.000 0.808 554 L CB 1.424 43.443 42.059 -0.067 0.000 1.126 554 L HN 0.909 nan 8.230 nan 0.000 0.460 555 T N -1.286 113.261 114.554 -0.011 0.000 2.932 555 T HA 0.214 4.562 4.350 -0.004 0.000 0.318 555 T C 0.398 175.130 174.700 0.054 0.000 1.265 555 T CA -0.174 61.944 62.100 0.029 0.000 1.036 555 T CB 1.535 70.437 68.868 0.056 0.000 1.209 555 T HN 0.688 nan 8.240 nan 0.000 0.484 556 S N 1.713 117.466 115.700 0.087 0.000 2.548 556 S HA 0.202 4.670 4.470 -0.004 0.000 0.215 556 S C 0.966 175.769 174.600 0.338 0.000 0.976 556 S CA -0.054 58.227 58.200 0.134 0.000 0.908 556 S CB 0.116 63.389 63.200 0.121 0.000 0.781 556 S HN 0.579 nan 8.310 nan 0.000 0.519 557 S N 1.223 117.090 115.700 0.279 0.000 2.416 557 S HA 0.370 4.838 4.470 -0.004 0.000 0.287 557 S C 0.403 175.166 174.600 0.272 0.000 1.139 557 S CA -0.890 57.468 58.200 0.265 0.000 1.058 557 S CB -0.233 63.061 63.200 0.155 0.000 0.967 557 S HN 0.401 nan 8.310 nan 0.000 0.495 558 F N 5.109 125.090 119.950 0.052 0.000 2.134 558 F HA -0.085 4.440 4.527 -0.003 0.000 0.299 558 F C 1.656 177.351 175.800 -0.174 0.000 1.097 558 F CA 1.877 59.665 58.000 -0.353 0.000 1.264 558 F CB -0.196 38.391 39.000 -0.689 0.000 1.001 558 F HN 0.585 nan 8.300 nan 0.000 0.479 559 D N 0.322 120.591 120.400 -0.218 0.000 2.117 559 D HA -0.169 4.468 4.640 -0.004 0.000 0.197 559 D C 1.795 177.993 176.300 -0.170 0.000 0.987 559 D CA 1.551 55.401 54.000 -0.250 0.000 0.829 559 D CB -0.518 40.282 40.800 0.000 0.000 0.961 559 D HN 0.352 nan 8.370 nan 0.000 0.460 560 D N 0.610 121.003 120.400 -0.013 0.000 2.144 560 D HA -0.056 4.582 4.640 -0.004 0.000 0.200 560 D C 2.048 178.416 176.300 0.112 0.000 0.978 560 D CA 1.047 55.134 54.000 0.145 0.000 0.833 560 D CB -0.267 40.626 40.800 0.156 0.000 0.961 560 D HN 0.117 nan 8.370 nan 0.000 0.470 561 A N 0.506 123.307 122.820 -0.033 0.000 1.902 561 A HA -0.111 4.207 4.320 -0.004 0.000 0.217 561 A C 2.312 179.793 177.584 -0.171 0.000 1.181 561 A CA 0.862 52.862 52.037 -0.062 0.000 0.623 561 A CB -0.696 18.278 19.000 -0.044 0.000 0.818 561 A HN 0.219 nan 8.150 nan 0.000 0.443 562 L N -1.334 119.684 121.223 -0.343 0.000 2.156 562 L HA -0.107 4.231 4.340 -0.004 0.000 0.208 562 L C 2.489 179.226 176.870 -0.221 0.000 1.095 562 L CA 0.703 55.359 54.840 -0.306 0.000 0.770 562 L CB -0.324 41.470 42.059 -0.441 0.000 0.914 562 L HN 0.409 nan 8.230 nan 0.000 0.439 563 L N -0.907 120.161 121.223 -0.259 0.000 2.095 563 L HA 0.040 4.378 4.340 -0.004 0.000 0.204 563 L C 0.187 176.666 176.870 -0.652 0.000 1.080 563 L CA 1.371 55.929 54.840 -0.469 0.000 0.759 563 L CB -0.029 41.671 42.059 -0.599 0.000 0.914 563 L HN -0.129 nan 8.230 nan 0.000 0.439 564 F N -0.900 119.000 119.950 -0.083 0.000 2.444 564 F HA 0.260 4.785 4.527 -0.004 0.000 0.342 564 F C 1.625 177.378 175.800 -0.079 0.000 1.121 564 F CA -0.166 57.791 58.000 -0.071 0.000 0.997 564 F CB 1.106 40.066 39.000 -0.066 0.000 1.130 564 F HN -0.074 nan 8.300 nan 0.000 0.454 565 S N 0.515 116.256 115.700 0.069 0.000 2.469 565 S HA -0.198 4.270 4.470 -0.004 0.000 0.238 565 S C 1.233 175.844 174.600 0.017 0.000 0.998 565 S CA 1.197 59.410 58.200 0.021 0.000 0.957 565 S CB -0.485 62.722 63.200 0.011 0.000 0.764 565 S HN 0.755 nan 8.310 nan 0.000 0.514 566 N N 0.701 119.415 118.700 0.024 0.000 2.270 566 N HA 0.095 4.832 4.740 -0.004 0.000 0.198 566 N C -0.419 175.043 175.510 -0.080 0.000 1.117 566 N CA -0.117 52.894 53.050 -0.066 0.000 0.845 566 N CB 0.031 38.466 38.487 -0.086 0.000 0.980 566 N HN 0.165 nan 8.380 nan 0.000 0.486 567 K N 1.010 121.404 120.400 -0.009 0.000 2.274 567 K HA 0.411 4.729 4.320 -0.004 0.000 0.262 567 K C -0.955 175.640 176.600 -0.009 0.000 0.961 567 K CA -0.703 55.578 56.287 -0.011 0.000 0.833 567 K CB 2.817 35.350 32.500 0.056 0.000 1.102 567 K HN -0.147 nan 8.250 nan 0.000 0.436 568 V N 3.706 123.610 119.914 -0.017 0.000 2.495 568 V HA 0.204 4.322 4.120 -0.004 0.000 0.298 568 V C -0.504 175.634 176.094 0.073 0.000 1.031 568 V CA -1.132 61.181 62.300 0.021 0.000 0.871 568 V CB 1.252 33.080 31.823 0.008 0.000 0.988 568 V HN 0.618 nan 8.190 nan 0.000 0.432 569 Y N 3.447 123.735 120.300 -0.020 0.000 2.425 569 Y HA 0.449 4.997 4.550 -0.004 0.000 0.331 569 Y C 0.534 176.450 175.900 0.026 0.000 1.157 569 Y CA 0.559 58.673 58.100 0.023 0.000 1.372 569 Y CB 1.141 39.635 38.460 0.056 0.000 1.253 569 Y HN 0.662 nan 8.280 nan 0.000 0.536 570 S N 6.064 121.367 115.700 -0.662 0.000 2.571 570 S HA 0.386 4.854 4.470 -0.004 0.000 0.284 570 S C -0.280 173.797 174.600 -0.873 0.000 1.128 570 S CA -0.789 57.006 58.200 -0.675 0.000 0.970 570 S CB 0.071 63.093 63.200 -0.297 0.000 1.039 570 S HN 0.635 nan 8.310 nan 0.000 0.485 571 F N 2.676 122.224 119.950 -0.670 0.000 2.693 571 F HA 0.543 5.067 4.527 -0.004 0.000 0.303 571 F C 0.052 175.770 175.800 -0.135 0.000 1.097 571 F CA -1.001 56.770 58.000 -0.380 0.000 1.330 571 F CB -0.470 38.420 39.000 -0.183 0.000 1.067 571 F HN 0.336 nan 8.300 nan 0.000 0.565 572 F N 1.234 120.931 119.950 -0.421 0.000 2.352 572 F HA 0.327 4.852 4.527 -0.004 0.000 0.304 572 F C 1.503 177.264 175.800 -0.065 0.000 1.215 572 F CA -1.130 56.673 58.000 -0.328 0.000 1.121 572 F CB 0.670 39.279 39.000 -0.652 0.000 1.329 572 F HN -0.016 nan 8.300 nan 0.000 0.528 573 S N 1.031 116.837 115.700 0.177 0.000 2.569 573 S HA -0.099 4.369 4.470 -0.004 0.000 0.274 573 S C 0.885 175.583 174.600 0.164 0.000 1.353 573 S CA -0.642 57.642 58.200 0.141 0.000 1.023 573 S CB 0.659 63.905 63.200 0.076 0.000 0.876 573 S HN 0.860 nan 8.310 nan 0.000 0.540 574 M N 0.476 120.144 119.600 0.115 0.000 2.159 574 M HA -0.153 4.325 4.480 -0.004 0.000 0.263 574 M C 1.673 178.021 176.300 0.079 0.000 1.063 574 M CA 2.511 57.865 55.300 0.090 0.000 1.110 574 M CB -0.685 31.960 32.600 0.075 0.000 1.374 574 M HN 0.980 nan 8.290 nan 0.000 0.411 575 D N -0.819 119.631 120.400 0.082 0.000 2.117 575 D HA -0.248 4.390 4.640 -0.004 0.000 0.198 575 D C 1.880 178.227 176.300 0.079 0.000 0.982 575 D CA 1.382 55.422 54.000 0.067 0.000 0.828 575 D CB -0.317 40.516 40.800 0.056 0.000 0.967 575 D HN 0.539 nan 8.370 nan 0.000 0.464 576 Y N 0.957 121.257 120.300 -0.001 0.000 2.165 576 Y HA -0.144 4.405 4.550 -0.003 0.000 0.286 576 Y C 1.852 177.774 175.900 0.037 0.000 1.155 576 Y CA 1.567 59.667 58.100 -0.000 0.000 1.164 576 Y CB -0.359 38.092 38.460 -0.016 0.000 0.978 576 Y HN 0.068 nan 8.280 nan 0.000 0.513 577 I N 0.171 120.692 120.570 -0.081 0.000 2.226 577 I HA -0.306 3.861 4.170 -0.004 0.000 0.245 577 I C 2.417 178.462 176.117 -0.119 0.000 1.100 577 I CA 1.635 62.842 61.300 -0.155 0.000 1.374 577 I CB -0.417 37.579 38.000 -0.006 0.000 1.057 577 I HN 0.158 nan 8.210 nan 0.000 0.413 578 K N 0.223 120.597 120.400 -0.044 0.000 2.057 578 K HA -0.122 4.196 4.320 -0.004 0.000 0.206 578 K C 2.106 178.714 176.600 0.014 0.000 1.050 578 K CA 1.856 58.138 56.287 -0.009 0.000 0.935 578 K CB -0.209 32.300 32.500 0.016 0.000 0.715 578 K HN 0.293 nan 8.250 nan 0.000 0.439 579 T N 0.923 115.481 114.554 0.005 0.000 2.788 579 T HA -0.121 4.227 4.350 -0.004 0.000 0.268 579 T C 1.932 176.749 174.700 0.195 0.000 1.044 579 T CA 1.253 63.410 62.100 0.095 0.000 1.139 579 T CB -0.195 68.686 68.868 0.023 0.000 0.867 579 T HN 0.293 nan 8.240 nan 0.000 0.454 580 A N 2.394 125.184 122.820 -0.050 0.000 1.972 580 A HA -0.093 4.225 4.320 -0.004 0.000 0.219 580 A C 2.006 179.709 177.584 0.199 0.000 1.169 580 A CA 1.177 53.221 52.037 0.012 0.000 0.635 580 A CB -0.344 18.448 19.000 -0.346 0.000 0.810 580 A HN 0.398 nan 8.150 nan 0.000 0.446 581 N N -0.355 118.391 118.700 0.077 0.000 2.322 581 N HA 0.039 4.777 4.740 -0.004 0.000 0.194 581 N C 0.284 175.806 175.510 0.021 0.000 1.126 581 N CA 0.190 53.263 53.050 0.038 0.000 0.845 581 N CB 0.103 38.581 38.487 -0.016 0.000 0.976 581 N HN 0.552 nan 8.380 nan 0.000 0.475 582 K N 1.181 121.627 120.400 0.076 0.000 2.270 582 K HA 0.227 4.545 4.320 -0.004 0.000 0.276 582 K C -0.654 175.792 176.600 -0.257 0.000 1.023 582 K CA -0.086 56.188 56.287 -0.022 0.000 0.955 582 K CB 0.881 33.444 32.500 0.106 0.000 0.975 582 K HN -0.274 nan 8.250 nan 0.000 0.471 583 V N 5.327 125.118 119.914 -0.206 0.000 2.459 583 V HA 0.385 4.503 4.120 -0.004 0.000 0.295 583 V C -0.307 175.679 176.094 -0.180 0.000 1.029 583 V CA -0.680 61.475 62.300 -0.241 0.000 0.874 583 V CB 1.418 33.154 31.823 -0.145 0.000 0.985 583 V HN 0.683 nan 8.190 nan 0.000 0.438 584 V N 1.252 121.071 119.914 -0.158 0.000 3.102 584 V HA 0.738 4.856 4.120 -0.004 0.000 0.312 584 V C -0.379 175.770 176.094 0.092 0.000 1.135 584 V CA -0.942 61.344 62.300 -0.023 0.000 1.022 584 V CB 2.154 33.978 31.823 0.002 0.000 1.056 584 V HN 0.661 nan 8.190 nan 0.000 0.436 585 E N 0.892 121.140 120.200 0.079 0.000 2.408 585 E HA 0.408 4.756 4.350 -0.004 0.000 0.259 585 E C 1.380 178.001 176.600 0.035 0.000 1.110 585 E CA 0.514 56.960 56.400 0.077 0.000 0.929 585 E CB 1.494 31.211 29.700 0.027 0.000 0.971 585 E HN 0.992 nan 8.360 nan 0.000 0.438 586 A N 2.798 125.518 122.820 -0.167 0.000 1.903 586 A HA -0.220 4.098 4.320 -0.004 0.000 0.219 586 A C 2.045 179.519 177.584 -0.183 0.000 1.191 586 A CA 2.406 54.105 52.037 -0.564 0.000 0.638 586 A CB -1.101 17.506 19.000 -0.656 0.000 0.823 586 A HN 0.690 nan 8.150 nan 0.000 0.451 587 G N -0.905 107.844 108.800 -0.086 0.000 2.479 587 G HA2 -0.040 3.917 3.960 -0.004 0.000 0.220 587 G HA3 -0.040 3.917 3.960 -0.004 0.000 0.220 587 G C 1.238 176.159 174.900 0.035 0.000 1.115 587 G CA 1.051 46.139 45.100 -0.021 0.000 0.757 587 G HN 0.490 nan 8.290 nan 0.000 0.560 588 L N -1.007 120.261 121.223 0.075 0.000 2.693 588 L HA 0.370 4.708 4.340 -0.004 0.000 0.235 588 L C 1.890 178.888 176.870 0.213 0.000 1.127 588 L CA -0.513 54.397 54.840 0.117 0.000 0.914 588 L CB 0.046 42.167 42.059 0.102 0.000 1.193 588 L HN 0.074 nan 8.230 nan 0.000 0.502 589 F N 1.950 121.940 119.950 0.067 0.000 2.102 589 F HA -0.194 4.331 4.527 -0.003 0.000 0.298 589 F C 2.456 178.390 175.800 0.222 0.000 1.105 589 F CA 1.511 59.617 58.000 0.176 0.000 1.239 589 F CB -0.126 38.962 39.000 0.147 0.000 0.991 589 F HN 0.071 nan 8.300 nan 0.000 0.474 590 A N 0.139 123.021 122.820 0.103 0.000 1.908 590 A HA -0.109 4.209 4.320 -0.004 0.000 0.218 590 A C 2.509 180.049 177.584 -0.072 0.000 1.181 590 A CA 1.840 53.849 52.037 -0.047 0.000 0.627 590 A CB -1.807 17.195 19.000 0.003 0.000 0.818 590 A HN 0.510 nan 8.150 nan 0.000 0.445 591 G N -1.787 107.018 108.800 0.008 0.000 2.418 591 G HA2 -0.277 3.681 3.960 -0.004 0.000 0.217 591 G HA3 -0.277 3.681 3.960 -0.004 0.000 0.217 591 G C 1.400 176.305 174.900 0.008 0.000 1.158 591 G CA 1.066 46.170 45.100 0.006 0.000 0.771 591 G HN 0.734 nan 8.290 nan 0.000 0.545 592 W N 0.994 122.210 121.300 -0.139 0.000 2.363 592 W HA -0.053 4.606 4.660 -0.003 0.000 0.296 592 W C 2.326 178.708 176.519 -0.228 0.000 1.212 592 W CA 1.501 58.757 57.345 -0.148 0.000 1.260 592 W CB -0.255 29.139 29.460 -0.111 0.000 1.131 592 W HN 0.028 nan 8.180 nan 0.000 0.530 593 V N 1.610 121.303 119.914 -0.368 0.000 2.295 593 V HA -0.344 3.774 4.120 -0.004 0.000 0.246 593 V C 2.577 178.388 176.094 -0.471 0.000 1.049 593 V CA 2.452 64.389 62.300 -0.604 0.000 1.024 593 V CB -1.082 30.434 31.823 -0.513 0.000 0.648 593 V HN 0.232 nan 8.190 nan 0.000 0.447 594 K N -0.234 119.982 120.400 -0.307 0.000 2.044 594 K HA -0.301 4.017 4.320 -0.004 0.000 0.210 594 K C 2.276 178.739 176.600 -0.229 0.000 1.049 594 K CA 2.258 58.411 56.287 -0.224 0.000 0.927 594 K CB -0.215 32.195 32.500 -0.149 0.000 0.713 594 K HN 0.550 nan 8.250 nan 0.000 0.443 595 Q N 0.400 120.049 119.800 -0.250 0.000 1.948 595 Q HA -0.212 4.126 4.340 -0.004 0.000 0.205 595 Q C 2.182 178.018 176.000 -0.273 0.000 0.992 595 Q CA 1.999 57.668 55.803 -0.224 0.000 0.849 595 Q CB -0.246 28.375 28.738 -0.195 0.000 0.918 595 Q HN 0.382 nan 8.270 nan 0.000 0.421 596 I N 0.221 120.489 120.570 -0.504 0.000 2.335 596 I HA -0.229 3.939 4.170 -0.004 0.000 0.251 596 I C 1.999 178.006 176.117 -0.184 0.000 1.129 596 I CA 1.019 62.061 61.300 -0.430 0.000 1.402 596 I CB -0.226 37.251 38.000 -0.873 0.000 1.069 596 I HN 0.125 nan 8.210 nan 0.000 0.424 597 V N 0.670 120.433 119.914 -0.251 0.000 2.358 597 V HA -0.273 3.845 4.120 -0.004 0.000 0.246 597 V C 2.313 178.392 176.094 -0.024 0.000 1.047 597 V CA 2.116 64.339 62.300 -0.128 0.000 1.035 597 V CB -1.096 30.608 31.823 -0.199 0.000 0.658 597 V HN 0.533 nan 8.190 nan 0.000 0.452 598 N N 0.601 119.255 118.700 -0.076 0.000 2.120 598 N HA -0.192 4.545 4.740 -0.004 0.000 0.188 598 N C 1.446 176.936 175.510 -0.034 0.000 1.024 598 N CA 1.745 54.764 53.050 -0.052 0.000 0.852 598 N CB -0.245 38.197 38.487 -0.075 0.000 1.003 598 N HN 0.420 nan 8.380 nan 0.000 0.424 599 D N -0.668 119.720 120.400 -0.019 0.000 2.178 599 D HA -0.149 4.489 4.640 -0.004 0.000 0.201 599 D C 1.497 177.743 176.300 -0.090 0.000 0.980 599 D CA 0.587 54.582 54.000 -0.008 0.000 0.842 599 D CB -0.423 40.441 40.800 0.108 0.000 0.948 599 D HN 0.366 nan 8.370 nan 0.000 0.472 600 F N 1.103 120.972 119.950 -0.135 0.000 2.113 600 F HA -0.198 4.326 4.527 -0.004 0.000 0.297 600 F C 2.162 177.767 175.800 -0.324 0.000 1.103 600 F CA 1.010 58.843 58.000 -0.279 0.000 1.248 600 F CB -0.115 38.861 39.000 -0.040 0.000 0.999 600 F HN -0.212 nan 8.300 nan 0.000 0.475 601 V N 0.934 120.870 119.914 0.036 0.000 2.407 601 V HA -0.314 3.803 4.120 -0.004 0.000 0.248 601 V C 2.400 178.378 176.094 -0.194 0.000 1.055 601 V CA 2.012 64.295 62.300 -0.029 0.000 1.049 601 V CB -0.626 31.216 31.823 0.032 0.000 0.662 601 V HN 0.384 nan 8.190 nan 0.000 0.455 602 I N -0.370 120.072 120.570 -0.214 0.000 2.179 602 I HA -0.180 3.988 4.170 -0.004 0.000 0.242 602 I C 2.705 178.606 176.117 -0.360 0.000 1.088 602 I CA 1.335 62.502 61.300 -0.223 0.000 1.357 602 I CB -0.431 37.466 38.000 -0.170 0.000 1.051 602 I HN 0.321 nan 8.210 nan 0.000 0.409 603 E N 1.047 120.853 120.200 -0.656 0.000 2.051 603 E HA -0.211 4.137 4.350 -0.004 0.000 0.192 603 E C 2.326 178.376 176.600 -0.916 0.000 0.991 603 E CA 1.565 57.337 56.400 -1.046 0.000 0.799 603 E CB -0.343 28.068 29.700 -2.148 0.000 0.748 603 E HN 0.497 nan 8.360 nan 0.000 0.449 604 A N 1.416 123.692 122.820 -0.906 0.000 1.972 604 A HA -0.179 4.139 4.320 -0.004 0.000 0.219 604 A C 1.888 179.453 177.584 -0.031 0.000 1.169 604 A CA 1.525 53.352 52.037 -0.350 0.000 0.635 604 A CB -0.811 18.004 19.000 -0.307 0.000 0.810 604 A HN 0.284 nan 8.150 nan 0.000 0.446 605 N N -0.542 118.090 118.700 -0.115 0.000 2.453 605 N HA -0.087 4.650 4.740 -0.004 0.000 0.183 605 N C 1.210 176.702 175.510 -0.031 0.000 1.041 605 N CA 0.566 53.587 53.050 -0.048 0.000 0.900 605 N CB -0.095 38.349 38.487 -0.072 0.000 0.961 605 N HN 0.465 nan 8.380 nan 0.000 0.443 606 K N 0.647 121.041 120.400 -0.011 0.000 2.519 606 K HA -0.045 4.273 4.320 -0.004 0.000 0.196 606 K C 1.674 178.225 176.600 -0.081 0.000 1.041 606 K CA 0.728 57.008 56.287 -0.013 0.000 0.954 606 K CB 0.019 32.546 32.500 0.044 0.000 0.774 606 K HN 0.241 nan 8.250 nan 0.000 0.480 607 S N 1.235 116.898 115.700 -0.062 0.000 2.555 607 S HA -0.093 4.375 4.470 -0.004 0.000 0.230 607 S C 1.061 175.554 174.600 -0.178 0.000 0.978 607 S CA 0.920 58.986 58.200 -0.223 0.000 0.934 607 S CB -0.365 62.786 63.200 -0.081 0.000 0.766 607 S HN 0.392 nan 8.310 nan 0.000 0.533 608 N N 0.432 119.064 118.700 -0.113 0.000 2.251 608 N HA 0.103 4.840 4.740 -0.004 0.000 0.217 608 N C -0.474 174.973 175.510 -0.105 0.000 1.124 608 N CA -0.210 52.785 53.050 -0.092 0.000 0.843 608 N CB -0.591 37.864 38.487 -0.054 0.000 1.024 608 N HN 0.043 nan 8.380 nan 0.000 0.501 609 T N 1.518 115.989 114.554 -0.139 0.000 2.934 609 T HA 0.071 4.419 4.350 -0.004 0.000 0.306 609 T C 0.377 175.007 174.700 -0.116 0.000 1.042 609 T CA 0.366 62.392 62.100 -0.124 0.000 1.145 609 T CB 0.369 69.155 68.868 -0.136 0.000 0.982 609 T HN 0.201 nan 8.240 nan 0.000 0.544 610 M N 2.382 121.929 119.600 -0.089 0.000 2.528 610 M HA 0.376 4.853 4.480 -0.004 0.000 0.318 610 M C 0.101 176.362 176.300 -0.064 0.000 1.195 610 M CA -0.509 54.747 55.300 -0.073 0.000 1.000 610 M CB 1.344 33.900 32.600 -0.073 0.000 1.615 610 M HN 0.463 nan 8.290 nan 0.000 0.469 611 D N 0.224 120.597 120.400 -0.044 0.000 3.078 611 D HA 0.164 4.802 4.640 -0.004 0.000 0.363 611 D C 0.517 176.800 176.300 -0.028 0.000 1.391 611 D CA 0.000 53.982 54.000 -0.030 0.000 0.754 611 D CB 0.425 41.221 40.800 -0.006 0.000 1.238 611 D HN 0.288 nan 8.370 nan 0.000 0.500 612 K N 0.251 120.622 120.400 -0.047 0.000 2.113 612 K HA -0.141 4.177 4.320 -0.004 0.000 0.208 612 K C 1.764 178.325 176.600 -0.064 0.000 1.047 612 K CA 0.690 56.946 56.287 -0.052 0.000 0.928 612 K CB -0.090 32.369 32.500 -0.068 0.000 0.716 612 K HN 0.369 nan 8.250 nan 0.000 0.446 613 I N 0.938 121.467 120.570 -0.069 0.000 2.454 613 I HA -0.170 3.998 4.170 -0.004 0.000 0.254 613 I C 1.573 177.612 176.117 -0.130 0.000 1.156 613 I CA 1.114 62.354 61.300 -0.100 0.000 1.433 613 I CB -0.242 37.728 38.000 -0.049 0.000 1.082 613 I HN 0.077 nan 8.210 nan 0.000 0.432 614 A N -0.874 121.905 122.820 -0.067 0.000 2.345 614 A HA 0.154 4.471 4.320 -0.004 0.000 0.225 614 A C 0.622 178.177 177.584 -0.048 0.000 1.243 614 A CA 0.409 52.416 52.037 -0.050 0.000 0.875 614 A CB -0.341 18.656 19.000 -0.004 0.000 0.929 614 A HN 0.483 nan 8.150 nan 0.000 0.502 615 D N -0.886 119.481 120.400 -0.054 0.000 2.775 615 D HA -0.138 4.500 4.640 -0.004 0.000 0.235 615 D C -0.478 175.817 176.300 -0.009 0.000 1.120 615 D CA 1.043 55.020 54.000 -0.037 0.000 0.708 615 D CB -1.335 39.429 40.800 -0.060 0.000 1.084 615 D HN 0.551 nan 8.370 nan 0.000 0.434 616 I N 0.563 121.142 120.570 0.016 0.000 2.476 616 I HA 0.076 4.244 4.170 -0.004 0.000 0.281 616 I C 1.355 177.497 176.117 0.042 0.000 1.040 616 I CA -0.471 60.870 61.300 0.068 0.000 1.094 616 I CB 1.809 39.896 38.000 0.144 0.000 1.219 616 I HN -0.254 nan 8.210 nan 0.000 0.450 617 S N 4.680 120.402 115.700 0.037 0.000 2.368 617 S HA -0.015 4.453 4.470 -0.004 0.000 0.224 617 S C 0.326 174.932 174.600 0.009 0.000 1.029 617 S CA 0.968 59.176 58.200 0.013 0.000 0.988 617 S CB -0.006 63.200 63.200 0.009 0.000 0.838 617 S HN 0.470 nan 8.310 nan 0.000 0.462 618 L N 0.346 121.598 121.223 0.049 0.000 2.408 618 L HA 0.789 5.127 4.340 -0.004 0.000 0.268 618 L C -1.413 175.414 176.870 -0.072 0.000 0.986 618 L CA -0.705 54.139 54.840 0.006 0.000 0.820 618 L CB 1.942 44.045 42.059 0.073 0.000 1.303 618 L HN 0.112 nan 8.230 nan 0.000 0.411 619 I N 4.387 124.757 120.570 -0.332 0.000 2.649 619 I HA 0.478 4.646 4.170 -0.004 0.000 0.289 619 I C -1.482 174.182 176.117 -0.755 0.000 1.222 619 I CA -0.276 60.599 61.300 -0.708 0.000 1.046 619 I CB 2.309 40.093 38.000 -0.361 0.000 1.272 619 I HN 0.269 nan 8.210 nan 0.000 0.425 620 V N 10.785 130.007 119.914 -1.153 0.000 2.304 620 V HA 0.339 4.456 4.120 -0.004 0.000 0.262 620 V C -1.379 174.336 176.094 -0.631 0.000 1.061 620 V CA -0.942 60.844 62.300 -0.856 0.000 0.872 620 V CB 0.620 31.935 31.823 -0.846 0.000 1.077 620 V HN 0.706 nan 8.190 nan 0.000 0.480 621 P HA -0.185 nan 4.420 nan 0.000 0.219 621 P C 0.991 178.255 177.300 -0.061 0.000 1.146 621 P CA 1.586 64.625 63.100 -0.102 0.000 0.808 621 P CB 0.075 31.748 31.700 -0.045 0.000 0.779 622 Y N -2.571 117.692 120.300 -0.060 0.000 2.466 622 Y HA 0.327 4.876 4.550 -0.003 0.000 0.272 622 Y C 2.140 177.847 175.900 -0.322 0.000 1.169 622 Y CA -1.097 56.968 58.100 -0.059 0.000 1.285 622 Y CB -1.716 36.863 38.460 0.199 0.000 1.078 622 Y HN -0.209 nan 8.280 nan 0.000 0.523 623 I N 1.250 121.546 120.570 -0.457 0.000 2.208 623 I HA -0.255 3.913 4.170 -0.004 0.000 0.245 623 I C 2.651 178.426 176.117 -0.571 0.000 1.097 623 I CA 1.768 62.760 61.300 -0.513 0.000 1.363 623 I CB -0.700 36.957 38.000 -0.571 0.000 1.051 623 I HN 0.508 nan 8.210 nan 0.000 0.413 624 G N 0.844 109.144 108.800 -0.834 0.000 2.418 624 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.217 624 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.217 624 G C 1.701 176.474 174.900 -0.211 0.000 1.158 624 G CA 0.444 45.241 45.100 -0.505 0.000 0.771 624 G HN 0.281 nan 8.290 nan 0.000 0.545 625 L N 0.510 121.701 121.223 -0.053 0.000 2.141 625 L HA 0.032 4.370 4.340 -0.004 0.000 0.209 625 L C 3.313 180.360 176.870 0.296 0.000 1.094 625 L CA 0.793 55.757 54.840 0.207 0.000 0.763 625 L CB -0.217 42.029 42.059 0.313 0.000 0.908 625 L HN 0.318 nan 8.230 nan 0.000 0.437 626 A N -0.306 122.426 122.820 -0.146 0.000 1.929 626 A HA -0.022 4.296 4.320 -0.004 0.000 0.216 626 A C 2.018 179.607 177.584 0.008 0.000 1.176 626 A CA 1.258 53.043 52.037 -0.420 0.000 0.628 626 A CB -0.133 18.045 19.000 -1.369 0.000 0.816 626 A HN 0.414 nan 8.150 nan 0.000 0.444 627 L N -2.993 118.148 121.223 -0.137 0.000 2.803 627 L HA 0.221 4.558 4.340 -0.004 0.000 0.246 627 L C 0.708 177.293 176.870 -0.475 0.000 1.100 627 L CA 0.384 55.132 54.840 -0.154 0.000 0.919 627 L CB 0.016 41.981 42.059 -0.157 0.000 1.285 627 L HN 0.403 nan 8.230 nan 0.000 0.522 628 N N 1.000 119.319 118.700 -0.636 0.000 2.727 628 N HA -0.192 4.546 4.740 -0.004 0.000 0.249 628 N C -0.330 174.906 175.510 -0.456 0.000 1.048 628 N CA 0.534 53.135 53.050 -0.749 0.000 0.714 628 N CB -0.991 36.548 38.487 -1.579 0.000 0.959 628 N HN 0.175 nan 8.380 nan 0.000 0.544 629 V N -0.299 119.433 119.914 -0.303 0.000 3.083 629 V HA 0.676 4.794 4.120 -0.004 0.000 0.306 629 V C 1.733 177.717 176.094 -0.184 0.000 1.077 629 V CA 0.936 63.101 62.300 -0.225 0.000 1.073 629 V CB 0.799 32.545 31.823 -0.129 0.000 1.081 629 V HN 0.929 nan 8.190 nan 0.000 0.474 630 G N 3.714 112.370 108.800 -0.239 0.000 2.574 630 G HA2 -0.330 3.628 3.960 -0.004 0.000 0.286 630 G HA3 -0.330 3.628 3.960 -0.004 0.000 0.286 630 G C 0.289 175.108 174.900 -0.134 0.000 1.212 630 G CA 0.502 45.485 45.100 -0.195 0.000 0.979 630 G HN 1.131 nan 8.290 nan 0.000 0.557 631 N N 2.981 121.645 118.700 -0.059 0.000 2.895 631 N HA 0.202 4.940 4.740 -0.004 0.000 0.277 631 N C 0.371 175.875 175.510 -0.011 0.000 1.185 631 N CA 0.803 53.836 53.050 -0.029 0.000 1.106 631 N CB -0.979 37.505 38.487 -0.005 0.000 1.422 631 N HN 0.579 nan 8.380 nan 0.000 0.521 632 E N 0.068 120.239 120.200 -0.049 0.000 2.106 632 E HA -0.232 4.116 4.350 -0.004 0.000 0.175 632 E C 0.344 176.936 176.600 -0.014 0.000 1.448 632 E CA 0.766 57.131 56.400 -0.059 0.000 0.672 632 E CB -1.175 28.512 29.700 -0.022 0.000 1.057 632 E HN 0.669 nan 8.360 nan 0.000 0.321 633 T N -3.154 111.390 114.554 -0.018 0.000 3.163 633 T HA 0.178 4.526 4.350 -0.004 0.000 0.260 633 T C 1.577 176.309 174.700 0.054 0.000 1.156 633 T CA 0.545 62.710 62.100 0.109 0.000 1.072 633 T CB 0.344 69.285 68.868 0.121 0.000 0.937 633 T HN 0.376 nan 8.240 nan 0.000 0.528 634 A N 1.049 123.830 122.820 -0.065 0.000 2.081 634 A HA 0.265 4.583 4.320 -0.004 0.000 0.214 634 A C 1.117 178.752 177.584 0.086 0.000 1.158 634 A CA 0.049 52.074 52.037 -0.020 0.000 0.724 634 A CB -0.051 18.856 19.000 -0.155 0.000 0.826 634 A HN 0.475 nan 8.150 nan 0.000 0.463 635 K N -0.209 120.234 120.400 0.073 0.000 2.144 635 K HA 0.464 4.782 4.320 -0.004 0.000 0.270 635 K C 0.913 177.580 176.600 0.113 0.000 1.005 635 K CA 0.352 56.697 56.287 0.096 0.000 0.932 635 K CB 0.874 33.416 32.500 0.071 0.000 1.021 635 K HN 0.459 nan 8.250 nan 0.000 0.462 636 G N 2.357 111.224 108.800 0.111 0.000 2.552 636 G HA2 -0.307 3.650 3.960 -0.004 0.000 0.265 636 G HA3 -0.307 3.650 3.960 -0.004 0.000 0.265 636 G C -0.577 174.401 174.900 0.130 0.000 1.234 636 G CA -0.406 44.758 45.100 0.107 0.000 0.944 636 G HN 0.700 nan 8.290 nan 0.000 0.568 637 N N 0.451 119.222 118.700 0.119 0.000 2.424 637 N HA 0.410 5.148 4.740 -0.004 0.000 0.271 637 N C 0.995 176.597 175.510 0.154 0.000 0.985 637 N CA -0.175 52.956 53.050 0.135 0.000 0.921 637 N CB 1.101 39.646 38.487 0.096 0.000 1.149 637 N HN 0.453 nan 8.380 nan 0.000 0.492 638 F N 4.049 124.037 119.950 0.064 0.000 2.102 638 F HA -0.117 4.408 4.527 -0.005 0.000 0.298 638 F C 2.228 178.084 175.800 0.094 0.000 1.105 638 F CA 1.685 59.725 58.000 0.066 0.000 1.239 638 F CB -0.030 38.986 39.000 0.027 0.000 0.991 638 F HN 0.700 nan 8.300 nan 0.000 0.474 639 E N 0.044 120.229 120.200 -0.025 0.000 2.049 639 E HA -0.360 3.988 4.350 -0.004 0.000 0.198 639 E C 2.113 178.679 176.600 -0.057 0.000 1.007 639 E CA 1.717 58.068 56.400 -0.083 0.000 0.809 639 E CB -0.464 29.238 29.700 0.003 0.000 0.749 639 E HN 0.493 nan 8.360 nan 0.000 0.450 640 N N 0.158 118.848 118.700 -0.016 0.000 2.069 640 N HA -0.185 4.553 4.740 -0.004 0.000 0.191 640 N C 1.667 177.153 175.510 -0.039 0.000 1.031 640 N CA 2.078 55.125 53.050 -0.005 0.000 0.852 640 N CB -0.370 38.130 38.487 0.022 0.000 1.018 640 N HN 0.235 nan 8.380 nan 0.000 0.423 641 A N -0.580 122.202 122.820 -0.063 0.000 1.940 641 A HA -0.109 4.209 4.320 -0.004 0.000 0.219 641 A C 2.179 179.689 177.584 -0.123 0.000 1.176 641 A CA 1.273 53.265 52.037 -0.075 0.000 0.631 641 A CB -1.190 17.787 19.000 -0.038 0.000 0.814 641 A HN 0.499 nan 8.150 nan 0.000 0.446 642 F N 0.775 120.485 119.950 -0.401 0.000 2.186 642 F HA -0.090 4.434 4.527 -0.006 0.000 0.299 642 F C 2.156 177.861 175.800 -0.157 0.000 1.090 642 F CA 1.921 59.714 58.000 -0.345 0.000 1.307 642 F CB -0.225 38.464 39.000 -0.519 0.000 1.019 642 F HN 0.359 nan 8.300 nan 0.000 0.489 643 E N 0.211 120.364 120.200 -0.079 0.000 2.110 643 E HA -0.208 4.140 4.350 -0.004 0.000 0.193 643 E C 2.297 178.806 176.600 -0.152 0.000 0.988 643 E CA 1.648 57.989 56.400 -0.098 0.000 0.804 643 E CB -0.172 29.519 29.700 -0.015 0.000 0.745 643 E HN 0.484 nan 8.360 nan 0.000 0.458 644 I N 0.183 120.674 120.570 -0.131 0.000 2.277 644 I HA -0.159 4.009 4.170 -0.004 0.000 0.243 644 I C 2.250 178.277 176.117 -0.150 0.000 1.094 644 I CA 1.074 62.305 61.300 -0.114 0.000 1.393 644 I CB -0.033 37.922 38.000 -0.076 0.000 1.078 644 I HN 0.059 nan 8.210 nan 0.000 0.417 645 A N -0.226 122.484 122.820 -0.184 0.000 2.167 645 A HA 0.499 4.816 4.320 -0.004 0.000 0.208 645 A C 1.326 178.748 177.584 -0.271 0.000 1.198 645 A CA 0.652 52.586 52.037 -0.172 0.000 0.863 645 A CB -0.228 18.717 19.000 -0.091 0.000 0.904 645 A HN 0.484 nan 8.150 nan 0.000 0.484 646 G N -0.970 107.499 108.800 -0.552 0.000 2.553 646 G HA2 0.069 4.027 3.960 -0.004 0.000 0.242 646 G HA3 0.069 4.027 3.960 -0.004 0.000 0.242 646 G C 1.236 175.889 174.900 -0.412 0.000 1.277 646 G CA 0.761 45.287 45.100 -0.958 0.000 0.910 646 G HN 1.464 nan 8.290 nan 0.000 0.576 647 A N -1.018 121.755 122.820 -0.079 0.000 1.958 647 A HA -0.016 4.302 4.320 -0.004 0.000 0.221 647 A C 2.794 180.609 177.584 0.384 0.000 1.178 647 A CA 3.403 55.649 52.037 0.349 0.000 0.642 647 A CB -0.981 18.212 19.000 0.322 0.000 0.816 647 A HN 1.673 nan 8.150 nan 0.000 0.453 648 S N -0.134 115.725 115.700 0.266 0.000 2.402 648 S HA -0.215 4.253 4.470 -0.004 0.000 0.233 648 S C 1.747 176.415 174.600 0.113 0.000 1.030 648 S CA 1.605 59.929 58.200 0.206 0.000 1.003 648 S CB -0.780 62.523 63.200 0.173 0.000 0.813 648 S HN 0.828 nan 8.310 nan 0.000 0.477 649 I N -1.444 119.211 120.570 0.143 0.000 2.830 649 I HA 0.010 4.177 4.170 -0.004 0.000 0.263 649 I C 1.634 177.852 176.117 0.168 0.000 1.230 649 I CA 1.171 62.553 61.300 0.137 0.000 1.480 649 I CB -0.321 37.779 38.000 0.166 0.000 1.095 649 I HN 0.169 nan 8.210 nan 0.000 0.455 650 L N 0.892 122.261 121.223 0.244 0.000 2.375 650 L HA 0.210 4.547 4.340 -0.004 0.000 0.215 650 L C 1.068 177.916 176.870 -0.037 0.000 1.108 650 L CA 0.072 55.035 54.840 0.205 0.000 0.830 650 L CB -0.024 42.293 42.059 0.430 0.000 0.959 650 L HN 0.202 nan 8.230 nan 0.000 0.457 651 L N 0.747 121.874 121.223 -0.161 0.000 2.499 651 L HA -0.075 4.263 4.340 -0.004 0.000 0.273 651 L C 1.466 178.107 176.870 -0.382 0.000 1.195 651 L CA -0.070 54.542 54.840 -0.378 0.000 0.882 651 L CB 0.644 42.441 42.059 -0.437 0.000 1.133 651 L HN 0.047 nan 8.230 nan 0.000 0.483 652 E N 2.527 122.365 120.200 -0.603 0.000 2.208 652 E HA -0.069 4.279 4.350 -0.004 0.000 0.193 652 E C -0.512 175.719 176.600 -0.614 0.000 0.988 652 E CA 0.889 56.743 56.400 -0.910 0.000 0.828 652 E CB 0.264 28.810 29.700 -1.923 0.000 0.763 652 E HN 0.391 nan 8.360 nan 0.000 0.478 653 F N -0.187 119.452 119.950 -0.518 0.000 2.596 653 F HA 0.371 4.895 4.527 -0.004 0.000 0.311 653 F C -1.459 174.238 175.800 -0.172 0.000 1.116 653 F CA -1.249 56.618 58.000 -0.221 0.000 0.957 653 F CB 1.182 40.169 39.000 -0.021 0.000 1.250 653 F HN -0.301 nan 8.300 nan 0.000 0.444 654 I N 6.756 126.890 120.570 -0.727 0.000 2.291 654 I HA 0.278 4.446 4.170 -0.004 0.000 0.290 654 I C -2.183 173.462 176.117 -0.787 0.000 1.050 654 I CA -2.172 58.804 61.300 -0.540 0.000 1.245 654 I CB 0.387 38.195 38.000 -0.320 0.000 1.405 654 I HN 0.389 nan 8.210 nan 0.000 0.478 655 P HA 0.138 nan 4.420 nan 0.000 0.269 655 P C -0.401 176.859 177.300 -0.068 0.000 1.215 655 P CA -0.220 62.824 63.100 -0.093 0.000 0.780 655 P CB 0.688 32.457 31.700 0.114 0.000 0.898 656 E N 1.509 121.722 120.200 0.022 0.000 2.081 656 E HA 0.232 4.580 4.350 -0.004 0.000 0.281 656 E C -0.303 176.325 176.600 0.046 0.000 0.986 656 E CA -0.433 55.979 56.400 0.020 0.000 0.796 656 E CB 0.382 30.112 29.700 0.050 0.000 1.085 656 E HN 0.338 nan 8.360 nan 0.000 0.398 657 L N 3.152 124.381 121.223 0.011 0.000 2.436 657 L HA 0.209 4.546 4.340 -0.004 0.000 0.265 657 L C 0.007 176.869 176.870 -0.015 0.000 1.168 657 L CA -0.684 54.146 54.840 -0.017 0.000 0.815 657 L CB 0.265 42.295 42.059 -0.047 0.000 1.109 657 L HN 0.370 nan 8.230 nan 0.000 0.462 658 L N 4.432 125.634 121.223 -0.035 0.000 2.259 658 L HA 0.439 4.777 4.340 -0.004 0.000 0.288 658 L C -0.503 176.334 176.870 -0.056 0.000 1.051 658 L CA 0.481 55.318 54.840 -0.005 0.000 0.824 658 L CB 0.171 42.268 42.059 0.063 0.000 1.206 658 L HN 0.369 nan 8.230 nan 0.000 0.429 659 I N 7.196 127.735 120.570 -0.052 0.000 2.698 659 I HA 0.302 4.470 4.170 -0.004 0.000 0.276 659 I C -2.161 173.915 176.117 -0.069 0.000 1.166 659 I CA -1.495 59.757 61.300 -0.080 0.000 1.101 659 I CB 1.066 39.014 38.000 -0.087 0.000 1.305 659 I HN 0.479 nan 8.210 nan 0.000 0.526 660 P HA 0.054 nan 4.420 nan 0.000 0.269 660 P C -0.208 177.046 177.300 -0.077 0.000 1.209 660 P CA -0.172 62.893 63.100 -0.058 0.000 0.776 660 P CB 0.739 32.406 31.700 -0.055 0.000 0.876 661 V N 3.925 123.810 119.914 -0.048 0.000 2.427 661 V HA 0.014 4.132 4.120 -0.004 0.000 0.268 661 V C 0.532 176.596 176.094 -0.049 0.000 1.046 661 V CA -0.417 61.861 62.300 -0.036 0.000 0.970 661 V CB 0.719 32.541 31.823 -0.001 0.000 1.001 661 V HN 0.282 nan 8.190 nan 0.000 0.476 662 V N 5.215 125.063 119.914 -0.111 0.000 2.617 662 V HA 0.130 4.248 4.120 -0.004 0.000 0.304 662 V C 1.373 177.459 176.094 -0.015 0.000 1.040 662 V CA 0.471 62.647 62.300 -0.207 0.000 1.149 662 V CB 0.333 31.743 31.823 -0.689 0.000 0.914 662 V HN 1.010 nan 8.190 nan 0.000 0.487 663 G N 3.549 112.361 108.800 0.020 0.000 2.491 663 G HA2 0.429 4.387 3.960 -0.004 0.000 0.238 663 G HA3 0.429 4.387 3.960 -0.004 0.000 0.238 663 G C 0.351 175.432 174.900 0.301 0.000 1.277 663 G CA 0.104 45.281 45.100 0.129 0.000 0.851 663 G HN 1.261 nan 8.290 nan 0.000 0.573 664 A N 0.882 123.861 122.820 0.265 0.000 2.425 664 A HA 0.551 4.869 4.320 -0.004 0.000 0.242 664 A C -0.555 177.320 177.584 0.486 0.000 1.077 664 A CA -0.084 52.145 52.037 0.321 0.000 0.781 664 A CB 0.194 19.302 19.000 0.180 0.000 1.020 664 A HN 0.456 nan 8.150 nan 0.000 0.494 665 F N 0.323 120.343 119.950 0.117 0.000 2.408 665 F HA 0.452 4.977 4.527 -0.004 0.000 0.344 665 F C 0.129 175.942 175.800 0.023 0.000 1.112 665 F CA -0.838 57.207 58.000 0.075 0.000 1.096 665 F CB 1.409 40.452 39.000 0.072 0.000 1.129 665 F HN 0.296 nan 8.300 nan 0.000 0.486 666 L N 5.795 127.075 121.223 0.096 0.000 2.313 666 L HA 0.388 4.725 4.340 -0.004 0.000 0.273 666 L C -0.610 176.255 176.870 -0.009 0.000 1.028 666 L CA -0.353 54.513 54.840 0.042 0.000 0.871 666 L CB 0.538 42.607 42.059 0.016 0.000 1.242 666 L HN 0.382 nan 8.230 nan 0.000 0.434 667 L N 2.668 123.874 121.223 -0.027 0.000 2.380 667 L HA 0.297 4.635 4.340 -0.004 0.000 0.273 667 L C 0.469 177.330 176.870 -0.016 0.000 1.138 667 L CA -0.041 54.720 54.840 -0.132 0.000 0.832 667 L CB 0.955 42.704 42.059 -0.517 0.000 1.124 667 L HN 0.574 nan 8.230 nan 0.000 0.454 668 E N 1.598 121.808 120.200 0.015 0.000 2.216 668 E HA 0.286 4.634 4.350 -0.004 0.000 0.279 668 E C -0.875 175.703 176.600 -0.038 0.000 0.997 668 E CA -0.475 55.901 56.400 -0.040 0.000 0.817 668 E CB 1.266 30.896 29.700 -0.117 0.000 1.096 668 E HN 0.582 nan 8.360 nan 0.000 0.393 669 S N 2.653 118.276 115.700 -0.129 0.000 2.610 669 S HA 0.312 4.780 4.470 -0.004 0.000 0.273 669 S C -1.062 173.236 174.600 -0.503 0.000 1.274 669 S CA -0.364 57.764 58.200 -0.119 0.000 1.023 669 S CB 0.408 63.545 63.200 -0.105 0.000 0.962 669 S HN 0.422 nan 8.310 nan 0.000 0.523 670 Y N 1.437 121.693 120.300 -0.074 0.000 2.592 670 Y HA 0.323 4.871 4.550 -0.004 0.000 0.354 670 Y C 0.323 176.067 175.900 -0.261 0.000 1.063 670 Y CA -0.972 57.056 58.100 -0.121 0.000 1.205 670 Y CB -0.163 38.251 38.460 -0.077 0.000 1.106 670 Y HN 0.568 nan 8.280 nan 0.000 0.649 671 I N -0.587 119.809 120.570 -0.291 0.000 2.943 671 I HA -0.068 4.100 4.170 -0.004 0.000 0.296 671 I C 0.080 176.049 176.117 -0.246 0.000 1.220 671 I CA 0.792 61.745 61.300 -0.578 0.000 1.409 671 I CB 0.405 38.192 38.000 -0.355 0.000 1.374 671 I HN 0.587 nan 8.210 nan 0.000 0.545 672 D N 2.168 122.500 120.400 -0.112 0.000 2.553 672 D HA -0.220 4.417 4.640 -0.004 0.000 0.178 672 D C 0.191 176.560 176.300 0.117 0.000 0.951 672 D CA 1.162 55.308 54.000 0.243 0.000 1.015 672 D CB -0.967 39.934 40.800 0.169 0.000 1.069 672 D HN 0.812 nan 8.370 nan 0.000 0.463 673 N N 1.006 119.732 118.700 0.044 0.000 2.602 673 N HA 0.067 4.804 4.740 -0.004 0.000 0.238 673 N C 1.050 176.574 175.510 0.024 0.000 1.084 673 N CA 0.107 53.165 53.050 0.014 0.000 0.952 673 N CB 0.593 39.065 38.487 -0.025 0.000 1.244 673 N HN 0.248 nan 8.380 nan 0.000 0.512 674 K N 2.462 122.891 120.400 0.047 0.000 2.360 674 K HA -0.098 4.219 4.320 -0.004 0.000 0.201 674 K C 0.448 177.065 176.600 0.029 0.000 1.046 674 K CA 1.199 57.523 56.287 0.060 0.000 0.945 674 K CB 0.412 32.950 32.500 0.063 0.000 0.750 674 K HN 0.371 nan 8.250 nan 0.000 0.464 675 N N 0.074 118.760 118.700 -0.023 0.000 2.333 675 N HA 0.005 4.743 4.740 -0.004 0.000 0.183 675 N C 1.038 176.484 175.510 -0.107 0.000 1.030 675 N CA 0.745 53.769 53.050 -0.044 0.000 0.867 675 N CB 0.170 38.622 38.487 -0.057 0.000 1.027 675 N HN 0.017 nan 8.380 nan 0.000 0.435 676 K N 0.460 120.694 120.400 -0.276 0.000 2.280 676 K HA 0.005 4.323 4.320 -0.004 0.000 0.202 676 K C 1.446 177.829 176.600 -0.362 0.000 1.047 676 K CA 0.766 56.703 56.287 -0.585 0.000 0.942 676 K CB -0.055 31.674 32.500 -1.285 0.000 0.739 676 K HN 0.263 nan 8.250 nan 0.000 0.457 677 I N 0.406 120.950 120.570 -0.043 0.000 2.400 677 I HA -0.197 3.971 4.170 -0.004 0.000 0.248 677 I C 2.159 178.406 176.117 0.216 0.000 1.109 677 I CA 0.832 62.265 61.300 0.221 0.000 1.425 677 I CB -0.128 37.985 38.000 0.189 0.000 1.094 677 I HN 0.064 nan 8.210 nan 0.000 0.425 678 I N 1.106 121.749 120.570 0.121 0.000 2.226 678 I HA -0.303 3.865 4.170 -0.004 0.000 0.245 678 I C 2.482 178.657 176.117 0.098 0.000 1.100 678 I CA 1.585 62.953 61.300 0.114 0.000 1.374 678 I CB -0.324 37.728 38.000 0.087 0.000 1.057 678 I HN 0.197 nan 8.210 nan 0.000 0.413 679 K N 0.172 120.616 120.400 0.073 0.000 2.026 679 K HA -0.148 4.170 4.320 -0.004 0.000 0.208 679 K C 2.055 178.707 176.600 0.087 0.000 1.048 679 K CA 1.920 58.252 56.287 0.074 0.000 0.929 679 K CB -0.466 32.086 32.500 0.086 0.000 0.713 679 K HN 0.262 nan 8.250 nan 0.000 0.439 680 T N 1.877 116.501 114.554 0.116 0.000 2.737 680 T HA -0.147 4.201 4.350 -0.004 0.000 0.269 680 T C 1.892 176.616 174.700 0.039 0.000 1.040 680 T CA 1.292 63.461 62.100 0.114 0.000 1.142 680 T CB -0.222 68.778 68.868 0.220 0.000 0.861 680 T HN 0.162 nan 8.240 nan 0.000 0.456 681 I N 0.941 121.554 120.570 0.072 0.000 2.233 681 I HA -0.127 4.041 4.170 -0.004 0.000 0.243 681 I C 2.379 178.525 176.117 0.049 0.000 1.093 681 I CA 1.133 62.462 61.300 0.049 0.000 1.380 681 I CB -0.371 37.698 38.000 0.115 0.000 1.067 681 I HN 0.153 nan 8.210 nan 0.000 0.413 682 D N 1.081 121.513 120.400 0.054 0.000 2.117 682 D HA -0.173 4.465 4.640 -0.004 0.000 0.197 682 D C 1.778 178.115 176.300 0.062 0.000 0.987 682 D CA 1.432 55.460 54.000 0.046 0.000 0.829 682 D CB -0.553 40.273 40.800 0.044 0.000 0.961 682 D HN 0.487 nan 8.370 nan 0.000 0.460 683 N N 0.724 119.464 118.700 0.065 0.000 2.223 683 N HA -0.103 4.635 4.740 -0.004 0.000 0.185 683 N C 1.832 177.414 175.510 0.120 0.000 1.016 683 N CA 0.754 53.848 53.050 0.073 0.000 0.863 683 N CB 0.034 38.547 38.487 0.044 0.000 0.983 683 N HN 0.074 nan 8.380 nan 0.000 0.429 684 A N 1.089 123.992 122.820 0.139 0.000 2.015 684 A HA -0.021 4.297 4.320 -0.004 0.000 0.219 684 A C 2.105 179.855 177.584 0.277 0.000 1.163 684 A CA 0.757 52.967 52.037 0.288 0.000 0.646 684 A CB -0.356 18.788 19.000 0.239 0.000 0.806 684 A HN 0.150 nan 8.150 nan 0.000 0.448 685 L N -0.340 120.969 121.223 0.144 0.000 2.023 685 L HA -0.126 4.212 4.340 -0.004 0.000 0.205 685 L C 3.050 179.999 176.870 0.131 0.000 1.073 685 L CA 1.781 56.679 54.840 0.097 0.000 0.745 685 L CB -1.096 40.987 42.059 0.041 0.000 0.900 685 L HN 0.588 nan 8.230 nan 0.000 0.435 686 T N -2.108 112.524 114.554 0.130 0.000 2.746 686 T HA -0.236 4.112 4.350 -0.004 0.000 0.267 686 T C 1.852 176.681 174.700 0.215 0.000 1.039 686 T CA 1.356 63.542 62.100 0.143 0.000 1.142 686 T CB -0.237 68.700 68.868 0.116 0.000 0.866 686 T HN -0.004 nan 8.240 nan 0.000 0.444 687 K N 1.713 122.262 120.400 0.249 0.000 2.057 687 K HA -0.024 4.294 4.320 -0.004 0.000 0.207 687 K C 2.546 179.400 176.600 0.422 0.000 1.049 687 K CA 1.063 57.534 56.287 0.308 0.000 0.931 687 K CB -0.506 32.179 32.500 0.309 0.000 0.714 687 K HN 0.279 nan 8.250 nan 0.000 0.440 688 R N 0.883 121.650 120.500 0.445 0.000 2.105 688 R HA -0.136 4.202 4.340 -0.004 0.000 0.239 688 R C 1.277 177.828 176.300 0.417 0.000 1.135 688 R CA 1.849 58.213 56.100 0.440 0.000 0.967 688 R CB -0.680 29.775 30.300 0.259 0.000 0.861 688 R HN 0.353 nan 8.270 nan 0.000 0.442 689 N N 0.986 119.856 118.700 0.283 0.000 2.244 689 N HA -0.170 4.568 4.740 -0.004 0.000 0.183 689 N C 1.654 177.365 175.510 0.334 0.000 1.016 689 N CA 1.058 54.258 53.050 0.251 0.000 0.866 689 N CB -0.206 38.378 38.487 0.162 0.000 0.980 689 N HN 0.490 nan 8.380 nan 0.000 0.430 690 E N 1.170 121.553 120.200 0.305 0.000 2.153 690 E HA -0.140 4.208 4.350 -0.004 0.000 0.194 690 E C 1.280 177.926 176.600 0.077 0.000 0.988 690 E CA 0.893 57.388 56.400 0.158 0.000 0.811 690 E CB 0.268 29.971 29.700 0.006 0.000 0.746 690 E HN 0.081 nan 8.360 nan 0.000 0.466 691 K N -0.140 120.333 120.400 0.122 0.000 2.097 691 K HA -0.148 4.169 4.320 -0.004 0.000 0.205 691 K C 1.698 178.250 176.600 -0.079 0.000 1.050 691 K CA 0.913 57.176 56.287 -0.040 0.000 0.938 691 K CB -0.482 31.895 32.500 -0.206 0.000 0.718 691 K HN 0.297 nan 8.250 nan 0.000 0.442 692 W N 1.411 122.637 121.300 -0.125 0.000 2.379 692 W HA -0.092 4.565 4.660 -0.005 0.000 0.307 692 W C 2.845 179.172 176.519 -0.319 0.000 1.200 692 W CA 1.662 58.847 57.345 -0.266 0.000 1.297 692 W CB -0.906 28.450 29.460 -0.174 0.000 1.140 692 W HN 0.047 nan 8.180 nan 0.000 0.507 693 S N -0.012 115.826 115.700 0.231 0.000 2.356 693 S HA -0.211 4.257 4.470 -0.004 0.000 0.223 693 S C 1.546 176.311 174.600 0.275 0.000 1.032 693 S CA 2.045 60.489 58.200 0.406 0.000 1.005 693 S CB -0.565 62.952 63.200 0.528 0.000 0.867 693 S HN 0.107 nan 8.310 nan 0.000 0.449 694 D N 0.756 121.211 120.400 0.090 0.000 2.123 694 D HA -0.105 4.532 4.640 -0.004 0.000 0.196 694 D C 1.853 178.112 176.300 -0.069 0.000 0.992 694 D CA 1.267 55.269 54.000 0.004 0.000 0.833 694 D CB -0.408 40.354 40.800 -0.064 0.000 0.954 694 D HN 0.400 nan 8.370 nan 0.000 0.455 695 M N -0.691 118.816 119.600 -0.156 0.000 2.117 695 M HA -0.146 4.332 4.480 -0.004 0.000 0.262 695 M C 1.738 177.959 176.300 -0.131 0.000 1.065 695 M CA 1.478 56.652 55.300 -0.210 0.000 1.114 695 M CB -0.603 31.775 32.600 -0.371 0.000 1.361 695 M HN 0.169 nan 8.290 nan 0.000 0.408 696 Y N -0.932 119.258 120.300 -0.183 0.000 2.181 696 Y HA -0.129 4.420 4.550 -0.002 0.000 0.288 696 Y C 2.354 177.886 175.900 -0.614 0.000 1.146 696 Y CA 0.457 58.367 58.100 -0.318 0.000 1.164 696 Y CB -0.725 37.738 38.460 0.004 0.000 0.982 696 Y HN 0.424 nan 8.280 nan 0.000 0.515 697 G N 0.268 108.748 108.800 -0.532 0.000 2.418 697 G HA2 -0.291 3.667 3.960 -0.004 0.000 0.217 697 G HA3 -0.291 3.667 3.960 -0.004 0.000 0.217 697 G C 1.522 176.314 174.900 -0.180 0.000 1.158 697 G CA 0.953 45.769 45.100 -0.474 0.000 0.771 697 G HN 0.306 nan 8.290 nan 0.000 0.545 698 L N 0.717 121.861 121.223 -0.132 0.000 2.083 698 L HA 0.004 4.342 4.340 -0.004 0.000 0.209 698 L C 2.455 179.215 176.870 -0.183 0.000 1.083 698 L CA 1.309 56.083 54.840 -0.110 0.000 0.752 698 L CB -0.328 41.671 42.059 -0.099 0.000 0.899 698 L HN 0.103 nan 8.230 nan 0.000 0.433 699 I N -1.052 119.404 120.570 -0.190 0.000 2.202 699 I HA -0.199 3.969 4.170 -0.004 0.000 0.242 699 I C 2.564 178.609 176.117 -0.120 0.000 1.091 699 I CA 1.181 62.360 61.300 -0.201 0.000 1.368 699 I CB -1.243 36.596 38.000 -0.269 0.000 1.058 699 I HN 0.103 nan 8.210 nan 0.000 0.410 700 V N 1.579 121.432 119.914 -0.101 0.000 2.332 700 V HA -0.285 3.833 4.120 -0.004 0.000 0.248 700 V C 2.863 179.058 176.094 0.169 0.000 1.055 700 V CA 1.859 64.231 62.300 0.120 0.000 1.038 700 V CB -1.199 30.702 31.823 0.130 0.000 0.651 700 V HN 0.461 nan 8.190 nan 0.000 0.450 701 A N -0.754 122.099 122.820 0.054 0.000 1.883 701 A HA -0.300 4.018 4.320 -0.004 0.000 0.217 701 A C 2.188 179.775 177.584 0.006 0.000 1.186 701 A CA 2.064 54.153 52.037 0.086 0.000 0.624 701 A CB -0.479 18.606 19.000 0.141 0.000 0.822 701 A HN 0.640 nan 8.150 nan 0.000 0.444 702 Q N -2.214 117.427 119.800 -0.265 0.000 2.119 702 Q HA -0.200 4.137 4.340 -0.004 0.000 0.201 702 Q C 1.919 177.912 176.000 -0.010 0.000 0.972 702 Q CA 1.470 57.037 55.803 -0.394 0.000 0.847 702 Q CB -0.270 28.097 28.738 -0.618 0.000 0.903 702 Q HN 0.894 nan 8.270 nan 0.000 0.433 703 W N 1.578 122.817 121.300 -0.102 0.000 2.333 703 W HA -0.177 4.481 4.660 -0.004 0.000 0.316 703 W C 1.489 178.024 176.519 0.026 0.000 1.215 703 W CA 1.319 58.660 57.345 -0.007 0.000 1.278 703 W CB -0.451 29.007 29.460 -0.003 0.000 1.154 703 W HN 0.012 nan 8.180 nan 0.000 0.486 704 L N 0.885 122.003 121.223 -0.174 0.000 2.083 704 L HA -0.202 4.136 4.340 -0.004 0.000 0.209 704 L C 2.613 179.316 176.870 -0.278 0.000 1.083 704 L CA 1.899 56.509 54.840 -0.384 0.000 0.752 704 L CB -1.093 40.864 42.059 -0.170 0.000 0.899 704 L HN 0.174 nan 8.230 nan 0.000 0.433 705 S N -2.850 112.775 115.700 -0.124 0.000 2.535 705 S HA -0.016 4.452 4.470 -0.004 0.000 0.214 705 S C 1.504 176.141 174.600 0.063 0.000 0.980 705 S CA 0.475 58.615 58.200 -0.100 0.000 0.907 705 S CB 0.026 63.258 63.200 0.053 0.000 0.790 705 S HN 0.524 nan 8.310 nan 0.000 0.510 706 T N -2.561 112.020 114.554 0.045 0.000 2.966 706 T HA 0.354 4.702 4.350 -0.004 0.000 0.254 706 T C 1.242 175.946 174.700 0.007 0.000 0.961 706 T CA 0.456 62.605 62.100 0.082 0.000 0.915 706 T CB 0.091 69.042 68.868 0.138 0.000 1.186 706 T HN 0.149 nan 8.240 nan 0.000 0.505 707 V N 1.495 121.371 119.914 -0.063 0.000 2.840 707 V HA 0.266 4.384 4.120 -0.004 0.000 0.234 707 V C 2.449 178.449 176.094 -0.158 0.000 1.159 707 V CA 0.850 63.071 62.300 -0.132 0.000 1.194 707 V CB -0.458 31.406 31.823 0.069 0.000 0.971 707 V HN 0.360 nan 8.190 nan 0.000 0.494 708 N N 1.115 119.630 118.700 -0.308 0.000 2.364 708 N HA -0.162 4.576 4.740 -0.004 0.000 0.183 708 N C 1.806 177.290 175.510 -0.044 0.000 1.022 708 N CA 1.955 54.865 53.050 -0.234 0.000 0.883 708 N CB -0.104 37.950 38.487 -0.722 0.000 0.965 708 N HN 0.687 nan 8.380 nan 0.000 0.438 709 T N -2.280 112.235 114.554 -0.065 0.000 2.777 709 T HA -0.107 4.240 4.350 -0.004 0.000 0.266 709 T C 1.738 176.545 174.700 0.179 0.000 1.040 709 T CA 0.931 63.066 62.100 0.059 0.000 1.141 709 T CB -0.447 68.463 68.868 0.070 0.000 0.868 709 T HN 0.232 nan 8.240 nan 0.000 0.444 710 Q N 0.203 120.065 119.800 0.104 0.000 2.084 710 Q HA 0.009 4.346 4.340 -0.004 0.000 0.202 710 Q C 2.061 178.101 176.000 0.067 0.000 0.978 710 Q CA 1.455 57.357 55.803 0.165 0.000 0.844 710 Q CB -0.412 28.277 28.738 -0.082 0.000 0.898 710 Q HN 0.605 nan 8.270 nan 0.000 0.426 711 F N -0.886 119.133 119.950 0.116 0.000 2.293 711 F HA -0.210 4.316 4.527 -0.001 0.000 0.300 711 F C 2.188 178.035 175.800 0.079 0.000 1.086 711 F CA 0.653 58.699 58.000 0.077 0.000 1.375 711 F CB -0.110 38.918 39.000 0.047 0.000 1.045 711 F HN 0.153 nan 8.300 nan 0.000 0.516 712 Y N 0.708 121.095 120.300 0.145 0.000 2.200 712 Y HA -0.230 4.317 4.550 -0.005 0.000 0.290 712 Y C 2.437 178.353 175.900 0.027 0.000 1.137 712 Y CA 1.966 60.109 58.100 0.072 0.000 1.163 712 Y CB -0.939 37.541 38.460 0.034 0.000 0.988 712 Y HN -0.126 nan 8.280 nan 0.000 0.518 713 T N 1.239 115.748 114.554 -0.074 0.000 2.833 713 T HA -0.133 4.214 4.350 -0.004 0.000 0.269 713 T C 1.923 176.471 174.700 -0.252 0.000 1.054 713 T CA 1.786 63.704 62.100 -0.303 0.000 1.135 713 T CB -0.376 68.160 68.868 -0.554 0.000 0.869 713 T HN 0.381 nan 8.240 nan 0.000 0.466 714 I N 0.433 120.959 120.570 -0.073 0.000 2.315 714 I HA -0.134 4.034 4.170 -0.004 0.000 0.248 714 I C 2.518 178.621 176.117 -0.023 0.000 1.117 714 I CA 1.187 62.486 61.300 -0.002 0.000 1.404 714 I CB -0.252 37.833 38.000 0.143 0.000 1.071 714 I HN 0.178 nan 8.210 nan 0.000 0.419 715 K N 0.518 120.895 120.400 -0.037 0.000 2.057 715 K HA -0.164 4.154 4.320 -0.004 0.000 0.207 715 K C 2.048 178.596 176.600 -0.086 0.000 1.049 715 K CA 1.111 57.374 56.287 -0.039 0.000 0.931 715 K CB -0.081 32.394 32.500 -0.041 0.000 0.714 715 K HN 0.230 nan 8.250 nan 0.000 0.440 716 E N 0.107 120.164 120.200 -0.239 0.000 2.106 716 E HA -0.120 4.228 4.350 -0.004 0.000 0.192 716 E C 2.171 178.738 176.600 -0.055 0.000 0.984 716 E CA 1.148 57.435 56.400 -0.187 0.000 0.806 716 E CB -0.362 29.128 29.700 -0.350 0.000 0.750 716 E HN 0.448 nan 8.360 nan 0.000 0.458 717 G N 1.059 109.806 108.800 -0.089 0.000 2.440 717 G HA2 -0.243 3.715 3.960 -0.004 0.000 0.218 717 G HA3 -0.243 3.715 3.960 -0.004 0.000 0.218 717 G C 1.546 176.435 174.900 -0.017 0.000 1.154 717 G CA 0.829 45.900 45.100 -0.049 0.000 0.767 717 G HN 0.119 nan 8.290 nan 0.000 0.552 718 M N -0.618 118.984 119.600 0.002 0.000 2.175 718 M HA 0.046 4.524 4.480 -0.004 0.000 0.264 718 M C 2.298 178.648 176.300 0.082 0.000 1.063 718 M CA 0.584 55.902 55.300 0.030 0.000 1.119 718 M CB -1.192 31.443 32.600 0.059 0.000 1.377 718 M HN 0.378 nan 8.290 nan 0.000 0.415 719 Y N 1.606 121.891 120.300 -0.026 0.000 2.165 719 Y HA -0.235 4.313 4.550 -0.003 0.000 0.286 719 Y C 2.206 178.058 175.900 -0.080 0.000 1.155 719 Y CA 1.830 59.918 58.100 -0.020 0.000 1.164 719 Y CB -0.224 38.215 38.460 -0.035 0.000 0.978 719 Y HN 0.184 nan 8.280 nan 0.000 0.513 720 K N -0.314 119.979 120.400 -0.178 0.000 2.025 720 K HA -0.120 4.198 4.320 -0.004 0.000 0.207 720 K C 2.398 178.687 176.600 -0.519 0.000 1.049 720 K CA 1.118 57.121 56.287 -0.472 0.000 0.933 720 K CB -0.475 31.814 32.500 -0.352 0.000 0.714 720 K HN 0.354 nan 8.250 nan 0.000 0.438 721 A N 1.726 124.468 122.820 -0.130 0.000 1.908 721 A HA -0.166 4.152 4.320 -0.004 0.000 0.218 721 A C 2.181 179.880 177.584 0.191 0.000 1.181 721 A CA 1.390 53.522 52.037 0.158 0.000 0.627 721 A CB -0.751 18.346 19.000 0.162 0.000 0.818 721 A HN 0.163 nan 8.150 nan 0.000 0.445 722 L N -0.392 120.895 121.223 0.107 0.000 2.017 722 L HA -0.206 4.131 4.340 -0.004 0.000 0.208 722 L C 2.421 179.334 176.870 0.072 0.000 1.073 722 L CA 1.326 56.248 54.840 0.137 0.000 0.745 722 L CB -0.639 41.510 42.059 0.150 0.000 0.894 722 L HN 0.432 nan 8.230 nan 0.000 0.432 723 N N -0.577 118.022 118.700 -0.169 0.000 2.166 723 N HA -0.201 4.537 4.740 -0.004 0.000 0.186 723 N C 1.897 177.369 175.510 -0.064 0.000 1.019 723 N CA 1.423 54.337 53.050 -0.227 0.000 0.856 723 N CB -0.215 37.969 38.487 -0.505 0.000 0.993 723 N HN 0.445 nan 8.380 nan 0.000 0.426 724 Y N 1.369 121.651 120.300 -0.030 0.000 2.181 724 Y HA -0.149 4.399 4.550 -0.003 0.000 0.288 724 Y C 2.601 178.529 175.900 0.046 0.000 1.146 724 Y CA 0.433 58.538 58.100 0.008 0.000 1.164 724 Y CB 0.137 38.627 38.460 0.050 0.000 0.982 724 Y HN 0.045 nan 8.280 nan 0.000 0.515 725 Q N 0.046 119.966 119.800 0.199 0.000 2.084 725 Q HA -0.169 4.169 4.340 -0.004 0.000 0.202 725 Q C 2.544 178.702 176.000 0.262 0.000 0.978 725 Q CA 1.400 57.283 55.803 0.133 0.000 0.844 725 Q CB -0.668 27.979 28.738 -0.152 0.000 0.898 725 Q HN 0.518 nan 8.270 nan 0.000 0.426 726 A N 0.749 123.705 122.820 0.225 0.000 1.930 726 A HA -0.210 4.108 4.320 -0.004 0.000 0.217 726 A C 2.110 179.725 177.584 0.052 0.000 1.175 726 A CA 1.428 53.450 52.037 -0.025 0.000 0.627 726 A CB -0.453 18.539 19.000 -0.014 0.000 0.815 726 A HN 0.378 nan 8.150 nan 0.000 0.443 727 Q N -0.617 119.213 119.800 0.050 0.000 2.084 727 Q HA -0.116 4.222 4.340 -0.004 0.000 0.202 727 Q C 2.433 178.561 176.000 0.214 0.000 0.978 727 Q CA 1.499 57.346 55.803 0.073 0.000 0.844 727 Q CB -0.390 28.388 28.738 0.067 0.000 0.898 727 Q HN 0.689 nan 8.270 nan 0.000 0.426 728 A N 0.677 123.643 122.820 0.243 0.000 1.902 728 A HA -0.185 4.133 4.320 -0.004 0.000 0.217 728 A C 2.013 179.669 177.584 0.120 0.000 1.181 728 A CA 1.253 53.410 52.037 0.200 0.000 0.623 728 A CB -0.649 18.445 19.000 0.156 0.000 0.818 728 A HN 0.368 nan 8.150 nan 0.000 0.443 729 L N 0.099 121.407 121.223 0.142 0.000 2.046 729 L HA -0.132 4.206 4.340 -0.004 0.000 0.208 729 L C 2.260 179.216 176.870 0.144 0.000 1.077 729 L CA 2.830 57.748 54.840 0.129 0.000 0.747 729 L CB -0.784 41.342 42.059 0.111 0.000 0.896 729 L HN 0.526 nan 8.230 nan 0.000 0.432 730 E N -0.071 120.224 120.200 0.159 0.000 2.058 730 E HA -0.304 4.044 4.350 -0.004 0.000 0.194 730 E C 2.119 178.869 176.600 0.251 0.000 0.997 730 E CA 1.713 58.252 56.400 0.233 0.000 0.801 730 E CB -0.279 29.594 29.700 0.288 0.000 0.746 730 E HN 0.582 nan 8.360 nan 0.000 0.450 731 E N 0.162 120.483 120.200 0.202 0.000 2.058 731 E HA -0.152 4.196 4.350 -0.004 0.000 0.194 731 E C 2.021 178.715 176.600 0.157 0.000 0.997 731 E CA 1.800 58.294 56.400 0.157 0.000 0.801 731 E CB -0.351 29.372 29.700 0.039 0.000 0.746 731 E HN 0.476 nan 8.360 nan 0.000 0.450 732 I N 0.229 120.884 120.570 0.141 0.000 2.226 732 I HA -0.263 3.905 4.170 -0.004 0.000 0.245 732 I C 2.272 178.620 176.117 0.386 0.000 1.100 732 I CA 1.000 62.424 61.300 0.207 0.000 1.374 732 I CB -0.292 37.822 38.000 0.190 0.000 1.057 732 I HN 0.190 nan 8.210 nan 0.000 0.413 733 I N 0.766 121.606 120.570 0.449 0.000 2.163 733 I HA -0.319 3.849 4.170 -0.004 0.000 0.243 733 I C 2.522 179.032 176.117 0.656 0.000 1.085 733 I CA 1.587 63.258 61.300 0.618 0.000 1.347 733 I CB -0.430 37.830 38.000 0.432 0.000 1.044 733 I HN 0.183 nan 8.210 nan 0.000 0.408 734 K N -0.096 120.625 120.400 0.536 0.000 2.063 734 K HA -0.254 4.064 4.320 -0.004 0.000 0.208 734 K C 2.226 179.029 176.600 0.338 0.000 1.048 734 K CA 1.829 58.383 56.287 0.445 0.000 0.928 734 K CB -0.431 32.214 32.500 0.242 0.000 0.713 734 K HN 0.238 nan 8.250 nan 0.000 0.442 735 Y N 1.887 122.280 120.300 0.155 0.000 2.145 735 Y HA -0.199 4.348 4.550 -0.004 0.000 0.286 735 Y C 2.189 178.062 175.900 -0.046 0.000 1.145 735 Y CA 1.435 59.553 58.100 0.031 0.000 1.148 735 Y CB 0.086 38.538 38.460 -0.014 0.000 0.981 735 Y HN -0.082 nan 8.280 nan 0.000 0.507 736 R N -0.771 119.743 120.500 0.024 0.000 2.105 736 R HA -0.227 4.111 4.340 -0.004 0.000 0.239 736 R C 2.134 178.056 176.300 -0.629 0.000 1.135 736 R CA 1.733 57.673 56.100 -0.265 0.000 0.967 736 R CB -1.615 28.701 30.300 0.027 0.000 0.861 736 R HN 0.518 nan 8.270 nan 0.000 0.442 737 Y N 2.108 122.192 120.300 -0.361 0.000 2.200 737 Y HA -0.059 4.489 4.550 -0.003 0.000 0.290 737 Y C 1.553 177.316 175.900 -0.228 0.000 1.137 737 Y CA 1.210 59.126 58.100 -0.306 0.000 1.163 737 Y CB -0.266 38.368 38.460 0.292 0.000 0.988 737 Y HN -0.003 nan 8.280 nan 0.000 0.518 738 N N 0.263 118.810 118.700 -0.255 0.000 2.571 738 N HA -0.072 4.666 4.740 -0.004 0.000 0.189 738 N C 1.475 176.708 175.510 -0.461 0.000 1.154 738 N CA 0.546 53.392 53.050 -0.339 0.000 0.907 738 N CB -0.027 38.355 38.487 -0.174 0.000 0.977 738 N HN 0.376 nan 8.380 nan 0.000 0.449 739 I N 0.228 120.391 120.570 -0.678 0.000 3.059 739 I HA -0.070 4.098 4.170 -0.004 0.000 0.270 739 I C 0.369 176.161 176.117 -0.541 0.000 1.238 739 I CA 0.342 61.242 61.300 -0.667 0.000 1.478 739 I CB -0.640 36.873 38.000 -0.811 0.000 1.097 739 I HN 0.009 nan 8.210 nan 0.000 0.455 740 Y N 1.221 121.294 120.300 -0.378 0.000 2.314 740 Y HA 0.121 4.668 4.550 -0.004 0.000 0.334 740 Y C 1.570 177.304 175.900 -0.276 0.000 1.266 740 Y CA -0.729 57.177 58.100 -0.323 0.000 1.391 740 Y CB 0.537 38.771 38.460 -0.377 0.000 1.306 740 Y HN -0.003 nan 8.280 nan 0.000 0.558 741 S N 0.253 115.943 115.700 -0.018 0.000 2.624 741 S HA 0.075 4.543 4.470 -0.004 0.000 0.263 741 S C 0.827 175.380 174.600 -0.079 0.000 1.287 741 S CA -0.786 57.377 58.200 -0.063 0.000 0.990 741 S CB 1.049 64.222 63.200 -0.045 0.000 0.950 741 S HN 0.707 nan 8.310 nan 0.000 0.561 742 E N 0.628 120.785 120.200 -0.071 0.000 2.153 742 E HA -0.124 4.223 4.350 -0.004 0.000 0.194 742 E C 1.766 178.340 176.600 -0.043 0.000 0.988 742 E CA 0.757 57.120 56.400 -0.061 0.000 0.811 742 E CB -0.213 29.462 29.700 -0.041 0.000 0.746 742 E HN 0.592 nan 8.360 nan 0.000 0.466 743 K N 1.415 121.791 120.400 -0.040 0.000 2.025 743 K HA -0.151 4.167 4.320 -0.004 0.000 0.207 743 K C 1.807 178.381 176.600 -0.043 0.000 1.049 743 K CA 1.210 57.478 56.287 -0.032 0.000 0.933 743 K CB -0.017 32.465 32.500 -0.030 0.000 0.714 743 K HN 0.173 nan 8.250 nan 0.000 0.438 744 E N 0.414 120.575 120.200 -0.065 0.000 2.077 744 E HA -0.156 4.192 4.350 -0.004 0.000 0.193 744 E C 2.125 178.661 176.600 -0.106 0.000 0.989 744 E CA 1.140 57.474 56.400 -0.110 0.000 0.800 744 E CB -0.007 29.598 29.700 -0.159 0.000 0.746 744 E HN 0.281 nan 8.360 nan 0.000 0.452 745 K N 0.594 120.938 120.400 -0.094 0.000 2.103 745 K HA -0.113 4.205 4.320 -0.004 0.000 0.207 745 K C 2.346 179.001 176.600 0.092 0.000 1.048 745 K CA 1.269 57.541 56.287 -0.023 0.000 0.930 745 K CB -0.102 32.310 32.500 -0.147 0.000 0.716 745 K HN -0.052 nan 8.250 nan 0.000 0.444 746 S N 1.295 117.019 115.700 0.039 0.000 2.400 746 S HA -0.077 4.390 4.470 -0.004 0.000 0.232 746 S C 1.250 175.878 174.600 0.046 0.000 1.025 746 S CA 1.049 59.279 58.200 0.050 0.000 0.993 746 S CB -0.127 63.087 63.200 0.023 0.000 0.808 746 S HN 0.313 nan 8.310 nan 0.000 0.478 747 N N 0.609 119.322 118.700 0.022 0.000 2.270 747 N HA 0.262 5.000 4.740 -0.004 0.000 0.198 747 N C -0.376 175.151 175.510 0.027 0.000 1.117 747 N CA 0.160 53.218 53.050 0.014 0.000 0.845 747 N CB 0.355 38.834 38.487 -0.012 0.000 0.980 747 N HN 0.383 nan 8.380 nan 0.000 0.486 748 I N 1.465 122.080 120.570 0.074 0.000 2.312 748 I HA 0.077 4.245 4.170 -0.004 0.000 0.290 748 I C 0.198 176.387 176.117 0.119 0.000 1.008 748 I CA -0.691 60.683 61.300 0.125 0.000 1.226 748 I CB 0.896 39.052 38.000 0.260 0.000 1.371 748 I HN -0.148 nan 8.210 nan 0.000 0.468 749 N N 8.607 127.344 118.700 0.062 0.000 2.482 749 N HA 0.307 5.044 4.740 -0.004 0.000 0.242 749 N C -1.205 174.285 175.510 -0.034 0.000 1.100 749 N CA 0.019 53.080 53.050 0.018 0.000 0.946 749 N CB 0.281 38.768 38.487 -0.000 0.000 1.227 749 N HN 0.316 nan 8.380 nan 0.000 0.508 750 I N 1.539 122.066 120.570 -0.071 0.000 2.686 750 I HA 0.297 4.465 4.170 -0.004 0.000 0.295 750 I C -0.953 175.031 176.117 -0.221 0.000 1.114 750 I CA -0.694 60.471 61.300 -0.225 0.000 1.038 750 I CB 2.065 39.822 38.000 -0.405 0.000 1.238 750 I HN 0.427 nan 8.210 nan 0.000 0.420 751 D N 4.585 124.823 120.400 -0.270 0.000 2.421 751 D HA 0.320 4.958 4.640 -0.004 0.000 0.254 751 D C 0.433 176.611 176.300 -0.202 0.000 1.238 751 D CA -0.399 53.512 54.000 -0.149 0.000 0.919 751 D CB 0.767 41.513 40.800 -0.090 0.000 1.152 751 D HN 0.220 nan 8.370 nan 0.000 0.552 752 F N 1.895 121.795 119.950 -0.083 0.000 2.171 752 F HA -0.148 4.377 4.527 -0.004 0.000 0.300 752 F C 2.210 177.954 175.800 -0.094 0.000 1.090 752 F CA 0.786 58.741 58.000 -0.075 0.000 1.293 752 F CB -0.159 38.822 39.000 -0.031 0.000 1.013 752 F HN 0.364 nan 8.300 nan 0.000 0.486 753 N N 0.133 118.891 118.700 0.097 0.000 2.069 753 N HA -0.247 4.491 4.740 -0.004 0.000 0.191 753 N C 1.754 177.209 175.510 -0.092 0.000 1.031 753 N CA 1.725 54.775 53.050 -0.001 0.000 0.852 753 N CB -0.742 37.751 38.487 0.010 0.000 1.018 753 N HN 0.376 nan 8.380 nan 0.000 0.423 754 D N 1.055 121.401 120.400 -0.091 0.000 2.178 754 D HA -0.058 4.579 4.640 -0.004 0.000 0.202 754 D C 2.078 178.274 176.300 -0.173 0.000 0.974 754 D CA 0.345 54.272 54.000 -0.122 0.000 0.841 754 D CB 0.150 40.887 40.800 -0.105 0.000 0.953 754 D HN 0.230 nan 8.370 nan 0.000 0.478 755 I N 1.139 121.593 120.570 -0.193 0.000 2.142 755 I HA -0.290 3.878 4.170 -0.004 0.000 0.240 755 I C 2.183 178.119 176.117 -0.302 0.000 1.078 755 I CA 0.848 62.011 61.300 -0.227 0.000 1.343 755 I CB -0.352 37.516 38.000 -0.221 0.000 1.046 755 I HN 0.002 nan 8.210 nan 0.000 0.405 756 N N 0.311 118.771 118.700 -0.400 0.000 2.149 756 N HA -0.193 4.544 4.740 -0.004 0.000 0.188 756 N C 1.959 177.020 175.510 -0.749 0.000 1.019 756 N CA 1.651 54.132 53.050 -0.949 0.000 0.857 756 N CB -0.502 37.302 38.487 -1.140 0.000 0.997 756 N HN 0.297 nan 8.380 nan 0.000 0.426 757 S N 1.158 116.619 115.700 -0.399 0.000 2.348 757 S HA -0.092 4.376 4.470 -0.004 0.000 0.221 757 S C 1.760 176.258 174.600 -0.171 0.000 1.033 757 S CA 1.123 59.182 58.200 -0.234 0.000 1.010 757 S CB 0.019 63.132 63.200 -0.146 0.000 0.891 757 S HN 0.245 nan 8.310 nan 0.000 0.442 758 K N 0.490 120.792 120.400 -0.162 0.000 2.097 758 K HA 0.029 4.346 4.320 -0.004 0.000 0.206 758 K C 2.172 178.730 176.600 -0.069 0.000 1.049 758 K CA 1.352 57.580 56.287 -0.099 0.000 0.933 758 K CB -0.345 32.093 32.500 -0.102 0.000 0.717 758 K HN 0.400 nan 8.250 nan 0.000 0.442 759 L N 1.263 122.388 121.223 -0.163 0.000 2.027 759 L HA -0.185 4.153 4.340 -0.004 0.000 0.206 759 L C 2.487 179.385 176.870 0.046 0.000 1.074 759 L CA 0.958 55.701 54.840 -0.161 0.000 0.745 759 L CB -0.651 41.176 42.059 -0.387 0.000 0.898 759 L HN 0.336 nan 8.230 nan 0.000 0.433 760 N N 0.453 119.141 118.700 -0.021 0.000 2.166 760 N HA -0.253 4.485 4.740 -0.004 0.000 0.186 760 N C 1.832 177.420 175.510 0.130 0.000 1.019 760 N CA 1.628 54.752 53.050 0.122 0.000 0.856 760 N CB 0.169 38.683 38.487 0.045 0.000 0.993 760 N HN 0.278 nan 8.380 nan 0.000 0.426 761 E N 0.249 120.491 120.200 0.070 0.000 2.051 761 E HA -0.054 4.293 4.350 -0.004 0.000 0.192 761 E C 1.918 178.588 176.600 0.116 0.000 0.991 761 E CA 1.749 58.195 56.400 0.076 0.000 0.799 761 E CB -1.043 28.677 29.700 0.034 0.000 0.748 761 E HN 0.416 nan 8.360 nan 0.000 0.449 762 G N 0.787 109.677 108.800 0.149 0.000 2.442 762 G HA2 -0.246 3.712 3.960 -0.004 0.000 0.219 762 G HA3 -0.246 3.712 3.960 -0.004 0.000 0.219 762 G C 1.730 176.757 174.900 0.211 0.000 1.141 762 G CA 1.091 46.299 45.100 0.180 0.000 0.763 762 G HN 0.342 nan 8.290 nan 0.000 0.554 763 I N 0.845 121.587 120.570 0.286 0.000 2.202 763 I HA -0.165 4.002 4.170 -0.004 0.000 0.242 763 I C 2.530 178.786 176.117 0.232 0.000 1.091 763 I CA 0.874 62.342 61.300 0.281 0.000 1.368 763 I CB -0.274 37.902 38.000 0.293 0.000 1.058 763 I HN 0.075 nan 8.210 nan 0.000 0.410 764 N N 0.838 119.662 118.700 0.206 0.000 2.104 764 N HA -0.213 4.525 4.740 -0.004 0.000 0.190 764 N C 1.838 177.433 175.510 0.141 0.000 1.024 764 N CA 1.345 54.502 53.050 0.179 0.000 0.853 764 N CB -0.367 38.206 38.487 0.145 0.000 1.008 764 N HN 0.493 nan 8.380 nan 0.000 0.424 765 Q N 0.353 120.225 119.800 0.120 0.000 2.084 765 Q HA -0.006 4.332 4.340 -0.004 0.000 0.202 765 Q C 2.105 178.164 176.000 0.099 0.000 0.978 765 Q CA 1.530 57.387 55.803 0.091 0.000 0.844 765 Q CB -0.164 28.615 28.738 0.068 0.000 0.898 765 Q HN 0.403 nan 8.270 nan 0.000 0.426 766 A N 1.045 123.941 122.820 0.128 0.000 1.898 766 A HA -0.158 4.160 4.320 -0.004 0.000 0.216 766 A C 2.019 179.695 177.584 0.154 0.000 1.181 766 A CA 0.980 53.107 52.037 0.150 0.000 0.620 766 A CB -0.437 18.692 19.000 0.214 0.000 0.819 766 A HN 0.240 nan 8.150 nan 0.000 0.442 767 I N 0.771 121.446 120.570 0.176 0.000 2.264 767 I HA -0.212 3.956 4.170 -0.004 0.000 0.248 767 I C 1.746 177.937 176.117 0.122 0.000 1.111 767 I CA 1.565 62.968 61.300 0.172 0.000 1.382 767 I CB -1.375 36.751 38.000 0.210 0.000 1.060 767 I HN 0.338 nan 8.210 nan 0.000 0.418 768 D N 0.853 121.317 120.400 0.106 0.000 2.097 768 D HA -0.164 4.474 4.640 -0.004 0.000 0.195 768 D C 1.840 178.189 176.300 0.081 0.000 0.989 768 D CA 1.053 55.104 54.000 0.086 0.000 0.827 768 D CB -0.331 40.514 40.800 0.074 0.000 0.966 768 D HN 0.330 nan 8.370 nan 0.000 0.456 769 N N 0.859 119.602 118.700 0.073 0.000 2.084 769 N HA -0.085 4.653 4.740 -0.004 0.000 0.190 769 N C 2.180 177.740 175.510 0.083 0.000 1.030 769 N CA 0.475 53.558 53.050 0.055 0.000 0.849 769 N CB -0.323 38.171 38.487 0.013 0.000 1.012 769 N HN 0.279 nan 8.380 nan 0.000 0.423 770 I N 1.070 121.694 120.570 0.090 0.000 2.226 770 I HA -0.231 3.937 4.170 -0.004 0.000 0.245 770 I C 1.593 177.799 176.117 0.149 0.000 1.100 770 I CA 0.908 62.284 61.300 0.127 0.000 1.374 770 I CB -0.216 37.852 38.000 0.113 0.000 1.057 770 I HN 0.067 nan 8.210 nan 0.000 0.413 771 N N 0.917 119.685 118.700 0.112 0.000 2.120 771 N HA -0.154 4.583 4.740 -0.004 0.000 0.188 771 N C 1.585 177.148 175.510 0.088 0.000 1.024 771 N CA 1.150 54.256 53.050 0.093 0.000 0.852 771 N CB -0.242 38.295 38.487 0.084 0.000 1.003 771 N HN 0.275 nan 8.380 nan 0.000 0.424 772 N N -0.107 118.655 118.700 0.103 0.000 2.142 772 N HA -0.131 4.607 4.740 -0.004 0.000 0.186 772 N C 1.542 177.120 175.510 0.113 0.000 1.023 772 N CA 0.571 53.681 53.050 0.101 0.000 0.852 772 N CB -0.428 38.118 38.487 0.097 0.000 0.998 772 N HN 0.211 nan 8.380 nan 0.000 0.424 773 F N 2.460 122.398 119.950 -0.021 0.000 2.075 773 F HA -0.108 4.416 4.527 -0.006 0.000 0.297 773 F C 2.120 177.877 175.800 -0.070 0.000 1.113 773 F CA 1.056 59.023 58.000 -0.055 0.000 1.218 773 F CB -0.369 38.569 39.000 -0.104 0.000 0.984 773 F HN -0.140 nan 8.300 nan 0.000 0.472 774 I N 0.883 121.310 120.570 -0.238 0.000 2.226 774 I HA -0.306 3.862 4.170 -0.004 0.000 0.245 774 I C 2.053 177.942 176.117 -0.379 0.000 1.100 774 I CA 1.273 62.333 61.300 -0.400 0.000 1.374 774 I CB -1.714 36.227 38.000 -0.098 0.000 1.057 774 I HN 0.227 nan 8.210 nan 0.000 0.413 775 N N 1.338 119.960 118.700 -0.129 0.000 2.104 775 N HA -0.127 4.610 4.740 -0.004 0.000 0.190 775 N C 2.008 177.503 175.510 -0.026 0.000 1.024 775 N CA 1.590 54.625 53.050 -0.024 0.000 0.853 775 N CB -0.767 37.764 38.487 0.074 0.000 1.008 775 N HN 0.429 nan 8.380 nan 0.000 0.424 776 G N 0.228 109.002 108.800 -0.043 0.000 2.418 776 G HA2 -0.239 3.719 3.960 -0.004 0.000 0.217 776 G HA3 -0.239 3.719 3.960 -0.004 0.000 0.217 776 G C 1.880 176.761 174.900 -0.031 0.000 1.158 776 G CA 0.928 46.058 45.100 0.050 0.000 0.771 776 G HN 0.362 nan 8.290 nan 0.000 0.545 777 C N 0.021 119.125 119.300 -0.326 0.000 2.429 777 C HA 0.015 4.473 4.460 -0.004 0.000 0.277 777 C C 3.348 178.122 174.990 -0.360 0.000 1.262 777 C CA 1.310 60.087 59.018 -0.402 0.000 1.733 777 C CB -0.726 26.523 27.740 -0.819 0.000 2.010 777 C HN 0.475 nan 8.230 nan 0.000 0.483 778 S N 0.275 115.697 115.700 -0.463 0.000 2.368 778 S HA -0.115 4.352 4.470 -0.004 0.000 0.224 778 S C 1.840 176.672 174.600 0.387 0.000 1.029 778 S CA 1.761 60.019 58.200 0.097 0.000 0.988 778 S CB -0.152 63.191 63.200 0.238 0.000 0.838 778 S HN 0.406 nan 8.310 nan 0.000 0.462 779 V N 1.273 121.280 119.914 0.154 0.000 2.407 779 V HA -0.102 4.016 4.120 -0.004 0.000 0.248 779 V C 2.675 178.505 176.094 -0.440 0.000 1.055 779 V CA 1.959 64.150 62.300 -0.181 0.000 1.049 779 V CB -1.130 30.538 31.823 -0.258 0.000 0.662 779 V HN 0.602 nan 8.190 nan 0.000 0.455 780 S N -0.890 114.694 115.700 -0.194 0.000 2.359 780 S HA -0.293 4.175 4.470 -0.004 0.000 0.224 780 S C 2.014 176.573 174.600 -0.069 0.000 1.035 780 S CA 2.093 60.265 58.200 -0.047 0.000 1.018 780 S CB -0.485 62.804 63.200 0.148 0.000 0.876 780 S HN 0.649 nan 8.310 nan 0.000 0.448 781 Y N 1.476 121.758 120.300 -0.030 0.000 2.128 781 Y HA -0.107 4.440 4.550 -0.005 0.000 0.284 781 Y C 2.145 177.976 175.900 -0.115 0.000 1.154 781 Y CA 1.865 59.975 58.100 0.017 0.000 1.149 781 Y CB -0.604 38.003 38.460 0.245 0.000 0.976 781 Y HN 0.370 nan 8.280 nan 0.000 0.505 782 L N -0.266 120.865 121.223 -0.154 0.000 1.971 782 L HA -0.289 4.049 4.340 -0.004 0.000 0.215 782 L C 2.098 178.695 176.870 -0.455 0.000 1.072 782 L CA 2.165 56.679 54.840 -0.543 0.000 0.758 782 L CB -0.823 40.483 42.059 -1.253 0.000 0.889 782 L HN 0.210 nan 8.230 nan 0.000 0.433 783 M N -0.667 118.696 119.600 -0.395 0.000 2.175 783 M HA -0.160 4.318 4.480 -0.004 0.000 0.264 783 M C 2.207 178.412 176.300 -0.157 0.000 1.063 783 M CA 1.736 56.895 55.300 -0.236 0.000 1.119 783 M CB -1.059 31.432 32.600 -0.183 0.000 1.377 783 M HN 0.323 nan 8.290 nan 0.000 0.415 784 K N -0.770 119.469 120.400 -0.268 0.000 2.308 784 K HA 0.048 4.366 4.320 -0.004 0.000 0.197 784 K C 1.743 178.137 176.600 -0.344 0.000 1.049 784 K CA 0.300 56.367 56.287 -0.366 0.000 0.991 784 K CB 0.519 32.658 32.500 -0.603 0.000 0.836 784 K HN 0.066 nan 8.250 nan 0.000 0.500 785 K N -0.153 119.954 120.400 -0.488 0.000 2.367 785 K HA 0.253 4.571 4.320 -0.004 0.000 0.195 785 K C 1.523 177.849 176.600 -0.457 0.000 1.060 785 K CA 0.552 56.477 56.287 -0.603 0.000 1.022 785 K CB 0.636 32.371 32.500 -1.274 0.000 0.894 785 K HN 0.135 nan 8.250 nan 0.000 0.540 786 M N -0.469 118.907 119.600 -0.374 0.000 3.049 786 M HA 0.142 4.620 4.480 -0.004 0.000 0.234 786 M C 1.645 177.803 176.300 -0.235 0.000 1.632 786 M CA 0.185 55.332 55.300 -0.255 0.000 1.259 786 M CB 0.046 32.522 32.600 -0.207 0.000 1.199 786 M HN -0.175 nan 8.290 nan 0.000 0.580 787 I N 1.346 121.736 120.570 -0.299 0.000 2.194 787 I HA -0.186 3.982 4.170 -0.004 0.000 0.246 787 I C -0.587 175.461 176.117 -0.114 0.000 1.093 787 I CA 2.051 63.180 61.300 -0.285 0.000 1.355 787 I CB -2.318 35.449 38.000 -0.388 0.000 1.046 787 I HN 0.124 nan 8.210 nan 0.000 0.413 788 P HA -0.118 nan 4.420 nan 0.000 0.217 788 P C 2.210 179.492 177.300 -0.031 0.000 1.150 788 P CA 1.184 64.283 63.100 -0.001 0.000 0.832 788 P CB -0.009 31.721 31.700 0.050 0.000 0.787 789 L N -1.353 119.827 121.223 -0.070 0.000 2.141 789 L HA -0.138 4.200 4.340 -0.004 0.000 0.209 789 L C 2.399 179.214 176.870 -0.092 0.000 1.094 789 L CA 1.480 56.276 54.840 -0.075 0.000 0.763 789 L CB -1.127 40.880 42.059 -0.088 0.000 0.908 789 L HN -0.020 nan 8.230 nan 0.000 0.437 790 A N -0.143 122.612 122.820 -0.107 0.000 1.897 790 A HA -0.102 4.216 4.320 -0.004 0.000 0.215 790 A C 2.337 179.809 177.584 -0.187 0.000 1.181 790 A CA 1.293 53.243 52.037 -0.144 0.000 0.620 790 A CB -0.706 18.227 19.000 -0.112 0.000 0.821 790 A HN 0.151 nan 8.150 nan 0.000 0.443 791 V N 0.448 120.303 119.914 -0.099 0.000 2.332 791 V HA -0.330 3.788 4.120 -0.004 0.000 0.248 791 V C 2.533 178.568 176.094 -0.098 0.000 1.055 791 V CA 2.463 64.704 62.300 -0.098 0.000 1.038 791 V CB -0.820 31.054 31.823 0.086 0.000 0.651 791 V HN 0.809 nan 8.190 nan 0.000 0.450 792 E N 0.223 120.391 120.200 -0.053 0.000 2.033 792 E HA -0.296 4.052 4.350 -0.004 0.000 0.199 792 E C 2.305 178.873 176.600 -0.054 0.000 1.011 792 E CA 1.648 58.030 56.400 -0.030 0.000 0.815 792 E CB -0.070 29.615 29.700 -0.025 0.000 0.755 792 E HN 0.436 nan 8.360 nan 0.000 0.451 793 K N 0.345 120.685 120.400 -0.099 0.000 2.057 793 K HA -0.134 4.184 4.320 -0.004 0.000 0.207 793 K C 2.369 178.891 176.600 -0.131 0.000 1.049 793 K CA 1.022 57.247 56.287 -0.104 0.000 0.931 793 K CB -0.480 31.939 32.500 -0.135 0.000 0.714 793 K HN 0.323 nan 8.250 nan 0.000 0.440 794 L N 0.731 121.765 121.223 -0.314 0.000 2.131 794 L HA -0.148 4.190 4.340 -0.004 0.000 0.210 794 L C 2.412 179.249 176.870 -0.056 0.000 1.092 794 L CA 0.815 55.350 54.840 -0.509 0.000 0.759 794 L CB -0.419 40.708 42.059 -1.554 0.000 0.903 794 L HN 0.089 nan 8.230 nan 0.000 0.435 795 L N -0.627 120.613 121.223 0.028 0.000 2.131 795 L HA -0.170 4.168 4.340 -0.004 0.000 0.206 795 L C 2.326 179.261 176.870 0.108 0.000 1.087 795 L CA 0.913 55.862 54.840 0.183 0.000 0.767 795 L CB -0.515 41.636 42.059 0.154 0.000 0.917 795 L HN 0.264 nan 8.230 nan 0.000 0.441 796 D N 0.450 120.888 120.400 0.063 0.000 2.104 796 D HA -0.296 4.342 4.640 -0.004 0.000 0.194 796 D C 2.058 178.395 176.300 0.062 0.000 0.994 796 D CA 1.441 55.470 54.000 0.048 0.000 0.830 796 D CB -0.142 40.678 40.800 0.034 0.000 0.959 796 D HN 0.219 nan 8.370 nan 0.000 0.452 797 F N 1.250 121.166 119.950 -0.057 0.000 2.126 797 F HA -0.162 4.362 4.527 -0.004 0.000 0.299 797 F C 1.812 177.584 175.800 -0.047 0.000 1.096 797 F CA 1.809 59.764 58.000 -0.074 0.000 1.255 797 F CB -0.556 38.371 39.000 -0.123 0.000 0.997 797 F HN -0.126 nan 8.300 nan 0.000 0.479 798 D N 0.137 120.465 120.400 -0.119 0.000 2.092 798 D HA -0.256 4.382 4.640 -0.004 0.000 0.193 798 D C 2.156 178.323 176.300 -0.222 0.000 0.994 798 D CA 1.680 55.570 54.000 -0.183 0.000 0.828 798 D CB -0.834 40.036 40.800 0.117 0.000 0.963 798 D HN 0.509 nan 8.370 nan 0.000 0.450 799 N N -0.524 118.112 118.700 -0.108 0.000 2.043 799 N HA -0.169 4.569 4.740 -0.004 0.000 0.193 799 N C 1.516 176.946 175.510 -0.133 0.000 1.037 799 N CA 1.844 54.841 53.050 -0.088 0.000 0.851 799 N CB 0.053 38.518 38.487 -0.037 0.000 1.027 799 N HN 0.029 nan 8.380 nan 0.000 0.422 800 T N 1.309 115.773 114.554 -0.151 0.000 2.737 800 T HA -0.171 4.177 4.350 -0.004 0.000 0.269 800 T C 1.771 176.336 174.700 -0.224 0.000 1.040 800 T CA 1.001 63.014 62.100 -0.145 0.000 1.142 800 T CB -0.272 68.536 68.868 -0.101 0.000 0.861 800 T HN 0.204 nan 8.240 nan 0.000 0.456 801 L N 0.905 121.869 121.223 -0.431 0.000 2.217 801 L HA 0.170 4.508 4.340 -0.004 0.000 0.211 801 L C 2.241 178.957 176.870 -0.258 0.000 1.107 801 L CA 1.649 56.206 54.840 -0.472 0.000 0.783 801 L CB -0.458 41.069 42.059 -0.886 0.000 0.919 801 L HN 0.068 nan 8.230 nan 0.000 0.442 802 K N 0.428 120.704 120.400 -0.206 0.000 2.001 802 K HA -0.238 4.080 4.320 -0.004 0.000 0.208 802 K C 2.099 178.660 176.600 -0.065 0.000 1.048 802 K CA 1.902 58.120 56.287 -0.115 0.000 0.932 802 K CB -0.136 32.311 32.500 -0.089 0.000 0.715 802 K HN 0.493 nan 8.250 nan 0.000 0.437 803 K N 0.056 120.421 120.400 -0.058 0.000 2.362 803 K HA -0.136 4.182 4.320 -0.004 0.000 0.200 803 K C 1.790 178.389 176.600 -0.002 0.000 1.046 803 K CA 1.435 57.708 56.287 -0.022 0.000 0.952 803 K CB -0.136 32.352 32.500 -0.020 0.000 0.753 803 K HN 0.075 nan 8.250 nan 0.000 0.466 804 N N 1.566 120.252 118.700 -0.023 0.000 2.173 804 N HA -0.056 4.682 4.740 -0.004 0.000 0.184 804 N C 1.756 177.301 175.510 0.058 0.000 1.025 804 N CA 1.056 54.113 53.050 0.012 0.000 0.852 804 N CB -0.043 38.427 38.487 -0.028 0.000 0.998 804 N HN 0.272 nan 8.380 nan 0.000 0.427 805 L N 0.732 121.968 121.223 0.023 0.000 2.093 805 L HA -0.075 4.263 4.340 -0.004 0.000 0.208 805 L C 2.434 179.383 176.870 0.131 0.000 1.085 805 L CA 0.566 55.450 54.840 0.074 0.000 0.755 805 L CB -0.413 41.654 42.059 0.013 0.000 0.904 805 L HN 0.144 nan 8.230 nan 0.000 0.435 806 L N -0.176 121.089 121.223 0.069 0.000 1.976 806 L HA -0.243 4.094 4.340 -0.004 0.000 0.209 806 L C 2.529 179.449 176.870 0.083 0.000 1.071 806 L CA 1.514 56.392 54.840 0.062 0.000 0.746 806 L CB -0.886 41.190 42.059 0.028 0.000 0.890 806 L HN 0.409 nan 8.230 nan 0.000 0.432 807 N N -0.188 118.562 118.700 0.082 0.000 2.272 807 N HA -0.283 4.455 4.740 -0.004 0.000 0.185 807 N C 1.962 177.543 175.510 0.119 0.000 1.014 807 N CA 1.519 54.619 53.050 0.082 0.000 0.870 807 N CB -0.058 38.473 38.487 0.074 0.000 0.975 807 N HN 0.377 nan 8.380 nan 0.000 0.433 808 Y N 1.224 121.545 120.300 0.034 0.000 2.263 808 Y HA 0.095 4.643 4.550 -0.004 0.000 0.292 808 Y C 2.175 178.110 175.900 0.058 0.000 1.130 808 Y CA 1.101 59.230 58.100 0.048 0.000 1.179 808 Y CB -0.195 38.298 38.460 0.055 0.000 0.998 808 Y HN 0.011 nan 8.280 nan 0.000 0.532 809 I N 0.060 120.695 120.570 0.109 0.000 3.001 809 I HA -0.184 3.984 4.170 -0.004 0.000 0.268 809 I C 1.960 178.077 176.117 -0.002 0.000 1.267 809 I CA 1.221 62.543 61.300 0.036 0.000 1.472 809 I CB -0.304 37.747 38.000 0.085 0.000 1.089 809 I HN 0.348 nan 8.210 nan 0.000 0.468 810 D N 1.273 121.674 120.400 0.003 0.000 2.202 810 D HA -0.120 4.518 4.640 -0.004 0.000 0.214 810 D C 1.803 178.098 176.300 -0.008 0.000 0.967 810 D CA 0.916 54.919 54.000 0.005 0.000 0.871 810 D CB 0.203 41.014 40.800 0.018 0.000 1.020 810 D HN 0.322 nan 8.370 nan 0.000 0.474 811 E N 0.176 120.360 120.200 -0.026 0.000 2.265 811 E HA -0.083 4.265 4.350 -0.004 0.000 0.196 811 E C 1.159 177.762 176.600 0.005 0.000 0.996 811 E CA 0.507 56.896 56.400 -0.018 0.000 0.832 811 E CB 0.086 29.764 29.700 -0.035 0.000 0.756 811 E HN 0.264 nan 8.360 nan 0.000 0.491 812 N N 0.762 119.426 118.700 -0.060 0.000 2.187 812 N HA -0.004 4.734 4.740 -0.004 0.000 0.212 812 N C 1.165 176.752 175.510 0.128 0.000 1.152 812 N CA 0.011 53.104 53.050 0.071 0.000 0.872 812 N CB 0.513 38.870 38.487 -0.216 0.000 1.025 812 N HN 0.220 nan 8.380 nan 0.000 0.514 813 K N 1.012 121.434 120.400 0.038 0.000 2.107 813 K HA -0.172 4.145 4.320 -0.004 0.000 0.211 813 K C 1.739 178.322 176.600 -0.029 0.000 1.049 813 K CA 1.153 57.445 56.287 0.008 0.000 0.927 813 K CB -0.471 32.025 32.500 -0.008 0.000 0.714 813 K HN 0.079 nan 8.250 nan 0.000 0.452 814 L N 0.200 121.348 121.223 -0.125 0.000 1.943 814 L HA -0.190 4.147 4.340 -0.004 0.000 0.215 814 L C 2.445 179.148 176.870 -0.278 0.000 1.074 814 L CA 1.580 56.230 54.840 -0.316 0.000 0.759 814 L CB -0.890 40.769 42.059 -0.666 0.000 0.888 814 L HN 0.168 nan 8.230 nan 0.000 0.433 815 Y N -0.183 120.106 120.300 -0.018 0.000 2.736 815 Y HA -0.099 4.449 4.550 -0.004 0.000 0.298 815 Y C 1.830 177.731 175.900 0.001 0.000 1.156 815 Y CA 0.399 58.494 58.100 -0.008 0.000 1.384 815 Y CB -0.763 37.692 38.460 -0.008 0.000 0.976 815 Y HN 0.191 nan 8.280 nan 0.000 0.556 816 L N -1.637 119.649 121.223 0.105 0.000 2.858 816 L HA 0.165 4.503 4.340 -0.004 0.000 0.251 816 L C 0.899 177.799 176.870 0.050 0.000 1.149 816 L CA -0.309 54.583 54.840 0.086 0.000 0.955 816 L CB -0.009 42.100 42.059 0.084 0.000 1.289 816 L HN 0.045 nan 8.230 nan 0.000 0.542 817 I N 1.027 121.604 120.570 0.011 0.000 4.904 817 I HA -0.372 3.795 4.170 -0.004 0.000 0.039 817 I C 1.509 177.634 176.117 0.013 0.000 0.635 817 I CA 1.923 63.220 61.300 -0.005 0.000 0.230 817 I CB -1.681 36.315 38.000 -0.008 0.000 0.331 817 I HN 0.257 nan 8.210 nan 0.000 0.152 818 G N -0.171 108.639 108.800 0.018 0.000 3.458 818 G HA2 0.473 4.431 3.960 -0.004 0.000 0.256 818 G HA3 0.473 4.431 3.960 -0.004 0.000 0.256 818 G C 0.388 175.318 174.900 0.050 0.000 0.938 818 G CA 0.538 45.653 45.100 0.024 0.000 1.890 818 G HN 0.998 nan 8.290 nan 0.000 0.639 819 S N -2.100 113.648 115.700 0.080 0.000 2.423 819 S HA 0.174 4.642 4.470 -0.004 0.000 0.243 819 S C 1.660 176.344 174.600 0.141 0.000 0.939 819 S CA 0.768 59.058 58.200 0.150 0.000 1.552 819 S CB -0.280 63.026 63.200 0.177 0.000 1.245 819 S HN 0.732 nan 8.310 nan 0.000 0.635 820 A N 1.037 123.909 122.820 0.087 0.000 2.259 820 A HA 0.182 4.500 4.320 -0.004 0.000 0.212 820 A C 1.819 179.440 177.584 0.062 0.000 1.178 820 A CA 1.714 53.790 52.037 0.066 0.000 0.734 820 A CB -0.493 18.532 19.000 0.042 0.000 0.774 820 A HN 0.543 nan 8.150 nan 0.000 0.481 821 E N -2.333 117.919 120.200 0.085 0.000 2.332 821 E HA 0.051 4.399 4.350 -0.004 0.000 0.202 821 E C 1.482 178.151 176.600 0.116 0.000 0.877 821 E CA 0.286 56.734 56.400 0.079 0.000 0.979 821 E CB -0.402 29.341 29.700 0.072 0.000 0.969 821 E HN 0.502 nan 8.360 nan 0.000 0.495 822 Y N 1.818 122.131 120.300 0.020 0.000 2.224 822 Y HA -0.051 4.497 4.550 -0.004 0.000 0.289 822 Y C 1.320 177.236 175.900 0.026 0.000 1.146 822 Y CA 2.110 60.223 58.100 0.021 0.000 1.182 822 Y CB 0.060 38.532 38.460 0.020 0.000 0.983 822 Y HN 0.065 nan 8.280 nan 0.000 0.524 823 E N -0.706 119.382 120.200 -0.186 0.000 2.447 823 E HA -0.045 4.303 4.350 -0.004 0.000 0.195 823 E C 1.799 178.334 176.600 -0.108 0.000 1.028 823 E CA 0.161 56.399 56.400 -0.269 0.000 0.876 823 E CB 0.164 29.781 29.700 -0.138 0.000 0.885 823 E HN 0.179 nan 8.360 nan 0.000 0.500 824 K N 1.177 121.554 120.400 -0.037 0.000 2.025 824 K HA -0.121 4.197 4.320 -0.004 0.000 0.207 824 K C 2.159 178.744 176.600 -0.025 0.000 1.049 824 K CA 1.869 58.151 56.287 -0.007 0.000 0.933 824 K CB -0.149 32.361 32.500 0.016 0.000 0.714 824 K HN 0.095 nan 8.250 nan 0.000 0.438 825 S N -0.083 115.599 115.700 -0.031 0.000 2.414 825 S HA -0.069 4.398 4.470 -0.004 0.000 0.227 825 S C 1.968 176.530 174.600 -0.064 0.000 1.022 825 S CA 0.818 59.000 58.200 -0.029 0.000 0.958 825 S CB -0.248 62.953 63.200 0.002 0.000 0.797 825 S HN 0.342 nan 8.310 nan 0.000 0.493 826 K N 1.116 121.437 120.400 -0.133 0.000 2.160 826 K HA -0.095 4.223 4.320 -0.004 0.000 0.206 826 K C 1.698 178.237 176.600 -0.102 0.000 1.047 826 K CA 1.592 57.776 56.287 -0.172 0.000 0.930 826 K CB -0.308 31.995 32.500 -0.329 0.000 0.720 826 K HN 0.362 nan 8.250 nan 0.000 0.450 827 V N 1.219 121.087 119.914 -0.077 0.000 2.407 827 V HA -0.163 3.955 4.120 -0.004 0.000 0.245 827 V C 1.534 177.598 176.094 -0.050 0.000 1.041 827 V CA 1.857 64.125 62.300 -0.055 0.000 1.040 827 V CB -0.613 31.189 31.823 -0.036 0.000 0.671 827 V HN 0.385 nan 8.190 nan 0.000 0.455 828 N N 1.227 119.902 118.700 -0.041 0.000 2.120 828 N HA -0.183 4.555 4.740 -0.004 0.000 0.188 828 N C 1.751 177.241 175.510 -0.033 0.000 1.024 828 N CA 1.519 54.549 53.050 -0.033 0.000 0.852 828 N CB -0.314 38.160 38.487 -0.021 0.000 1.003 828 N HN 0.658 nan 8.380 nan 0.000 0.424 829 K N -1.071 119.309 120.400 -0.034 0.000 2.288 829 K HA -0.095 4.223 4.320 -0.004 0.000 0.201 829 K C 2.226 178.801 176.600 -0.041 0.000 1.048 829 K CA 1.302 57.571 56.287 -0.029 0.000 0.956 829 K CB -0.589 31.898 32.500 -0.021 0.000 0.746 829 K HN 0.412 nan 8.250 nan 0.000 0.461 830 Y N 1.966 122.235 120.300 -0.052 0.000 2.231 830 Y HA 0.234 4.782 4.550 -0.004 0.000 0.294 830 Y C 2.038 177.888 175.900 -0.083 0.000 1.120 830 Y CA 0.562 58.625 58.100 -0.062 0.000 1.141 830 Y CB -0.488 37.938 38.460 -0.056 0.000 1.022 830 Y HN 0.004 nan 8.280 nan 0.000 0.523 831 L N 0.401 121.579 121.223 -0.076 0.000 2.645 831 L HA 0.028 4.366 4.340 -0.004 0.000 0.235 831 L C 1.892 178.723 176.870 -0.065 0.000 1.150 831 L CA 0.746 55.537 54.840 -0.082 0.000 0.911 831 L CB -0.086 41.929 42.059 -0.074 0.000 1.077 831 L HN 0.314 nan 8.230 nan 0.000 0.438 832 K N 0.533 120.897 120.400 -0.060 0.000 2.168 832 K HA 0.024 4.341 4.320 -0.004 0.000 0.201 832 K C 0.889 177.459 176.600 -0.049 0.000 1.049 832 K CA 0.609 56.873 56.287 -0.038 0.000 0.974 832 K CB 0.170 32.656 32.500 -0.024 0.000 0.792 832 K HN 0.187 nan 8.250 nan 0.000 0.463 833 T N 1.239 115.747 114.554 -0.076 0.000 2.728 833 T HA 0.403 4.751 4.350 -0.004 0.000 0.296 833 T C 0.734 175.312 174.700 -0.204 0.000 0.940 833 T CA -0.839 61.208 62.100 -0.087 0.000 1.013 833 T CB -0.124 68.707 68.868 -0.062 0.000 0.912 833 T HN 0.231 nan 8.240 nan 0.000 0.484 834 I N 0.974 121.413 120.570 -0.217 0.000 2.834 834 I HA 0.477 4.645 4.170 -0.004 0.000 0.305 834 I C 0.347 176.252 176.117 -0.353 0.000 1.008 834 I CA -1.365 59.631 61.300 -0.508 0.000 1.273 834 I CB 1.056 38.893 38.000 -0.272 0.000 1.432 834 I HN 0.608 nan 8.210 nan 0.000 0.557 835 M N 4.716 124.009 119.600 -0.512 0.000 2.143 835 M HA 0.417 4.895 4.480 -0.004 0.000 0.348 835 M C -2.431 174.106 176.300 0.396 0.000 1.375 835 M CA -1.570 53.738 55.300 0.014 0.000 1.124 835 M CB 0.582 33.254 32.600 0.121 0.000 1.669 835 M HN 0.404 nan 8.290 nan 0.000 0.469 836 P HA 0.062 nan 4.420 nan 0.000 0.271 836 P C -1.157 176.375 177.300 0.385 0.000 1.216 836 P CA -0.193 63.101 63.100 0.324 0.000 0.771 836 P CB 0.234 32.053 31.700 0.197 0.000 0.864 837 F N 3.485 123.500 119.950 0.108 0.000 2.504 837 F HA 0.270 4.796 4.527 -0.000 0.000 0.369 837 F C 0.058 175.908 175.800 0.084 0.000 1.082 837 F CA -0.250 57.640 58.000 -0.184 0.000 1.216 837 F CB 0.149 38.797 39.000 -0.586 0.000 1.108 837 F HN 0.184 nan 8.300 nan 0.000 0.554 838 D N 6.024 126.003 120.400 -0.701 0.000 2.476 838 D HA 0.138 4.776 4.640 -0.004 0.000 0.251 838 D C 0.435 176.175 176.300 -0.932 0.000 1.291 838 D CA -0.498 53.136 54.000 -0.611 0.000 0.939 838 D CB 1.047 41.731 40.800 -0.193 0.000 1.221 838 D HN 0.537 nan 8.370 nan 0.000 0.567 839 L N 3.626 123.977 121.223 -1.453 0.000 2.127 839 L HA -0.107 4.231 4.340 -0.004 0.000 0.211 839 L C 1.987 178.625 176.870 -0.387 0.000 1.089 839 L CA 2.407 56.688 54.840 -0.932 0.000 0.757 839 L CB -0.679 40.602 42.059 -1.297 0.000 0.899 839 L HN 0.551 nan 8.230 nan 0.000 0.434 840 S N -1.316 114.185 115.700 -0.331 0.000 2.469 840 S HA -0.125 4.342 4.470 -0.004 0.000 0.238 840 S C 1.849 176.319 174.600 -0.216 0.000 0.998 840 S CA 0.987 59.084 58.200 -0.173 0.000 0.957 840 S CB -0.695 62.448 63.200 -0.095 0.000 0.764 840 S HN 0.403 nan 8.310 nan 0.000 0.514 841 I N 0.245 120.588 120.570 -0.378 0.000 2.617 841 I HA 0.055 4.223 4.170 -0.004 0.000 0.256 841 I C 1.297 177.054 176.117 -0.601 0.000 1.167 841 I CA 0.799 61.776 61.300 -0.539 0.000 1.469 841 I CB -1.361 36.159 38.000 -0.800 0.000 1.098 841 I HN 0.315 nan 8.210 nan 0.000 0.436 842 Y N 0.166 120.456 120.300 -0.016 0.000 2.458 842 Y HA 0.257 4.805 4.550 -0.004 0.000 0.256 842 Y C 1.072 176.989 175.900 0.027 0.000 1.159 842 Y CA -0.220 57.904 58.100 0.040 0.000 1.261 842 Y CB 0.223 38.748 38.460 0.107 0.000 1.119 842 Y HN 0.026 nan 8.280 nan 0.000 0.524 843 T N 0.035 114.628 114.554 0.066 0.000 2.893 843 T HA 0.275 4.623 4.350 -0.004 0.000 0.337 843 T C -1.166 173.540 174.700 0.010 0.000 1.587 843 T CA -0.792 61.343 62.100 0.059 0.000 1.066 843 T CB 0.443 69.380 68.868 0.116 0.000 1.414 843 T HN 0.261 nan 8.240 nan 0.000 0.488 844 N N 1.272 119.979 118.700 0.011 0.000 2.351 844 N HA 0.255 4.993 4.740 -0.004 0.000 0.254 844 N C -0.736 174.788 175.510 0.024 0.000 1.241 844 N CA -0.631 52.420 53.050 0.001 0.000 0.883 844 N CB 0.489 38.964 38.487 -0.021 0.000 1.202 844 N HN 0.612 nan 8.380 nan 0.000 0.512 845 D N -0.070 120.359 120.400 0.048 0.000 2.339 845 D HA 0.127 4.765 4.640 -0.004 0.000 0.256 845 D C 0.788 177.127 176.300 0.066 0.000 1.214 845 D CA 0.105 54.142 54.000 0.061 0.000 0.877 845 D CB 0.881 41.731 40.800 0.084 0.000 1.111 845 D HN 0.098 nan 8.370 nan 0.000 0.478 846 T N 4.433 119.021 114.554 0.056 0.000 2.665 846 T HA -0.182 4.165 4.350 -0.004 0.000 0.268 846 T C 1.847 176.597 174.700 0.082 0.000 1.035 846 T CA 0.740 62.877 62.100 0.061 0.000 1.151 846 T CB -0.061 68.838 68.868 0.051 0.000 0.862 846 T HN 0.491 nan 8.240 nan 0.000 0.438 847 I N 0.974 121.595 120.570 0.086 0.000 2.179 847 I HA -0.080 4.088 4.170 -0.004 0.000 0.242 847 I C 2.378 178.575 176.117 0.134 0.000 1.088 847 I CA 1.282 62.643 61.300 0.102 0.000 1.357 847 I CB -1.417 36.639 38.000 0.094 0.000 1.051 847 I HN 0.285 nan 8.210 nan 0.000 0.409 848 L N -0.107 121.202 121.223 0.143 0.000 2.093 848 L HA -0.167 4.171 4.340 -0.004 0.000 0.208 848 L C 2.572 179.570 176.870 0.212 0.000 1.085 848 L CA 0.782 55.742 54.840 0.201 0.000 0.755 848 L CB -0.364 41.815 42.059 0.199 0.000 0.904 848 L HN 0.136 nan 8.230 nan 0.000 0.435 849 I N 0.164 120.828 120.570 0.156 0.000 2.202 849 I HA -0.240 3.928 4.170 -0.004 0.000 0.242 849 I C 2.454 178.694 176.117 0.206 0.000 1.091 849 I CA 1.535 62.933 61.300 0.164 0.000 1.368 849 I CB -1.094 36.967 38.000 0.102 0.000 1.058 849 I HN 0.343 nan 8.210 nan 0.000 0.410 850 E N 0.338 120.632 120.200 0.156 0.000 2.118 850 E HA -0.231 4.117 4.350 -0.004 0.000 0.195 850 E C 2.308 179.010 176.600 0.170 0.000 0.992 850 E CA 1.242 57.725 56.400 0.140 0.000 0.804 850 E CB -0.182 29.582 29.700 0.108 0.000 0.741 850 E HN 0.439 nan 8.360 nan 0.000 0.458 851 M N -0.075 119.647 119.600 0.204 0.000 2.080 851 M HA -0.189 4.289 4.480 -0.004 0.000 0.260 851 M C 2.213 178.680 176.300 0.278 0.000 1.068 851 M CA 1.468 56.906 55.300 0.230 0.000 1.109 851 M CB -0.302 32.459 32.600 0.269 0.000 1.342 851 M HN 0.105 nan 8.290 nan 0.000 0.405 852 F N 1.504 121.527 119.950 0.121 0.000 2.102 852 F HA -0.215 4.313 4.527 0.002 0.000 0.298 852 F C 2.132 178.001 175.800 0.114 0.000 1.105 852 F CA 1.597 59.647 58.000 0.084 0.000 1.239 852 F CB -0.459 38.561 39.000 0.035 0.000 0.991 852 F HN 0.169 nan 8.300 nan 0.000 0.474 853 N N 0.592 119.377 118.700 0.141 0.000 2.188 853 N HA -0.180 4.558 4.740 -0.004 0.000 0.184 853 N C 1.894 177.411 175.510 0.011 0.000 1.018 853 N CA 1.171 54.231 53.050 0.017 0.000 0.858 853 N CB -0.496 38.036 38.487 0.075 0.000 0.989 853 N HN 0.380 nan 8.380 nan 0.000 0.426 854 K N 0.180 120.623 120.400 0.072 0.000 2.002 854 K HA -0.186 4.131 4.320 -0.004 0.000 0.209 854 K C 2.115 178.749 176.600 0.057 0.000 1.048 854 K CA 1.013 57.339 56.287 0.065 0.000 0.930 854 K CB -0.355 32.202 32.500 0.095 0.000 0.714 854 K HN 0.094 nan 8.250 nan 0.000 0.438 855 Y N 2.026 122.300 120.300 -0.043 0.000 2.102 855 Y HA -0.298 4.249 4.550 -0.005 0.000 0.280 855 Y C 1.762 177.592 175.900 -0.117 0.000 1.178 855 Y CA 2.162 60.222 58.100 -0.067 0.000 1.146 855 Y CB -0.233 38.186 38.460 -0.068 0.000 0.968 855 Y HN 0.252 nan 8.280 nan 0.000 0.504 856 N N -0.307 118.386 118.700 -0.013 0.000 2.520 856 N HA -0.114 4.624 4.740 -0.004 0.000 0.185 856 N C 1.748 177.202 175.510 -0.093 0.000 1.068 856 N CA 1.243 54.229 53.050 -0.107 0.000 0.911 856 N CB -0.374 37.963 38.487 -0.250 0.000 0.961 856 N HN 0.538 nan 8.380 nan 0.000 0.446 857 S N -0.669 114.986 115.700 -0.074 0.000 2.548 857 S HA 0.120 4.588 4.470 -0.004 0.000 0.215 857 S C 0.469 175.032 174.600 -0.061 0.000 0.976 857 S CA -0.199 57.971 58.200 -0.051 0.000 0.908 857 S CB 0.072 63.256 63.200 -0.028 0.000 0.781 857 S HN 0.124 nan 8.310 nan 0.000 0.519 858 E N 1.014 121.150 120.200 -0.107 0.000 2.044 858 E HA 0.294 4.642 4.350 -0.004 0.000 0.282 858 E C 0.473 177.014 176.600 -0.098 0.000 1.031 858 E CA -0.349 55.984 56.400 -0.111 0.000 0.824 858 E CB 0.985 30.586 29.700 -0.166 0.000 1.076 858 E HN 0.200 nan 8.360 nan 0.000 0.395 859 I N 4.243 124.793 120.570 -0.032 0.000 2.315 859 I HA -0.307 3.861 4.170 -0.004 0.000 0.251 859 I C 1.416 177.594 176.117 0.100 0.000 1.125 859 I CA 1.570 62.892 61.300 0.036 0.000 1.392 859 I CB 0.056 38.076 38.000 0.033 0.000 1.065 859 I HN 0.634 nan 8.210 nan 0.000 0.424 860 L N 0.184 121.428 121.223 0.034 0.000 2.362 860 L HA -0.151 4.187 4.340 -0.004 0.000 0.219 860 L C 1.663 178.468 176.870 -0.107 0.000 1.134 860 L CA 0.657 55.498 54.840 0.002 0.000 0.807 860 L CB -0.882 41.162 42.059 -0.025 0.000 0.927 860 L HN 0.305 nan 8.230 nan 0.000 0.447 861 N N -0.021 118.574 118.700 -0.175 0.000 2.467 861 N HA -0.065 4.673 4.740 -0.004 0.000 0.184 861 N C 1.042 176.513 175.510 -0.065 0.000 1.106 861 N CA 0.486 53.386 53.050 -0.250 0.000 0.892 861 N CB -0.075 38.000 38.487 -0.687 0.000 0.969 861 N HN 0.387 nan 8.380 nan 0.000 0.454 862 N N 0.609 119.300 118.700 -0.015 0.000 2.398 862 N HA 0.112 4.850 4.740 -0.004 0.000 0.188 862 N C 0.081 175.556 175.510 -0.059 0.000 1.122 862 N CA 0.040 53.124 53.050 0.056 0.000 0.866 862 N CB 0.931 39.523 38.487 0.176 0.000 0.970 862 N HN 0.256 nan 8.380 nan 0.000 0.462 863 I N 2.213 122.641 120.570 -0.236 0.000 2.396 863 I HA 0.060 4.228 4.170 -0.004 0.000 0.289 863 I C 1.552 177.594 176.117 -0.125 0.000 1.056 863 I CA 0.011 61.030 61.300 -0.470 0.000 1.365 863 I CB 0.712 38.375 38.000 -0.561 0.000 1.407 863 I HN 0.011 nan 8.210 nan 0.000 0.509 864 I N 4.497 124.967 120.570 -0.166 0.000 4.082 864 I HA 0.421 4.588 4.170 -0.004 0.000 0.337 864 I C -0.438 175.667 176.117 -0.021 0.000 1.352 864 I CA -0.000 61.231 61.300 -0.115 0.000 1.097 864 I CB 0.752 38.492 38.000 -0.434 0.000 1.048 864 I HN 0.400 nan 8.210 nan 0.000 0.393 865 L N 1.567 122.784 121.223 -0.010 0.000 2.611 865 L HA 0.558 4.895 4.340 -0.004 0.000 0.260 865 L C -1.951 174.961 176.870 0.070 0.000 0.924 865 L CA -0.177 54.721 54.840 0.096 0.000 0.901 865 L CB 1.993 44.181 42.059 0.215 0.000 1.369 865 L HN 0.107 nan 8.230 nan 0.000 0.415 866 N N 4.929 123.695 118.700 0.111 0.000 2.685 866 N HA 0.354 5.092 4.740 -0.004 0.000 0.252 866 N C -1.698 173.916 175.510 0.173 0.000 1.261 866 N CA -0.284 52.832 53.050 0.110 0.000 0.768 866 N CB 1.042 39.535 38.487 0.011 0.000 1.304 866 N HN 0.623 nan 8.380 nan 0.000 0.536 867 L N 3.144 124.537 121.223 0.282 0.000 2.433 867 L HA 0.350 4.688 4.340 -0.004 0.000 0.275 867 L C 0.542 177.579 176.870 0.279 0.000 1.128 867 L CA -0.074 54.914 54.840 0.246 0.000 0.875 867 L CB 0.187 42.399 42.059 0.254 0.000 1.171 867 L HN 0.112 nan 8.230 nan 0.000 0.463 868 R N 2.607 123.227 120.500 0.200 0.000 2.807 868 R HA 0.324 4.662 4.340 -0.004 0.000 0.276 868 R C -1.006 175.419 176.300 0.207 0.000 0.979 868 R CA -1.048 55.198 56.100 0.244 0.000 0.928 868 R CB 1.828 32.241 30.300 0.188 0.000 1.191 868 R HN 0.335 nan 8.270 nan 0.000 0.471 869 Y N 1.752 122.132 120.300 0.134 0.000 2.359 869 Y HA 0.272 4.820 4.550 -0.004 0.000 0.330 869 Y C -0.579 175.358 175.900 0.063 0.000 1.143 869 Y CA 0.451 58.606 58.100 0.091 0.000 1.318 869 Y CB 0.743 39.264 38.460 0.103 0.000 1.234 869 Y HN 0.158 nan 8.280 nan 0.000 0.522 870 K N 5.227 125.251 120.400 -0.627 0.000 2.587 870 K HA 0.114 4.432 4.320 -0.004 0.000 0.256 870 K C -1.514 174.748 176.600 -0.562 0.000 0.974 870 K CA -0.651 55.369 56.287 -0.446 0.000 0.855 870 K CB 1.376 33.771 32.500 -0.175 0.000 1.292 870 K HN 0.886 nan 8.250 nan 0.000 0.444 871 D N 2.479 122.613 120.400 -0.443 0.000 2.803 871 D HA -0.220 4.418 4.640 -0.004 0.000 0.233 871 D C 0.058 176.175 176.300 -0.305 0.000 1.182 871 D CA 0.626 54.468 54.000 -0.262 0.000 0.726 871 D CB -0.510 40.205 40.800 -0.142 0.000 0.987 871 D HN 0.751 nan 8.370 nan 0.000 0.412 872 N N 0.699 119.154 118.700 -0.409 0.000 2.714 872 N HA -0.260 4.478 4.740 -0.004 0.000 0.252 872 N C -0.667 174.750 175.510 -0.155 0.000 1.014 872 N CA 1.574 54.558 53.050 -0.110 0.000 0.735 872 N CB -0.857 37.660 38.487 0.048 0.000 0.924 872 N HN 0.797 nan 8.380 nan 0.000 0.540 873 N N -0.706 117.787 118.700 -0.345 0.000 2.961 873 N HA 0.381 5.119 4.740 -0.004 0.000 0.245 873 N C -1.450 173.951 175.510 -0.182 0.000 1.404 873 N CA -0.621 52.316 53.050 -0.189 0.000 0.880 873 N CB 1.045 39.430 38.487 -0.171 0.000 1.461 873 N HN -0.002 nan 8.380 nan 0.000 0.510 874 L N 3.289 124.445 121.223 -0.113 0.000 2.313 874 L HA 0.633 4.971 4.340 -0.004 0.000 0.283 874 L C -0.268 176.552 176.870 -0.083 0.000 1.013 874 L CA -0.723 54.073 54.840 -0.074 0.000 0.816 874 L CB 1.240 43.221 42.059 -0.130 0.000 1.236 874 L HN 0.497 nan 8.230 nan 0.000 0.419 875 I N -1.421 119.124 120.570 -0.042 0.000 3.042 875 I HA 0.561 4.729 4.170 -0.004 0.000 0.310 875 I C -1.100 175.022 176.117 0.010 0.000 1.117 875 I CA -0.933 60.347 61.300 -0.034 0.000 1.003 875 I CB 2.380 40.350 38.000 -0.051 0.000 1.228 875 I HN 0.369 nan 8.210 nan 0.000 0.443 876 D N 3.329 123.738 120.400 0.015 0.000 2.295 876 D HA 0.356 4.994 4.640 -0.004 0.000 0.248 876 D C 0.000 176.307 176.300 0.011 0.000 1.154 876 D CA -0.184 53.842 54.000 0.043 0.000 0.857 876 D CB 1.195 42.032 40.800 0.063 0.000 1.117 876 D HN 0.645 nan 8.370 nan 0.000 0.468 877 L N 3.071 124.300 121.223 0.011 0.000 2.769 877 L HA 0.081 4.419 4.340 -0.004 0.000 0.240 877 L C 1.891 178.724 176.870 -0.060 0.000 1.163 877 L CA -0.075 54.743 54.840 -0.036 0.000 0.962 877 L CB -0.069 41.972 42.059 -0.029 0.000 1.258 877 L HN 0.417 nan 8.230 nan 0.000 0.513 878 S N -0.605 115.080 115.700 -0.025 0.000 2.447 878 S HA -0.025 4.443 4.470 -0.004 0.000 0.233 878 S C 1.683 176.199 174.600 -0.140 0.000 1.006 878 S CA 0.862 59.043 58.200 -0.032 0.000 0.957 878 S CB 0.048 63.305 63.200 0.095 0.000 0.773 878 S HN 0.547 nan 8.310 nan 0.000 0.507 879 G N -0.228 108.479 108.800 -0.154 0.000 2.176 879 G HA2 -0.264 3.693 3.960 -0.004 0.000 0.232 879 G HA3 -0.264 3.693 3.960 -0.004 0.000 0.232 879 G C 0.265 174.953 174.900 -0.353 0.000 0.986 879 G CA 0.268 45.202 45.100 -0.277 0.000 0.643 879 G HN 0.597 nan 8.290 nan 0.000 0.522 880 Y N 0.614 120.874 120.300 -0.066 0.000 2.485 880 Y HA 0.392 4.939 4.550 -0.006 0.000 0.260 880 Y C 2.078 177.950 175.900 -0.046 0.000 1.173 880 Y CA 0.508 58.572 58.100 -0.060 0.000 1.252 880 Y CB 0.753 39.182 38.460 -0.051 0.000 1.123 880 Y HN 0.842 nan 8.280 nan 0.000 0.524 881 G N 1.068 109.901 108.800 0.055 0.000 2.249 881 G HA2 -0.275 3.682 3.960 -0.004 0.000 0.273 881 G HA3 -0.275 3.682 3.960 -0.004 0.000 0.273 881 G C 0.387 175.315 174.900 0.046 0.000 1.036 881 G CA 0.053 45.170 45.100 0.028 0.000 0.824 881 G HN 0.620 nan 8.290 nan 0.000 0.504 882 A N -0.272 122.592 122.820 0.072 0.000 2.531 882 A HA 0.486 4.804 4.320 -0.004 0.000 0.236 882 A C 0.819 178.429 177.584 0.044 0.000 1.062 882 A CA 0.401 52.481 52.037 0.072 0.000 0.760 882 A CB 0.412 19.474 19.000 0.104 0.000 0.995 882 A HN 0.308 nan 8.150 nan 0.000 0.501 883 K N 1.672 122.094 120.400 0.038 0.000 2.258 883 K HA 0.434 4.751 4.320 -0.004 0.000 0.284 883 K C -0.915 175.692 176.600 0.010 0.000 1.051 883 K CA -0.262 56.033 56.287 0.013 0.000 0.923 883 K CB 1.344 33.850 32.500 0.011 0.000 1.046 883 K HN 0.336 nan 8.250 nan 0.000 0.474 884 V N 3.274 123.173 119.914 -0.024 0.000 2.407 884 V HA 0.192 4.310 4.120 -0.004 0.000 0.291 884 V C -0.069 175.959 176.094 -0.110 0.000 1.018 884 V CA -0.798 61.470 62.300 -0.053 0.000 0.842 884 V CB 1.652 33.434 31.823 -0.070 0.000 0.996 884 V HN 0.546 nan 8.190 nan 0.000 0.426 885 E N 3.569 123.691 120.200 -0.129 0.000 2.092 885 E HA 0.399 4.747 4.350 -0.004 0.000 0.271 885 E C -1.081 175.297 176.600 -0.370 0.000 0.919 885 E CA -0.340 55.891 56.400 -0.282 0.000 0.760 885 E CB 2.197 31.717 29.700 -0.299 0.000 1.106 885 E HN 0.434 nan 8.360 nan 0.000 0.408 886 V N 5.606 125.291 119.914 -0.382 0.000 2.318 886 V HA 0.204 4.322 4.120 -0.004 0.000 0.271 886 V C -0.240 175.649 176.094 -0.342 0.000 1.030 886 V CA -0.654 61.470 62.300 -0.293 0.000 0.844 886 V CB -0.290 31.406 31.823 -0.212 0.000 1.015 886 V HN 0.495 nan 8.190 nan 0.000 0.460 887 Y N 1.829 122.094 120.300 -0.059 0.000 2.299 887 Y HA 0.064 4.611 4.550 -0.004 0.000 0.335 887 Y C 1.640 177.521 175.900 -0.032 0.000 1.287 887 Y CA 0.040 58.117 58.100 -0.038 0.000 1.424 887 Y CB 0.344 38.787 38.460 -0.028 0.000 1.326 887 Y HN 0.648 nan 8.280 nan 0.000 0.567 888 D N 0.792 121.270 120.400 0.130 0.000 2.203 888 D HA -0.170 4.468 4.640 -0.004 0.000 0.199 888 D C 2.043 178.372 176.300 0.048 0.000 0.997 888 D CA 1.813 55.852 54.000 0.065 0.000 0.863 888 D CB -0.204 40.633 40.800 0.062 0.000 0.928 888 D HN 0.814 nan 8.370 nan 0.000 0.458 889 G N -0.820 108.016 108.800 0.060 0.000 2.920 889 G HA2 0.083 4.041 3.960 -0.004 0.000 0.208 889 G HA3 0.083 4.041 3.960 -0.004 0.000 0.208 889 G C 0.263 175.170 174.900 0.011 0.000 1.159 889 G CA -0.111 45.004 45.100 0.026 0.000 0.784 889 G HN 0.142 nan 8.290 nan 0.000 0.535 890 V N 0.630 120.557 119.914 0.023 0.000 2.465 890 V HA 0.269 4.387 4.120 -0.004 0.000 0.279 890 V C -0.020 176.083 176.094 0.015 0.000 1.045 890 V CA -0.857 61.451 62.300 0.013 0.000 0.938 890 V CB 1.786 33.608 31.823 -0.002 0.000 0.986 890 V HN 0.288 nan 8.190 nan 0.000 0.467 891 E N 4.597 124.792 120.200 -0.009 0.000 2.174 891 E HA 0.582 4.929 4.350 -0.004 0.000 0.282 891 E C -1.437 175.258 176.600 0.160 0.000 0.992 891 E CA -0.493 55.925 56.400 0.031 0.000 0.803 891 E CB 1.092 30.754 29.700 -0.062 0.000 1.090 891 E HN 0.566 nan 8.360 nan 0.000 0.396 892 L N 4.052 125.396 121.223 0.202 0.000 2.362 892 L HA 0.513 4.851 4.340 -0.004 0.000 0.271 892 L C -0.507 176.476 176.870 0.188 0.000 1.002 892 L CA -1.114 53.891 54.840 0.274 0.000 0.818 892 L CB 1.752 44.006 42.059 0.325 0.000 1.298 892 L HN 0.586 nan 8.230 nan 0.000 0.420 893 N N -1.460 117.261 118.700 0.035 0.000 2.455 893 N HA 0.276 5.014 4.740 -0.004 0.000 0.278 893 N C -0.370 174.693 175.510 -0.746 0.000 1.291 893 N CA -0.955 51.975 53.050 -0.201 0.000 0.780 893 N CB 0.845 39.290 38.487 -0.070 0.000 1.520 893 N HN 0.540 nan 8.380 nan 0.000 0.486 894 D N -0.993 118.962 120.400 -0.741 0.000 2.378 894 D HA -0.072 4.565 4.640 -0.004 0.000 0.227 894 D C 0.164 176.215 176.300 -0.417 0.000 1.012 894 D CA 0.762 54.264 54.000 -0.831 0.000 0.905 894 D CB -0.076 40.548 40.800 -0.294 0.000 0.895 894 D HN 0.600 nan 8.370 nan 0.000 0.532 895 K N 0.030 120.224 120.400 -0.344 0.000 2.410 895 K HA 0.114 4.432 4.320 -0.004 0.000 0.200 895 K C 0.058 176.483 176.600 -0.291 0.000 1.023 895 K CA -0.283 55.846 56.287 -0.264 0.000 1.149 895 K CB -0.008 32.328 32.500 -0.273 0.000 0.859 895 K HN -0.009 nan 8.250 nan 0.000 0.514 896 N N 2.057 120.618 118.700 -0.231 0.000 2.776 896 N HA -0.174 4.563 4.740 -0.004 0.000 0.250 896 N C -1.045 174.445 175.510 -0.033 0.000 1.112 896 N CA 0.957 53.961 53.050 -0.077 0.000 0.733 896 N CB -0.685 37.726 38.487 -0.127 0.000 1.097 896 N HN 0.464 nan 8.380 nan 0.000 0.558 897 Q N 0.231 120.042 119.800 0.018 0.000 2.256 897 Q HA 0.572 4.910 4.340 -0.004 0.000 0.257 897 Q C -0.240 176.084 176.000 0.540 0.000 0.936 897 Q CA -0.528 55.424 55.803 0.248 0.000 0.903 897 Q CB 0.968 29.834 28.738 0.214 0.000 1.263 897 Q HN 0.316 nan 8.270 nan 0.000 0.440 898 F N -0.875 119.387 119.950 0.521 0.000 2.565 898 F HA 0.634 5.158 4.527 -0.004 0.000 0.313 898 F C -1.028 174.846 175.800 0.123 0.000 1.091 898 F CA -1.253 56.929 58.000 0.303 0.000 0.915 898 F CB 1.431 40.523 39.000 0.154 0.000 1.208 898 F HN 0.237 nan 8.300 nan 0.000 0.453 899 K N 4.801 125.111 120.400 -0.151 0.000 2.274 899 K HA 0.602 4.920 4.320 -0.004 0.000 0.262 899 K C -1.692 174.792 176.600 -0.192 0.000 0.961 899 K CA -0.624 55.254 56.287 -0.682 0.000 0.833 899 K CB 1.236 32.717 32.500 -1.699 0.000 1.102 899 K HN 0.935 nan 8.250 nan 0.000 0.436 900 L N 4.641 125.826 121.223 -0.062 0.000 2.272 900 L HA 0.316 4.653 4.340 -0.004 0.000 0.289 900 L C 0.604 177.485 176.870 0.018 0.000 1.032 900 L CA -0.617 54.259 54.840 0.061 0.000 0.810 900 L CB 1.466 43.634 42.059 0.182 0.000 1.205 900 L HN 0.827 nan 8.230 nan 0.000 0.422 901 T N -1.905 112.647 114.554 -0.002 0.000 2.889 901 T HA 0.208 4.556 4.350 -0.004 0.000 0.278 901 T C 1.131 175.837 174.700 0.010 0.000 0.995 901 T CA -0.053 62.054 62.100 0.012 0.000 0.966 901 T CB 1.494 70.343 68.868 -0.032 0.000 1.237 901 T HN 0.528 nan 8.240 nan 0.000 0.591 902 S N -0.437 115.263 115.700 0.000 0.000 2.561 902 S HA 0.107 4.574 4.470 -0.004 0.000 0.225 902 S C 0.832 175.419 174.600 -0.021 0.000 0.977 902 S CA -0.402 57.783 58.200 -0.025 0.000 0.926 902 S CB -0.651 62.529 63.200 -0.034 0.000 0.769 902 S HN 0.606 nan 8.310 nan 0.000 0.533 903 S N 1.739 117.431 115.700 -0.014 0.000 2.549 903 S HA 0.537 5.004 4.470 -0.004 0.000 0.283 903 S C 1.491 176.079 174.600 -0.019 0.000 1.320 903 S CA -0.005 58.185 58.200 -0.016 0.000 1.058 903 S CB 1.067 64.259 63.200 -0.013 0.000 0.882 903 S HN 0.597 nan 8.310 nan 0.000 0.498 904 A N 3.205 126.008 122.820 -0.029 0.000 1.978 904 A HA -0.171 4.146 4.320 -0.004 0.000 0.220 904 A C 1.770 179.318 177.584 -0.060 0.000 1.170 904 A CA 1.746 53.755 52.037 -0.046 0.000 0.636 904 A CB -0.592 18.377 19.000 -0.052 0.000 0.810 904 A HN 0.874 nan 8.150 nan 0.000 0.448 905 N N -0.633 118.045 118.700 -0.036 0.000 2.383 905 N HA 0.037 4.775 4.740 -0.004 0.000 0.192 905 N C 0.235 175.766 175.510 0.035 0.000 1.141 905 N CA 0.785 53.823 53.050 -0.021 0.000 0.851 905 N CB -0.469 38.028 38.487 0.017 0.000 0.976 905 N HN 0.121 nan 8.380 nan 0.000 0.465 906 S N 0.237 115.949 115.700 0.020 0.000 3.363 906 S HA 0.245 4.713 4.470 -0.004 0.000 0.267 906 S C -0.528 174.110 174.600 0.063 0.000 1.288 906 S CA -0.667 57.557 58.200 0.041 0.000 0.948 906 S CB -0.502 62.710 63.200 0.019 0.000 1.397 906 S HN 0.455 nan 8.310 nan 0.000 0.493 907 K N 3.882 124.345 120.400 0.105 0.000 2.551 907 K HA 0.558 4.876 4.320 -0.004 0.000 0.269 907 K C -1.757 174.981 176.600 0.230 0.000 0.949 907 K CA -0.767 55.599 56.287 0.131 0.000 0.849 907 K CB 1.270 33.777 32.500 0.013 0.000 1.411 907 K HN 0.439 nan 8.250 nan 0.000 0.432 908 I N 2.829 123.510 120.570 0.185 0.000 2.466 908 I HA 0.413 4.581 4.170 -0.004 0.000 0.289 908 I C -0.581 175.669 176.117 0.221 0.000 1.026 908 I CA -0.874 60.481 61.300 0.092 0.000 1.078 908 I CB 2.034 39.858 38.000 -0.292 0.000 1.249 908 I HN 0.497 nan 8.210 nan 0.000 0.429 909 R N 5.939 126.564 120.500 0.208 0.000 2.343 909 R HA 0.714 5.051 4.340 -0.004 0.000 0.320 909 R C -1.793 174.584 176.300 0.128 0.000 0.956 909 R CA -0.445 55.774 56.100 0.198 0.000 0.836 909 R CB 1.711 32.163 30.300 0.253 0.000 1.151 909 R HN 0.467 nan 8.270 nan 0.000 0.450 910 V N 3.778 123.788 119.914 0.160 0.000 2.448 910 V HA 0.312 4.430 4.120 -0.004 0.000 0.295 910 V C -0.308 175.859 176.094 0.123 0.000 1.025 910 V CA -0.625 61.763 62.300 0.147 0.000 0.859 910 V CB 2.081 34.053 31.823 0.247 0.000 0.988 910 V HN 0.786 nan 8.190 nan 0.000 0.431 911 T N 5.483 120.093 114.554 0.093 0.000 2.801 911 T HA 0.355 4.703 4.350 -0.004 0.000 0.306 911 T C -0.039 174.714 174.700 0.089 0.000 1.020 911 T CA -0.366 61.781 62.100 0.078 0.000 0.948 911 T CB 0.560 69.461 68.868 0.054 0.000 0.962 911 T HN 0.673 nan 8.240 nan 0.000 0.465 912 Q N 2.293 122.158 119.800 0.108 0.000 2.417 912 Q HA 0.172 4.510 4.340 -0.004 0.000 0.241 912 Q C 0.533 176.578 176.000 0.076 0.000 1.008 912 Q CA -0.667 55.203 55.803 0.111 0.000 0.901 912 Q CB 0.593 29.424 28.738 0.155 0.000 1.259 912 Q HN 0.437 nan 8.270 nan 0.000 0.489 913 N N 1.666 120.398 118.700 0.053 0.000 2.431 913 N HA -0.071 4.667 4.740 -0.004 0.000 0.265 913 N C 0.209 175.737 175.510 0.031 0.000 1.184 913 N CA 0.285 53.357 53.050 0.036 0.000 0.943 913 N CB 0.805 39.308 38.487 0.027 0.000 1.080 913 N HN 0.476 nan 8.380 nan 0.000 0.477 914 Q N 1.968 121.797 119.800 0.048 0.000 2.482 914 Q HA 0.054 4.392 4.340 -0.004 0.000 0.209 914 Q C -0.203 175.836 176.000 0.064 0.000 0.961 914 Q CA 0.578 56.418 55.803 0.063 0.000 0.945 914 Q CB 0.119 28.890 28.738 0.056 0.000 1.012 914 Q HN 0.557 nan 8.270 nan 0.000 0.515 915 N N 0.585 119.311 118.700 0.045 0.000 2.376 915 N HA 0.217 4.955 4.740 -0.004 0.000 0.249 915 N C -0.201 175.336 175.510 0.046 0.000 1.140 915 N CA 0.114 53.199 53.050 0.057 0.000 0.870 915 N CB 0.888 39.402 38.487 0.046 0.000 1.124 915 N HN 0.226 nan 8.380 nan 0.000 0.505 916 I N 0.711 121.282 120.570 0.002 0.000 2.474 916 I HA 0.363 4.531 4.170 -0.004 0.000 0.294 916 I C 0.486 176.640 176.117 0.060 0.000 1.005 916 I CA -0.897 60.366 61.300 -0.060 0.000 1.113 916 I CB 2.163 39.956 38.000 -0.345 0.000 1.289 916 I HN -0.215 nan 8.210 nan 0.000 0.436 917 I N 5.829 126.462 120.570 0.105 0.000 2.577 917 I HA -0.060 4.108 4.170 -0.004 0.000 0.299 917 I C 0.601 176.833 176.117 0.192 0.000 1.157 917 I CA 0.931 62.330 61.300 0.166 0.000 1.418 917 I CB -0.181 37.930 38.000 0.185 0.000 1.467 917 I HN 0.718 nan 8.210 nan 0.000 0.624 918 F N 5.857 125.807 119.950 -0.001 0.000 2.514 918 F HA 0.072 4.596 4.527 -0.005 0.000 0.281 918 F C 1.394 177.161 175.800 -0.056 0.000 1.060 918 F CA -0.465 57.509 58.000 -0.044 0.000 1.397 918 F CB 0.539 39.496 39.000 -0.071 0.000 1.129 918 F HN 0.490 nan 8.300 nan 0.000 0.620 919 N N 1.956 120.698 118.700 0.069 0.000 2.895 919 N HA -0.050 4.688 4.740 -0.004 0.000 0.277 919 N C 0.388 175.925 175.510 0.045 0.000 1.185 919 N CA 0.561 53.578 53.050 -0.054 0.000 1.106 919 N CB 0.449 38.902 38.487 -0.057 0.000 1.422 919 N HN 0.173 nan 8.380 nan 0.000 0.521 920 S N -0.361 115.376 115.700 0.062 0.000 2.723 920 S HA -0.039 4.429 4.470 -0.004 0.000 0.231 920 S C 0.996 175.781 174.600 0.308 0.000 0.967 920 S CA -0.084 58.229 58.200 0.190 0.000 0.958 920 S CB -0.667 62.670 63.200 0.229 0.000 0.778 920 S HN 0.395 nan 8.310 nan 0.000 0.537 921 V N -0.856 119.161 119.914 0.172 0.000 3.129 921 V HA -0.272 3.846 4.120 -0.004 0.000 0.179 921 V C 0.314 176.591 176.094 0.304 0.000 0.447 921 V CA 1.791 64.202 62.300 0.185 0.000 1.137 921 V CB -3.099 28.818 31.823 0.157 0.000 1.301 921 V HN 1.027 nan 8.190 nan 0.000 1.146 922 F N -2.544 117.424 119.950 0.030 0.000 3.033 922 F HA 0.722 5.244 4.527 -0.008 0.000 0.332 922 F C -0.497 175.342 175.800 0.065 0.000 1.266 922 F CA -0.531 57.494 58.000 0.041 0.000 0.998 922 F CB 0.158 39.182 39.000 0.040 0.000 1.438 922 F HN 0.355 nan 8.300 nan 0.000 0.501 923 L N 2.571 123.601 121.223 -0.323 0.000 3.040 923 L HA -0.077 4.261 4.340 -0.004 0.000 0.594 923 L C -1.329 175.290 176.870 -0.418 0.000 1.002 923 L CA 0.802 55.487 54.840 -0.258 0.000 1.305 923 L CB -0.720 41.322 42.059 -0.028 0.000 1.539 923 L HN 0.745 nan 8.230 nan 0.000 0.746 924 D N 5.596 125.839 120.400 -0.262 0.000 2.328 924 D HA 0.623 5.261 4.640 -0.004 0.000 0.243 924 D C -0.783 175.676 176.300 0.264 0.000 1.324 924 D CA 0.326 54.231 54.000 -0.158 0.000 0.966 924 D CB 0.340 40.864 40.800 -0.460 0.000 1.324 924 D HN 0.480 nan 8.370 nan 0.000 0.549 925 F N -0.219 119.723 119.950 -0.014 0.000 2.741 925 F HA 0.769 5.293 4.527 -0.006 0.000 0.311 925 F C -1.592 174.182 175.800 -0.045 0.000 1.149 925 F CA -0.852 57.197 58.000 0.081 0.000 0.930 925 F CB 1.118 40.342 39.000 0.372 0.000 1.312 925 F HN 0.011 nan 8.300 nan 0.000 0.450 926 S N 0.848 116.418 115.700 -0.216 0.000 2.599 926 S HA 0.836 5.304 4.470 -0.004 0.000 0.287 926 S C -1.508 172.901 174.600 -0.319 0.000 1.105 926 S CA -0.814 57.113 58.200 -0.455 0.000 0.899 926 S CB 2.207 65.164 63.200 -0.404 0.000 1.100 926 S HN 0.642 nan 8.310 nan 0.000 0.482 927 V N 2.351 121.979 119.914 -0.476 0.000 2.577 927 V HA 0.762 4.880 4.120 -0.004 0.000 0.303 927 V C -0.517 175.395 176.094 -0.302 0.000 1.042 927 V CA -0.601 61.494 62.300 -0.342 0.000 0.872 927 V CB 1.742 33.323 31.823 -0.403 0.000 0.998 927 V HN 1.002 nan 8.190 nan 0.000 0.423 928 S N 4.558 120.162 115.700 -0.160 0.000 2.548 928 S HA 1.008 5.476 4.470 -0.004 0.000 0.286 928 S C -0.992 173.709 174.600 0.169 0.000 1.098 928 S CA -0.652 57.434 58.200 -0.189 0.000 0.930 928 S CB 2.452 65.643 63.200 -0.015 0.000 1.070 928 S HN 1.406 nan 8.310 nan 0.000 0.480 929 F N -2.479 117.525 119.950 0.090 0.000 2.829 929 F HA 0.735 5.260 4.527 -0.003 0.000 0.319 929 F C -2.557 173.498 175.800 0.425 0.000 1.153 929 F CA -1.707 56.562 58.000 0.449 0.000 0.912 929 F CB 0.069 39.402 39.000 0.555 0.000 1.292 929 F HN 0.641 nan 8.300 nan 0.000 0.447 930 W N 3.070 124.817 121.300 0.745 0.000 2.570 930 W HA 0.822 5.480 4.660 -0.004 0.000 0.337 930 W C -0.703 176.266 176.519 0.749 0.000 1.067 930 W CA -0.881 56.855 57.345 0.651 0.000 1.229 930 W CB 1.786 31.550 29.460 0.507 0.000 1.355 930 W HN 0.737 nan 8.180 nan 0.000 0.555 931 I N 1.875 122.840 120.570 0.658 0.000 2.894 931 I HA 0.537 4.705 4.170 -0.004 0.000 0.302 931 I C -1.150 174.867 176.117 -0.166 0.000 1.188 931 I CA -1.436 60.037 61.300 0.288 0.000 1.014 931 I CB 2.101 40.230 38.000 0.216 0.000 1.242 931 I HN 0.451 nan 8.210 nan 0.000 0.430 932 R N 7.042 127.320 120.500 -0.370 0.000 2.507 932 R HA 0.578 4.916 4.340 -0.004 0.000 0.298 932 R C -1.833 174.405 176.300 -0.103 0.000 1.087 932 R CA -0.448 55.384 56.100 -0.446 0.000 0.917 932 R CB 1.136 30.780 30.300 -1.093 0.000 1.173 932 R HN 0.542 nan 8.270 nan 0.000 0.472 933 I N 6.789 127.372 120.570 0.021 0.000 2.312 933 I HA 0.362 4.530 4.170 -0.004 0.000 0.290 933 I C -1.786 174.367 176.117 0.061 0.000 1.008 933 I CA -2.369 58.996 61.300 0.107 0.000 1.226 933 I CB 1.582 39.755 38.000 0.289 0.000 1.371 933 I HN 0.391 nan 8.210 nan 0.000 0.468 934 P HA -0.014 nan 4.420 nan 0.000 0.268 934 P C -0.624 176.609 177.300 -0.112 0.000 1.208 934 P CA -0.332 62.647 63.100 -0.202 0.000 0.777 934 P CB 0.924 32.248 31.700 -0.626 0.000 0.875 935 K N 2.227 122.491 120.400 -0.228 0.000 2.319 935 K HA 0.030 4.348 4.320 -0.004 0.000 0.265 935 K C 0.084 176.314 176.600 -0.616 0.000 1.000 935 K CA -0.344 55.623 56.287 -0.532 0.000 0.943 935 K CB -0.006 31.908 32.500 -0.977 0.000 0.950 935 K HN 0.378 nan 8.250 nan 0.000 0.485 936 Y N 0.866 120.835 120.300 -0.551 0.000 2.511 936 Y HA 0.171 4.719 4.550 -0.004 0.000 0.347 936 Y C -0.061 175.553 175.900 -0.477 0.000 1.257 936 Y CA -0.735 56.904 58.100 -0.769 0.000 1.469 936 Y CB 0.213 37.766 38.460 -1.511 0.000 1.353 936 Y HN 0.187 nan 8.280 nan 0.000 0.617 937 K N 2.617 122.942 120.400 -0.125 0.000 2.258 937 K HA 0.113 4.431 4.320 -0.004 0.000 0.284 937 K C 0.362 176.975 176.600 0.021 0.000 1.051 937 K CA -0.338 55.900 56.287 -0.082 0.000 0.923 937 K CB 0.953 33.429 32.500 -0.041 0.000 1.046 937 K HN 0.767 nan 8.250 nan 0.000 0.474 938 N N 2.013 120.743 118.700 0.050 0.000 2.094 938 N HA -0.204 4.534 4.740 -0.004 0.000 0.191 938 N C 0.691 176.249 175.510 0.080 0.000 1.023 938 N CA 1.592 54.714 53.050 0.119 0.000 0.857 938 N CB -0.068 38.553 38.487 0.222 0.000 1.013 938 N HN 0.626 nan 8.380 nan 0.000 0.426 939 D N -1.335 119.102 120.400 0.061 0.000 2.323 939 D HA 0.102 4.740 4.640 -0.004 0.000 0.239 939 D C 0.828 177.142 176.300 0.024 0.000 1.129 939 D CA 0.081 54.109 54.000 0.046 0.000 0.865 939 D CB -0.566 40.258 40.800 0.041 0.000 0.913 939 D HN 0.204 nan 8.370 nan 0.000 0.517 940 G N -0.187 108.621 108.800 0.014 0.000 4.424 940 G HA2 0.110 4.068 3.960 -0.004 0.000 0.287 940 G HA3 0.110 4.068 3.960 -0.004 0.000 0.287 940 G C 0.673 175.579 174.900 0.010 0.000 1.023 940 G CA -0.339 44.769 45.100 0.013 0.000 0.790 940 G HN 0.181 nan 8.290 nan 0.000 0.468 941 I N 0.172 120.716 120.570 -0.043 0.000 2.394 941 I HA -0.077 4.090 4.170 -0.004 0.000 0.251 941 I C 2.422 178.473 176.117 -0.109 0.000 1.136 941 I CA 1.391 62.620 61.300 -0.117 0.000 1.425 941 I CB 0.215 38.083 38.000 -0.220 0.000 1.079 941 I HN 0.085 nan 8.210 nan 0.000 0.425 942 Q N 0.500 120.234 119.800 -0.109 0.000 2.020 942 Q HA -0.177 4.161 4.340 -0.004 0.000 0.202 942 Q C 2.078 178.051 176.000 -0.045 0.000 0.982 942 Q CA 1.643 57.363 55.803 -0.138 0.000 0.838 942 Q CB -0.774 27.906 28.738 -0.096 0.000 0.899 942 Q HN 0.547 nan 8.270 nan 0.000 0.423 943 N N -0.050 118.659 118.700 0.014 0.000 2.244 943 N HA -0.147 4.591 4.740 -0.004 0.000 0.183 943 N C 1.668 177.234 175.510 0.093 0.000 1.016 943 N CA 0.785 53.873 53.050 0.063 0.000 0.866 943 N CB -0.447 38.069 38.487 0.048 0.000 0.980 943 N HN 0.326 nan 8.380 nan 0.000 0.430 944 Y N 2.413 122.694 120.300 -0.032 0.000 2.128 944 Y HA -0.142 4.406 4.550 -0.004 0.000 0.284 944 Y C 2.188 178.063 175.900 -0.041 0.000 1.154 944 Y CA 1.599 59.692 58.100 -0.011 0.000 1.149 944 Y CB -0.300 38.158 38.460 -0.003 0.000 0.976 944 Y HN 0.078 nan 8.280 nan 0.000 0.505 945 I N -2.436 118.132 120.570 -0.003 0.000 2.928 945 I HA -0.049 4.119 4.170 -0.004 0.000 0.266 945 I C 1.983 178.027 176.117 -0.121 0.000 1.234 945 I CA 1.704 62.913 61.300 -0.153 0.000 1.483 945 I CB -0.573 37.300 38.000 -0.211 0.000 1.097 945 I HN 0.197 nan 8.210 nan 0.000 0.455 946 H N 1.416 120.398 119.070 -0.147 0.000 2.476 946 H HA 0.259 4.813 4.556 -0.003 0.000 0.292 946 H C 0.401 175.677 175.328 -0.086 0.000 1.019 946 H CA 0.230 56.210 56.048 -0.114 0.000 1.330 946 H CB 0.362 30.071 29.762 -0.089 0.000 1.451 946 H HN 0.193 nan 8.280 nan 0.000 0.535 947 N N 2.395 121.053 118.700 -0.071 0.000 2.402 947 N HA 0.004 4.742 4.740 -0.004 0.000 0.252 947 N C -0.560 174.933 175.510 -0.027 0.000 1.118 947 N CA 0.044 53.055 53.050 -0.064 0.000 0.945 947 N CB 0.946 39.453 38.487 0.033 0.000 1.147 947 N HN 0.568 nan 8.380 nan 0.000 0.495 948 E N 2.722 122.862 120.200 -0.100 0.000 2.283 948 E HA 0.205 4.553 4.350 -0.004 0.000 0.278 948 E C -1.175 175.446 176.600 0.034 0.000 1.027 948 E CA -0.633 55.704 56.400 -0.106 0.000 0.843 948 E CB 0.524 30.123 29.700 -0.168 0.000 1.062 948 E HN 0.516 nan 8.360 nan 0.000 0.401 949 Y N 0.025 120.273 120.300 -0.087 0.000 2.470 949 Y HA 0.420 4.968 4.550 -0.003 0.000 0.341 949 Y C -0.657 175.221 175.900 -0.036 0.000 1.021 949 Y CA -1.225 56.841 58.100 -0.058 0.000 1.025 949 Y CB 1.019 39.451 38.460 -0.048 0.000 1.266 949 Y HN 0.198 nan 8.280 nan 0.000 0.448 950 T N 4.434 119.022 114.554 0.055 0.000 2.898 950 T HA 0.295 4.643 4.350 -0.004 0.000 0.301 950 T C 1.173 175.915 174.700 0.070 0.000 1.049 950 T CA 0.160 62.259 62.100 -0.002 0.000 1.095 950 T CB 0.729 69.586 68.868 -0.018 0.000 0.976 950 T HN 0.833 nan 8.240 nan 0.000 0.539 951 I N -1.268 119.318 120.570 0.025 0.000 4.530 951 I HA 0.506 4.674 4.170 -0.004 0.000 0.318 951 I C -0.140 175.958 176.117 -0.031 0.000 1.257 951 I CA -0.010 61.331 61.300 0.069 0.000 1.301 951 I CB 0.607 38.667 38.000 0.099 0.000 1.297 951 I HN 0.341 nan 8.210 nan 0.000 0.451 952 I N 2.527 123.036 120.570 -0.102 0.000 2.500 952 I HA 0.342 4.509 4.170 -0.004 0.000 0.286 952 I C -1.248 174.733 176.117 -0.226 0.000 1.063 952 I CA -0.267 60.855 61.300 -0.296 0.000 1.062 952 I CB 1.851 39.630 38.000 -0.368 0.000 1.223 952 I HN 0.186 nan 8.210 nan 0.000 0.435 953 N N 5.497 124.007 118.700 -0.317 0.000 2.314 953 N HA 0.449 5.187 4.740 -0.004 0.000 0.294 953 N C -1.588 173.616 175.510 -0.512 0.000 1.029 953 N CA -0.366 52.479 53.050 -0.341 0.000 0.845 953 N CB 2.325 40.681 38.487 -0.219 0.000 1.321 953 N HN 0.610 nan 8.380 nan 0.000 0.481 954 C N 6.948 125.786 119.300 -0.769 0.000 2.814 954 C HA 0.526 4.984 4.460 -0.004 0.000 0.269 954 C C -1.066 173.553 174.990 -0.618 0.000 1.090 954 C CA -0.547 57.950 59.018 -0.869 0.000 1.492 954 C CB -0.909 25.772 27.740 -1.765 0.000 1.825 954 C HN 0.629 nan 8.230 nan 0.000 0.442 955 M N 4.052 123.440 119.600 -0.353 0.000 2.383 955 M HA 0.510 4.988 4.480 -0.004 0.000 0.325 955 M C -0.679 175.526 176.300 -0.159 0.000 1.092 955 M CA -0.175 54.981 55.300 -0.239 0.000 0.961 955 M CB 1.941 34.429 32.600 -0.186 0.000 1.672 955 M HN 0.597 nan 8.290 nan 0.000 0.438 956 K N 3.074 123.398 120.400 -0.126 0.000 2.637 956 K HA 0.323 4.641 4.320 -0.004 0.000 0.248 956 K C -0.759 175.801 176.600 -0.068 0.000 0.971 956 K CA -0.166 56.071 56.287 -0.083 0.000 0.858 956 K CB 0.725 33.186 32.500 -0.065 0.000 1.170 956 K HN 0.753 nan 8.250 nan 0.000 0.443 957 N N 4.033 122.699 118.700 -0.056 0.000 2.780 957 N HA -0.182 4.556 4.740 -0.004 0.000 0.247 957 N C -0.986 174.493 175.510 -0.051 0.000 1.076 957 N CA 1.007 54.030 53.050 -0.046 0.000 0.688 957 N CB -1.148 37.317 38.487 -0.037 0.000 0.957 957 N HN 0.975 nan 8.380 nan 0.000 0.551 958 N N -1.883 116.781 118.700 -0.060 0.000 2.714 958 N HA -0.203 4.535 4.740 -0.004 0.000 0.250 958 N C -0.508 174.963 175.510 -0.065 0.000 1.117 958 N CA 1.611 54.624 53.050 -0.061 0.000 0.719 958 N CB -0.902 37.557 38.487 -0.047 0.000 1.081 958 N HN 0.636 nan 8.380 nan 0.000 0.557 959 S N -1.611 114.044 115.700 -0.076 0.000 2.549 959 S HA 0.843 5.310 4.470 -0.004 0.000 0.280 959 S C 0.195 174.733 174.600 -0.102 0.000 1.109 959 S CA 0.466 58.621 58.200 -0.074 0.000 0.905 959 S CB 2.270 65.435 63.200 -0.059 0.000 1.081 959 S HN 0.817 nan 8.310 nan 0.000 0.477 960 G N 2.381 111.128 108.800 -0.089 0.000 2.334 960 G HA2 0.195 4.153 3.960 -0.004 0.000 0.249 960 G HA3 0.195 4.153 3.960 -0.004 0.000 0.249 960 G C -1.703 173.177 174.900 -0.033 0.000 1.327 960 G CA -0.137 44.899 45.100 -0.106 0.000 0.979 960 G HN 1.085 nan 8.290 nan 0.000 0.471 961 W N 0.067 121.284 121.300 -0.139 0.000 2.929 961 W HA 0.893 5.552 4.660 -0.000 0.000 0.345 961 W C -0.782 175.576 176.519 -0.270 0.000 1.151 961 W CA -1.098 56.065 57.345 -0.305 0.000 1.111 961 W CB 1.791 31.073 29.460 -0.297 0.000 1.449 961 W HN 0.886 nan 8.180 nan 0.000 0.572 962 K N 1.041 121.389 120.400 -0.088 0.000 2.562 962 K HA 0.587 4.905 4.320 -0.004 0.000 0.267 962 K C -2.158 174.507 176.600 0.108 0.000 0.938 962 K CA -0.674 55.598 56.287 -0.026 0.000 0.840 962 K CB 2.609 35.035 32.500 -0.125 0.000 1.390 962 K HN 0.641 nan 8.250 nan 0.000 0.428 963 I N 3.142 123.845 120.570 0.222 0.000 2.418 963 I HA 0.286 4.453 4.170 -0.004 0.000 0.287 963 I C -0.447 175.736 176.117 0.111 0.000 1.008 963 I CA -0.453 61.026 61.300 0.300 0.000 1.104 963 I CB 1.979 40.234 38.000 0.424 0.000 1.264 963 I HN 0.761 nan 8.210 nan 0.000 0.438 964 S N 6.540 122.277 115.700 0.062 0.000 2.704 964 S HA 0.806 5.273 4.470 -0.004 0.000 0.296 964 S C -0.830 173.667 174.600 -0.172 0.000 1.138 964 S CA -0.819 57.325 58.200 -0.092 0.000 0.875 964 S CB 2.362 65.493 63.200 -0.116 0.000 1.151 964 S HN 0.427 nan 8.310 nan 0.000 0.500 965 I N 0.521 120.802 120.570 -0.481 0.000 2.582 965 I HA 0.553 4.721 4.170 -0.004 0.000 0.292 965 I C -0.419 175.321 176.117 -0.627 0.000 1.066 965 I CA -0.585 60.388 61.300 -0.546 0.000 1.053 965 I CB 2.384 39.978 38.000 -0.676 0.000 1.241 965 I HN 0.685 nan 8.210 nan 0.000 0.421 966 R N 4.125 124.384 120.500 -0.401 0.000 2.467 966 R HA 0.515 4.853 4.340 -0.004 0.000 0.299 966 R C 0.454 176.491 176.300 -0.437 0.000 1.120 966 R CA 0.367 56.255 56.100 -0.354 0.000 0.940 966 R CB 1.187 31.299 30.300 -0.314 0.000 1.161 966 R HN 0.941 nan 8.270 nan 0.000 0.506 967 G N 3.985 112.434 108.800 -0.584 0.000 2.646 967 G HA2 -0.469 3.489 3.960 -0.004 0.000 0.324 967 G HA3 -0.469 3.489 3.960 -0.004 0.000 0.324 967 G C 0.344 174.773 174.900 -0.785 0.000 1.195 967 G CA 0.661 44.977 45.100 -1.307 0.000 0.976 967 G HN 0.746 nan 8.290 nan 0.000 0.546 968 N N 1.313 119.693 118.700 -0.534 0.000 2.276 968 N HA 0.097 4.835 4.740 -0.004 0.000 0.212 968 N C 0.697 175.656 175.510 -0.920 0.000 1.127 968 N CA 0.650 53.300 53.050 -0.665 0.000 0.834 968 N CB 0.403 38.597 38.487 -0.488 0.000 1.014 968 N HN 0.854 nan 8.380 nan 0.000 0.491 969 R N 0.500 120.702 120.500 -0.496 0.000 2.562 969 R HA 0.529 4.866 4.340 -0.004 0.000 0.298 969 R C -1.325 174.905 176.300 -0.117 0.000 0.961 969 R CA -0.732 55.166 56.100 -0.337 0.000 0.881 969 R CB 1.451 31.526 30.300 -0.375 0.000 1.159 969 R HN 0.180 nan 8.270 nan 0.000 0.450 970 I N 5.563 126.187 120.570 0.090 0.000 2.406 970 I HA 0.413 4.581 4.170 -0.004 0.000 0.290 970 I C -1.265 175.002 176.117 0.249 0.000 0.999 970 I CA -0.894 60.527 61.300 0.202 0.000 1.124 970 I CB 1.218 39.452 38.000 0.391 0.000 1.289 970 I HN 0.628 nan 8.210 nan 0.000 0.441 971 I N 7.580 128.267 120.570 0.194 0.000 2.474 971 I HA 0.302 4.470 4.170 -0.004 0.000 0.294 971 I C -1.006 175.306 176.117 0.326 0.000 1.005 971 I CA -0.459 60.987 61.300 0.244 0.000 1.113 971 I CB 1.665 39.724 38.000 0.099 0.000 1.289 971 I HN 0.611 nan 8.210 nan 0.000 0.436 972 W N 6.676 128.065 121.300 0.149 0.000 2.376 972 W HA 0.508 5.167 4.660 -0.002 0.000 0.312 972 W C -1.405 175.192 176.519 0.130 0.000 1.060 972 W CA -0.426 57.005 57.345 0.143 0.000 1.221 972 W CB 1.811 31.328 29.460 0.096 0.000 1.281 972 W HN 0.415 nan 8.180 nan 0.000 0.456 973 T N 7.088 121.379 114.554 -0.438 0.000 2.824 973 T HA 0.520 4.868 4.350 -0.004 0.000 0.282 973 T C -0.251 174.146 174.700 -0.504 0.000 0.993 973 T CA -0.508 61.374 62.100 -0.363 0.000 0.967 973 T CB 1.731 70.497 68.868 -0.170 0.000 0.960 973 T HN 0.293 nan 8.240 nan 0.000 0.441 974 L N 3.471 124.511 121.223 -0.305 0.000 2.334 974 L HA 0.688 5.026 4.340 -0.004 0.000 0.273 974 L C -0.641 176.181 176.870 -0.080 0.000 1.013 974 L CA -1.072 53.669 54.840 -0.164 0.000 0.816 974 L CB 1.741 43.775 42.059 -0.040 0.000 1.278 974 L HN 0.553 nan 8.230 nan 0.000 0.431 975 I N 1.727 122.266 120.570 -0.051 0.000 2.540 975 I HA 0.135 4.303 4.170 -0.004 0.000 0.280 975 I C -0.833 175.267 176.117 -0.029 0.000 1.083 975 I CA -0.772 60.502 61.300 -0.044 0.000 1.080 975 I CB 1.687 39.648 38.000 -0.064 0.000 1.205 975 I HN 0.597 nan 8.210 nan 0.000 0.459 976 D N 5.656 126.047 120.400 -0.015 0.000 2.363 976 D HA 0.031 4.669 4.640 -0.004 0.000 0.240 976 D C 1.538 177.826 176.300 -0.021 0.000 1.236 976 D CA -0.421 53.572 54.000 -0.012 0.000 0.927 976 D CB 0.928 41.728 40.800 0.001 0.000 1.150 976 D HN 0.616 nan 8.370 nan 0.000 0.458 977 I N -2.503 118.054 120.570 -0.020 0.000 2.399 977 I HA -0.272 3.895 4.170 -0.004 0.000 0.254 977 I C 0.883 176.989 176.117 -0.018 0.000 1.146 977 I CA 1.204 62.491 61.300 -0.022 0.000 1.412 977 I CB -0.559 37.430 38.000 -0.019 0.000 1.076 977 I HN 0.177 nan 8.210 nan 0.000 0.432 978 N N 1.480 120.172 118.700 -0.012 0.000 2.494 978 N HA 0.037 4.775 4.740 -0.004 0.000 0.182 978 N C 1.617 177.119 175.510 -0.013 0.000 1.076 978 N CA 1.259 54.303 53.050 -0.009 0.000 0.908 978 N CB 0.530 39.015 38.487 -0.003 0.000 0.967 978 N HN 0.716 nan 8.380 nan 0.000 0.449 979 G N 1.071 109.860 108.800 -0.018 0.000 2.176 979 G HA2 -0.282 3.676 3.960 -0.004 0.000 0.232 979 G HA3 -0.282 3.676 3.960 -0.004 0.000 0.232 979 G C 0.128 175.016 174.900 -0.019 0.000 0.986 979 G CA -0.080 45.007 45.100 -0.022 0.000 0.643 979 G HN 0.377 nan 8.290 nan 0.000 0.522 980 K N 1.322 121.715 120.400 -0.012 0.000 2.401 980 K HA 0.442 4.759 4.320 -0.004 0.000 0.278 980 K C -0.254 176.339 176.600 -0.012 0.000 1.018 980 K CA 0.660 56.943 56.287 -0.008 0.000 0.981 980 K CB 0.199 32.700 32.500 0.001 0.000 0.933 980 K HN 0.122 nan 8.250 nan 0.000 0.477 981 T N 4.660 119.207 114.554 -0.012 0.000 2.856 981 T HA 0.427 4.775 4.350 -0.004 0.000 0.283 981 T C -0.953 173.744 174.700 -0.005 0.000 1.008 981 T CA -0.943 61.146 62.100 -0.018 0.000 0.997 981 T CB 1.375 70.226 68.868 -0.028 0.000 0.992 981 T HN 0.395 nan 8.240 nan 0.000 0.454 982 K N 1.489 121.885 120.400 -0.006 0.000 2.502 982 K HA 0.771 5.089 4.320 -0.004 0.000 0.257 982 K C -1.027 175.584 176.600 0.018 0.000 0.938 982 K CA -0.759 55.539 56.287 0.018 0.000 0.819 982 K CB 2.615 35.136 32.500 0.034 0.000 1.333 982 K HN 0.603 nan 8.250 nan 0.000 0.434 983 S N 0.040 115.775 115.700 0.059 0.000 2.618 983 S HA 0.638 5.106 4.470 -0.004 0.000 0.277 983 S C -1.503 173.186 174.600 0.149 0.000 1.138 983 S CA -0.749 57.513 58.200 0.103 0.000 0.844 983 S CB 2.556 65.824 63.200 0.114 0.000 1.127 983 S HN 0.335 nan 8.310 nan 0.000 0.474 984 V N 2.925 122.965 119.914 0.210 0.000 2.932 984 V HA 0.904 5.022 4.120 -0.004 0.000 0.307 984 V C -2.090 174.131 176.094 0.212 0.000 1.147 984 V CA -0.741 61.623 62.300 0.108 0.000 0.951 984 V CB 1.614 33.495 31.823 0.097 0.000 1.031 984 V HN 0.879 nan 8.190 nan 0.000 0.426 985 F N 4.488 124.492 119.950 0.090 0.000 2.685 985 F HA 0.866 5.391 4.527 -0.002 0.000 0.315 985 F C -1.879 173.996 175.800 0.126 0.000 1.126 985 F CA -1.629 56.431 58.000 0.100 0.000 0.950 985 F CB 1.687 40.708 39.000 0.034 0.000 1.360 985 F HN 0.516 nan 8.300 nan 0.000 0.469 986 F N 1.744 121.853 119.950 0.265 0.000 2.539 986 F HA 0.588 5.113 4.527 -0.002 0.000 0.318 986 F C -1.164 174.734 175.800 0.162 0.000 1.135 986 F CA -0.666 57.398 58.000 0.107 0.000 0.915 986 F CB 1.699 40.692 39.000 -0.013 0.000 1.176 986 F HN 0.806 nan 8.300 nan 0.000 0.440 987 E N 6.316 126.185 120.200 -0.551 0.000 2.199 987 E HA 0.349 4.697 4.350 -0.004 0.000 0.265 987 E C -1.726 174.342 176.600 -0.886 0.000 0.882 987 E CA -0.812 55.210 56.400 -0.631 0.000 0.759 987 E CB 1.361 30.913 29.700 -0.246 0.000 1.148 987 E HN 0.613 nan 8.360 nan 0.000 0.412 988 Y N 1.713 121.600 120.300 -0.690 0.000 2.419 988 Y HA 0.440 4.988 4.550 -0.004 0.000 0.328 988 Y C -0.033 175.815 175.900 -0.086 0.000 1.162 988 Y CA -1.419 56.412 58.100 -0.448 0.000 1.174 988 Y CB 0.398 38.653 38.460 -0.341 0.000 1.228 988 Y HN 0.415 nan 8.280 nan 0.000 0.473 989 N N 2.036 120.861 118.700 0.207 0.000 2.513 989 N HA 0.188 4.926 4.740 -0.004 0.000 0.268 989 N C 0.095 175.793 175.510 0.313 0.000 1.180 989 N CA -0.249 52.919 53.050 0.196 0.000 0.948 989 N CB 0.385 38.980 38.487 0.180 0.000 1.083 989 N HN 0.804 nan 8.380 nan 0.000 0.455 990 I N -0.114 120.604 120.570 0.246 0.000 3.816 990 I HA 0.372 4.540 4.170 -0.004 0.000 0.334 990 I C 0.385 176.640 176.117 0.230 0.000 1.551 990 I CA -0.359 61.131 61.300 0.317 0.000 1.153 990 I CB 0.271 38.439 38.000 0.280 0.000 1.197 990 I HN 0.422 nan 8.210 nan 0.000 0.439 991 R N 0.582 121.201 120.500 0.198 0.000 2.509 991 R HA 0.275 4.612 4.340 -0.004 0.000 0.297 991 R C -0.126 176.284 176.300 0.183 0.000 0.951 991 R CA -0.311 55.883 56.100 0.156 0.000 1.103 991 R CB 0.649 31.006 30.300 0.095 0.000 1.283 991 R HN 0.326 nan 8.270 nan 0.000 0.534 992 E N 1.470 121.804 120.200 0.223 0.000 2.392 992 E HA -0.050 4.298 4.350 -0.004 0.000 0.264 992 E C 0.178 176.924 176.600 0.244 0.000 1.024 992 E CA 0.215 56.741 56.400 0.211 0.000 0.903 992 E CB 0.803 30.633 29.700 0.216 0.000 0.963 992 E HN 0.033 nan 8.360 nan 0.000 0.432 993 D N 0.939 121.461 120.400 0.202 0.000 2.123 993 D HA -0.076 4.562 4.640 -0.004 0.000 0.196 993 D C 0.439 176.890 176.300 0.253 0.000 0.992 993 D CA 1.282 55.411 54.000 0.216 0.000 0.833 993 D CB 0.344 41.244 40.800 0.166 0.000 0.954 993 D HN 0.272 nan 8.370 nan 0.000 0.455 994 I N 0.310 121.013 120.570 0.222 0.000 2.500 994 I HA 0.100 4.268 4.170 -0.004 0.000 0.286 994 I C -0.252 175.966 176.117 0.168 0.000 1.063 994 I CA -0.453 60.963 61.300 0.194 0.000 1.062 994 I CB 1.740 39.866 38.000 0.210 0.000 1.223 994 I HN -0.260 nan 8.210 nan 0.000 0.435 995 S N 4.247 120.059 115.700 0.186 0.000 2.554 995 S HA 0.320 4.788 4.470 -0.004 0.000 0.278 995 S C 0.942 175.518 174.600 -0.039 0.000 1.242 995 S CA -0.241 58.046 58.200 0.145 0.000 1.051 995 S CB 1.235 64.604 63.200 0.281 0.000 0.986 995 S HN 0.617 nan 8.310 nan 0.000 0.502 996 E N 2.328 122.383 120.200 -0.242 0.000 2.435 996 E HA -0.002 4.346 4.350 -0.004 0.000 0.195 996 E C 0.200 176.437 176.600 -0.605 0.000 1.029 996 E CA 0.695 56.773 56.400 -0.537 0.000 0.865 996 E CB 0.182 29.377 29.700 -0.842 0.000 0.833 996 E HN 0.847 nan 8.360 nan 0.000 0.510 997 Y N -0.248 120.025 120.300 -0.045 0.000 2.609 997 Y HA 0.225 4.773 4.550 -0.004 0.000 0.281 997 Y C 0.961 176.850 175.900 -0.018 0.000 1.132 997 Y CA -0.564 57.456 58.100 -0.133 0.000 1.264 997 Y CB 0.458 38.546 38.460 -0.620 0.000 1.325 997 Y HN -0.169 nan 8.280 nan 0.000 0.514 998 I N 2.974 123.630 120.570 0.142 0.000 2.752 998 I HA -0.198 3.969 4.170 -0.004 0.000 0.286 998 I C 0.982 177.340 176.117 0.402 0.000 1.180 998 I CA 0.983 62.446 61.300 0.271 0.000 1.404 998 I CB -0.218 38.038 38.000 0.426 0.000 1.389 998 I HN 0.549 nan 8.210 nan 0.000 0.549 999 N N 4.149 123.014 118.700 0.275 0.000 2.753 999 N HA -0.209 4.529 4.740 -0.004 0.000 0.251 999 N C -0.322 175.339 175.510 0.252 0.000 1.097 999 N CA 0.605 53.747 53.050 0.152 0.000 0.786 999 N CB -0.146 38.358 38.487 0.028 0.000 1.137 999 N HN 0.622 nan 8.380 nan 0.000 0.566 1000 R N -0.360 120.353 120.500 0.354 0.000 2.637 1000 R HA 0.259 4.596 4.340 -0.004 0.000 0.291 1000 R C -0.850 175.716 176.300 0.443 0.000 0.963 1000 R CA -0.624 55.730 56.100 0.423 0.000 0.901 1000 R CB 0.700 31.225 30.300 0.375 0.000 1.160 1000 R HN 0.092 nan 8.270 nan 0.000 0.457 1001 W N 3.758 125.321 121.300 0.439 0.000 2.322 1001 W HA 0.082 4.740 4.660 -0.004 0.000 0.328 1001 W C 0.075 177.029 176.519 0.725 0.000 1.395 1001 W CA 0.369 58.003 57.345 0.483 0.000 1.267 1001 W CB 0.207 29.927 29.460 0.434 0.000 1.259 1001 W HN 0.453 nan 8.180 nan 0.000 0.560 1002 F N 2.446 122.888 119.950 0.821 0.000 2.643 1002 F HA 0.630 5.154 4.527 -0.005 0.000 0.314 1002 F C -1.724 174.219 175.800 0.237 0.000 1.096 1002 F CA -2.588 55.732 58.000 0.534 0.000 0.953 1002 F CB 0.811 40.060 39.000 0.415 0.000 1.345 1002 F HN 0.100 nan 8.300 nan 0.000 0.468 1003 F N 3.017 122.825 119.950 -0.236 0.000 2.404 1003 F HA 0.716 5.239 4.527 -0.006 0.000 0.354 1003 F C -1.064 174.448 175.800 -0.479 0.000 1.122 1003 F CA -1.339 56.157 58.000 -0.840 0.000 1.080 1003 F CB 1.112 39.331 39.000 -1.303 0.000 1.131 1003 F HN 0.422 nan 8.300 nan 0.000 0.471 1004 V N 4.840 124.131 119.914 -1.038 0.000 2.547 1004 V HA 0.634 4.751 4.120 -0.004 0.000 0.299 1004 V C -0.420 174.844 176.094 -1.384 0.000 1.040 1004 V CA -0.502 61.150 62.300 -1.080 0.000 0.913 1004 V CB 1.936 33.058 31.823 -1.169 0.000 0.992 1004 V HN 0.831 nan 8.190 nan 0.000 0.449 1005 T N 5.168 119.149 114.554 -0.956 0.000 3.109 1005 T HA 0.597 4.945 4.350 -0.004 0.000 0.311 1005 T C -0.842 173.539 174.700 -0.531 0.000 1.011 1005 T CA -0.199 61.426 62.100 -0.792 0.000 1.026 1005 T CB 1.164 69.550 68.868 -0.802 0.000 1.047 1005 T HN 0.328 nan 8.240 nan 0.000 0.448 1006 I N 3.419 123.624 120.570 -0.607 0.000 2.389 1006 I HA 0.505 4.672 4.170 -0.004 0.000 0.288 1006 I C 0.598 176.287 176.117 -0.713 0.000 0.999 1006 I CA -0.374 60.508 61.300 -0.697 0.000 1.129 1006 I CB 1.991 39.287 38.000 -1.173 0.000 1.288 1006 I HN 0.709 nan 8.210 nan 0.000 0.444 1007 T N 2.484 116.746 114.554 -0.485 0.000 2.856 1007 T HA 0.596 4.944 4.350 -0.004 0.000 0.283 1007 T C -0.549 173.945 174.700 -0.345 0.000 1.008 1007 T CA -0.906 60.945 62.100 -0.415 0.000 0.997 1007 T CB 1.389 70.114 68.868 -0.239 0.000 0.992 1007 T HN 0.444 nan 8.240 nan 0.000 0.454 1008 N N 2.587 121.095 118.700 -0.320 0.000 2.249 1008 N HA 0.489 5.227 4.740 -0.004 0.000 0.296 1008 N C -1.099 174.378 175.510 -0.055 0.000 1.051 1008 N CA -0.653 52.313 53.050 -0.139 0.000 0.815 1008 N CB 2.549 40.985 38.487 -0.085 0.000 1.487 1008 N HN 0.926 nan 8.380 nan 0.000 0.475 1009 N N -0.497 118.203 118.700 -0.001 0.000 3.278 1009 N HA 0.273 5.011 4.740 -0.004 0.000 0.307 1009 N C 0.796 176.364 175.510 0.096 0.000 1.551 1009 N CA -0.675 52.393 53.050 0.029 0.000 0.794 1009 N CB 0.140 38.683 38.487 0.093 0.000 1.770 1009 N HN 0.133 nan 8.380 nan 0.000 0.612 1010 L N -1.554 119.836 121.223 0.278 0.000 2.043 1010 L HA 0.019 4.357 4.340 -0.004 0.000 0.212 1010 L C 1.255 178.227 176.870 0.170 0.000 1.075 1010 L CA 1.646 56.688 54.840 0.336 0.000 0.752 1010 L CB -1.584 40.744 42.059 0.449 0.000 0.891 1010 L HN 0.556 nan 8.230 nan 0.000 0.432 1011 N N -0.645 118.131 118.700 0.126 0.000 2.420 1011 N HA 0.064 4.802 4.740 -0.004 0.000 0.185 1011 N C 0.405 175.948 175.510 0.056 0.000 1.033 1011 N CA 0.540 53.636 53.050 0.077 0.000 0.879 1011 N CB -0.007 38.514 38.487 0.057 0.000 1.071 1011 N HN 0.462 nan 8.380 nan 0.000 0.437 1012 N N 0.240 118.966 118.700 0.044 0.000 2.471 1012 N HA 0.537 5.275 4.740 -0.004 0.000 0.288 1012 N C -1.056 174.465 175.510 0.019 0.000 1.220 1012 N CA -0.394 52.668 53.050 0.021 0.000 0.893 1012 N CB 2.215 40.697 38.487 -0.009 0.000 1.256 1012 N HN 0.006 nan 8.380 nan 0.000 0.534 1013 A N 0.869 123.694 122.820 0.008 0.000 2.375 1013 A HA 0.498 4.815 4.320 -0.004 0.000 0.291 1013 A C -0.695 176.845 177.584 -0.075 0.000 1.160 1013 A CA -0.664 51.376 52.037 0.005 0.000 0.747 1013 A CB 0.688 19.775 19.000 0.146 0.000 1.170 1013 A HN 0.536 nan 8.150 nan 0.000 0.458 1014 K N 1.983 122.294 120.400 -0.148 0.000 2.259 1014 K HA 0.708 5.026 4.320 -0.004 0.000 0.252 1014 K C -1.204 175.231 176.600 -0.275 0.000 0.936 1014 K CA -0.390 55.762 56.287 -0.225 0.000 0.810 1014 K CB 2.508 34.870 32.500 -0.229 0.000 1.143 1014 K HN 0.638 nan 8.250 nan 0.000 0.427 1015 I N 3.184 123.548 120.570 -0.345 0.000 2.406 1015 I HA 0.302 4.470 4.170 -0.004 0.000 0.290 1015 I C -1.068 174.777 176.117 -0.454 0.000 0.999 1015 I CA -0.901 60.208 61.300 -0.318 0.000 1.124 1015 I CB 0.829 38.699 38.000 -0.217 0.000 1.289 1015 I HN 0.458 nan 8.210 nan 0.000 0.441 1016 Y N 6.162 126.196 120.300 -0.443 0.000 2.409 1016 Y HA 0.559 5.108 4.550 -0.003 0.000 0.339 1016 Y C -0.041 175.510 175.900 -0.581 0.000 1.033 1016 Y CA -0.920 56.903 58.100 -0.461 0.000 1.094 1016 Y CB 1.721 39.927 38.460 -0.423 0.000 1.210 1016 Y HN 0.225 nan 8.280 nan 0.000 0.456 1017 I N 3.331 123.631 120.570 -0.451 0.000 2.447 1017 I HA 0.189 4.357 4.170 -0.004 0.000 0.287 1017 I C -0.415 175.455 176.117 -0.412 0.000 1.023 1017 I CA -1.049 59.925 61.300 -0.544 0.000 1.083 1017 I CB 1.384 38.797 38.000 -0.979 0.000 1.245 1017 I HN 0.728 nan 8.210 nan 0.000 0.434 1018 N N 5.059 123.498 118.700 -0.436 0.000 2.716 1018 N HA -0.215 4.523 4.740 -0.004 0.000 0.250 1018 N C 1.172 176.134 175.510 -0.913 0.000 1.033 1018 N CA 1.374 53.885 53.050 -0.899 0.000 0.727 1018 N CB -0.962 37.148 38.487 -0.627 0.000 0.950 1018 N HN 1.150 nan 8.380 nan 0.000 0.541 1019 G N -1.217 107.320 108.800 -0.439 0.000 2.234 1019 G HA2 -0.386 3.572 3.960 -0.004 0.000 0.260 1019 G HA3 -0.386 3.572 3.960 -0.004 0.000 0.260 1019 G C 0.054 174.929 174.900 -0.041 0.000 0.987 1019 G CA 0.837 45.829 45.100 -0.180 0.000 0.625 1019 G HN 0.704 nan 8.290 nan 0.000 0.532 1020 K N 0.583 120.914 120.400 -0.114 0.000 2.211 1020 K HA 0.627 4.945 4.320 -0.004 0.000 0.275 1020 K C 0.275 176.767 176.600 -0.180 0.000 1.024 1020 K CA -1.068 55.166 56.287 -0.089 0.000 0.887 1020 K CB 0.818 33.244 32.500 -0.123 0.000 1.084 1020 K HN 0.208 nan 8.250 nan 0.000 0.463 1021 L N 4.460 125.524 121.223 -0.264 0.000 2.462 1021 L HA 0.053 4.390 4.340 -0.004 0.000 0.272 1021 L C 0.516 177.136 176.870 -0.416 0.000 1.166 1021 L CA 0.948 55.396 54.840 -0.655 0.000 0.880 1021 L CB 0.625 42.311 42.059 -0.622 0.000 1.142 1021 L HN 0.813 nan 8.230 nan 0.000 0.473 1022 E N 2.095 122.029 120.200 -0.443 0.000 2.332 1022 E HA 0.243 4.591 4.350 -0.004 0.000 0.202 1022 E C -0.147 176.328 176.600 -0.208 0.000 0.877 1022 E CA 0.325 56.567 56.400 -0.264 0.000 0.979 1022 E CB 0.589 30.110 29.700 -0.298 0.000 0.969 1022 E HN 0.699 nan 8.360 nan 0.000 0.495 1023 S N 0.546 116.078 115.700 -0.280 0.000 2.627 1023 S HA 0.542 5.010 4.470 -0.004 0.000 0.283 1023 S C -0.786 173.658 174.600 -0.259 0.000 1.127 1023 S CA -0.865 57.184 58.200 -0.252 0.000 0.863 1023 S CB 2.363 65.409 63.200 -0.256 0.000 1.121 1023 S HN 0.033 nan 8.310 nan 0.000 0.479 1024 N N 0.368 118.943 118.700 -0.208 0.000 2.371 1024 N HA 0.506 5.243 4.740 -0.004 0.000 0.280 1024 N C -2.066 173.375 175.510 -0.114 0.000 1.084 1024 N CA -0.150 52.804 53.050 -0.159 0.000 0.892 1024 N CB 2.290 40.689 38.487 -0.147 0.000 1.653 1024 N HN 0.586 nan 8.380 nan 0.000 0.480 1025 T N 1.154 115.668 114.554 -0.066 0.000 2.971 1025 T HA 0.180 4.528 4.350 -0.004 0.000 0.304 1025 T C -1.296 173.402 174.700 -0.002 0.000 1.038 1025 T CA -0.652 61.430 62.100 -0.030 0.000 1.007 1025 T CB 1.554 70.422 68.868 0.000 0.000 1.055 1025 T HN 0.392 nan 8.240 nan 0.000 0.451 1026 D N 3.170 123.570 120.400 0.001 0.000 2.383 1026 D HA 0.144 4.782 4.640 -0.004 0.000 0.252 1026 D C 0.462 176.781 176.300 0.031 0.000 1.166 1026 D CA -0.238 53.770 54.000 0.014 0.000 0.879 1026 D CB 0.588 41.394 40.800 0.009 0.000 1.164 1026 D HN 0.667 nan 8.370 nan 0.000 0.462 1027 I N 0.753 121.349 120.570 0.044 0.000 3.176 1027 I HA 0.219 4.387 4.170 -0.004 0.000 0.339 1027 I C 0.927 177.080 176.117 0.059 0.000 1.505 1027 I CA -0.811 60.523 61.300 0.057 0.000 0.969 1027 I CB 0.544 38.593 38.000 0.080 0.000 1.636 1027 I HN 0.051 nan 8.210 nan 0.000 0.523 1028 K N 0.962 121.392 120.400 0.050 0.000 2.062 1028 K HA -0.056 4.261 4.320 -0.004 0.000 0.205 1028 K C 1.068 177.697 176.600 0.047 0.000 1.051 1028 K CA 1.526 57.844 56.287 0.052 0.000 0.941 1028 K CB -0.002 32.523 32.500 0.041 0.000 0.719 1028 K HN 0.392 nan 8.250 nan 0.000 0.440 1029 D N 1.106 121.528 120.400 0.037 0.000 2.123 1029 D HA -0.123 4.515 4.640 -0.004 0.000 0.196 1029 D C 0.875 177.195 176.300 0.033 0.000 0.992 1029 D CA 0.736 54.755 54.000 0.031 0.000 0.833 1029 D CB -0.170 40.644 40.800 0.024 0.000 0.954 1029 D HN 0.035 nan 8.370 nan 0.000 0.455 1030 I N 2.378 122.971 120.570 0.038 0.000 2.826 1030 I HA -0.143 4.025 4.170 -0.004 0.000 0.295 1030 I C 1.445 177.587 176.117 0.041 0.000 1.213 1030 I CA 0.554 61.877 61.300 0.037 0.000 1.436 1030 I CB 0.171 38.199 38.000 0.048 0.000 1.348 1030 I HN -0.068 nan 8.210 nan 0.000 0.570 1031 R N 4.299 124.817 120.500 0.030 0.000 2.417 1031 R HA 0.252 4.590 4.340 -0.004 0.000 0.189 1031 R C 0.007 176.322 176.300 0.025 0.000 1.249 1031 R CA -0.748 55.371 56.100 0.031 0.000 1.171 1031 R CB -0.280 30.033 30.300 0.021 0.000 2.071 1031 R HN 0.559 nan 8.270 nan 0.000 0.537 1032 E N 1.211 121.420 120.200 0.014 0.000 2.415 1032 E HA 0.105 4.452 4.350 -0.004 0.000 0.263 1032 E C -1.024 175.562 176.600 -0.023 0.000 0.995 1032 E CA -0.008 56.389 56.400 -0.005 0.000 0.915 1032 E CB 0.601 30.296 29.700 -0.009 0.000 0.951 1032 E HN 0.065 nan 8.360 nan 0.000 0.449 1033 V N 7.064 126.949 119.914 -0.049 0.000 2.378 1033 V HA 0.248 4.365 4.120 -0.004 0.000 0.288 1033 V C 0.073 176.086 176.094 -0.136 0.000 1.016 1033 V CA -0.631 61.633 62.300 -0.060 0.000 0.840 1033 V CB 1.321 33.137 31.823 -0.011 0.000 0.994 1033 V HN 0.646 nan 8.190 nan 0.000 0.431 1034 I N 4.378 124.880 120.570 -0.113 0.000 2.347 1034 I HA 0.277 4.445 4.170 -0.004 0.000 0.294 1034 I C 1.196 177.218 176.117 -0.159 0.000 1.090 1034 I CA 0.156 61.371 61.300 -0.142 0.000 1.314 1034 I CB 1.123 39.070 38.000 -0.088 0.000 1.423 1034 I HN 0.731 nan 8.210 nan 0.000 0.503 1035 A N 4.925 127.557 122.820 -0.313 0.000 2.348 1035 A HA 0.044 4.362 4.320 -0.004 0.000 0.224 1035 A C 1.249 178.916 177.584 0.138 0.000 1.227 1035 A CA -0.067 51.860 52.037 -0.184 0.000 0.885 1035 A CB -0.378 18.131 19.000 -0.818 0.000 0.933 1035 A HN 0.800 nan 8.150 nan 0.000 0.506 1036 N N 0.158 118.925 118.700 0.111 0.000 2.322 1036 N HA 0.258 4.996 4.740 -0.004 0.000 0.216 1036 N C 0.685 176.278 175.510 0.139 0.000 1.144 1036 N CA 0.446 53.672 53.050 0.293 0.000 0.830 1036 N CB -0.234 38.442 38.487 0.315 0.000 1.034 1036 N HN 0.168 nan 8.380 nan 0.000 0.484 1037 G N -0.359 108.469 108.800 0.047 0.000 2.588 1037 G HA2 0.120 4.078 3.960 -0.004 0.000 0.278 1037 G HA3 0.120 4.078 3.960 -0.004 0.000 0.278 1037 G C -0.516 174.380 174.900 -0.006 0.000 1.307 1037 G CA -0.655 44.437 45.100 -0.015 0.000 1.016 1037 G HN 0.323 nan 8.290 nan 0.000 0.503 1038 E N -1.065 119.118 120.200 -0.030 0.000 2.392 1038 E HA 0.146 4.494 4.350 -0.004 0.000 0.264 1038 E C -0.166 176.393 176.600 -0.068 0.000 1.024 1038 E CA 0.163 56.557 56.400 -0.010 0.000 0.903 1038 E CB 0.614 30.309 29.700 -0.009 0.000 0.963 1038 E HN 0.185 nan 8.360 nan 0.000 0.432 1039 I N 5.087 125.656 120.570 -0.002 0.000 2.312 1039 I HA 0.206 4.374 4.170 -0.004 0.000 0.290 1039 I C -0.390 175.714 176.117 -0.022 0.000 1.008 1039 I CA -0.645 60.605 61.300 -0.082 0.000 1.226 1039 I CB 0.845 38.896 38.000 0.085 0.000 1.371 1039 I HN 0.274 nan 8.210 nan 0.000 0.468 1040 I N 6.862 127.345 120.570 -0.145 0.000 2.330 1040 I HA 0.283 4.450 4.170 -0.004 0.000 0.289 1040 I C -0.485 175.566 176.117 -0.109 0.000 1.001 1040 I CA -0.441 60.836 61.300 -0.039 0.000 1.193 1040 I CB 0.785 38.746 38.000 -0.065 0.000 1.345 1040 I HN 0.325 nan 8.210 nan 0.000 0.461 1041 F N 6.380 126.300 119.950 -0.050 0.000 2.350 1041 F HA 0.518 5.042 4.527 -0.005 0.000 0.365 1041 F C 0.518 176.325 175.800 0.011 0.000 1.122 1041 F CA -0.366 57.618 58.000 -0.027 0.000 1.139 1041 F CB 0.721 39.693 39.000 -0.047 0.000 1.220 1041 F HN 0.366 nan 8.300 nan 0.000 0.499 1042 K N 3.782 124.266 120.400 0.140 0.000 2.610 1042 K HA 0.347 4.664 4.320 -0.004 0.000 0.267 1042 K C -1.754 174.902 176.600 0.095 0.000 0.943 1042 K CA -0.688 55.661 56.287 0.104 0.000 0.862 1042 K CB 1.401 33.929 32.500 0.046 0.000 1.376 1042 K HN 0.509 nan 8.250 nan 0.000 0.412 1043 L N 3.270 124.552 121.223 0.099 0.000 2.433 1043 L HA 0.192 4.530 4.340 -0.004 0.000 0.275 1043 L C -0.372 176.542 176.870 0.073 0.000 1.128 1043 L CA 0.065 54.978 54.840 0.122 0.000 0.875 1043 L CB 0.309 42.393 42.059 0.042 0.000 1.171 1043 L HN 0.574 nan 8.230 nan 0.000 0.463 1044 D N 3.040 123.507 120.400 0.112 0.000 2.469 1044 D HA 0.685 5.323 4.640 -0.004 0.000 0.251 1044 D C -0.144 176.205 176.300 0.083 0.000 1.173 1044 D CA 0.053 54.087 54.000 0.056 0.000 0.882 1044 D CB 1.442 42.254 40.800 0.020 0.000 1.129 1044 D HN 0.673 nan 8.370 nan 0.000 0.549 1045 G N 2.455 111.284 108.800 0.049 0.000 2.327 1045 G HA2 0.178 4.136 3.960 -0.004 0.000 0.291 1045 G HA3 0.178 4.136 3.960 -0.004 0.000 0.291 1045 G C -1.424 173.480 174.900 0.007 0.000 1.290 1045 G CA -0.942 44.190 45.100 0.053 0.000 0.857 1045 G HN 0.326 nan 8.290 nan 0.000 0.520 1046 D N 0.768 121.172 120.400 0.008 0.000 2.483 1046 D HA 0.436 5.074 4.640 -0.004 0.000 0.220 1046 D C 0.977 177.250 176.300 -0.044 0.000 1.173 1046 D CA -0.258 53.734 54.000 -0.013 0.000 0.964 1046 D CB -0.488 40.315 40.800 0.005 0.000 1.046 1046 D HN 0.627 nan 8.370 nan 0.000 0.517 1047 I N -1.390 119.120 120.570 -0.100 0.000 2.947 1047 I HA 0.537 4.705 4.170 -0.004 0.000 0.314 1047 I C 0.121 176.169 176.117 -0.115 0.000 1.028 1047 I CA -1.082 60.110 61.300 -0.181 0.000 1.077 1047 I CB 1.495 39.280 38.000 -0.357 0.000 1.274 1047 I HN -0.039 nan 8.210 nan 0.000 0.485 1048 D N 1.773 122.104 120.400 -0.116 0.000 2.304 1048 D HA 0.172 4.810 4.640 -0.004 0.000 0.247 1048 D C 0.905 177.168 176.300 -0.061 0.000 1.089 1048 D CA -0.206 53.756 54.000 -0.063 0.000 0.910 1048 D CB 1.519 42.293 40.800 -0.043 0.000 1.199 1048 D HN 0.565 nan 8.370 nan 0.000 0.426 1049 R N 0.560 121.040 120.500 -0.033 0.000 2.159 1049 R HA -0.122 4.216 4.340 -0.004 0.000 0.237 1049 R C 1.809 178.110 176.300 0.002 0.000 1.131 1049 R CA 1.600 57.689 56.100 -0.019 0.000 0.982 1049 R CB -0.319 29.976 30.300 -0.009 0.000 0.868 1049 R HN 0.530 nan 8.270 nan 0.000 0.453 1050 T N -2.442 112.118 114.554 0.010 0.000 3.100 1050 T HA -0.037 4.311 4.350 -0.004 0.000 0.253 1050 T C 0.839 175.588 174.700 0.082 0.000 1.118 1050 T CA -0.207 61.930 62.100 0.062 0.000 1.058 1050 T CB 0.129 69.030 68.868 0.055 0.000 0.953 1050 T HN -0.021 nan 8.240 nan 0.000 0.515 1051 Q N 1.821 121.603 119.800 -0.031 0.000 2.330 1051 Q HA 0.453 4.791 4.340 -0.004 0.000 0.279 1051 Q C -0.590 175.407 176.000 -0.005 0.000 1.024 1051 Q CA -0.119 55.606 55.803 -0.131 0.000 0.900 1051 Q CB -0.024 28.550 28.738 -0.274 0.000 1.221 1051 Q HN 0.617 nan 8.270 nan 0.000 0.396 1052 F N 1.503 121.411 119.950 -0.070 0.000 2.741 1052 F HA 0.764 5.288 4.527 -0.004 0.000 0.313 1052 F C -1.708 174.075 175.800 -0.029 0.000 1.153 1052 F CA -1.340 56.608 58.000 -0.086 0.000 0.931 1052 F CB 1.149 40.062 39.000 -0.144 0.000 1.335 1052 F HN 0.299 nan 8.300 nan 0.000 0.460 1053 I N 1.205 121.915 120.570 0.234 0.000 2.692 1053 I HA 0.218 4.386 4.170 -0.004 0.000 0.293 1053 I C -1.831 174.337 176.117 0.086 0.000 1.200 1053 I CA -0.888 60.514 61.300 0.170 0.000 1.036 1053 I CB 1.898 39.999 38.000 0.168 0.000 1.258 1053 I HN 0.843 nan 8.210 nan 0.000 0.421 1054 W N 6.282 127.604 121.300 0.036 0.000 2.551 1054 W HA 0.740 5.397 4.660 -0.004 0.000 0.330 1054 W C 0.151 176.590 176.519 -0.133 0.000 1.063 1054 W CA -0.441 56.855 57.345 -0.082 0.000 1.222 1054 W CB 1.832 31.151 29.460 -0.234 0.000 1.349 1054 W HN 0.327 nan 8.180 nan 0.000 0.536 1055 M N 3.037 122.678 119.600 0.068 0.000 2.631 1055 M HA 0.533 5.011 4.480 -0.004 0.000 0.288 1055 M C -1.413 174.934 176.300 0.079 0.000 1.260 1055 M CA -0.766 54.545 55.300 0.019 0.000 0.842 1055 M CB 2.394 34.707 32.600 -0.478 0.000 1.743 1055 M HN 0.400 nan 8.290 nan 0.000 0.461 1056 K N 1.704 122.323 120.400 0.366 0.000 2.572 1056 K HA 0.293 4.611 4.320 -0.004 0.000 0.263 1056 K C -1.591 175.317 176.600 0.513 0.000 0.932 1056 K CA -0.506 55.910 56.287 0.214 0.000 0.838 1056 K CB 1.215 33.533 32.500 -0.302 0.000 1.366 1056 K HN 0.840 nan 8.250 nan 0.000 0.425 1057 Y N 1.380 121.951 120.300 0.450 0.000 3.234 1057 Y HA -0.287 4.261 4.550 -0.002 0.000 0.207 1057 Y C -0.576 175.684 175.900 0.600 0.000 1.316 1057 Y CA -0.030 58.352 58.100 0.470 0.000 1.309 1057 Y CB -1.223 37.500 38.460 0.438 0.000 1.408 1057 Y HN 0.502 nan 8.280 nan 0.000 0.544 1058 F N 2.609 122.961 119.950 0.671 0.000 2.504 1058 F HA 0.415 4.942 4.527 -0.001 0.000 0.369 1058 F C 0.497 176.597 175.800 0.499 0.000 1.082 1058 F CA 0.337 58.725 58.000 0.645 0.000 1.216 1058 F CB 0.581 39.983 39.000 0.670 0.000 1.108 1058 F HN 0.084 nan 8.300 nan 0.000 0.554 1059 S N 6.135 121.729 115.700 -0.177 0.000 2.579 1059 S HA 0.789 5.257 4.470 -0.004 0.000 0.272 1059 S C -1.108 173.359 174.600 -0.223 0.000 1.141 1059 S CA -0.992 57.152 58.200 -0.095 0.000 0.843 1059 S CB 1.698 64.918 63.200 0.034 0.000 1.122 1059 S HN 0.564 nan 8.310 nan 0.000 0.468 1060 I N 1.316 121.825 120.570 -0.103 0.000 2.545 1060 I HA 0.555 4.723 4.170 -0.004 0.000 0.292 1060 I C -1.526 174.566 176.117 -0.042 0.000 1.040 1060 I CA -0.672 60.639 61.300 0.018 0.000 1.068 1060 I CB 1.799 39.871 38.000 0.120 0.000 1.251 1060 I HN 0.552 nan 8.210 nan 0.000 0.424 1061 F N 2.975 122.896 119.950 -0.048 0.000 2.508 1061 F HA 0.304 4.828 4.527 -0.005 0.000 0.325 1061 F C 0.722 176.530 175.800 0.012 0.000 1.090 1061 F CA -1.009 56.966 58.000 -0.043 0.000 0.945 1061 F CB 1.289 40.253 39.000 -0.060 0.000 1.156 1061 F HN 0.474 nan 8.300 nan 0.000 0.463 1062 N N -0.001 118.780 118.700 0.135 0.000 2.466 1062 N HA 0.140 4.878 4.740 -0.004 0.000 0.251 1062 N C -0.407 175.229 175.510 0.209 0.000 1.164 1062 N CA -0.008 53.126 53.050 0.140 0.000 0.888 1062 N CB 0.529 38.987 38.487 -0.047 0.000 1.177 1062 N HN 0.554 nan 8.380 nan 0.000 0.498 1063 T N -1.333 113.346 114.554 0.208 0.000 2.802 1063 T HA 0.182 4.530 4.350 -0.004 0.000 0.311 1063 T C -1.959 172.761 174.700 0.032 0.000 1.405 1063 T CA -0.819 61.355 62.100 0.123 0.000 1.016 1063 T CB 1.420 70.350 68.868 0.103 0.000 1.352 1063 T HN 0.259 nan 8.240 nan 0.000 0.498 1064 E N 3.075 123.267 120.200 -0.014 0.000 2.223 1064 E HA 0.346 4.694 4.350 -0.004 0.000 0.282 1064 E C -0.478 176.021 176.600 -0.168 0.000 1.046 1064 E CA -0.372 55.967 56.400 -0.101 0.000 0.857 1064 E CB 0.396 30.065 29.700 -0.053 0.000 1.055 1064 E HN 0.486 nan 8.360 nan 0.000 0.409 1065 L N 3.831 124.870 121.223 -0.307 0.000 2.397 1065 L HA 0.120 4.458 4.340 -0.004 0.000 0.271 1065 L C 0.723 177.397 176.870 -0.327 0.000 1.148 1065 L CA -0.346 54.260 54.840 -0.390 0.000 0.825 1065 L CB 1.125 42.819 42.059 -0.608 0.000 1.117 1065 L HN 0.623 nan 8.230 nan 0.000 0.456 1066 S N 1.434 116.978 115.700 -0.261 0.000 2.652 1066 S HA 0.075 4.542 4.470 -0.004 0.000 0.270 1066 S C 0.668 175.100 174.600 -0.280 0.000 1.243 1066 S CA -0.655 57.425 58.200 -0.201 0.000 0.999 1066 S CB 1.605 64.732 63.200 -0.122 0.000 0.973 1066 S HN 0.676 nan 8.310 nan 0.000 0.544 1067 Q N 0.960 120.642 119.800 -0.197 0.000 2.135 1067 Q HA -0.142 4.196 4.340 -0.004 0.000 0.204 1067 Q C 2.089 177.999 176.000 -0.150 0.000 0.981 1067 Q CA 2.140 57.832 55.803 -0.185 0.000 0.856 1067 Q CB -0.771 27.985 28.738 0.030 0.000 0.902 1067 Q HN 0.844 nan 8.270 nan 0.000 0.425 1068 S N 0.283 115.919 115.700 -0.107 0.000 2.383 1068 S HA -0.076 4.392 4.470 -0.004 0.000 0.227 1068 S C 1.558 176.103 174.600 -0.093 0.000 1.026 1068 S CA 1.024 59.179 58.200 -0.075 0.000 0.981 1068 S CB -0.046 63.121 63.200 -0.055 0.000 0.818 1068 S HN 0.439 nan 8.310 nan 0.000 0.472 1069 N N 1.540 120.156 118.700 -0.142 0.000 2.120 1069 N HA 0.004 4.742 4.740 -0.004 0.000 0.188 1069 N C 1.784 177.204 175.510 -0.151 0.000 1.024 1069 N CA 1.464 54.422 53.050 -0.152 0.000 0.852 1069 N CB -0.498 37.854 38.487 -0.225 0.000 1.003 1069 N HN 0.470 nan 8.380 nan 0.000 0.424 1070 I N 1.042 121.475 120.570 -0.229 0.000 2.179 1070 I HA -0.228 3.940 4.170 -0.004 0.000 0.242 1070 I C 2.450 178.578 176.117 0.018 0.000 1.088 1070 I CA 1.043 62.236 61.300 -0.178 0.000 1.357 1070 I CB -0.208 37.498 38.000 -0.489 0.000 1.051 1070 I HN 0.059 nan 8.210 nan 0.000 0.409 1071 E N 1.456 121.648 120.200 -0.014 0.000 2.058 1071 E HA -0.297 4.051 4.350 -0.004 0.000 0.194 1071 E C 2.016 178.679 176.600 0.104 0.000 0.997 1071 E CA 1.768 58.221 56.400 0.087 0.000 0.801 1071 E CB -0.173 29.554 29.700 0.045 0.000 0.746 1071 E HN 0.433 nan 8.360 nan 0.000 0.450 1072 E N -0.162 120.055 120.200 0.028 0.000 2.077 1072 E HA -0.246 4.102 4.350 -0.004 0.000 0.193 1072 E C 2.280 178.885 176.600 0.008 0.000 0.989 1072 E CA 1.094 57.498 56.400 0.007 0.000 0.800 1072 E CB -0.115 29.573 29.700 -0.019 0.000 0.746 1072 E HN 0.150 nan 8.360 nan 0.000 0.452 1073 R N -0.681 119.835 120.500 0.026 0.000 2.081 1073 R HA -0.196 4.142 4.340 -0.004 0.000 0.235 1073 R C 2.389 178.638 176.300 -0.086 0.000 1.131 1073 R CA 1.552 57.663 56.100 0.018 0.000 0.960 1073 R CB -0.411 29.958 30.300 0.115 0.000 0.856 1073 R HN 0.272 nan 8.270 nan 0.000 0.436 1074 Y N 1.489 121.655 120.300 -0.224 0.000 2.128 1074 Y HA -0.217 4.329 4.550 -0.005 0.000 0.284 1074 Y C 1.650 177.520 175.900 -0.051 0.000 1.154 1074 Y CA 1.792 59.687 58.100 -0.342 0.000 1.149 1074 Y CB -0.082 38.332 38.460 -0.077 0.000 0.976 1074 Y HN -0.038 nan 8.280 nan 0.000 0.505 1075 K N -0.035 120.288 120.400 -0.128 0.000 2.025 1075 K HA -0.129 4.189 4.320 -0.004 0.000 0.207 1075 K C 2.147 178.680 176.600 -0.111 0.000 1.049 1075 K CA 1.905 58.083 56.287 -0.182 0.000 0.933 1075 K CB -0.308 32.149 32.500 -0.071 0.000 0.714 1075 K HN 0.351 nan 8.250 nan 0.000 0.438 1076 I N 1.444 121.970 120.570 -0.073 0.000 2.179 1076 I HA -0.306 3.862 4.170 -0.004 0.000 0.242 1076 I C 2.192 178.284 176.117 -0.042 0.000 1.088 1076 I CA 1.475 62.740 61.300 -0.058 0.000 1.357 1076 I CB -0.237 37.727 38.000 -0.061 0.000 1.051 1076 I HN 0.217 nan 8.210 nan 0.000 0.409 1077 Q N -0.167 119.608 119.800 -0.041 0.000 2.472 1077 Q HA -0.043 4.295 4.340 -0.004 0.000 0.208 1077 Q C 2.139 178.047 176.000 -0.154 0.000 0.958 1077 Q CA 0.758 56.551 55.803 -0.016 0.000 0.932 1077 Q CB 0.140 28.980 28.738 0.171 0.000 1.007 1077 Q HN 0.403 nan 8.270 nan 0.000 0.508 1078 S N -0.226 115.395 115.700 -0.132 0.000 2.458 1078 S HA -0.028 4.440 4.470 -0.004 0.000 0.223 1078 S C 0.201 174.676 174.600 -0.208 0.000 1.019 1078 S CA -0.221 57.849 58.200 -0.217 0.000 0.937 1078 S CB -0.036 63.006 63.200 -0.263 0.000 0.788 1078 S HN 0.380 nan 8.310 nan 0.000 0.511 1079 Y N 3.882 124.044 120.300 -0.231 0.000 2.712 1079 Y HA 0.253 4.802 4.550 -0.002 0.000 0.333 1079 Y C 0.359 176.077 175.900 -0.305 0.000 1.225 1079 Y CA 0.001 57.962 58.100 -0.233 0.000 1.499 1079 Y CB 0.267 38.614 38.460 -0.188 0.000 1.288 1079 Y HN 0.164 nan 8.280 nan 0.000 0.575 1080 S N 3.479 118.293 115.700 -1.476 0.000 2.567 1080 S HA 0.311 4.779 4.470 -0.004 0.000 0.270 1080 S C -0.282 173.543 174.600 -1.292 0.000 1.152 1080 S CA -0.974 56.435 58.200 -1.319 0.000 0.835 1080 S CB 1.626 63.953 63.200 -1.455 0.000 1.115 1080 S HN 0.637 nan 8.310 nan 0.000 0.459 1081 E N 0.078 119.743 120.200 -0.891 0.000 2.299 1081 E HA 0.104 4.452 4.350 -0.004 0.000 0.193 1081 E C 0.213 176.597 176.600 -0.360 0.000 0.998 1081 E CA 0.825 56.947 56.400 -0.464 0.000 0.851 1081 E CB -0.170 29.414 29.700 -0.193 0.000 0.795 1081 E HN 0.771 nan 8.360 nan 0.000 0.492 1082 Y N -0.707 119.451 120.300 -0.237 0.000 2.432 1082 Y HA 0.573 5.121 4.550 -0.003 0.000 0.322 1082 Y C 0.383 176.157 175.900 -0.210 0.000 1.246 1082 Y CA -1.461 56.520 58.100 -0.199 0.000 1.268 1082 Y CB 0.098 38.456 38.460 -0.171 0.000 1.276 1082 Y HN -0.324 nan 8.280 nan 0.000 0.499 1083 L N 1.657 122.925 121.223 0.075 0.000 2.454 1083 L HA 0.468 4.806 4.340 -0.004 0.000 0.256 1083 L C 0.001 176.922 176.870 0.086 0.000 1.136 1083 L CA -0.684 54.163 54.840 0.012 0.000 0.804 1083 L CB 0.762 42.789 42.059 -0.053 0.000 1.181 1083 L HN 0.686 nan 8.230 nan 0.000 0.469 1084 K N -0.394 120.028 120.400 0.037 0.000 2.352 1084 K HA 0.402 4.720 4.320 -0.004 0.000 0.240 1084 K C -1.328 175.236 176.600 -0.061 0.000 1.017 1084 K CA -0.939 55.332 56.287 -0.025 0.000 0.851 1084 K CB 1.497 33.950 32.500 -0.078 0.000 1.261 1084 K HN 0.604 nan 8.250 nan 0.000 0.451 1085 D N -0.512 119.819 120.400 -0.114 0.000 2.529 1085 D HA 0.034 4.672 4.640 -0.004 0.000 0.273 1085 D C 0.736 176.965 176.300 -0.119 0.000 1.197 1085 D CA -0.592 53.354 54.000 -0.089 0.000 1.070 1085 D CB 0.103 40.890 40.800 -0.022 0.000 1.134 1085 D HN 0.419 nan 8.370 nan 0.000 0.590 1086 F N -0.504 119.252 119.950 -0.324 0.000 2.154 1086 F HA -0.082 4.443 4.527 -0.003 0.000 0.301 1086 F C 1.492 177.060 175.800 -0.387 0.000 1.087 1086 F CA 1.321 59.041 58.000 -0.467 0.000 1.274 1086 F CB -0.109 38.358 39.000 -0.888 0.000 1.009 1086 F HN 0.389 nan 8.300 nan 0.000 0.485 1087 W N -0.448 120.888 121.300 0.060 0.000 2.678 1087 W HA 0.248 4.905 4.660 -0.004 0.000 0.256 1087 W C 1.906 178.333 176.519 -0.154 0.000 1.280 1087 W CA 0.518 57.863 57.345 -0.001 0.000 1.345 1087 W CB -0.272 29.242 29.460 0.091 0.000 1.118 1087 W HN 0.212 nan 8.180 nan 0.000 0.629 1088 G N -0.369 108.196 108.800 -0.391 0.000 2.179 1088 G HA2 -0.254 3.704 3.960 -0.004 0.000 0.220 1088 G HA3 -0.254 3.704 3.960 -0.004 0.000 0.220 1088 G C 0.121 174.871 174.900 -0.249 0.000 0.990 1088 G CA -0.476 44.100 45.100 -0.872 0.000 0.646 1088 G HN 0.118 nan 8.290 nan 0.000 0.517 1089 N N 1.322 120.011 118.700 -0.017 0.000 2.445 1089 N HA 0.470 5.208 4.740 -0.004 0.000 0.264 1089 N C -2.663 172.771 175.510 -0.126 0.000 1.227 1089 N CA -1.323 51.702 53.050 -0.042 0.000 0.963 1089 N CB 0.614 39.133 38.487 0.054 0.000 1.188 1089 N HN 0.026 nan 8.380 nan 0.000 0.491 1090 P HA 0.008 nan 4.420 nan 0.000 0.265 1090 P C -0.111 177.057 177.300 -0.220 0.000 1.193 1090 P CA -0.240 62.613 63.100 -0.412 0.000 0.765 1090 P CB 0.452 31.646 31.700 -0.844 0.000 0.823 1091 L N 4.709 125.825 121.223 -0.180 0.000 2.416 1091 L HA 0.240 4.577 4.340 -0.004 0.000 0.272 1091 L C -0.184 176.585 176.870 -0.169 0.000 1.161 1091 L CA 0.969 55.715 54.840 -0.156 0.000 0.845 1091 L CB -0.173 41.740 42.059 -0.244 0.000 1.119 1091 L HN 0.276 nan 8.230 nan 0.000 0.464 1092 M N 4.395 123.986 119.600 -0.015 0.000 2.602 1092 M HA 0.328 4.806 4.480 -0.004 0.000 0.312 1092 M C -0.717 175.510 176.300 -0.122 0.000 1.181 1092 M CA -0.468 54.782 55.300 -0.085 0.000 0.910 1092 M CB 1.513 34.095 32.600 -0.030 0.000 1.723 1092 M HN 0.383 nan 8.290 nan 0.000 0.459 1093 Y N 1.206 121.492 120.300 -0.024 0.000 2.298 1093 Y HA 0.179 4.727 4.550 -0.004 0.000 0.329 1093 Y C 1.026 176.903 175.900 -0.039 0.000 1.293 1093 Y CA 0.324 58.408 58.100 -0.026 0.000 1.388 1093 Y CB 0.561 39.005 38.460 -0.027 0.000 1.309 1093 Y HN 0.755 nan 8.280 nan 0.000 0.544 1094 N N 0.611 119.409 118.700 0.163 0.000 2.721 1094 N HA -0.256 4.482 4.740 -0.004 0.000 0.249 1094 N C -0.782 174.717 175.510 -0.019 0.000 1.072 1094 N CA 0.938 54.035 53.050 0.077 0.000 0.710 1094 N CB -0.938 37.595 38.487 0.077 0.000 0.993 1094 N HN 0.558 nan 8.380 nan 0.000 0.547 1095 K N 0.991 121.307 120.400 -0.141 0.000 2.426 1095 K HA 0.230 4.548 4.320 -0.004 0.000 0.254 1095 K C -0.463 175.830 176.600 -0.512 0.000 0.936 1095 K CA -0.488 55.584 56.287 -0.359 0.000 0.801 1095 K CB 1.435 33.606 32.500 -0.547 0.000 1.139 1095 K HN 0.026 nan 8.250 nan 0.000 0.424 1096 E N 3.163 123.185 120.200 -0.296 0.000 2.417 1096 E HA -0.004 4.344 4.350 -0.004 0.000 0.261 1096 E C -1.029 175.400 176.600 -0.284 0.000 1.000 1096 E CA 0.619 56.915 56.400 -0.174 0.000 0.919 1096 E CB 0.449 30.088 29.700 -0.102 0.000 0.955 1096 E HN 0.396 nan 8.360 nan 0.000 0.455 1097 Y N 1.310 121.642 120.300 0.053 0.000 2.457 1097 Y HA 0.263 4.811 4.550 -0.003 0.000 0.343 1097 Y C -0.625 175.351 175.900 0.127 0.000 0.994 1097 Y CA -1.186 56.995 58.100 0.135 0.000 1.031 1097 Y CB 1.334 39.996 38.460 0.336 0.000 1.246 1097 Y HN 0.439 nan 8.280 nan 0.000 0.449 1098 Y N 2.188 122.746 120.300 0.431 0.000 2.335 1098 Y HA 0.492 5.039 4.550 -0.004 0.000 0.323 1098 Y C 0.136 176.163 175.900 0.212 0.000 1.224 1098 Y CA -0.669 57.626 58.100 0.325 0.000 1.241 1098 Y CB 1.057 39.637 38.460 0.200 0.000 1.235 1098 Y HN 0.357 nan 8.280 nan 0.000 0.492 1099 M N 2.915 122.685 119.600 0.285 0.000 2.336 1099 M HA 0.324 4.801 4.480 -0.004 0.000 0.342 1099 M C -1.380 175.024 176.300 0.172 0.000 1.128 1099 M CA -0.558 54.736 55.300 -0.009 0.000 1.016 1099 M CB 1.414 33.745 32.600 -0.449 0.000 1.665 1099 M HN 0.581 nan 8.290 nan 0.000 0.445 1100 F N 3.122 123.061 119.950 -0.017 0.000 2.532 1100 F HA 0.506 5.030 4.527 -0.004 0.000 0.321 1100 F C -0.817 175.000 175.800 0.028 0.000 1.089 1100 F CA -0.723 57.275 58.000 -0.004 0.000 0.926 1100 F CB 1.229 40.178 39.000 -0.085 0.000 1.168 1100 F HN 0.481 nan 8.300 nan 0.000 0.459 1101 N N 4.074 122.204 118.700 -0.950 0.000 2.443 1101 N HA 0.349 5.086 4.740 -0.004 0.000 0.269 1101 N C 0.186 174.952 175.510 -1.241 0.000 0.985 1101 N CA 0.182 52.578 53.050 -1.090 0.000 0.921 1101 N CB 2.055 39.917 38.487 -1.042 0.000 1.195 1101 N HN 0.884 nan 8.380 nan 0.000 0.492 1102 A N 2.767 125.080 122.820 -0.845 0.000 2.070 1102 A HA -0.006 4.312 4.320 -0.004 0.000 0.220 1102 A C 1.675 179.063 177.584 -0.326 0.000 1.159 1102 A CA 1.759 53.525 52.037 -0.452 0.000 0.656 1102 A CB -0.358 18.572 19.000 -0.117 0.000 0.800 1102 A HN 0.699 nan 8.150 nan 0.000 0.453 1103 G N -1.225 107.350 108.800 -0.375 0.000 2.744 1103 G HA2 0.134 4.092 3.960 -0.004 0.000 0.211 1103 G HA3 0.134 4.092 3.960 -0.004 0.000 0.211 1103 G C 0.202 174.972 174.900 -0.217 0.000 1.146 1103 G CA 0.263 45.223 45.100 -0.232 0.000 0.787 1103 G HN 0.528 nan 8.290 nan 0.000 0.534 1104 N N -0.143 118.367 118.700 -0.317 0.000 2.703 1104 N HA 0.238 4.976 4.740 -0.004 0.000 0.283 1104 N C 0.863 176.212 175.510 -0.268 0.000 1.851 1104 N CA -0.353 52.558 53.050 -0.232 0.000 0.826 1104 N CB 1.213 39.577 38.487 -0.205 0.000 1.239 1104 N HN 0.017 nan 8.380 nan 0.000 0.495 1105 K N 0.175 120.441 120.400 -0.223 0.000 2.097 1105 K HA -0.171 4.147 4.320 -0.004 0.000 0.214 1105 K C 0.521 177.166 176.600 0.075 0.000 1.052 1105 K CA 1.309 57.544 56.287 -0.087 0.000 0.932 1105 K CB -0.009 32.572 32.500 0.134 0.000 0.716 1105 K HN 0.312 nan 8.250 nan 0.000 0.455 1106 N N 0.384 119.119 118.700 0.058 0.000 2.370 1106 N HA 0.031 4.769 4.740 -0.004 0.000 0.198 1106 N C -0.560 175.005 175.510 0.092 0.000 1.156 1106 N CA 0.244 53.355 53.050 0.101 0.000 0.839 1106 N CB 0.600 39.139 38.487 0.088 0.000 0.989 1106 N HN 0.010 nan 8.380 nan 0.000 0.468 1107 S N 0.340 116.061 115.700 0.034 0.000 2.638 1107 S HA 0.610 5.078 4.470 -0.004 0.000 0.298 1107 S C -0.579 174.090 174.600 0.116 0.000 1.111 1107 S CA -0.690 57.517 58.200 0.012 0.000 1.027 1107 S CB 1.252 64.412 63.200 -0.067 0.000 1.064 1107 S HN 0.378 nan 8.310 nan 0.000 0.525 1108 Y N -1.160 119.145 120.300 0.008 0.000 2.597 1108 Y HA 0.751 5.299 4.550 -0.004 0.000 0.340 1108 Y C -1.483 174.423 175.900 0.009 0.000 1.097 1108 Y CA -1.448 56.672 58.100 0.033 0.000 1.037 1108 Y CB 0.443 38.932 38.460 0.049 0.000 1.305 1108 Y HN 0.496 nan 8.280 nan 0.000 0.463 1109 I N 3.126 123.795 120.570 0.165 0.000 2.396 1109 I HA 0.458 4.626 4.170 -0.004 0.000 0.292 1109 I C -0.356 175.802 176.117 0.069 0.000 0.999 1109 I CA -0.684 60.602 61.300 -0.022 0.000 1.310 1109 I CB 1.568 39.426 38.000 -0.237 0.000 1.404 1109 I HN 0.647 nan 8.210 nan 0.000 0.496 1110 K N 5.811 126.181 120.400 -0.050 0.000 2.513 1110 K HA 0.370 4.688 4.320 -0.004 0.000 0.251 1110 K C -1.345 175.217 176.600 -0.064 0.000 0.939 1110 K CA -0.936 55.346 56.287 -0.009 0.000 0.793 1110 K CB 2.073 34.608 32.500 0.059 0.000 1.241 1110 K HN 0.440 nan 8.250 nan 0.000 0.431 1111 L N 4.071 125.246 121.223 -0.081 0.000 2.534 1111 L HA 0.120 4.457 4.340 -0.004 0.000 0.271 1111 L C -0.086 176.788 176.870 0.006 0.000 1.178 1111 L CA 0.770 55.591 54.840 -0.032 0.000 0.907 1111 L CB 0.108 42.167 42.059 0.000 0.000 1.164 1111 L HN 0.578 nan 8.230 nan 0.000 0.482 1112 K N 4.507 124.929 120.400 0.037 0.000 2.412 1112 K HA -0.028 4.290 4.320 -0.004 0.000 0.281 1112 K C 1.141 177.769 176.600 0.046 0.000 1.027 1112 K CA 0.154 56.464 56.287 0.038 0.000 0.989 1112 K CB 0.720 33.269 32.500 0.081 0.000 0.935 1112 K HN 0.783 nan 8.250 nan 0.000 0.475 1113 K N 2.703 123.120 120.400 0.028 0.000 2.034 1113 K HA -0.231 4.087 4.320 -0.004 0.000 0.214 1113 K C 0.676 177.304 176.600 0.048 0.000 1.051 1113 K CA 2.567 58.872 56.287 0.030 0.000 0.931 1113 K CB 0.007 32.518 32.500 0.018 0.000 0.715 1113 K HN 0.794 nan 8.250 nan 0.000 0.446 1114 D N -0.806 119.625 120.400 0.050 0.000 2.340 1114 D HA 0.018 4.656 4.640 -0.004 0.000 0.217 1114 D C -0.438 175.904 176.300 0.070 0.000 1.081 1114 D CA -0.342 53.692 54.000 0.057 0.000 0.842 1114 D CB 0.514 41.341 40.800 0.045 0.000 0.934 1114 D HN 0.114 nan 8.370 nan 0.000 0.511 1115 S N -0.856 114.893 115.700 0.082 0.000 2.556 1115 S HA 0.477 4.945 4.470 -0.004 0.000 0.271 1115 S C -2.778 171.880 174.600 0.096 0.000 1.135 1115 S CA -1.351 56.901 58.200 0.087 0.000 0.858 1115 S CB 1.892 65.139 63.200 0.078 0.000 1.114 1115 S HN -0.102 nan 8.310 nan 0.000 0.468 1116 P HA 0.187 nan 4.420 nan 0.000 0.249 1116 P C -0.062 177.236 177.300 -0.004 0.000 1.686 1116 P CA 0.041 63.099 63.100 -0.070 0.000 0.873 1116 P CB -0.692 30.757 31.700 -0.419 0.000 1.828 1117 V N -3.607 116.374 119.914 0.113 0.000 3.102 1117 V HA 0.938 5.056 4.120 -0.004 0.000 0.312 1117 V C -0.087 176.130 176.094 0.205 0.000 1.135 1117 V CA -1.179 61.233 62.300 0.187 0.000 1.022 1117 V CB 1.759 33.712 31.823 0.218 0.000 1.056 1117 V HN 0.081 nan 8.190 nan 0.000 0.436 1118 G N 1.751 110.720 108.800 0.282 0.000 2.377 1118 G HA2 0.579 4.537 3.960 -0.004 0.000 0.316 1118 G HA3 0.579 4.537 3.960 -0.004 0.000 0.316 1118 G C -0.266 174.706 174.900 0.119 0.000 1.115 1118 G CA -0.343 44.866 45.100 0.182 0.000 0.952 1118 G HN 1.064 nan 8.290 nan 0.000 0.441 1119 E N 2.228 122.385 120.200 -0.072 0.000 2.349 1119 E HA 0.374 4.722 4.350 -0.004 0.000 0.265 1119 E C -0.584 175.848 176.600 -0.280 0.000 1.064 1119 E CA -0.789 55.398 56.400 -0.354 0.000 0.886 1119 E CB 1.476 30.971 29.700 -0.342 0.000 1.036 1119 E HN 0.108 nan 8.360 nan 0.000 0.413 1120 I N 3.264 123.636 120.570 -0.331 0.000 2.328 1120 I HA 0.260 4.428 4.170 -0.004 0.000 0.287 1120 I C -0.006 175.904 176.117 -0.346 0.000 1.012 1120 I CA -0.537 60.607 61.300 -0.259 0.000 1.195 1120 I CB 0.280 38.209 38.000 -0.118 0.000 1.350 1120 I HN 0.559 nan 8.210 nan 0.000 0.464 1121 L N 4.793 125.668 121.223 -0.579 0.000 2.331 1121 L HA 0.548 4.886 4.340 -0.004 0.000 0.268 1121 L C 0.525 177.108 176.870 -0.478 0.000 1.015 1121 L CA -0.775 53.702 54.840 -0.605 0.000 0.807 1121 L CB 1.600 43.166 42.059 -0.821 0.000 1.293 1121 L HN 0.423 nan 8.230 nan 0.000 0.451 1122 T N 0.860 115.307 114.554 -0.178 0.000 2.780 1122 T HA 0.285 4.633 4.350 -0.004 0.000 0.294 1122 T C 0.179 175.028 174.700 0.248 0.000 0.949 1122 T CA -0.534 61.580 62.100 0.024 0.000 1.074 1122 T CB 0.443 69.327 68.868 0.027 0.000 0.910 1122 T HN 0.374 nan 8.240 nan 0.000 0.501 1123 R N 2.376 123.062 120.500 0.311 0.000 2.585 1123 R HA 0.168 4.505 4.340 -0.004 0.000 0.275 1123 R C 1.040 177.443 176.300 0.172 0.000 1.018 1123 R CA -0.200 56.079 56.100 0.298 0.000 1.072 1123 R CB 0.267 30.688 30.300 0.201 0.000 0.953 1123 R HN 0.773 nan 8.270 nan 0.000 0.419 1124 S N 2.617 118.388 115.700 0.120 0.000 2.606 1124 S HA 0.214 4.682 4.470 -0.004 0.000 0.257 1124 S C 0.044 174.685 174.600 0.069 0.000 1.327 1124 S CA -0.545 57.701 58.200 0.077 0.000 0.984 1124 S CB 0.849 64.077 63.200 0.047 0.000 0.941 1124 S HN 0.672 nan 8.310 nan 0.000 0.576 1125 K N -0.968 119.450 120.400 0.029 0.000 2.439 1125 K HA 0.396 4.714 4.320 -0.004 0.000 0.260 1125 K C -1.316 175.219 176.600 -0.108 0.000 1.032 1125 K CA -1.086 55.191 56.287 -0.016 0.000 0.882 1125 K CB 0.515 33.008 32.500 -0.011 0.000 1.420 1125 K HN 0.519 nan 8.250 nan 0.000 0.455 1126 Y N 2.215 122.224 120.300 -0.485 0.000 2.802 1126 Y HA -0.060 4.488 4.550 -0.003 0.000 0.333 1126 Y C 0.082 175.853 175.900 -0.214 0.000 1.244 1126 Y CA 0.479 58.248 58.100 -0.552 0.000 1.558 1126 Y CB 0.144 38.075 38.460 -0.882 0.000 1.233 1126 Y HN 0.641 nan 8.280 nan 0.000 0.547 1127 N N 3.874 122.216 118.700 -0.596 0.000 2.415 1127 N HA -0.027 4.711 4.740 -0.004 0.000 0.174 1127 N C 0.139 175.272 175.510 -0.628 0.000 1.048 1127 N CA 0.368 53.127 53.050 -0.486 0.000 0.895 1127 N CB 0.059 38.407 38.487 -0.232 0.000 1.036 1127 N HN 0.741 nan 8.380 nan 0.000 0.449 1128 Q N 0.975 120.205 119.800 -0.950 0.000 2.722 1128 Q HA 0.009 4.347 4.340 -0.004 0.000 0.214 1128 Q C 0.537 176.278 176.000 -0.432 0.000 1.109 1128 Q CA 0.259 55.729 55.803 -0.555 0.000 1.066 1128 Q CB 0.229 28.824 28.738 -0.239 0.000 1.290 1128 Q HN 0.331 nan 8.270 nan 0.000 0.620 1129 N N -1.237 117.398 118.700 -0.108 0.000 2.276 1129 N HA 0.030 4.768 4.740 -0.004 0.000 0.212 1129 N C -0.501 175.072 175.510 0.106 0.000 1.127 1129 N CA -0.161 52.883 53.050 -0.011 0.000 0.834 1129 N CB 0.651 39.129 38.487 -0.014 0.000 1.014 1129 N HN 0.208 nan 8.380 nan 0.000 0.491 1130 S N 0.659 116.519 115.700 0.266 0.000 2.562 1130 S HA 0.046 4.513 4.470 -0.004 0.000 0.281 1130 S C 1.233 175.929 174.600 0.160 0.000 1.333 1130 S CA -0.512 57.834 58.200 0.242 0.000 1.052 1130 S CB 0.602 63.958 63.200 0.259 0.000 0.884 1130 S HN 0.581 nan 8.310 nan 0.000 0.506 1131 K N 3.256 123.669 120.400 0.022 0.000 2.361 1131 K HA 0.032 4.349 4.320 -0.004 0.000 0.196 1131 K C 0.807 177.283 176.600 -0.207 0.000 1.039 1131 K CA 0.881 57.087 56.287 -0.136 0.000 1.001 1131 K CB -0.220 32.106 32.500 -0.289 0.000 0.795 1131 K HN 0.673 nan 8.250 nan 0.000 0.495 1132 Y N 2.336 122.604 120.300 -0.053 0.000 2.475 1132 Y HA 0.195 4.743 4.550 -0.004 0.000 0.289 1132 Y C 1.248 177.042 175.900 -0.177 0.000 1.121 1132 Y CA -0.238 57.799 58.100 -0.104 0.000 1.257 1132 Y CB 0.058 38.439 38.460 -0.130 0.000 1.026 1132 Y HN 0.127 nan 8.280 nan 0.000 0.555 1133 I N -2.104 118.410 120.570 -0.094 0.000 2.785 1133 I HA 0.521 4.689 4.170 -0.004 0.000 0.302 1133 I C -0.880 175.126 176.117 -0.185 0.000 1.069 1133 I CA -1.111 60.035 61.300 -0.257 0.000 1.045 1133 I CB 2.530 40.134 38.000 -0.660 0.000 1.236 1133 I HN -0.075 nan 8.210 nan 0.000 0.429 1134 N N 2.970 121.644 118.700 -0.043 0.000 2.636 1134 N HA 0.487 5.224 4.740 -0.004 0.000 0.261 1134 N C -2.162 173.467 175.510 0.198 0.000 1.195 1134 N CA -0.222 52.852 53.050 0.041 0.000 0.902 1134 N CB 2.881 41.429 38.487 0.102 0.000 1.627 1134 N HN 0.862 nan 8.380 nan 0.000 0.491 1135 Y N -0.736 119.703 120.300 0.232 0.000 2.732 1135 Y HA 0.528 5.076 4.550 -0.004 0.000 0.342 1135 Y C -1.849 174.200 175.900 0.249 0.000 1.203 1135 Y CA -1.119 57.142 58.100 0.267 0.000 1.092 1135 Y CB 0.503 39.174 38.460 0.352 0.000 1.345 1135 Y HN 0.299 nan 8.280 nan 0.000 0.458 1136 R N 1.634 122.404 120.500 0.450 0.000 2.474 1136 R HA 0.314 4.652 4.340 -0.004 0.000 0.295 1136 R C -1.147 175.391 176.300 0.396 0.000 0.980 1136 R CA -0.849 55.432 56.100 0.302 0.000 0.934 1136 R CB 1.216 31.637 30.300 0.201 0.000 1.101 1136 R HN 0.793 nan 8.270 nan 0.000 0.469 1137 D N 2.409 122.975 120.400 0.276 0.000 2.443 1137 D HA -0.001 4.637 4.640 -0.004 0.000 0.239 1137 D C 1.212 177.468 176.300 -0.073 0.000 1.136 1137 D CA 0.292 54.397 54.000 0.175 0.000 0.879 1137 D CB 1.121 41.968 40.800 0.080 0.000 1.195 1137 D HN 0.365 nan 8.370 nan 0.000 0.443 1138 L N 1.131 122.177 121.223 -0.294 0.000 2.537 1138 L HA 0.035 4.373 4.340 -0.004 0.000 0.224 1138 L C 0.399 176.950 176.870 -0.532 0.000 1.065 1138 L CA 0.122 54.637 54.840 -0.542 0.000 0.860 1138 L CB 0.140 41.601 42.059 -0.996 0.000 1.086 1138 L HN 0.317 nan 8.230 nan 0.000 0.482 1139 Y N 1.873 121.860 120.300 -0.521 0.000 2.667 1139 Y HA 0.477 5.025 4.550 -0.004 0.000 0.340 1139 Y C 0.002 175.305 175.900 -0.995 0.000 1.303 1139 Y CA -0.913 56.494 58.100 -1.156 0.000 1.769 1139 Y CB -0.344 37.801 38.460 -0.524 0.000 1.804 1139 Y HN -0.002 nan 8.280 nan 0.000 0.451 1140 I N -0.291 119.833 120.570 -0.743 0.000 2.913 1140 I HA 0.812 4.979 4.170 -0.004 0.000 0.302 1140 I C 0.162 176.150 176.117 -0.216 0.000 1.246 1140 I CA -0.212 60.821 61.300 -0.445 0.000 1.010 1140 I CB 2.171 39.797 38.000 -0.623 0.000 1.259 1140 I HN 0.507 nan 8.210 nan 0.000 0.434 1141 G N 4.488 113.200 108.800 -0.147 0.000 2.685 1141 G HA2 -0.103 3.855 3.960 -0.004 0.000 0.387 1141 G HA3 -0.103 3.855 3.960 -0.004 0.000 0.387 1141 G C -1.002 174.044 174.900 0.243 0.000 1.324 1141 G CA -0.694 44.522 45.100 0.192 0.000 0.878 1141 G HN 0.705 nan 8.290 nan 0.000 0.527 1142 E N 0.535 120.806 120.200 0.119 0.000 2.418 1142 E HA 0.253 4.601 4.350 -0.004 0.000 0.261 1142 E C 0.399 176.945 176.600 -0.090 0.000 1.070 1142 E CA 0.282 56.618 56.400 -0.107 0.000 0.931 1142 E CB 0.492 29.838 29.700 -0.591 0.000 0.954 1142 E HN 0.482 nan 8.360 nan 0.000 0.439 1143 K N 2.330 122.658 120.400 -0.120 0.000 2.268 1143 K HA 0.277 4.594 4.320 -0.004 0.000 0.276 1143 K C -0.466 176.095 176.600 -0.065 0.000 1.080 1143 K CA -0.238 55.968 56.287 -0.135 0.000 0.910 1143 K CB 0.332 32.786 32.500 -0.077 0.000 1.163 1143 K HN 0.205 nan 8.250 nan 0.000 0.465 1144 F N 2.357 122.365 119.950 0.096 0.000 2.370 1144 F HA 0.506 5.032 4.527 -0.003 0.000 0.319 1144 F C 0.423 176.290 175.800 0.112 0.000 1.129 1144 F CA -0.894 57.196 58.000 0.150 0.000 1.109 1144 F CB 0.738 39.873 39.000 0.227 0.000 1.262 1144 F HN 0.327 nan 8.300 nan 0.000 0.534 1145 I N 1.925 122.644 120.570 0.249 0.000 2.649 1145 I HA 0.360 4.528 4.170 -0.004 0.000 0.289 1145 I C -1.407 174.791 176.117 0.134 0.000 1.222 1145 I CA -0.415 60.962 61.300 0.129 0.000 1.046 1145 I CB 1.197 39.210 38.000 0.022 0.000 1.272 1145 I HN 0.372 nan 8.210 nan 0.000 0.425 1146 I N 7.111 127.749 120.570 0.113 0.000 2.371 1146 I HA 0.402 4.569 4.170 -0.004 0.000 0.290 1146 I C -0.171 176.105 176.117 0.264 0.000 1.028 1146 I CA -0.648 60.717 61.300 0.109 0.000 1.345 1146 I CB 0.561 38.497 38.000 -0.106 0.000 1.407 1146 I HN 0.368 nan 8.210 nan 0.000 0.501 1147 R N 5.637 126.307 120.500 0.283 0.000 2.589 1147 R HA 0.469 4.806 4.340 -0.004 0.000 0.293 1147 R C -0.298 176.093 176.300 0.152 0.000 0.963 1147 R CA -0.974 55.276 56.100 0.250 0.000 0.905 1147 R CB 1.672 32.117 30.300 0.241 0.000 1.144 1147 R HN 0.615 nan 8.270 nan 0.000 0.459 1148 R N 1.328 121.700 120.500 -0.214 0.000 2.594 1148 R HA 0.009 4.347 4.340 -0.004 0.000 0.272 1148 R C 0.826 176.979 176.300 -0.245 0.000 1.074 1148 R CA -0.017 55.787 56.100 -0.494 0.000 1.105 1148 R CB 0.725 30.514 30.300 -0.851 0.000 1.008 1148 R HN 0.454 nan 8.270 nan 0.000 0.472 1149 K N 1.181 121.413 120.400 -0.280 0.000 2.108 1149 K HA 0.125 4.443 4.320 -0.004 0.000 0.204 1149 K C 0.104 176.625 176.600 -0.133 0.000 1.036 1149 K CA 0.907 56.999 56.287 -0.325 0.000 0.965 1149 K CB 0.048 32.324 32.500 -0.373 0.000 0.804 1149 K HN 0.505 nan 8.250 nan 0.000 0.454 1150 S N 1.877 117.517 115.700 -0.100 0.000 2.641 1150 S HA 0.076 4.543 4.470 -0.004 0.000 0.261 1150 S C -1.052 173.515 174.600 -0.054 0.000 1.257 1150 S CA -0.091 58.076 58.200 -0.055 0.000 0.983 1150 S CB 0.054 63.236 63.200 -0.030 0.000 0.990 1150 S HN 0.637 nan 8.310 nan 0.000 0.572 1151 N N 0.822 119.504 118.700 -0.030 0.000 2.596 1151 N HA -0.200 4.537 4.740 -0.004 0.000 0.299 1151 N C -0.189 175.304 175.510 -0.028 0.000 1.361 1151 N CA 0.832 53.867 53.050 -0.024 0.000 0.708 1151 N CB -0.734 37.739 38.487 -0.024 0.000 1.039 1151 N HN 0.669 nan 8.380 nan 0.000 0.496 1152 S N -0.468 115.226 115.700 -0.010 0.000 3.844 1152 S HA 0.184 4.652 4.470 -0.004 0.000 0.193 1152 S C 1.346 175.940 174.600 -0.010 0.000 1.255 1152 S CA 0.400 58.597 58.200 -0.005 0.000 1.028 1152 S CB -0.190 63.015 63.200 0.009 0.000 1.436 1152 S HN 0.964 nan 8.310 nan 0.000 0.442 1153 Q N 0.747 120.532 119.800 -0.025 0.000 2.291 1153 Q HA 0.494 4.831 4.340 -0.004 0.000 0.211 1153 Q C 0.702 176.691 176.000 -0.020 0.000 0.925 1153 Q CA 0.273 56.063 55.803 -0.022 0.000 0.949 1153 Q CB -1.176 27.543 28.738 -0.032 0.000 1.015 1153 Q HN 0.880 nan 8.270 nan 0.000 0.477 1154 S N -1.270 114.422 115.700 -0.014 0.000 3.918 1154 S HA -0.178 4.290 4.470 -0.004 0.000 0.653 1154 S C 0.322 174.915 174.600 -0.011 0.000 1.661 1154 S CA 0.298 58.495 58.200 -0.005 0.000 1.805 1154 S CB -1.130 62.070 63.200 0.000 0.000 0.331 1154 S HN 1.459 nan 8.310 nan 0.000 1.611 1155 I N -1.322 119.250 120.570 0.005 0.000 2.661 1155 I HA 0.584 4.752 4.170 -0.004 0.000 0.292 1155 I C 0.683 176.812 176.117 0.020 0.000 1.189 1155 I CA -0.118 61.190 61.300 0.013 0.000 1.123 1155 I CB -0.407 37.614 38.000 0.034 0.000 1.709 1155 I HN 0.645 nan 8.210 nan 0.000 0.566 1156 N N 3.342 122.048 118.700 0.011 0.000 2.335 1156 N HA 0.110 4.848 4.740 -0.004 0.000 0.197 1156 N C 0.412 175.935 175.510 0.022 0.000 1.045 1156 N CA 1.050 54.108 53.050 0.013 0.000 0.928 1156 N CB 0.066 38.557 38.487 0.006 0.000 1.118 1156 N HN 0.677 nan 8.380 nan 0.000 0.471 1157 D N -2.437 117.981 120.400 0.029 0.000 2.898 1157 D HA 0.316 4.954 4.640 -0.004 0.000 0.254 1157 D C -2.434 173.905 176.300 0.066 0.000 1.107 1157 D CA -0.409 53.623 54.000 0.053 0.000 0.729 1157 D CB 1.712 42.524 40.800 0.020 0.000 1.734 1157 D HN 0.362 nan 8.370 nan 0.000 0.452 1158 D N 0.392 120.869 120.400 0.129 0.000 2.769 1158 D HA 0.360 4.998 4.640 -0.004 0.000 0.309 1158 D C -0.871 175.523 176.300 0.155 0.000 1.315 1158 D CA -0.369 53.713 54.000 0.137 0.000 0.780 1158 D CB 1.589 42.478 40.800 0.148 0.000 1.312 1158 D HN 0.303 nan 8.370 nan 0.000 0.437 1159 I N 1.422 122.044 120.570 0.087 0.000 2.342 1159 I HA 0.226 4.394 4.170 -0.004 0.000 0.291 1159 I C 0.297 176.405 176.117 -0.015 0.000 1.010 1159 I CA -0.811 60.463 61.300 -0.044 0.000 1.308 1159 I CB 1.505 39.434 38.000 -0.118 0.000 1.400 1159 I HN 0.034 nan 8.210 nan 0.000 0.488 1160 V N 7.545 127.291 119.914 -0.280 0.000 2.455 1160 V HA 0.250 4.367 4.120 -0.004 0.000 0.273 1160 V C 0.546 176.573 176.094 -0.111 0.000 1.045 1160 V CA -0.348 61.718 62.300 -0.391 0.000 0.976 1160 V CB 0.157 31.572 31.823 -0.680 0.000 0.993 1160 V HN 0.696 nan 8.190 nan 0.000 0.475 1161 R N 3.248 123.737 120.500 -0.019 0.000 2.643 1161 R HA 0.491 4.828 4.340 -0.004 0.000 0.272 1161 R C -0.255 175.995 176.300 -0.083 0.000 0.995 1161 R CA -1.053 55.037 56.100 -0.017 0.000 1.032 1161 R CB 1.618 31.927 30.300 0.015 0.000 1.126 1161 R HN 0.596 nan 8.270 nan 0.000 0.505 1162 K N 2.253 122.585 120.400 -0.113 0.000 2.489 1162 K HA -0.083 4.235 4.320 -0.004 0.000 0.278 1162 K C 0.007 176.507 176.600 -0.166 0.000 1.000 1162 K CA 0.397 56.590 56.287 -0.156 0.000 1.012 1162 K CB 0.319 32.717 32.500 -0.170 0.000 0.903 1162 K HN 0.601 nan 8.250 nan 0.000 0.485 1163 E N -0.194 119.871 120.200 -0.225 0.000 4.129 1163 E HA -0.180 4.168 4.350 -0.004 0.000 0.354 1163 E C -0.710 175.652 176.600 -0.396 0.000 0.673 1163 E CA 0.931 57.156 56.400 -0.292 0.000 1.347 1163 E CB -1.153 28.423 29.700 -0.207 0.000 1.722 1163 E HN 0.709 nan 8.360 nan 0.000 0.410 1164 D N -0.025 120.215 120.400 -0.267 0.000 2.399 1164 D HA 0.147 4.785 4.640 -0.004 0.000 0.241 1164 D C 0.159 176.245 176.300 -0.358 0.000 1.133 1164 D CA 0.413 54.291 54.000 -0.204 0.000 0.890 1164 D CB 0.175 40.980 40.800 0.009 0.000 1.201 1164 D HN 0.002 nan 8.370 nan 0.000 0.432 1165 Y N 1.122 121.391 120.300 -0.052 0.000 2.326 1165 Y HA 0.365 4.913 4.550 -0.003 0.000 0.337 1165 Y C 0.757 176.570 175.900 -0.145 0.000 1.023 1165 Y CA -0.597 57.437 58.100 -0.110 0.000 1.143 1165 Y CB 0.721 39.104 38.460 -0.128 0.000 1.183 1165 Y HN 0.179 nan 8.280 nan 0.000 0.485 1166 I N -0.911 119.634 120.570 -0.042 0.000 3.264 1166 I HA 0.601 4.769 4.170 -0.004 0.000 0.315 1166 I C -1.909 174.127 176.117 -0.136 0.000 1.154 1166 I CA -1.408 59.849 61.300 -0.072 0.000 0.962 1166 I CB 2.839 40.876 38.000 0.063 0.000 1.265 1166 I HN 0.412 nan 8.210 nan 0.000 0.463 1167 Y N 2.019 122.363 120.300 0.074 0.000 2.341 1167 Y HA 0.563 5.111 4.550 -0.003 0.000 0.338 1167 Y C -0.669 175.263 175.900 0.053 0.000 0.965 1167 Y CA -1.048 57.078 58.100 0.042 0.000 1.108 1167 Y CB 2.311 40.793 38.460 0.036 0.000 1.180 1167 Y HN 0.393 nan 8.280 nan 0.000 0.458 1168 L N 5.039 126.393 121.223 0.218 0.000 2.264 1168 L HA 0.470 4.808 4.340 -0.004 0.000 0.287 1168 L C -1.056 175.987 176.870 0.288 0.000 1.039 1168 L CA -0.005 54.972 54.840 0.229 0.000 0.829 1168 L CB -0.127 42.050 42.059 0.197 0.000 1.211 1168 L HN 0.566 nan 8.230 nan 0.000 0.427 1169 D N 3.986 124.546 120.400 0.266 0.000 2.506 1169 D HA 0.715 5.353 4.640 -0.004 0.000 0.254 1169 D C -0.940 175.498 176.300 0.230 0.000 1.089 1169 D CA 0.246 54.350 54.000 0.174 0.000 1.050 1169 D CB 1.537 42.296 40.800 -0.069 0.000 1.221 1169 D HN 0.329 nan 8.370 nan 0.000 0.589 1170 F N -1.931 117.835 119.950 -0.307 0.000 2.719 1170 F HA 0.572 5.097 4.527 -0.004 0.000 0.309 1170 F C -1.959 173.480 175.800 -0.601 0.000 1.138 1170 F CA -1.414 56.251 58.000 -0.560 0.000 0.943 1170 F CB 0.458 38.956 39.000 -0.836 0.000 1.304 1170 F HN 0.026 nan 8.300 nan 0.000 0.445 1171 F N 2.287 122.108 119.950 -0.216 0.000 2.411 1171 F HA 0.394 4.918 4.527 -0.004 0.000 0.355 1171 F C 0.329 175.909 175.800 -0.366 0.000 1.117 1171 F CA -0.449 57.372 58.000 -0.299 0.000 1.139 1171 F CB 0.989 39.886 39.000 -0.171 0.000 1.120 1171 F HN 0.572 nan 8.300 nan 0.000 0.493 1172 N N 5.642 124.064 118.700 -0.464 0.000 2.707 1172 N HA 0.488 5.226 4.740 -0.004 0.000 0.235 1172 N C 0.101 175.410 175.510 -0.335 0.000 1.028 1172 N CA 0.026 52.716 53.050 -0.600 0.000 0.906 1172 N CB 0.059 37.633 38.487 -1.521 0.000 1.131 1172 N HN 0.740 nan 8.380 nan 0.000 0.509 1173 L N 0.854 121.982 121.223 -0.159 0.000 6.267 1173 L HA -0.429 3.909 4.340 -0.004 0.000 0.053 1173 L C 0.747 177.582 176.870 -0.058 0.000 2.435 1173 L CA 1.329 56.112 54.840 -0.095 0.000 1.548 1173 L CB -1.027 40.973 42.059 -0.097 0.000 2.870 1173 L HN 0.487 nan 8.230 nan 0.000 1.048 1174 N N 0.718 119.394 118.700 -0.040 0.000 2.313 1174 N HA 0.122 4.859 4.740 -0.004 0.000 0.207 1174 N C -0.445 175.091 175.510 0.043 0.000 1.141 1174 N CA 0.361 53.403 53.050 -0.013 0.000 0.830 1174 N CB 0.278 38.757 38.487 -0.012 0.000 1.008 1174 N HN 0.297 nan 8.380 nan 0.000 0.481 1175 Q N -0.343 119.491 119.800 0.056 0.000 2.433 1175 Q HA 0.275 4.613 4.340 -0.004 0.000 0.279 1175 Q C -1.254 174.820 176.000 0.123 0.000 1.105 1175 Q CA -0.812 55.064 55.803 0.122 0.000 0.815 1175 Q CB 2.223 31.083 28.738 0.204 0.000 1.403 1175 Q HN 0.195 nan 8.270 nan 0.000 0.435 1176 E N 1.216 121.490 120.200 0.123 0.000 2.134 1176 E HA 0.246 4.594 4.350 -0.004 0.000 0.278 1176 E C -1.345 175.253 176.600 -0.002 0.000 0.959 1176 E CA -0.436 55.898 56.400 -0.108 0.000 0.783 1176 E CB 0.778 30.401 29.700 -0.128 0.000 1.095 1176 E HN 0.331 nan 8.360 nan 0.000 0.399 1177 W N 2.703 123.590 121.300 -0.688 0.000 2.594 1177 W HA 0.530 5.188 4.660 -0.004 0.000 0.365 1177 W C 0.153 176.395 176.519 -0.462 0.000 1.196 1177 W CA -0.811 56.143 57.345 -0.653 0.000 1.258 1177 W CB 0.959 29.774 29.460 -1.075 0.000 1.405 1177 W HN 0.456 nan 8.180 nan 0.000 0.640 1178 R N 0.028 120.511 120.500 -0.028 0.000 2.837 1178 R HA 0.694 5.032 4.340 -0.004 0.000 0.271 1178 R C -1.764 174.498 176.300 -0.063 0.000 0.993 1178 R CA -0.687 55.330 56.100 -0.138 0.000 0.931 1178 R CB 1.849 31.826 30.300 -0.539 0.000 1.206 1178 R HN 0.241 nan 8.270 nan 0.000 0.474 1179 V N 4.178 124.082 119.914 -0.016 0.000 2.364 1179 V HA 0.383 4.501 4.120 -0.004 0.000 0.272 1179 V C -1.013 175.120 176.094 0.065 0.000 1.036 1179 V CA -0.181 62.223 62.300 0.174 0.000 0.880 1179 V CB 0.675 32.706 31.823 0.348 0.000 0.991 1179 V HN 0.603 nan 8.190 nan 0.000 0.460 1180 Y N 1.788 122.297 120.300 0.347 0.000 2.598 1180 Y HA 0.654 5.201 4.550 -0.004 0.000 0.340 1180 Y C 0.532 176.560 175.900 0.213 0.000 1.038 1180 Y CA -0.967 57.340 58.100 0.345 0.000 1.100 1180 Y CB 2.212 40.812 38.460 0.233 0.000 1.281 1180 Y HN 0.412 nan 8.280 nan 0.000 0.488 1181 T N 1.446 116.164 114.554 0.273 0.000 2.847 1181 T HA 0.148 4.496 4.350 -0.004 0.000 0.291 1181 T C -1.403 173.425 174.700 0.213 0.000 0.998 1181 T CA -0.599 61.485 62.100 -0.027 0.000 0.967 1181 T CB -0.030 68.419 68.868 -0.698 0.000 0.954 1181 T HN 0.408 nan 8.240 nan 0.000 0.441 1182 Y N 3.920 124.273 120.300 0.088 0.000 2.729 1182 Y HA 0.063 4.611 4.550 -0.004 0.000 0.331 1182 Y C 1.419 177.132 175.900 -0.312 0.000 1.208 1182 Y CA -0.325 57.575 58.100 -0.333 0.000 1.521 1182 Y CB 0.459 38.750 38.460 -0.282 0.000 1.233 1182 Y HN 0.611 nan 8.280 nan 0.000 0.539 1183 K N 4.204 123.902 120.400 -1.170 0.000 2.103 1183 K HA -0.192 4.126 4.320 -0.004 0.000 0.207 1183 K C -0.110 175.809 176.600 -1.135 0.000 1.048 1183 K CA 1.611 57.100 56.287 -1.330 0.000 0.930 1183 K CB -0.180 31.169 32.500 -1.920 0.000 0.716 1183 K HN 0.628 nan 8.250 nan 0.000 0.444 1184 Y N 1.048 120.681 120.300 -1.110 0.000 2.928 1184 Y HA 0.170 4.718 4.550 -0.004 0.000 0.390 1184 Y C -0.223 175.564 175.900 -0.188 0.000 1.101 1184 Y CA -1.479 56.255 58.100 -0.610 0.000 1.777 1184 Y CB -0.917 37.223 38.460 -0.533 0.000 1.720 1184 Y HN -0.051 nan 8.280 nan 0.000 0.484 1185 F N -1.391 118.496 119.950 -0.106 0.000 2.422 1185 F HA 0.640 5.165 4.527 -0.004 0.000 0.333 1185 F C 0.451 176.280 175.800 0.049 0.000 1.095 1185 F CA -1.710 56.331 58.000 0.069 0.000 1.038 1185 F CB 1.300 40.364 39.000 0.107 0.000 1.156 1185 F HN -0.110 nan 8.300 nan 0.000 0.483 1186 K N 1.470 121.887 120.400 0.028 0.000 2.370 1186 K HA 0.182 4.500 4.320 -0.004 0.000 0.194 1186 K C 0.227 176.824 176.600 -0.006 0.000 1.070 1186 K CA -0.112 56.129 56.287 -0.076 0.000 0.998 1186 K CB 0.280 32.777 32.500 -0.005 0.000 0.911 1186 K HN 0.563 nan 8.250 nan 0.000 0.533 1187 K N 1.276 121.769 120.400 0.156 0.000 2.156 1187 K HA -0.038 4.280 4.320 -0.004 0.000 0.242 1187 K C 1.021 177.738 176.600 0.196 0.000 1.033 1187 K CA -0.022 56.361 56.287 0.161 0.000 0.878 1187 K CB 0.440 33.049 32.500 0.182 0.000 1.057 1187 K HN -0.129 nan 8.250 nan 0.000 0.505 1188 E N 1.015 121.287 120.200 0.120 0.000 2.106 1188 E HA -0.158 4.189 4.350 -0.004 0.000 0.192 1188 E C 0.063 176.786 176.600 0.205 0.000 0.984 1188 E CA 1.381 57.853 56.400 0.119 0.000 0.806 1188 E CB 0.297 30.014 29.700 0.028 0.000 0.750 1188 E HN 0.512 nan 8.360 nan 0.000 0.458 1189 E N -0.496 119.775 120.200 0.117 0.000 2.459 1189 E HA 0.352 4.700 4.350 -0.004 0.000 0.275 1189 E C -0.752 175.829 176.600 -0.033 0.000 0.987 1189 E CA -0.830 55.588 56.400 0.030 0.000 0.828 1189 E CB 1.148 30.729 29.700 -0.198 0.000 1.428 1189 E HN 0.186 nan 8.360 nan 0.000 0.457 1190 E N -0.082 120.029 120.200 -0.147 0.000 2.401 1190 E HA 0.412 4.760 4.350 -0.004 0.000 0.280 1190 E C -1.290 175.314 176.600 0.007 0.000 1.039 1190 E CA -0.999 55.345 56.400 -0.093 0.000 0.814 1190 E CB 1.382 30.833 29.700 -0.415 0.000 1.275 1190 E HN 0.320 nan 8.360 nan 0.000 0.448 1191 K N 1.540 121.976 120.400 0.061 0.000 2.326 1191 K HA 0.276 4.594 4.320 -0.004 0.000 0.275 1191 K C 0.001 176.638 176.600 0.060 0.000 1.018 1191 K CA -0.341 55.983 56.287 0.061 0.000 0.962 1191 K CB 0.578 33.018 32.500 -0.099 0.000 0.953 1191 K HN 0.325 nan 8.250 nan 0.000 0.475 1192 L N 2.250 123.520 121.223 0.078 0.000 2.453 1192 L HA 0.222 4.560 4.340 -0.004 0.000 0.261 1192 L C -0.019 177.002 176.870 0.253 0.000 1.179 1192 L CA -0.410 54.483 54.840 0.087 0.000 0.813 1192 L CB 0.157 42.160 42.059 -0.094 0.000 1.110 1192 L HN 0.486 nan 8.230 nan 0.000 0.466 1193 F N 3.064 123.108 119.950 0.157 0.000 2.388 1193 F HA 0.456 4.981 4.527 -0.004 0.000 0.358 1193 F C -0.628 175.320 175.800 0.247 0.000 1.122 1193 F CA -0.581 57.509 58.000 0.150 0.000 1.056 1193 F CB 0.623 39.643 39.000 0.032 0.000 1.155 1193 F HN 0.103 nan 8.300 nan 0.000 0.461 1194 L N 6.930 128.035 121.223 -0.197 0.000 2.287 1194 L HA 0.885 5.223 4.340 -0.004 0.000 0.287 1194 L C -0.261 176.517 176.870 -0.153 0.000 1.022 1194 L CA -0.647 54.270 54.840 0.127 0.000 0.814 1194 L CB 0.937 43.245 42.059 0.415 0.000 1.217 1194 L HN 0.795 nan 8.230 nan 0.000 0.420 1195 A N 4.760 127.499 122.820 -0.135 0.000 2.536 1195 A HA 0.835 5.153 4.320 -0.004 0.000 0.293 1195 A C -2.938 174.029 177.584 -1.029 0.000 1.119 1195 A CA -1.236 50.282 52.037 -0.864 0.000 0.654 1195 A CB 1.391 19.956 19.000 -0.725 0.000 1.291 1195 A HN 0.410 nan 8.150 nan 0.000 0.439 1196 P HA 0.251 nan 4.420 nan 0.000 0.271 1196 P C -0.575 176.527 177.300 -0.329 0.000 1.238 1196 P CA 0.107 62.609 63.100 -0.996 0.000 0.794 1196 P CB 0.225 31.522 31.700 -0.672 0.000 0.959 1197 I N 0.844 121.305 120.570 -0.181 0.000 2.471 1197 I HA 0.197 4.364 4.170 -0.004 0.000 0.286 1197 I C 0.697 176.795 176.117 -0.033 0.000 1.079 1197 I CA 0.970 62.242 61.300 -0.047 0.000 1.398 1197 I CB -0.011 37.937 38.000 -0.086 0.000 1.403 1197 I HN 0.432 nan 8.210 nan 0.000 0.530 1198 S N 3.847 119.571 115.700 0.039 0.000 2.615 1198 S HA 0.316 4.784 4.470 -0.004 0.000 0.268 1198 S C -1.499 173.115 174.600 0.023 0.000 1.146 1198 S CA -1.099 57.093 58.200 -0.013 0.000 0.818 1198 S CB 2.159 65.315 63.200 -0.074 0.000 1.111 1198 S HN 0.577 nan 8.310 nan 0.000 0.465 1199 D N 1.135 121.542 120.400 0.012 0.000 2.453 1199 D HA 0.547 5.185 4.640 -0.004 0.000 0.238 1199 D C -1.001 175.316 176.300 0.029 0.000 1.088 1199 D CA 0.082 54.110 54.000 0.048 0.000 0.854 1199 D CB 1.763 42.597 40.800 0.057 0.000 1.076 1199 D HN 0.534 nan 8.370 nan 0.000 0.533 1200 S N 2.708 118.428 115.700 0.034 0.000 2.537 1200 S HA 0.194 4.661 4.470 -0.004 0.000 0.301 1200 S C 0.802 175.432 174.600 0.049 0.000 1.092 1200 S CA -0.604 57.625 58.200 0.050 0.000 1.048 1200 S CB 1.745 65.013 63.200 0.114 0.000 1.053 1200 S HN 0.377 nan 8.310 nan 0.000 0.501 1201 D N 2.202 122.614 120.400 0.020 0.000 2.269 1201 D HA -0.006 4.632 4.640 -0.004 0.000 0.208 1201 D C 1.044 177.286 176.300 -0.097 0.000 0.963 1201 D CA 0.959 54.955 54.000 -0.007 0.000 0.864 1201 D CB 0.331 41.140 40.800 0.015 0.000 0.936 1201 D HN 0.750 nan 8.370 nan 0.000 0.505 1202 E N -1.303 118.816 120.200 -0.134 0.000 2.474 1202 E HA 0.049 4.397 4.350 -0.004 0.000 0.194 1202 E C -0.318 175.811 176.600 -0.786 0.000 1.041 1202 E CA 0.044 56.211 56.400 -0.390 0.000 0.874 1202 E CB 0.493 30.016 29.700 -0.295 0.000 0.914 1202 E HN 0.130 nan 8.360 nan 0.000 0.498 1203 F N -0.147 119.628 119.950 -0.291 0.000 2.547 1203 F HA 0.314 4.838 4.527 -0.004 0.000 0.316 1203 F C -0.459 175.279 175.800 -0.102 0.000 1.121 1203 F CA -1.250 56.602 58.000 -0.247 0.000 0.911 1203 F CB 0.990 39.858 39.000 -0.219 0.000 1.179 1203 F HN -0.167 nan 8.300 nan 0.000 0.443 1204 Y N 1.826 122.291 120.300 0.276 0.000 2.319 1204 Y HA 0.181 4.729 4.550 -0.003 0.000 0.328 1204 Y C 0.984 177.249 175.900 0.609 0.000 1.133 1204 Y CA -0.648 57.658 58.100 0.343 0.000 1.265 1204 Y CB 0.661 39.288 38.460 0.279 0.000 1.218 1204 Y HN 0.580 nan 8.280 nan 0.000 0.508 1205 N N -1.844 117.311 118.700 0.759 0.000 2.159 1205 N HA 0.093 4.830 4.740 -0.004 0.000 0.217 1205 N C -0.556 175.310 175.510 0.594 0.000 1.223 1205 N CA -0.142 53.323 53.050 0.691 0.000 0.896 1205 N CB 0.439 39.293 38.487 0.611 0.000 1.064 1205 N HN 0.308 nan 8.380 nan 0.000 0.518 1206 T N 1.469 116.324 114.554 0.503 0.000 2.771 1206 T HA 0.510 4.858 4.350 -0.004 0.000 0.281 1206 T C -0.255 174.448 174.700 0.006 0.000 0.982 1206 T CA -0.400 61.846 62.100 0.243 0.000 0.978 1206 T CB 1.104 70.070 68.868 0.163 0.000 0.930 1206 T HN 0.076 nan 8.240 nan 0.000 0.447 1207 I N 2.610 123.105 120.570 -0.125 0.000 2.562 1207 I HA 0.423 4.591 4.170 -0.004 0.000 0.301 1207 I C 0.082 176.131 176.117 -0.113 0.000 1.003 1207 I CA -0.912 60.200 61.300 -0.314 0.000 1.127 1207 I CB 2.136 39.890 38.000 -0.411 0.000 1.304 1207 I HN 0.421 nan 8.210 nan 0.000 0.446 1208 Q N 5.705 125.415 119.800 -0.151 0.000 2.341 1208 Q HA 0.471 4.809 4.340 -0.004 0.000 0.268 1208 Q C -1.084 174.786 176.000 -0.217 0.000 1.013 1208 Q CA -0.670 54.968 55.803 -0.274 0.000 0.798 1208 Q CB 2.021 30.557 28.738 -0.336 0.000 1.253 1208 Q HN 0.647 nan 8.270 nan 0.000 0.457 1209 I N 4.362 124.801 120.570 -0.217 0.000 2.496 1209 I HA 0.182 4.350 4.170 -0.004 0.000 0.285 1209 I C -0.736 175.261 176.117 -0.200 0.000 1.080 1209 I CA 0.072 61.279 61.300 -0.155 0.000 1.404 1209 I CB 0.175 38.091 38.000 -0.139 0.000 1.403 1209 I HN 0.571 nan 8.210 nan 0.000 0.539 1210 K N 5.562 125.848 120.400 -0.190 0.000 2.378 1210 K HA 0.518 4.836 4.320 -0.004 0.000 0.244 1210 K C -1.236 175.178 176.600 -0.310 0.000 1.039 1210 K CA -0.866 55.216 56.287 -0.342 0.000 0.863 1210 K CB 1.593 33.736 32.500 -0.596 0.000 1.326 1210 K HN 0.357 nan 8.250 nan 0.000 0.460 1211 E N 0.620 120.561 120.200 -0.432 0.000 2.642 1211 E HA 0.221 4.569 4.350 -0.004 0.000 0.284 1211 E C -0.995 175.377 176.600 -0.381 0.000 1.039 1211 E CA -0.070 56.142 56.400 -0.314 0.000 0.777 1211 E CB 0.055 29.621 29.700 -0.225 0.000 1.473 1211 E HN 0.498 nan 8.360 nan 0.000 0.388 1212 Y N 0.668 120.828 120.300 -0.234 0.000 2.519 1212 Y HA 0.164 4.711 4.550 -0.004 0.000 0.287 1212 Y C 0.868 176.484 175.900 -0.475 0.000 1.128 1212 Y CA 0.180 58.133 58.100 -0.245 0.000 1.282 1212 Y CB 0.418 38.830 38.460 -0.081 0.000 1.027 1212 Y HN 0.381 nan 8.280 nan 0.000 0.551 1213 D N 0.938 120.948 120.400 -0.648 0.000 2.351 1213 D HA 0.007 4.645 4.640 -0.004 0.000 0.251 1213 D C 0.537 176.690 176.300 -0.244 0.000 1.137 1213 D CA 0.265 53.860 54.000 -0.674 0.000 0.879 1213 D CB 1.007 41.399 40.800 -0.681 0.000 1.181 1213 D HN 0.379 nan 8.370 nan 0.000 0.448 1214 E N 1.621 121.752 120.200 -0.115 0.000 2.318 1214 E HA -0.028 4.320 4.350 -0.004 0.000 0.193 1214 E C 0.273 176.852 176.600 -0.036 0.000 0.998 1214 E CA 0.130 56.500 56.400 -0.050 0.000 0.859 1214 E CB 0.397 30.090 29.700 -0.011 0.000 0.812 1214 E HN 0.470 nan 8.360 nan 0.000 0.492 1215 Q N 0.864 120.647 119.800 -0.027 0.000 2.221 1215 Q HA 0.299 4.636 4.340 -0.004 0.000 0.242 1215 Q C -2.368 173.606 176.000 -0.043 0.000 0.940 1215 Q CA -2.449 53.347 55.803 -0.011 0.000 0.896 1215 Q CB 0.085 28.848 28.738 0.043 0.000 1.226 1215 Q HN -0.082 nan 8.270 nan 0.000 0.463 1216 P HA 0.039 nan 4.420 nan 0.000 0.262 1216 P C -0.534 176.723 177.300 -0.073 0.000 1.182 1216 P CA 0.609 63.639 63.100 -0.115 0.000 0.761 1216 P CB 0.547 32.077 31.700 -0.283 0.000 0.795 1217 T N 2.195 116.694 114.554 -0.092 0.000 2.827 1217 T HA 0.325 4.673 4.350 -0.004 0.000 0.328 1217 T C -0.680 174.026 174.700 0.010 0.000 1.598 1217 T CA -0.316 61.721 62.100 -0.106 0.000 1.043 1217 T CB 0.328 69.183 68.868 -0.020 0.000 1.447 1217 T HN 0.046 nan 8.240 nan 0.000 0.491 1218 Y N 1.067 121.377 120.300 0.017 0.000 2.458 1218 Y HA 0.452 5.000 4.550 -0.003 0.000 0.256 1218 Y C 1.607 177.528 175.900 0.034 0.000 1.159 1218 Y CA -0.655 57.450 58.100 0.007 0.000 1.261 1218 Y CB 0.019 38.459 38.460 -0.034 0.000 1.119 1218 Y HN 0.378 nan 8.280 nan 0.000 0.524 1219 S N 0.601 116.406 115.700 0.176 0.000 2.592 1219 S HA 0.444 4.912 4.470 -0.004 0.000 0.271 1219 S C 0.175 174.848 174.600 0.121 0.000 1.326 1219 S CA -0.489 57.805 58.200 0.157 0.000 1.024 1219 S CB 0.786 64.071 63.200 0.141 0.000 0.921 1219 S HN 0.429 nan 8.310 nan 0.000 0.527 1220 C N 2.015 121.405 119.300 0.149 0.000 3.171 1220 C HA 0.864 5.322 4.460 -0.004 0.000 0.308 1220 C C -1.373 173.729 174.990 0.187 0.000 1.334 1220 C CA -1.005 58.085 59.018 0.120 0.000 1.473 1220 C CB 0.713 28.529 27.740 0.127 0.000 1.866 1220 C HN 0.714 nan 8.230 nan 0.000 0.465 1221 Q N 0.543 120.436 119.800 0.155 0.000 2.399 1221 Q HA 0.838 5.176 4.340 -0.004 0.000 0.276 1221 Q C -1.235 174.862 176.000 0.161 0.000 1.098 1221 Q CA -0.411 55.535 55.803 0.239 0.000 0.827 1221 Q CB 1.760 30.713 28.738 0.357 0.000 1.386 1221 Q HN 0.746 nan 8.270 nan 0.000 0.443 1222 L N 1.882 123.212 121.223 0.177 0.000 2.343 1222 L HA 0.548 4.886 4.340 -0.004 0.000 0.278 1222 L C -1.230 175.685 176.870 0.076 0.000 0.996 1222 L CA -0.848 54.026 54.840 0.056 0.000 0.831 1222 L CB 1.128 43.176 42.059 -0.019 0.000 1.232 1222 L HN 0.382 nan 8.230 nan 0.000 0.413 1223 L N 3.005 124.242 121.223 0.023 0.000 2.317 1223 L HA 0.598 4.936 4.340 -0.004 0.000 0.281 1223 L C -1.231 175.636 176.870 -0.006 0.000 1.024 1223 L CA 0.189 55.086 54.840 0.095 0.000 0.810 1223 L CB 1.314 43.458 42.059 0.141 0.000 1.240 1223 L HN 0.244 nan 8.230 nan 0.000 0.427 1224 F N 4.631 124.646 119.950 0.108 0.000 2.388 1224 F HA 0.509 5.034 4.527 -0.004 0.000 0.358 1224 F C 0.274 176.062 175.800 -0.021 0.000 1.122 1224 F CA -0.358 57.679 58.000 0.062 0.000 1.056 1224 F CB 1.176 40.228 39.000 0.086 0.000 1.155 1224 F HN 0.377 nan 8.300 nan 0.000 0.461 1225 K N 2.746 123.213 120.400 0.112 0.000 2.221 1225 K HA 0.294 4.611 4.320 -0.004 0.000 0.243 1225 K C 0.777 177.250 176.600 -0.211 0.000 0.968 1225 K CA -1.014 55.272 56.287 -0.003 0.000 0.846 1225 K CB 2.356 34.902 32.500 0.077 0.000 1.141 1225 K HN 0.482 nan 8.250 nan 0.000 0.434 1226 K N 0.943 121.209 120.400 -0.224 0.000 2.074 1226 K HA -0.172 4.146 4.320 -0.004 0.000 0.209 1226 K C 0.001 176.554 176.600 -0.079 0.000 1.048 1226 K CA 2.035 58.173 56.287 -0.248 0.000 0.926 1226 K CB 0.169 32.638 32.500 -0.052 0.000 0.713 1226 K HN 0.775 nan 8.250 nan 0.000 0.444 1227 D N -3.084 117.290 120.400 -0.043 0.000 2.683 1227 D HA -0.008 4.630 4.640 -0.004 0.000 0.246 1227 D C -0.220 176.024 176.300 -0.093 0.000 1.238 1227 D CA -0.420 53.556 54.000 -0.041 0.000 0.759 1227 D CB 0.698 41.493 40.800 -0.008 0.000 1.349 1227 D HN -0.190 nan 8.370 nan 0.000 0.426 1228 E N 0.856 120.900 120.200 -0.259 0.000 2.108 1228 E HA -0.256 4.091 4.350 -0.004 0.000 0.203 1228 E C 1.522 178.066 176.600 -0.095 0.000 1.022 1228 E CA 2.557 58.710 56.400 -0.412 0.000 0.823 1228 E CB -0.029 29.227 29.700 -0.739 0.000 0.744 1228 E HN 0.557 nan 8.360 nan 0.000 0.456 1229 E N 0.647 120.803 120.200 -0.073 0.000 2.015 1229 E HA -0.074 4.273 4.350 -0.004 0.000 0.191 1229 E C 1.030 177.637 176.600 0.012 0.000 0.991 1229 E CA 0.844 57.236 56.400 -0.014 0.000 0.802 1229 E CB -0.314 29.377 29.700 -0.017 0.000 0.759 1229 E HN 0.221 nan 8.360 nan 0.000 0.447 1230 S N 0.931 116.635 115.700 0.006 0.000 2.560 1230 S HA -0.040 4.428 4.470 -0.004 0.000 0.276 1230 S C 0.887 175.505 174.600 0.029 0.000 1.350 1230 S CA 0.378 58.588 58.200 0.016 0.000 1.024 1230 S CB 0.760 63.967 63.200 0.012 0.000 0.864 1230 S HN 0.301 nan 8.310 nan 0.000 0.536 1231 T N -2.392 112.179 114.554 0.029 0.000 3.214 1231 T HA 0.237 4.585 4.350 -0.004 0.000 0.264 1231 T C -0.200 174.519 174.700 0.033 0.000 1.012 1231 T CA -0.497 61.626 62.100 0.037 0.000 0.901 1231 T CB -0.313 68.575 68.868 0.033 0.000 1.070 1231 T HN 0.641 nan 8.240 nan 0.000 0.561 1232 D N 2.714 123.127 120.400 0.023 0.000 2.441 1232 D HA 0.124 4.762 4.640 -0.004 0.000 0.221 1232 D C -0.370 175.936 176.300 0.010 0.000 1.156 1232 D CA -0.129 53.879 54.000 0.012 0.000 0.896 1232 D CB 0.657 41.458 40.800 0.002 0.000 1.028 1232 D HN 0.505 nan 8.370 nan 0.000 0.509 1233 E N 4.139 124.361 120.200 0.037 0.000 2.152 1233 E HA 0.081 4.429 4.350 -0.004 0.000 0.285 1233 E C 1.217 177.862 176.600 0.074 0.000 1.043 1233 E CA -0.641 55.800 56.400 0.068 0.000 0.839 1233 E CB 1.645 31.401 29.700 0.094 0.000 1.069 1233 E HN 0.441 nan 8.360 nan 0.000 0.399 1234 I N 1.795 122.418 120.570 0.089 0.000 2.333 1234 I HA 0.061 4.229 4.170 -0.004 0.000 0.246 1234 I C 1.209 177.484 176.117 0.264 0.000 1.106 1234 I CA 1.046 62.435 61.300 0.148 0.000 1.411 1234 I CB -1.256 36.829 38.000 0.141 0.000 1.082 1234 I HN 0.677 nan 8.210 nan 0.000 0.420 1235 G N 0.370 109.341 108.800 0.286 0.000 2.356 1235 G HA2 0.305 4.263 3.960 -0.004 0.000 0.300 1235 G HA3 0.305 4.263 3.960 -0.004 0.000 0.300 1235 G C -1.529 173.592 174.900 0.369 0.000 1.331 1235 G CA -0.881 44.411 45.100 0.320 0.000 0.905 1235 G HN 0.010 nan 8.290 nan 0.000 0.587 1236 L N 0.325 121.787 121.223 0.398 0.000 2.331 1236 L HA 0.591 4.929 4.340 -0.004 0.000 0.275 1236 L C 0.491 177.591 176.870 0.385 0.000 1.022 1236 L CA -1.069 53.989 54.840 0.362 0.000 0.812 1236 L CB 1.845 44.065 42.059 0.269 0.000 1.257 1236 L HN 0.427 nan 8.230 nan 0.000 0.435 1237 I N 1.449 122.210 120.570 0.319 0.000 2.556 1237 I HA 0.345 4.513 4.170 -0.004 0.000 0.284 1237 I C 0.761 177.181 176.117 0.505 0.000 1.114 1237 I CA 0.382 61.870 61.300 0.312 0.000 1.418 1237 I CB 0.776 38.840 38.000 0.107 0.000 1.394 1237 I HN 0.781 nan 8.210 nan 0.000 0.552 1238 G N 6.656 115.790 108.800 0.558 0.000 2.772 1238 G HA2 0.660 4.618 3.960 -0.004 0.000 0.284 1238 G HA3 0.660 4.618 3.960 -0.004 0.000 0.284 1238 G C -1.280 174.013 174.900 0.654 0.000 1.217 1238 G CA -0.545 44.895 45.100 0.568 0.000 0.831 1238 G HN 0.409 nan 8.290 nan 0.000 0.523 1239 I N 0.506 121.373 120.570 0.495 0.000 2.499 1239 I HA 0.418 4.586 4.170 -0.004 0.000 0.288 1239 I C -1.148 175.203 176.117 0.391 0.000 1.048 1239 I CA -0.627 60.930 61.300 0.428 0.000 1.062 1239 I CB 2.365 40.502 38.000 0.229 0.000 1.238 1239 I HN 0.601 nan 8.210 nan 0.000 0.426 1240 H N 5.476 124.738 119.070 0.320 0.000 2.622 1240 H HA 0.511 5.065 4.556 -0.004 0.000 0.363 1240 H C -0.900 174.555 175.328 0.211 0.000 1.151 1240 H CA -0.706 55.433 56.048 0.153 0.000 1.184 1240 H CB 1.935 31.718 29.762 0.035 0.000 1.643 1240 H HN 0.447 nan 8.280 nan 0.000 0.531 1241 R N 4.005 124.155 120.500 -0.583 0.000 2.265 1241 R HA 0.315 4.653 4.340 -0.004 0.000 0.319 1241 R C -1.344 174.826 176.300 -0.217 0.000 1.006 1241 R CA -0.363 55.617 56.100 -0.200 0.000 0.880 1241 R CB 0.261 30.408 30.300 -0.254 0.000 1.077 1241 R HN 0.376 nan 8.270 nan 0.000 0.454 1242 F N 2.903 122.991 119.950 0.230 0.000 2.538 1242 F HA 0.315 4.840 4.527 -0.004 0.000 0.325 1242 F C -0.470 175.547 175.800 0.361 0.000 1.066 1242 F CA -0.895 57.274 58.000 0.281 0.000 0.946 1242 F CB 1.071 40.198 39.000 0.211 0.000 1.199 1242 F HN 0.389 nan 8.300 nan 0.000 0.473 1243 Y N 1.808 122.299 120.300 0.318 0.000 2.330 1243 Y HA 0.480 5.028 4.550 -0.004 0.000 0.336 1243 Y C -0.812 175.101 175.900 0.021 0.000 1.036 1243 Y CA -0.984 57.121 58.100 0.009 0.000 1.125 1243 Y CB 0.907 39.305 38.460 -0.102 0.000 1.194 1243 Y HN 0.604 nan 8.280 nan 0.000 0.469 1244 E N 3.726 123.523 120.200 -0.671 0.000 2.191 1244 E HA 0.349 4.697 4.350 -0.004 0.000 0.263 1244 E C -1.293 174.876 176.600 -0.717 0.000 0.881 1244 E CA -0.801 55.307 56.400 -0.488 0.000 0.757 1244 E CB 1.854 31.450 29.700 -0.173 0.000 1.147 1244 E HN 0.435 nan 8.360 nan 0.000 0.414 1245 S N 2.266 117.666 115.700 -0.500 0.000 2.718 1245 S HA 0.595 5.063 4.470 -0.004 0.000 0.294 1245 S C -0.307 174.224 174.600 -0.116 0.000 1.157 1245 S CA -0.488 57.522 58.200 -0.317 0.000 1.121 1245 S CB 0.632 63.705 63.200 -0.211 0.000 1.015 1245 S HN 0.637 nan 8.310 nan 0.000 0.479 1246 G N 2.455 111.220 108.800 -0.058 0.000 2.887 1246 G HA2 0.479 4.437 3.960 -0.004 0.000 0.277 1246 G HA3 0.479 4.437 3.960 -0.004 0.000 0.277 1246 G C 1.060 175.950 174.900 -0.016 0.000 1.346 1246 G CA -0.652 44.441 45.100 -0.012 0.000 1.058 1246 G HN 0.837 nan 8.290 nan 0.000 0.535 1247 I N -2.095 118.467 120.570 -0.012 0.000 2.454 1247 I HA -0.071 4.097 4.170 -0.004 0.000 0.254 1247 I C 1.381 177.448 176.117 -0.084 0.000 1.156 1247 I CA 1.292 62.571 61.300 -0.034 0.000 1.433 1247 I CB -0.324 37.662 38.000 -0.024 0.000 1.082 1247 I HN 0.142 nan 8.210 nan 0.000 0.432 1248 V N -0.385 119.457 119.914 -0.120 0.000 2.854 1248 V HA 0.244 4.362 4.120 -0.004 0.000 0.236 1248 V C 0.512 176.319 176.094 -0.479 0.000 1.157 1248 V CA 0.350 62.443 62.300 -0.344 0.000 1.187 1248 V CB -0.209 31.310 31.823 -0.506 0.000 0.949 1248 V HN 0.168 nan 8.190 nan 0.000 0.488 1249 F N 0.875 120.804 119.950 -0.036 0.000 2.422 1249 F HA 0.591 5.116 4.527 -0.004 0.000 0.333 1249 F C 0.203 175.949 175.800 -0.090 0.000 1.095 1249 F CA -0.609 57.362 58.000 -0.047 0.000 1.038 1249 F CB 1.219 40.194 39.000 -0.041 0.000 1.156 1249 F HN -0.007 nan 8.300 nan 0.000 0.483 1250 E N 3.843 124.102 120.200 0.098 0.000 2.216 1250 E HA 0.437 4.785 4.350 -0.004 0.000 0.260 1250 E C -1.384 175.200 176.600 -0.025 0.000 0.880 1250 E CA -0.385 55.989 56.400 -0.044 0.000 0.765 1250 E CB 1.412 31.123 29.700 0.018 0.000 1.174 1250 E HN 0.894 nan 8.360 nan 0.000 0.417 1251 E N 2.984 123.071 120.200 -0.189 0.000 2.427 1251 E HA 0.193 4.540 4.350 -0.004 0.000 0.279 1251 E C -1.574 174.926 176.600 -0.167 0.000 1.120 1251 E CA -0.841 55.515 56.400 -0.073 0.000 0.869 1251 E CB 0.547 30.271 29.700 0.040 0.000 1.393 1251 E HN 0.319 nan 8.360 nan 0.000 0.443 1252 Y N 0.448 120.842 120.300 0.157 0.000 2.361 1252 Y HA 0.574 5.121 4.550 -0.003 0.000 0.332 1252 Y C 0.099 176.076 175.900 0.128 0.000 1.101 1252 Y CA -0.423 57.790 58.100 0.188 0.000 1.137 1252 Y CB 2.020 40.585 38.460 0.174 0.000 1.207 1252 Y HN 0.271 nan 8.280 nan 0.000 0.463 1253 K N 1.830 122.442 120.400 0.354 0.000 2.501 1253 K HA 0.308 4.625 4.320 -0.004 0.000 0.252 1253 K C -1.902 174.900 176.600 0.337 0.000 0.934 1253 K CA -0.988 55.439 56.287 0.234 0.000 0.797 1253 K CB 2.074 34.682 32.500 0.180 0.000 1.270 1253 K HN 0.558 nan 8.250 nan 0.000 0.431 1254 D N 1.189 121.656 120.400 0.112 0.000 2.210 1254 D HA 0.342 4.980 4.640 -0.004 0.000 0.249 1254 D C -0.970 175.347 176.300 0.027 0.000 1.062 1254 D CA 0.244 54.362 54.000 0.197 0.000 0.891 1254 D CB 0.683 41.532 40.800 0.082 0.000 1.186 1254 D HN 0.213 nan 8.370 nan 0.000 0.432 1255 Y N 0.262 120.761 120.300 0.332 0.000 2.545 1255 Y HA 0.329 4.877 4.550 -0.004 0.000 0.348 1255 Y C -0.274 175.874 175.900 0.414 0.000 1.002 1255 Y CA -1.289 56.977 58.100 0.277 0.000 1.039 1255 Y CB 1.122 39.640 38.460 0.097 0.000 1.271 1255 Y HN 0.214 nan 8.280 nan 0.000 0.467 1256 F N 3.237 123.387 119.950 0.334 0.000 2.487 1256 F HA 0.362 4.886 4.527 -0.004 0.000 0.364 1256 F C -0.320 175.682 175.800 0.336 0.000 1.126 1256 F CA -0.577 57.611 58.000 0.313 0.000 1.135 1256 F CB -0.714 38.407 39.000 0.203 0.000 1.127 1256 F HN 0.464 nan 8.300 nan 0.000 0.559 1257 C N 6.117 125.609 119.300 0.320 0.000 3.157 1257 C HA 0.661 5.119 4.460 -0.004 0.000 0.368 1257 C C -0.121 174.947 174.990 0.130 0.000 1.623 1257 C CA -1.174 57.961 59.018 0.195 0.000 1.530 1257 C CB 1.857 29.812 27.740 0.358 0.000 2.152 1257 C HN 0.757 nan 8.230 nan 0.000 0.456 1258 I N 1.329 121.966 120.570 0.111 0.000 2.533 1258 I HA 0.602 4.770 4.170 -0.004 0.000 0.290 1258 I C -0.794 175.436 176.117 0.188 0.000 1.056 1258 I CA 0.457 61.855 61.300 0.163 0.000 1.057 1258 I CB 1.553 39.558 38.000 0.009 0.000 1.240 1258 I HN 0.679 nan 8.210 nan 0.000 0.423 1259 S N 5.494 121.403 115.700 0.350 0.000 2.548 1259 S HA 0.442 4.910 4.470 -0.004 0.000 0.276 1259 S C 0.230 175.018 174.600 0.312 0.000 1.129 1259 S CA -0.726 57.627 58.200 0.255 0.000 0.931 1259 S CB 1.975 65.206 63.200 0.051 0.000 1.068 1259 S HN 0.785 nan 8.310 nan 0.000 0.480 1260 K N 2.211 122.767 120.400 0.260 0.000 2.366 1260 K HA -0.007 4.311 4.320 -0.004 0.000 0.198 1260 K C 1.267 177.966 176.600 0.165 0.000 1.044 1260 K CA 0.624 57.038 56.287 0.213 0.000 0.973 1260 K CB -0.044 32.556 32.500 0.167 0.000 0.767 1260 K HN 0.761 nan 8.250 nan 0.000 0.475 1261 W N 1.028 122.290 121.300 -0.064 0.000 2.338 1261 W HA -0.242 4.416 4.660 -0.003 0.000 0.304 1261 W C 1.260 177.721 176.519 -0.096 0.000 1.212 1261 W CA 1.538 58.802 57.345 -0.134 0.000 1.264 1261 W CB -0.269 29.035 29.460 -0.260 0.000 1.142 1261 W HN 0.029 nan 8.180 nan 0.000 0.512 1262 Y N 0.359 120.705 120.300 0.077 0.000 2.274 1262 Y HA -0.229 4.319 4.550 -0.004 0.000 0.290 1262 Y C 2.433 178.180 175.900 -0.255 0.000 1.145 1262 Y CA 1.605 59.619 58.100 -0.144 0.000 1.203 1262 Y CB -1.303 37.199 38.460 0.069 0.000 0.984 1262 Y HN -0.057 nan 8.280 nan 0.000 0.533 1263 L N 0.509 121.733 121.223 0.000 0.000 2.051 1263 L HA -0.321 4.017 4.340 -0.004 0.000 0.214 1263 L C 2.382 179.142 176.870 -0.184 0.000 1.076 1263 L CA 2.318 57.109 54.840 -0.083 0.000 0.758 1263 L CB -0.621 41.437 42.059 -0.002 0.000 0.890 1263 L HN 0.346 nan 8.230 nan 0.000 0.433 1264 K N -1.401 118.859 120.400 -0.234 0.000 2.314 1264 K HA -0.026 4.292 4.320 -0.004 0.000 0.198 1264 K C 1.640 178.054 176.600 -0.310 0.000 1.045 1264 K CA 0.379 56.521 56.287 -0.242 0.000 0.988 1264 K CB -0.004 32.361 32.500 -0.225 0.000 0.783 1264 K HN 0.122 nan 8.250 nan 0.000 0.484 1265 E N 1.670 121.598 120.200 -0.453 0.000 2.107 1265 E HA -0.106 4.242 4.350 -0.004 0.000 0.191 1265 E C 2.216 178.639 176.600 -0.295 0.000 0.982 1265 E CA 1.557 57.681 56.400 -0.460 0.000 0.809 1265 E CB -0.166 29.107 29.700 -0.712 0.000 0.756 1265 E HN 0.373 nan 8.360 nan 0.000 0.459 1266 V N -0.965 118.792 119.914 -0.261 0.000 3.241 1266 V HA -0.060 4.058 4.120 -0.004 0.000 0.269 1266 V C 1.673 177.753 176.094 -0.023 0.000 1.151 1266 V CA 1.172 63.391 62.300 -0.136 0.000 1.158 1266 V CB -0.553 31.037 31.823 -0.389 0.000 0.764 1266 V HN 0.040 nan 8.190 nan 0.000 0.508 1267 K N 0.115 120.457 120.400 -0.097 0.000 2.323 1267 K HA 0.190 4.508 4.320 -0.004 0.000 0.197 1267 K C 0.949 177.547 176.600 -0.003 0.000 1.043 1267 K CA -0.136 56.136 56.287 -0.025 0.000 0.997 1267 K CB 0.097 32.563 32.500 -0.055 0.000 0.807 1267 K HN 0.464 nan 8.250 nan 0.000 0.497 1268 R N 1.780 122.249 120.500 -0.052 0.000 2.698 1268 R HA 0.057 4.395 4.340 -0.004 0.000 0.266 1268 R C -0.129 176.173 176.300 0.003 0.000 1.026 1268 R CA 0.544 56.616 56.100 -0.045 0.000 1.102 1268 R CB 0.346 30.590 30.300 -0.094 0.000 0.978 1268 R HN -0.151 nan 8.270 nan 0.000 0.436 1269 K N 3.052 123.456 120.400 0.007 0.000 2.378 1269 K HA 0.367 4.685 4.320 -0.004 0.000 0.252 1269 K C -1.963 174.645 176.600 0.013 0.000 0.931 1269 K CA -1.708 54.597 56.287 0.032 0.000 0.794 1269 K CB 1.634 34.154 32.500 0.034 0.000 1.181 1269 K HN 0.569 nan 8.250 nan 0.000 0.425 1270 P HA 0.116 nan 4.420 nan 0.000 0.274 1270 P C -0.531 176.807 177.300 0.063 0.000 1.246 1270 P CA -0.435 62.698 63.100 0.055 0.000 0.795 1270 P CB 0.415 32.144 31.700 0.048 0.000 1.006 1271 Y N 1.762 122.065 120.300 0.005 0.000 2.717 1271 Y HA -0.049 4.498 4.550 -0.004 0.000 0.330 1271 Y C 0.857 176.758 175.900 0.001 0.000 1.217 1271 Y CA 0.097 58.200 58.100 0.005 0.000 1.506 1271 Y CB -0.060 38.413 38.460 0.021 0.000 1.268 1271 Y HN 0.303 nan 8.280 nan 0.000 0.561 1272 N N 6.776 125.025 118.700 -0.752 0.000 2.448 1272 N HA 0.041 4.779 4.740 -0.004 0.000 0.250 1272 N C 0.513 175.716 175.510 -0.511 0.000 1.136 1272 N CA 0.282 53.038 53.050 -0.490 0.000 0.953 1272 N CB 0.111 38.376 38.487 -0.369 0.000 1.251 1272 N HN 0.920 nan 8.380 nan 0.000 0.502 1273 L N 2.275 123.389 121.223 -0.182 0.000 2.275 1273 L HA -0.076 4.262 4.340 -0.004 0.000 0.215 1273 L C 1.798 178.633 176.870 -0.058 0.000 1.119 1273 L CA 0.779 55.605 54.840 -0.024 0.000 0.790 1273 L CB -0.117 41.973 42.059 0.051 0.000 0.919 1273 L HN 0.303 nan 8.230 nan 0.000 0.443 1274 K N 0.452 120.802 120.400 -0.083 0.000 2.486 1274 K HA 0.142 4.460 4.320 -0.004 0.000 0.194 1274 K C 0.663 177.221 176.600 -0.069 0.000 1.033 1274 K CA 0.151 56.398 56.287 -0.067 0.000 1.004 1274 K CB -0.212 32.263 32.500 -0.041 0.000 0.798 1274 K HN 0.292 nan 8.250 nan 0.000 0.495 1275 L N 0.641 121.812 121.223 -0.087 0.000 2.514 1275 L HA -0.024 4.314 4.340 -0.004 0.000 0.280 1275 L C 1.714 178.533 176.870 -0.084 0.000 1.223 1275 L CA -0.019 54.816 54.840 -0.008 0.000 0.864 1275 L CB 0.393 42.418 42.059 -0.057 0.000 1.118 1275 L HN 0.186 nan 8.230 nan 0.000 0.494 1276 G N 1.370 110.198 108.800 0.047 0.000 2.776 1276 G HA2 -0.148 3.810 3.960 -0.004 0.000 0.209 1276 G HA3 -0.148 3.810 3.960 -0.004 0.000 0.209 1276 G C 1.119 175.721 174.900 -0.497 0.000 1.145 1276 G CA 0.542 45.557 45.100 -0.142 0.000 0.791 1276 G HN 0.901 nan 8.290 nan 0.000 0.530 1277 C N -1.303 117.591 119.300 -0.676 0.000 2.754 1277 C HA 0.373 4.831 4.460 -0.004 0.000 0.276 1277 C C 0.552 175.363 174.990 -0.299 0.000 1.264 1277 C CA -1.749 56.873 59.018 -0.660 0.000 1.700 1277 C CB -1.693 25.459 27.740 -0.980 0.000 1.885 1277 C HN 0.227 nan 8.230 nan 0.000 0.607 1278 N N 0.710 119.177 118.700 -0.388 0.000 2.420 1278 N HA 0.445 5.183 4.740 -0.004 0.000 0.249 1278 N C -1.135 174.140 175.510 -0.392 0.000 1.033 1278 N CA -0.189 52.748 53.050 -0.187 0.000 0.944 1278 N CB 0.603 39.049 38.487 -0.069 0.000 1.113 1278 N HN 0.561 nan 8.380 nan 0.000 0.502 1279 W N 0.953 122.207 121.300 -0.077 0.000 2.799 1279 W HA 0.494 5.152 4.660 -0.004 0.000 0.349 1279 W C -0.103 176.335 176.519 -0.136 0.000 1.100 1279 W CA -0.606 56.633 57.345 -0.177 0.000 1.174 1279 W CB 1.242 30.508 29.460 -0.322 0.000 1.427 1279 W HN 0.145 nan 8.180 nan 0.000 0.547 1280 Q N 0.928 120.800 119.800 0.120 0.000 2.389 1280 Q HA 0.482 4.820 4.340 -0.004 0.000 0.277 1280 Q C -1.633 174.253 176.000 -0.190 0.000 1.082 1280 Q CA -1.037 54.828 55.803 0.102 0.000 0.810 1280 Q CB 2.693 31.672 28.738 0.403 0.000 1.374 1280 Q HN 0.309 nan 8.270 nan 0.000 0.422 1281 F N 2.064 121.968 119.950 -0.078 0.000 2.427 1281 F HA 0.494 5.018 4.527 -0.004 0.000 0.346 1281 F C 0.018 175.690 175.800 -0.214 0.000 1.120 1281 F CA -0.580 57.254 58.000 -0.277 0.000 1.033 1281 F CB 0.957 39.437 39.000 -0.867 0.000 1.126 1281 F HN 0.264 nan 8.300 nan 0.000 0.462 1282 I N 6.122 126.770 120.570 0.131 0.000 2.390 1282 I HA 0.321 4.488 4.170 -0.004 0.000 0.283 1282 I C -2.499 173.923 176.117 0.507 0.000 1.016 1282 I CA -1.959 59.387 61.300 0.077 0.000 1.151 1282 I CB 1.381 39.230 38.000 -0.252 0.000 1.293 1282 I HN 0.274 nan 8.210 nan 0.000 0.458 1283 P HA 0.268 nan 4.420 nan 0.000 0.285 1283 P C -0.923 176.712 177.300 0.558 0.000 1.280 1283 P CA -0.850 62.562 63.100 0.520 0.000 0.862 1283 P CB 1.307 33.256 31.700 0.415 0.000 1.153 1284 K N 1.349 121.887 120.400 0.229 0.000 2.485 1284 K HA 0.107 4.425 4.320 -0.004 0.000 0.277 1284 K C -0.238 176.491 176.600 0.216 0.000 0.990 1284 K CA 0.874 57.151 56.287 -0.016 0.000 0.994 1284 K CB -0.301 32.090 32.500 -0.181 0.000 0.906 1284 K HN 0.585 nan 8.250 nan 0.000 0.488 1285 D N 0.067 120.633 120.400 0.278 0.000 2.990 1285 D HA 0.028 4.665 4.640 -0.004 0.000 0.227 1285 D C 0.830 177.201 176.300 0.118 0.000 1.249 1285 D CA -0.434 53.624 54.000 0.097 0.000 0.891 1285 D CB 1.035 41.661 40.800 -0.290 0.000 1.647 1285 D HN 0.496 nan 8.370 nan 0.000 0.530 1286 E N 1.790 122.047 120.200 0.095 0.000 2.267 1286 E HA -0.132 4.216 4.350 -0.004 0.000 0.197 1286 E C 1.465 178.194 176.600 0.216 0.000 0.998 1286 E CA 1.020 57.510 56.400 0.152 0.000 0.830 1286 E CB -0.114 29.665 29.700 0.131 0.000 0.751 1286 E HN 0.443 nan 8.360 nan 0.000 0.491 1287 G N 0.240 109.154 108.800 0.189 0.000 2.848 1287 G HA2 -0.139 3.819 3.960 -0.004 0.000 0.208 1287 G HA3 -0.139 3.819 3.960 -0.004 0.000 0.208 1287 G C -0.403 174.464 174.900 -0.055 0.000 1.152 1287 G CA -0.227 44.934 45.100 0.102 0.000 0.789 1287 G HN 0.319 nan 8.290 nan 0.000 0.531 1288 W N 2.248 123.439 121.300 -0.182 0.000 2.687 1288 W HA 0.470 5.127 4.660 -0.004 0.000 0.328 1288 W C -0.938 175.576 176.519 -0.008 0.000 1.012 1288 W CA -0.691 56.549 57.345 -0.174 0.000 1.262 1288 W CB 1.417 30.769 29.460 -0.180 0.000 1.331 1288 W HN 0.027 nan 8.180 nan 0.000 0.433 1289 T N 1.991 116.267 114.554 -0.463 0.000 2.887 1289 T HA 0.752 5.100 4.350 -0.004 0.000 0.288 1289 T C -0.479 173.958 174.700 -0.439 0.000 1.021 1289 T CA -0.519 61.464 62.100 -0.195 0.000 1.000 1289 T CB 2.941 71.746 68.868 -0.105 0.000 1.034 1289 T HN 0.551 nan 8.240 nan 0.000 0.467 1290 E N 0.000 120.143 120.200 -0.095 0.000 2.725 1290 E HA 0.000 4.348 4.350 -0.004 0.000 0.291 1290 E CA 0.000 56.401 56.400 0.002 0.000 0.976 1290 E CB 0.000 29.760 29.700 0.100 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440