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 1s0d_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 0.000 177.301 177.300 0.002 0.000 1.155 1 P CA 0.000 63.102 63.100 0.004 0.000 0.800 1 P CB 0.000 31.700 31.700 -0.000 0.000 0.726 2 V N 0.788 120.707 119.914 0.009 0.000 2.427 2 V HA 0.481 4.602 4.120 0.002 0.000 0.286 2 V C 0.313 176.410 176.094 0.004 0.000 1.034 2 V CA -0.011 62.295 62.300 0.010 0.000 0.893 2 V CB 1.688 33.528 31.823 0.028 0.000 0.982 2 V HN 0.723 nan 8.190 nan 0.000 0.452 3 T N 6.436 120.983 114.554 -0.011 0.000 2.743 3 T HA 0.480 4.832 4.350 0.002 0.000 0.292 3 T C -0.135 174.540 174.700 -0.041 0.000 0.972 3 T CA -0.251 61.834 62.100 -0.024 0.000 0.967 3 T CB 0.434 69.283 68.868 -0.031 0.000 0.926 3 T HN 0.276 nan 8.240 nan 0.000 0.459 4 I N 4.561 125.103 120.570 -0.047 0.000 2.297 4 I HA 0.230 4.401 4.170 0.002 0.000 0.291 4 I C 0.654 176.684 176.117 -0.144 0.000 1.033 4 I CA -0.821 60.425 61.300 -0.090 0.000 1.253 4 I CB 0.129 38.096 38.000 -0.056 0.000 1.396 4 I HN 0.519 nan 8.210 nan 0.000 0.476 5 N N 6.010 124.607 118.700 -0.172 0.000 2.371 5 N HA 0.177 4.918 4.740 0.002 0.000 0.243 5 N C -0.085 175.132 175.510 -0.488 0.000 1.287 5 N CA 0.132 53.063 53.050 -0.198 0.000 0.911 5 N CB 0.867 39.345 38.487 -0.015 0.000 1.142 5 N HN 0.498 nan 8.380 nan 0.000 0.451 6 N N 0.245 118.660 118.700 -0.475 0.000 2.238 6 N HA 0.567 5.308 4.740 0.002 0.000 0.302 6 N C -1.164 174.043 175.510 -0.506 0.000 1.072 6 N CA -0.249 52.430 53.050 -0.618 0.000 0.792 6 N CB 1.807 40.137 38.487 -0.262 0.000 1.425 6 N HN 0.388 nan 8.380 nan 0.000 0.478 7 F N -1.304 118.670 119.950 0.039 0.000 2.878 7 F HA 0.427 4.955 4.527 0.002 0.000 0.322 7 F C -1.322 174.519 175.800 0.068 0.000 1.154 7 F CA -1.229 56.824 58.000 0.088 0.000 0.896 7 F CB 0.600 39.717 39.000 0.195 0.000 1.313 7 F HN 0.113 nan 8.300 nan 0.000 0.451 8 N N 0.323 119.262 118.700 0.400 0.000 2.384 8 N HA 0.181 4.922 4.740 0.002 0.000 0.301 8 N C 0.062 175.767 175.510 0.326 0.000 1.133 8 N CA -0.631 52.586 53.050 0.278 0.000 0.853 8 N CB 1.690 40.291 38.487 0.191 0.000 1.241 8 N HN 0.881 nan 8.380 nan 0.000 0.502 9 Y N 1.811 122.184 120.300 0.121 0.000 2.298 9 Y HA -0.131 4.420 4.550 0.002 0.000 0.287 9 Y C 1.267 177.352 175.900 0.307 0.000 1.164 9 Y CA 1.802 59.998 58.100 0.159 0.000 1.229 9 Y CB 0.050 38.551 38.460 0.068 0.000 0.977 9 Y HN 0.492 nan 8.280 nan 0.000 0.538 10 N N 0.341 119.148 118.700 0.178 0.000 2.412 10 N HA -0.037 4.704 4.740 0.002 0.000 0.184 10 N C -0.454 175.087 175.510 0.052 0.000 1.101 10 N CA 0.420 53.516 53.050 0.076 0.000 0.881 10 N CB -0.291 38.268 38.487 0.120 0.000 0.969 10 N HN 0.325 nan 8.380 nan 0.000 0.459 11 D N 2.010 122.477 120.400 0.112 0.000 2.478 11 D HA 0.023 4.664 4.640 0.002 0.000 0.234 11 D C -1.956 174.339 176.300 -0.008 0.000 1.154 11 D CA -0.492 53.558 54.000 0.084 0.000 0.874 11 D CB 0.449 41.345 40.800 0.160 0.000 1.198 11 D HN 0.196 nan 8.370 nan 0.000 0.455 12 P HA 0.205 nan 4.420 nan 0.000 0.277 12 P C -0.005 177.234 177.300 -0.103 0.000 1.240 12 P CA -0.447 62.615 63.100 -0.064 0.000 0.798 12 P CB 0.802 32.480 31.700 -0.036 0.000 0.979 13 I N 2.208 122.699 120.570 -0.132 0.000 2.752 13 I HA -0.068 4.104 4.170 0.002 0.000 0.287 13 I C 1.107 177.166 176.117 -0.098 0.000 1.188 13 I CA 0.887 62.097 61.300 -0.151 0.000 1.427 13 I CB 0.113 38.024 38.000 -0.149 0.000 1.365 13 I HN 0.467 nan 8.210 nan 0.000 0.585 14 D N 3.035 123.384 120.400 -0.085 0.000 2.539 14 D HA 0.024 4.665 4.640 0.002 0.000 0.232 14 D C 0.247 176.524 176.300 -0.038 0.000 1.256 14 D CA -0.333 53.637 54.000 -0.049 0.000 0.810 14 D CB 0.000 40.783 40.800 -0.029 0.000 1.090 14 D HN 0.480 nan 8.370 nan 0.000 0.519 15 N N 0.313 118.982 118.700 -0.052 0.000 2.713 15 N HA -0.253 4.488 4.740 0.002 0.000 0.251 15 N C 0.237 175.753 175.510 0.011 0.000 1.117 15 N CA 1.259 54.285 53.050 -0.040 0.000 0.770 15 N CB -1.574 36.883 38.487 -0.049 0.000 1.137 15 N HN 0.609 nan 8.380 nan 0.000 0.566 16 N N -0.156 118.569 118.700 0.042 0.000 3.166 16 N HA 0.123 4.864 4.740 0.002 0.000 0.242 16 N C 0.206 175.813 175.510 0.162 0.000 1.017 16 N CA -0.026 53.078 53.050 0.089 0.000 1.113 16 N CB 0.280 38.793 38.487 0.044 0.000 1.629 16 N HN 0.026 nan 8.380 nan 0.000 0.601 17 N N 0.368 119.114 118.700 0.076 0.000 2.205 17 N HA 0.329 5.070 4.740 0.002 0.000 0.201 17 N C -0.569 174.928 175.510 -0.022 0.000 1.128 17 N CA 0.219 53.274 53.050 0.008 0.000 0.867 17 N CB 1.806 40.288 38.487 -0.009 0.000 0.996 17 N HN 0.336 nan 8.380 nan 0.000 0.503 18 I N 2.014 122.570 120.570 -0.023 0.000 2.529 18 I HA 0.366 4.537 4.170 0.002 0.000 0.284 18 I C -0.677 175.343 176.117 -0.162 0.000 1.088 18 I CA -0.666 60.493 61.300 -0.235 0.000 1.062 18 I CB 1.751 39.528 38.000 -0.372 0.000 1.218 18 I HN -0.155 nan 8.210 nan 0.000 0.442 19 I N 1.901 122.371 120.570 -0.167 0.000 3.343 19 I HA 0.635 4.806 4.170 0.002 0.000 0.315 19 I C -1.216 174.786 176.117 -0.192 0.000 1.153 19 I CA -1.132 60.064 61.300 -0.173 0.000 0.952 19 I CB 2.419 40.303 38.000 -0.193 0.000 1.287 19 I HN 0.245 nan 8.210 nan 0.000 0.472 20 M N 3.485 123.002 119.600 -0.139 0.000 2.060 20 M HA 0.436 4.917 4.480 0.002 0.000 0.342 20 M C -0.584 175.756 176.300 0.066 0.000 1.031 20 M CA -0.383 54.892 55.300 -0.040 0.000 0.981 20 M CB 0.771 33.312 32.600 -0.098 0.000 1.376 20 M HN 0.701 nan 8.290 nan 0.000 0.397 21 M N 2.142 121.788 119.600 0.077 0.000 2.288 21 M HA 0.274 4.755 4.480 0.002 0.000 0.334 21 M C -0.187 176.244 176.300 0.219 0.000 1.150 21 M CA -0.167 55.165 55.300 0.054 0.000 1.118 21 M CB 1.145 33.636 32.600 -0.183 0.000 1.501 21 M HN 0.594 nan 8.290 nan 0.000 0.462 22 E N 4.802 125.055 120.200 0.087 0.000 2.121 22 E HA 0.437 4.788 4.350 0.002 0.000 0.255 22 E C -2.546 174.008 176.600 -0.077 0.000 0.906 22 E CA -2.090 54.229 56.400 -0.135 0.000 0.745 22 E CB 0.786 30.368 29.700 -0.196 0.000 1.155 22 E HN 0.265 nan 8.360 nan 0.000 0.424 23 P HA 0.013 nan 4.420 nan 0.000 0.266 23 P C -2.169 174.999 177.300 -0.220 0.000 1.195 23 P CA -0.981 62.032 63.100 -0.146 0.000 0.768 23 P CB 0.541 32.148 31.700 -0.155 0.000 0.838 24 P HA -0.191 nan 4.420 nan 0.000 0.216 24 P C 0.942 178.153 177.300 -0.149 0.000 1.154 24 P CA 1.673 64.630 63.100 -0.238 0.000 0.865 24 P CB -0.327 31.137 31.700 -0.394 0.000 0.789 25 F N -1.587 118.126 119.950 -0.397 0.000 2.802 25 F HA 0.092 4.620 4.527 0.002 0.000 0.300 25 F C 2.045 177.705 175.800 -0.234 0.000 1.168 25 F CA -0.162 57.604 58.000 -0.389 0.000 1.433 25 F CB -0.208 38.421 39.000 -0.618 0.000 1.115 25 F HN -0.068 nan 8.300 nan 0.000 0.582 26 A N 0.375 123.175 122.820 -0.034 0.000 2.238 26 A HA 0.022 4.343 4.320 0.002 0.000 0.208 26 A C 1.423 178.979 177.584 -0.047 0.000 1.177 26 A CA 0.034 52.109 52.037 0.063 0.000 0.804 26 A CB -0.478 18.545 19.000 0.039 0.000 0.823 26 A HN 0.449 nan 8.150 nan 0.000 0.482 27 R N -2.577 117.907 120.500 -0.027 0.000 3.847 27 R HA -0.242 4.099 4.340 0.002 0.000 0.304 27 R C 1.014 177.062 176.300 -0.420 0.000 1.203 27 R CA 0.604 56.673 56.100 -0.052 0.000 0.835 27 R CB -2.347 27.943 30.300 -0.016 0.000 1.253 27 R HN 1.555 nan 8.270 nan 0.000 0.516 28 G N -0.981 107.385 108.800 -0.723 0.000 2.143 28 G HA2 -0.372 3.589 3.960 0.002 0.000 0.248 28 G HA3 -0.372 3.589 3.960 0.002 0.000 0.248 28 G C 0.214 174.641 174.900 -0.788 0.000 0.991 28 G CA 1.036 45.198 45.100 -1.563 0.000 0.689 28 G HN 0.791 nan 8.290 nan 0.000 0.522 29 T N -3.292 111.005 114.554 -0.428 0.000 2.633 29 T HA 0.930 5.281 4.350 0.002 0.000 0.262 29 T C 1.369 175.956 174.700 -0.188 0.000 0.920 29 T CA 0.669 62.622 62.100 -0.244 0.000 1.062 29 T CB 1.680 70.456 68.868 -0.153 0.000 1.390 29 T HN 2.210 nan 8.240 nan 0.000 0.549 30 G N 1.069 109.807 108.800 -0.104 0.000 2.692 30 G HA2 -0.013 3.948 3.960 0.002 0.000 0.248 30 G HA3 -0.013 3.948 3.960 0.002 0.000 0.248 30 G C -0.338 174.497 174.900 -0.109 0.000 1.340 30 G CA 0.389 45.446 45.100 -0.072 0.000 0.896 30 G HN 0.953 nan 8.290 nan 0.000 0.570 31 R N -1.225 119.221 120.500 -0.090 0.000 2.549 31 R HA 0.705 5.046 4.340 0.002 0.000 0.259 31 R C -0.142 176.047 176.300 -0.185 0.000 1.095 31 R CA -0.638 55.413 56.100 -0.082 0.000 1.148 31 R CB -0.040 30.197 30.300 -0.106 0.000 1.181 31 R HN 0.547 nan 8.270 nan 0.000 0.571 32 Y N -0.186 120.074 120.300 -0.067 0.000 2.458 32 Y HA 0.402 4.953 4.550 0.002 0.000 0.322 32 Y C -0.598 175.258 175.900 -0.074 0.000 1.259 32 Y CA -0.053 58.075 58.100 0.046 0.000 1.302 32 Y CB 0.916 39.380 38.460 0.008 0.000 1.314 32 Y HN 0.366 nan 8.280 nan 0.000 0.509 33 Y N -0.208 120.199 120.300 0.178 0.000 2.391 33 Y HA 0.316 4.868 4.550 0.002 0.000 0.341 33 Y C -0.182 175.770 175.900 0.086 0.000 0.965 33 Y CA -1.801 56.391 58.100 0.152 0.000 1.067 33 Y CB 1.595 40.177 38.460 0.204 0.000 1.199 33 Y HN 0.348 nan 8.280 nan 0.000 0.450 34 K N 2.492 123.010 120.400 0.195 0.000 2.402 34 K HA 0.537 4.858 4.320 0.002 0.000 0.285 34 K C -0.591 176.039 176.600 0.050 0.000 1.054 34 K CA 0.069 56.356 56.287 -0.001 0.000 1.001 34 K CB 0.062 32.515 32.500 -0.078 0.000 0.946 34 K HN 0.807 nan 8.250 nan 0.000 0.473 35 A N 4.702 127.447 122.820 -0.124 0.000 2.337 35 A HA 0.655 4.976 4.320 0.002 0.000 0.329 35 A C -1.343 176.202 177.584 -0.066 0.000 1.146 35 A CA -0.748 51.328 52.037 0.065 0.000 0.800 35 A CB 0.512 19.519 19.000 0.011 0.000 1.220 35 A HN 0.596 nan 8.150 nan 0.000 0.472 36 F N 1.030 121.066 119.950 0.144 0.000 2.467 36 F HA 0.438 4.966 4.527 0.002 0.000 0.336 36 F C 0.581 176.259 175.800 -0.203 0.000 1.123 36 F CA -0.764 57.084 58.000 -0.254 0.000 0.964 36 F CB 2.062 40.539 39.000 -0.871 0.000 1.136 36 F HN 0.565 nan 8.300 nan 0.000 0.447 37 K N 4.486 124.645 120.400 -0.401 0.000 2.262 37 K HA 0.239 4.560 4.320 0.002 0.000 0.288 37 K C 0.940 177.435 176.600 -0.174 0.000 1.090 37 K CA 0.011 55.801 56.287 -0.829 0.000 0.918 37 K CB 0.251 32.057 32.500 -1.157 0.000 1.139 37 K HN 0.932 nan 8.250 nan 0.000 0.462 38 I N 3.025 123.507 120.570 -0.146 0.000 2.617 38 I HA -0.130 4.041 4.170 0.002 0.000 0.256 38 I C 0.330 176.308 176.117 -0.232 0.000 1.167 38 I CA 1.056 62.286 61.300 -0.116 0.000 1.469 38 I CB 0.328 38.098 38.000 -0.383 0.000 1.098 38 I HN 0.808 nan 8.210 nan 0.000 0.436 39 T N -3.538 110.854 114.554 -0.270 0.000 2.693 39 T HA 0.217 4.568 4.350 0.002 0.000 0.304 39 T C -1.048 173.514 174.700 -0.230 0.000 1.471 39 T CA -0.980 61.006 62.100 -0.190 0.000 0.993 39 T CB 1.042 69.843 68.868 -0.112 0.000 1.554 39 T HN -0.134 nan 8.240 nan 0.000 0.496 40 D N 1.433 121.745 120.400 -0.147 0.000 2.455 40 D HA 0.235 4.876 4.640 0.002 0.000 0.241 40 D C 0.855 177.091 176.300 -0.106 0.000 1.138 40 D CA 0.320 54.243 54.000 -0.128 0.000 0.877 40 D CB 0.403 41.162 40.800 -0.068 0.000 1.187 40 D HN 0.620 nan 8.370 nan 0.000 0.451 41 R N 0.427 120.885 120.500 -0.071 0.000 4.010 41 R HA -0.205 4.136 4.340 0.002 0.000 0.409 41 R C -0.253 176.069 176.300 0.038 0.000 1.120 41 R CA 0.747 56.878 56.100 0.052 0.000 1.244 41 R CB -2.120 28.214 30.300 0.057 0.000 1.799 41 R HN 0.566 nan 8.270 nan 0.000 0.559 42 I N 0.121 120.588 120.570 -0.170 0.000 2.418 42 I HA 0.321 4.492 4.170 0.002 0.000 0.287 42 I C -0.239 175.681 176.117 -0.329 0.000 1.008 42 I CA -0.649 60.585 61.300 -0.110 0.000 1.104 42 I CB 1.202 39.166 38.000 -0.060 0.000 1.264 42 I HN -0.123 nan 8.210 nan 0.000 0.438 43 W N 6.690 127.987 121.300 -0.005 0.000 2.606 43 W HA 0.602 5.263 4.660 0.002 0.000 0.332 43 W C -0.543 175.977 176.519 0.001 0.000 1.052 43 W CA -0.576 56.764 57.345 -0.009 0.000 1.223 43 W CB 1.442 30.879 29.460 -0.039 0.000 1.383 43 W HN 0.071 nan 8.180 nan 0.000 0.524 44 I N 4.374 125.129 120.570 0.308 0.000 2.406 44 I HA 0.374 4.545 4.170 0.002 0.000 0.290 44 I C -0.493 175.833 176.117 0.347 0.000 0.999 44 I CA -1.092 60.379 61.300 0.285 0.000 1.124 44 I CB 1.285 39.454 38.000 0.283 0.000 1.289 44 I HN 0.380 nan 8.210 nan 0.000 0.441 45 I N 8.223 128.915 120.570 0.205 0.000 2.464 45 I HA 0.209 4.380 4.170 0.002 0.000 0.277 45 I C -1.906 174.356 176.117 0.242 0.000 1.040 45 I CA -1.536 59.894 61.300 0.216 0.000 1.153 45 I CB 1.894 39.839 38.000 -0.092 0.000 1.274 45 I HN 0.257 nan 8.210 nan 0.000 0.469 46 P HA 0.070 nan 4.420 nan 0.000 0.237 46 P C -0.458 176.767 177.300 -0.124 0.000 1.701 46 P CA 0.598 63.661 63.100 -0.061 0.000 0.955 46 P CB -0.072 31.699 31.700 0.118 0.000 1.937 47 E N 0.434 120.644 120.200 0.017 0.000 2.408 47 E HA 0.378 4.729 4.350 0.002 0.000 0.275 47 E C -0.126 176.558 176.600 0.141 0.000 0.935 47 E CA -1.178 55.278 56.400 0.093 0.000 0.775 47 E CB 1.656 31.540 29.700 0.306 0.000 1.277 47 E HN 0.043 nan 8.360 nan 0.000 0.455 48 R N 0.917 121.466 120.500 0.083 0.000 2.679 48 R HA 0.050 4.391 4.340 0.002 0.000 0.268 48 R C -0.531 175.854 176.300 0.142 0.000 1.044 48 R CA 0.118 56.295 56.100 0.130 0.000 1.105 48 R CB -0.076 30.238 30.300 0.024 0.000 0.989 48 R HN 0.535 nan 8.270 nan 0.000 0.447 49 Y N 1.628 121.967 120.300 0.066 0.000 2.452 49 Y HA 0.020 4.571 4.550 0.002 0.000 0.348 49 Y C 1.180 177.102 175.900 0.037 0.000 0.985 49 Y CA 0.269 58.328 58.100 -0.068 0.000 1.214 49 Y CB 0.699 39.162 38.460 0.006 0.000 1.136 49 Y HN 0.682 nan 8.280 nan 0.000 0.523 50 T N 1.351 115.632 114.554 -0.454 0.000 2.990 50 T HA 0.163 4.514 4.350 0.002 0.000 0.249 50 T C 0.208 174.810 174.700 -0.163 0.000 1.039 50 T CA -0.244 61.765 62.100 -0.152 0.000 1.036 50 T CB -0.482 68.200 68.868 -0.309 0.000 0.994 50 T HN 0.345 nan 8.240 nan 0.000 0.489 51 F N 3.163 122.973 119.950 -0.234 0.000 2.514 51 F HA 0.387 4.915 4.527 0.002 0.000 0.399 51 F C 1.795 177.614 175.800 0.031 0.000 1.011 51 F CA 0.974 58.890 58.000 -0.140 0.000 1.109 51 F CB -0.684 38.169 39.000 -0.246 0.000 0.980 51 F HN 0.415 nan 8.300 nan 0.000 0.538 52 G N 2.030 110.884 108.800 0.089 0.000 2.175 52 G HA2 -0.296 3.665 3.960 0.002 0.000 0.244 52 G HA3 -0.296 3.665 3.960 0.002 0.000 0.244 52 G C -0.479 174.348 174.900 -0.121 0.000 0.982 52 G CA -0.559 44.491 45.100 -0.083 0.000 0.641 52 G HN 0.603 nan 8.290 nan 0.000 0.527 53 Y N 0.457 120.888 120.300 0.218 0.000 2.446 53 Y HA 0.612 5.163 4.550 0.002 0.000 0.345 53 Y C 0.735 176.769 175.900 0.224 0.000 0.984 53 Y CA -1.057 57.174 58.100 0.219 0.000 1.058 53 Y CB 1.426 39.953 38.460 0.111 0.000 1.220 53 Y HN -0.003 nan 8.280 nan 0.000 0.455 54 K N 3.460 124.098 120.400 0.398 0.000 2.237 54 K HA 0.173 4.494 4.320 0.002 0.000 0.270 54 K C -2.002 174.819 176.600 0.369 0.000 1.015 54 K CA -1.466 54.993 56.287 0.285 0.000 0.949 54 K CB 0.626 33.255 32.500 0.215 0.000 0.976 54 K HN 0.317 nan 8.250 nan 0.000 0.472 55 P HA -0.243 nan 4.420 nan 0.000 0.216 55 P C 0.979 178.455 177.300 0.293 0.000 1.150 55 P CA 1.204 64.446 63.100 0.236 0.000 0.837 55 P CB 0.174 31.916 31.700 0.069 0.000 0.786 56 E N -0.335 119.988 120.200 0.205 0.000 2.274 56 E HA -0.196 4.155 4.350 0.002 0.000 0.194 56 E C 0.960 177.678 176.600 0.196 0.000 0.996 56 E CA 1.134 57.629 56.400 0.159 0.000 0.840 56 E CB -1.066 28.686 29.700 0.087 0.000 0.772 56 E HN 0.206 nan 8.360 nan 0.000 0.491 57 D N 0.598 121.155 120.400 0.262 0.000 2.265 57 D HA -0.129 4.512 4.640 0.002 0.000 0.208 57 D C 1.239 177.678 176.300 0.232 0.000 0.977 57 D CA 0.707 54.859 54.000 0.254 0.000 0.871 57 D CB -0.422 40.643 40.800 0.441 0.000 0.925 57 D HN 0.252 nan 8.370 nan 0.000 0.485 58 F N 0.769 120.820 119.950 0.169 0.000 2.641 58 F HA -0.018 4.510 4.527 0.002 0.000 0.298 58 F C 1.048 176.944 175.800 0.160 0.000 1.146 58 F CA 0.377 58.456 58.000 0.132 0.000 1.464 58 F CB -0.085 38.929 39.000 0.024 0.000 1.101 58 F HN -0.177 nan 8.300 nan 0.000 0.585 59 N N 0.715 119.538 118.700 0.206 0.000 2.466 59 N HA 0.117 4.858 4.740 0.002 0.000 0.294 59 N C -0.265 175.108 175.510 -0.229 0.000 1.129 59 N CA -0.632 52.439 53.050 0.035 0.000 0.931 59 N CB 1.244 39.731 38.487 -0.001 0.000 1.193 59 N HN 0.035 nan 8.380 nan 0.000 0.500 60 K N 0.571 120.749 120.400 -0.370 0.000 2.412 60 K HA 0.109 4.430 4.320 0.002 0.000 0.281 60 K C 0.096 176.439 176.600 -0.429 0.000 1.027 60 K CA -0.058 55.789 56.287 -0.735 0.000 0.989 60 K CB 0.384 32.663 32.500 -0.369 0.000 0.935 60 K HN 0.735 nan 8.250 nan 0.000 0.475 61 S N 1.350 116.769 115.700 -0.468 0.000 2.900 61 S HA 0.205 4.676 4.470 0.002 0.000 0.320 61 S C 0.586 175.061 174.600 -0.207 0.000 1.130 61 S CA -0.199 57.846 58.200 -0.258 0.000 0.863 61 S CB 0.970 64.037 63.200 -0.220 0.000 1.295 61 S HN 0.654 nan 8.310 nan 0.000 0.596 62 S N -0.672 114.944 115.700 -0.140 0.000 2.603 62 S HA 0.360 4.831 4.470 0.002 0.000 0.220 62 S C 0.852 175.396 174.600 -0.093 0.000 0.967 62 S CA 0.007 58.149 58.200 -0.097 0.000 0.920 62 S CB -0.953 62.207 63.200 -0.067 0.000 0.773 62 S HN 1.138 nan 8.310 nan 0.000 0.529 63 G N 1.007 109.721 108.800 -0.144 0.000 2.667 63 G HA2 0.699 4.660 3.960 0.002 0.000 0.310 63 G HA3 0.699 4.660 3.960 0.002 0.000 0.310 63 G C -0.955 173.851 174.900 -0.157 0.000 1.259 63 G CA -1.014 44.001 45.100 -0.141 0.000 1.019 63 G HN 0.517 nan 8.290 nan 0.000 0.496 64 I N -4.174 116.311 120.570 -0.141 0.000 2.913 64 I HA 0.559 4.730 4.170 0.002 0.000 0.302 64 I C -0.319 175.719 176.117 -0.132 0.000 1.246 64 I CA -1.082 60.179 61.300 -0.066 0.000 1.010 64 I CB 1.633 39.668 38.000 0.058 0.000 1.259 64 I HN 0.415 nan 8.210 nan 0.000 0.434 65 F N 0.633 120.630 119.950 0.079 0.000 2.220 65 F HA 0.215 4.743 4.527 0.002 0.000 0.290 65 F C 1.240 177.039 175.800 -0.001 0.000 1.080 65 F CA 0.887 58.916 58.000 0.048 0.000 1.318 65 F CB 0.294 39.320 39.000 0.043 0.000 1.063 65 F HN 0.593 nan 8.300 nan 0.000 0.498 66 N N 0.073 118.875 118.700 0.170 0.000 2.342 66 N HA 0.189 4.930 4.740 0.002 0.000 0.293 66 N C 0.385 175.897 175.510 0.003 0.000 1.026 66 N CA -0.260 52.826 53.050 0.060 0.000 0.857 66 N CB 1.522 40.040 38.487 0.052 0.000 1.256 66 N HN 0.050 nan 8.380 nan 0.000 0.484 67 R N 1.012 121.455 120.500 -0.094 0.000 2.237 67 R HA 0.022 4.363 4.340 0.002 0.000 0.219 67 R C -0.222 176.134 176.300 0.093 0.000 1.080 67 R CA 0.963 56.981 56.100 -0.137 0.000 0.995 67 R CB 0.282 30.349 30.300 -0.389 0.000 0.875 67 R HN 0.536 nan 8.270 nan 0.000 0.462 68 D N 0.028 120.458 120.400 0.050 0.000 2.670 68 D HA 0.125 4.766 4.640 0.002 0.000 0.255 68 D C -0.872 175.439 176.300 0.018 0.000 1.286 68 D CA 0.186 54.214 54.000 0.046 0.000 0.830 68 D CB 1.168 41.965 40.800 -0.005 0.000 1.065 68 D HN -0.117 nan 8.370 nan 0.000 0.486 69 V N 1.043 120.984 119.914 0.046 0.000 2.686 69 V HA 0.148 4.270 4.120 0.002 0.000 0.306 69 V C 0.251 176.388 176.094 0.071 0.000 1.065 69 V CA -0.877 61.444 62.300 0.035 0.000 0.894 69 V CB 2.269 34.100 31.823 0.015 0.000 1.004 69 V HN 0.184 nan 8.190 nan 0.000 0.424 70 C N 4.321 123.661 119.300 0.067 0.000 2.423 70 C HA 0.196 4.657 4.460 0.002 0.000 0.378 70 C C 0.987 176.043 174.990 0.111 0.000 1.068 70 C CA -0.648 58.426 59.018 0.094 0.000 1.371 70 C CB -1.896 25.890 27.740 0.077 0.000 1.856 70 C HN 0.790 nan 8.230 nan 0.000 0.523 71 E N 1.698 121.981 120.200 0.138 0.000 2.324 71 E HA 0.109 4.460 4.350 0.002 0.000 0.271 71 E C -0.658 176.068 176.600 0.209 0.000 1.028 71 E CA 0.103 56.577 56.400 0.123 0.000 0.890 71 E CB 0.752 30.557 29.700 0.175 0.000 1.004 71 E HN 0.668 nan 8.360 nan 0.000 0.431 72 Y N 3.762 124.019 120.300 -0.071 0.000 2.331 72 Y HA 0.282 4.833 4.550 0.002 0.000 0.338 72 Y C -1.487 174.285 175.900 -0.213 0.000 0.992 72 Y CA -0.932 57.150 58.100 -0.030 0.000 1.121 72 Y CB 0.589 38.993 38.460 -0.093 0.000 1.184 72 Y HN 0.370 nan 8.280 nan 0.000 0.469 73 Y N 3.969 123.760 120.300 -0.847 0.000 2.446 73 Y HA 0.490 5.041 4.550 0.001 0.000 0.338 73 Y C -0.434 174.892 175.900 -0.956 0.000 1.055 73 Y CA -1.122 56.551 58.100 -0.711 0.000 1.101 73 Y CB 1.670 39.917 38.460 -0.354 0.000 1.221 73 Y HN 0.578 nan 8.280 nan 0.000 0.460 74 D N 3.459 123.595 120.400 -0.441 0.000 2.362 74 D HA 0.112 4.753 4.640 0.002 0.000 0.228 74 D C -2.429 173.842 176.300 -0.048 0.000 1.326 74 D CA -1.167 52.653 54.000 -0.299 0.000 0.927 74 D CB 1.790 42.411 40.800 -0.298 0.000 1.501 74 D HN 0.249 nan 8.370 nan 0.000 0.519 75 P HA 0.003 nan 4.420 nan 0.000 0.230 75 P C 0.424 177.738 177.300 0.024 0.000 1.158 75 P CA 0.512 63.660 63.100 0.081 0.000 0.769 75 P CB 0.661 32.404 31.700 0.072 0.000 0.807 76 D N -1.649 118.770 120.400 0.031 0.000 2.349 76 D HA -0.036 4.606 4.640 0.002 0.000 0.215 76 D C 0.542 176.885 176.300 0.071 0.000 1.016 76 D CA -0.053 53.965 54.000 0.030 0.000 0.870 76 D CB -0.622 40.195 40.800 0.029 0.000 0.917 76 D HN 0.200 nan 8.370 nan 0.000 0.524 77 Y N 1.776 122.068 120.300 -0.013 0.000 2.632 77 Y HA -0.006 4.545 4.550 0.002 0.000 0.329 77 Y C 1.209 177.100 175.900 -0.015 0.000 1.174 77 Y CA 0.099 58.209 58.100 0.016 0.000 1.469 77 Y CB 0.107 38.577 38.460 0.015 0.000 1.242 77 Y HN -0.040 nan 8.280 nan 0.000 0.540 78 L N 3.886 124.830 121.223 -0.465 0.000 4.089 78 L HA -0.374 3.967 4.340 0.002 0.000 0.408 78 L C 0.687 177.433 176.870 -0.206 0.000 1.184 78 L CA 0.827 55.437 54.840 -0.383 0.000 0.947 78 L CB -1.306 40.520 42.059 -0.388 0.000 2.066 78 L HN 0.812 nan 8.230 nan 0.000 0.851 79 N N -0.294 118.321 118.700 -0.141 0.000 2.314 79 N HA 0.044 4.785 4.740 0.002 0.000 0.200 79 N C 0.336 175.790 175.510 -0.093 0.000 1.135 79 N CA 0.710 53.699 53.050 -0.102 0.000 0.835 79 N CB 0.228 38.674 38.487 -0.068 0.000 0.989 79 N HN 0.573 nan 8.380 nan 0.000 0.478 80 T N -4.363 110.119 114.554 -0.121 0.000 2.843 80 T HA 0.371 4.723 4.350 0.002 0.000 0.302 80 T C 0.324 174.924 174.700 -0.167 0.000 1.232 80 T CA -0.742 61.298 62.100 -0.100 0.000 1.009 80 T CB 1.133 69.963 68.868 -0.062 0.000 1.254 80 T HN -0.222 nan 8.240 nan 0.000 0.504 81 N N 0.662 119.289 118.700 -0.120 0.000 2.084 81 N HA -0.054 4.687 4.740 0.002 0.000 0.190 81 N C 1.391 176.805 175.510 -0.159 0.000 1.030 81 N CA 1.645 54.592 53.050 -0.172 0.000 0.849 81 N CB -0.449 38.089 38.487 0.084 0.000 1.012 81 N HN 0.846 nan 8.380 nan 0.000 0.423 82 D N 0.304 120.669 120.400 -0.058 0.000 2.144 82 D HA -0.091 4.550 4.640 0.002 0.000 0.199 82 D C 1.465 177.727 176.300 -0.063 0.000 0.984 82 D CA 1.194 55.178 54.000 -0.027 0.000 0.834 82 D CB 0.152 40.951 40.800 -0.002 0.000 0.955 82 D HN 0.196 nan 8.370 nan 0.000 0.465 83 K N -0.139 120.195 120.400 -0.110 0.000 2.062 83 K HA -0.055 4.266 4.320 0.002 0.000 0.205 83 K C 2.189 178.693 176.600 -0.159 0.000 1.051 83 K CA 0.839 57.047 56.287 -0.130 0.000 0.941 83 K CB 0.073 32.464 32.500 -0.181 0.000 0.719 83 K HN 0.091 nan 8.250 nan 0.000 0.440 84 K N 0.854 121.080 120.400 -0.291 0.000 2.057 84 K HA -0.143 4.178 4.320 0.002 0.000 0.207 84 K C 1.989 178.481 176.600 -0.180 0.000 1.049 84 K CA 1.175 57.232 56.287 -0.384 0.000 0.931 84 K CB -0.172 31.738 32.500 -0.983 0.000 0.714 84 K HN 0.221 nan 8.250 nan 0.000 0.440 85 N N 1.292 119.908 118.700 -0.141 0.000 2.142 85 N HA -0.135 4.606 4.740 0.002 0.000 0.186 85 N C 1.850 177.393 175.510 0.055 0.000 1.023 85 N CA 0.867 53.941 53.050 0.042 0.000 0.852 85 N CB 0.063 38.610 38.487 0.101 0.000 0.998 85 N HN 0.122 nan 8.380 nan 0.000 0.424 86 I N 0.352 120.946 120.570 0.040 0.000 2.163 86 I HA -0.276 3.895 4.170 0.002 0.000 0.243 86 I C 2.208 178.378 176.117 0.088 0.000 1.085 86 I CA 1.031 62.363 61.300 0.053 0.000 1.347 86 I CB -0.474 37.552 38.000 0.044 0.000 1.044 86 I HN 0.111 nan 8.210 nan 0.000 0.408 87 F N 1.612 121.547 119.950 -0.025 0.000 2.091 87 F HA -0.263 4.265 4.527 0.002 0.000 0.299 87 F C 2.288 178.125 175.800 0.061 0.000 1.103 87 F CA 1.720 59.740 58.000 0.034 0.000 1.228 87 F CB -0.224 38.779 39.000 0.006 0.000 0.984 87 F HN -0.102 nan 8.300 nan 0.000 0.477 88 L N -0.275 121.047 121.223 0.165 0.000 1.989 88 L HA -0.266 4.075 4.340 0.002 0.000 0.211 88 L C 2.660 179.523 176.870 -0.011 0.000 1.071 88 L CA 1.278 56.161 54.840 0.073 0.000 0.749 88 L CB -0.905 41.176 42.059 0.037 0.000 0.890 88 L HN 0.171 nan 8.230 nan 0.000 0.431 89 Q N -0.587 119.210 119.800 -0.004 0.000 2.135 89 Q HA -0.166 4.175 4.340 0.002 0.000 0.204 89 Q C 2.159 178.141 176.000 -0.031 0.000 0.981 89 Q CA 1.965 57.752 55.803 -0.026 0.000 0.856 89 Q CB -0.948 27.790 28.738 -0.000 0.000 0.902 89 Q HN 0.494 nan 8.270 nan 0.000 0.425 90 T N 1.113 115.639 114.554 -0.047 0.000 2.777 90 T HA -0.057 4.295 4.350 0.002 0.000 0.266 90 T C 1.820 176.497 174.700 -0.039 0.000 1.040 90 T CA 0.980 63.051 62.100 -0.048 0.000 1.141 90 T CB -0.023 68.799 68.868 -0.077 0.000 0.868 90 T HN 0.118 nan 8.240 nan 0.000 0.444 91 M N 0.791 120.323 119.600 -0.113 0.000 2.117 91 M HA 0.061 4.542 4.480 0.002 0.000 0.262 91 M C 2.313 178.675 176.300 0.104 0.000 1.065 91 M CA 1.266 56.564 55.300 -0.003 0.000 1.114 91 M CB -1.247 31.304 32.600 -0.082 0.000 1.361 91 M HN 0.272 nan 8.290 nan 0.000 0.408 92 I N -0.189 120.371 120.570 -0.016 0.000 2.208 92 I HA -0.335 3.836 4.170 0.002 0.000 0.245 92 I C 2.581 178.725 176.117 0.045 0.000 1.097 92 I CA 1.318 62.590 61.300 -0.046 0.000 1.363 92 I CB -0.459 37.447 38.000 -0.157 0.000 1.051 92 I HN 0.344 nan 8.210 nan 0.000 0.413 93 K N 1.249 121.679 120.400 0.051 0.000 2.057 93 K HA -0.135 4.186 4.320 0.002 0.000 0.206 93 K C 2.166 178.844 176.600 0.130 0.000 1.050 93 K CA 1.142 57.478 56.287 0.081 0.000 0.935 93 K CB 0.008 32.564 32.500 0.092 0.000 0.715 93 K HN 0.254 nan 8.250 nan 0.000 0.439 94 L N -0.137 121.178 121.223 0.153 0.000 2.017 94 L HA -0.163 4.178 4.340 0.002 0.000 0.208 94 L C 2.286 179.197 176.870 0.067 0.000 1.073 94 L CA 1.192 56.109 54.840 0.128 0.000 0.745 94 L CB -0.517 41.602 42.059 0.099 0.000 0.894 94 L HN 0.127 nan 8.230 nan 0.000 0.432 95 F N 0.589 120.520 119.950 -0.032 0.000 2.171 95 F HA -0.193 4.335 4.527 0.002 0.000 0.300 95 F C 2.534 178.322 175.800 -0.020 0.000 1.090 95 F CA 1.250 59.224 58.000 -0.043 0.000 1.293 95 F CB -0.528 38.437 39.000 -0.058 0.000 1.013 95 F HN 0.147 nan 8.300 nan 0.000 0.486 96 N N 0.060 118.856 118.700 0.160 0.000 2.120 96 N HA -0.181 4.561 4.740 0.002 0.000 0.188 96 N C 2.060 177.609 175.510 0.065 0.000 1.024 96 N CA 1.014 54.115 53.050 0.084 0.000 0.852 96 N CB -0.422 38.094 38.487 0.048 0.000 1.003 96 N HN 0.254 nan 8.380 nan 0.000 0.424 97 R N 0.944 121.483 120.500 0.065 0.000 2.096 97 R HA 0.018 4.359 4.340 0.002 0.000 0.235 97 R C 2.192 178.570 176.300 0.129 0.000 1.127 97 R CA 0.842 56.982 56.100 0.066 0.000 0.968 97 R CB -0.179 30.154 30.300 0.056 0.000 0.861 97 R HN 0.165 nan 8.270 nan 0.000 0.440 98 I N 1.524 122.125 120.570 0.052 0.000 2.142 98 I HA -0.296 3.875 4.170 0.002 0.000 0.240 98 I C 2.106 178.304 176.117 0.135 0.000 1.078 98 I CA 1.802 63.115 61.300 0.022 0.000 1.343 98 I CB -0.269 37.619 38.000 -0.186 0.000 1.046 98 I HN 0.268 nan 8.210 nan 0.000 0.405 99 K N 0.973 121.423 120.400 0.083 0.000 2.525 99 K HA -0.002 4.319 4.320 0.002 0.000 0.192 99 K C 1.804 178.446 176.600 0.071 0.000 1.029 99 K CA 1.074 57.410 56.287 0.081 0.000 1.029 99 K CB -0.250 32.286 32.500 0.061 0.000 0.814 99 K HN 0.277 nan 8.250 nan 0.000 0.503 100 S N 0.357 116.104 115.700 0.079 0.000 2.465 100 S HA -0.097 4.374 4.470 0.002 0.000 0.241 100 S C 0.426 174.998 174.600 -0.045 0.000 1.000 100 S CA 0.404 58.616 58.200 0.019 0.000 0.964 100 S CB -0.213 62.998 63.200 0.018 0.000 0.763 100 S HN 0.331 nan 8.310 nan 0.000 0.512 101 K N 0.658 121.033 120.400 -0.042 0.000 2.375 101 K HA 0.398 4.719 4.320 0.002 0.000 0.249 101 K C -2.417 174.175 176.600 -0.013 0.000 0.942 101 K CA -2.571 53.621 56.287 -0.157 0.000 0.806 101 K CB 1.893 34.036 32.500 -0.595 0.000 1.227 101 K HN -0.219 nan 8.250 nan 0.000 0.430 102 P HA -0.237 nan 4.420 nan 0.000 0.215 102 P C 1.277 178.630 177.300 0.087 0.000 1.163 102 P CA 0.941 64.055 63.100 0.024 0.000 0.894 102 P CB 0.196 31.896 31.700 0.000 0.000 0.791 103 L N -0.358 120.929 121.223 0.106 0.000 2.013 103 L HA -0.134 4.207 4.340 0.002 0.000 0.212 103 L C 2.228 179.276 176.870 0.296 0.000 1.073 103 L CA 2.611 57.570 54.840 0.198 0.000 0.753 103 L CB -1.643 40.546 42.059 0.216 0.000 0.890 103 L HN -0.016 nan 8.230 nan 0.000 0.432 104 G N -1.554 107.450 108.800 0.340 0.000 2.394 104 G HA2 -0.272 3.689 3.960 0.002 0.000 0.215 104 G HA3 -0.272 3.689 3.960 0.002 0.000 0.215 104 G C 1.477 176.442 174.900 0.109 0.000 1.165 104 G CA 0.623 45.859 45.100 0.226 0.000 0.784 104 G HN 0.561 nan 8.290 nan 0.000 0.535 105 E N 0.495 120.764 120.200 0.115 0.000 2.085 105 E HA -0.161 4.190 4.350 0.002 0.000 0.194 105 E C 2.320 178.952 176.600 0.054 0.000 0.994 105 E CA 1.105 57.544 56.400 0.065 0.000 0.801 105 E CB -0.105 29.628 29.700 0.056 0.000 0.743 105 E HN 0.367 nan 8.360 nan 0.000 0.453 106 K N 0.160 120.621 120.400 0.100 0.000 2.057 106 K HA -0.160 4.161 4.320 0.002 0.000 0.207 106 K C 2.290 178.903 176.600 0.021 0.000 1.049 106 K CA 1.023 57.379 56.287 0.115 0.000 0.931 106 K CB -0.245 32.390 32.500 0.225 0.000 0.714 106 K HN 0.155 nan 8.250 nan 0.000 0.440 107 L N 1.762 122.959 121.223 -0.043 0.000 2.012 107 L HA -0.188 4.153 4.340 0.002 0.000 0.210 107 L C 1.927 178.629 176.870 -0.281 0.000 1.073 107 L CA 1.587 56.151 54.840 -0.460 0.000 0.748 107 L CB -0.466 41.347 42.059 -0.410 0.000 0.891 107 L HN 0.129 nan 8.230 nan 0.000 0.431 108 L N -0.740 120.400 121.223 -0.138 0.000 2.017 108 L HA -0.230 4.111 4.340 0.002 0.000 0.208 108 L C 2.578 179.421 176.870 -0.045 0.000 1.073 108 L CA 1.707 56.503 54.840 -0.073 0.000 0.745 108 L CB -0.608 41.446 42.059 -0.008 0.000 0.894 108 L HN 0.362 nan 8.230 nan 0.000 0.432 109 E N -0.540 119.642 120.200 -0.029 0.000 2.077 109 E HA -0.242 4.110 4.350 0.002 0.000 0.193 109 E C 2.322 178.910 176.600 -0.019 0.000 0.989 109 E CA 1.197 57.589 56.400 -0.014 0.000 0.800 109 E CB -0.069 29.634 29.700 0.005 0.000 0.746 109 E HN 0.356 nan 8.360 nan 0.000 0.452 110 M N 0.269 119.843 119.600 -0.044 0.000 2.080 110 M HA -0.167 4.314 4.480 0.002 0.000 0.260 110 M C 2.380 178.706 176.300 0.043 0.000 1.068 110 M CA 1.423 56.716 55.300 -0.013 0.000 1.109 110 M CB -0.765 31.742 32.600 -0.155 0.000 1.342 110 M HN 0.177 nan 8.290 nan 0.000 0.405 111 I N -0.204 120.345 120.570 -0.035 0.000 2.226 111 I HA -0.299 3.872 4.170 0.002 0.000 0.245 111 I C 2.351 178.466 176.117 -0.003 0.000 1.100 111 I CA 1.118 62.415 61.300 -0.005 0.000 1.374 111 I CB -0.310 37.659 38.000 -0.053 0.000 1.057 111 I HN 0.194 nan 8.210 nan 0.000 0.413 112 I N 0.839 121.402 120.570 -0.012 0.000 2.226 112 I HA -0.295 3.876 4.170 0.002 0.000 0.245 112 I C 1.892 177.982 176.117 -0.045 0.000 1.100 112 I CA 1.363 62.652 61.300 -0.019 0.000 1.374 112 I CB -0.430 37.558 38.000 -0.020 0.000 1.057 112 I HN 0.322 nan 8.210 nan 0.000 0.413 113 N N 0.833 119.503 118.700 -0.050 0.000 2.463 113 N HA -0.004 4.737 4.740 0.002 0.000 0.181 113 N C 1.335 176.753 175.510 -0.154 0.000 1.078 113 N CA 0.558 53.554 53.050 -0.092 0.000 0.902 113 N CB 0.083 38.529 38.487 -0.068 0.000 0.970 113 N HN 0.278 nan 8.380 nan 0.000 0.451 114 G N 2.093 110.795 108.800 -0.163 0.000 3.455 114 G HA2 0.193 4.154 3.960 0.002 0.000 0.250 114 G HA3 0.193 4.154 3.960 0.002 0.000 0.250 114 G C 0.638 175.360 174.900 -0.296 0.000 1.071 114 G CA -0.447 44.396 45.100 -0.428 0.000 1.812 114 G HN 0.303 nan 8.290 nan 0.000 0.643 115 I N -1.681 118.777 120.570 -0.187 0.000 2.775 115 I HA 0.260 4.431 4.170 0.002 0.000 0.290 115 I C -2.343 173.795 176.117 0.035 0.000 1.203 115 I CA -1.837 59.415 61.300 -0.080 0.000 1.433 115 I CB 0.382 38.297 38.000 -0.141 0.000 1.354 115 I HN -0.094 nan 8.210 nan 0.000 0.579 116 P HA -0.001 nan 4.420 nan 0.000 0.267 116 P C -0.884 176.576 177.300 0.266 0.000 1.200 116 P CA 0.168 63.361 63.100 0.156 0.000 0.772 116 P CB 0.250 32.037 31.700 0.146 0.000 0.855 117 Y N 2.810 123.159 120.300 0.082 0.000 2.550 117 Y HA 0.045 4.596 4.550 0.002 0.000 0.343 117 Y C 0.406 176.345 175.900 0.065 0.000 1.245 117 Y CA 0.183 58.181 58.100 -0.170 0.000 1.462 117 Y CB 0.195 38.540 38.460 -0.193 0.000 1.340 117 Y HN 0.166 nan 8.280 nan 0.000 0.604 118 L N 6.559 127.536 121.223 -0.409 0.000 2.395 118 L HA 0.406 4.747 4.340 0.002 0.000 0.268 118 L C 0.575 177.489 176.870 0.073 0.000 1.223 118 L CA 0.333 55.043 54.840 -0.216 0.000 1.093 118 L CB -1.246 40.485 42.059 -0.547 0.000 1.349 118 L HN 0.930 nan 8.230 nan 0.000 0.427 119 G N 1.751 110.649 108.800 0.164 0.000 2.357 119 G HA2 0.193 4.154 3.960 0.002 0.000 0.289 119 G HA3 0.193 4.154 3.960 0.002 0.000 0.289 119 G C -1.919 172.835 174.900 -0.245 0.000 1.302 119 G CA -0.204 44.941 45.100 0.074 0.000 0.936 119 G HN 0.494 nan 8.290 nan 0.000 0.513 120 D N -2.554 117.498 120.400 -0.581 0.000 3.009 120 D HA 0.375 5.016 4.640 0.002 0.000 0.318 120 D C 1.631 177.259 176.300 -1.120 0.000 1.273 120 D CA 0.048 53.257 54.000 -1.319 0.000 1.001 120 D CB -0.195 40.243 40.800 -0.604 0.000 1.411 120 D HN 0.763 nan 8.370 nan 0.000 0.577 121 R N 0.117 120.195 120.500 -0.703 0.000 2.105 121 R HA -0.025 4.316 4.340 0.002 0.000 0.239 121 R C 1.656 177.864 176.300 -0.152 0.000 1.135 121 R CA 1.080 57.056 56.100 -0.205 0.000 0.967 121 R CB -0.462 29.759 30.300 -0.132 0.000 0.861 121 R HN 0.260 nan 8.270 nan 0.000 0.442 122 R N 1.077 121.475 120.500 -0.170 0.000 2.189 122 R HA 0.090 4.431 4.340 0.002 0.000 0.218 122 R C 0.372 176.626 176.300 -0.077 0.000 1.074 122 R CA 0.565 56.604 56.100 -0.101 0.000 0.991 122 R CB -0.038 30.210 30.300 -0.086 0.000 0.883 122 R HN 0.007 nan 8.270 nan 0.000 0.457 123 V N 3.284 123.140 119.914 -0.096 0.000 2.637 123 V HA 0.081 4.202 4.120 0.002 0.000 0.296 123 V C -1.988 174.103 176.094 -0.005 0.000 1.046 123 V CA -1.551 60.726 62.300 -0.038 0.000 1.066 123 V CB 0.852 32.668 31.823 -0.012 0.000 0.968 123 V HN 0.015 nan 8.190 nan 0.000 0.483 124 P HA 0.139 nan 4.420 nan 0.000 0.268 124 P C 1.009 178.318 177.300 0.015 0.000 1.205 124 P CA -0.090 63.012 63.100 0.003 0.000 0.771 124 P CB 0.454 32.152 31.700 -0.003 0.000 0.858 125 L N 1.787 123.013 121.223 0.006 0.000 2.127 125 L HA -0.204 4.137 4.340 0.002 0.000 0.211 125 L C 1.379 178.238 176.870 -0.019 0.000 1.089 125 L CA 1.685 56.527 54.840 0.003 0.000 0.757 125 L CB -0.780 41.271 42.059 -0.014 0.000 0.899 125 L HN 0.411 nan 8.230 nan 0.000 0.434 126 E N -0.191 119.991 120.200 -0.030 0.000 2.502 126 E HA 0.030 4.381 4.350 0.002 0.000 0.194 126 E C -0.095 176.448 176.600 -0.096 0.000 1.062 126 E CA 0.280 56.645 56.400 -0.060 0.000 0.867 126 E CB 0.136 29.812 29.700 -0.040 0.000 0.888 126 E HN 0.539 nan 8.360 nan 0.000 0.510 127 E N -0.459 119.701 120.200 -0.066 0.000 2.336 127 E HA 0.430 4.781 4.350 0.002 0.000 0.267 127 E C -0.835 175.773 176.600 0.013 0.000 0.906 127 E CA -0.734 55.631 56.400 -0.057 0.000 0.781 127 E CB 1.666 31.371 29.700 0.008 0.000 1.261 127 E HN -0.036 nan 8.360 nan 0.000 0.436 128 F N 1.569 121.529 119.950 0.016 0.000 2.444 128 F HA 0.335 4.863 4.527 0.002 0.000 0.342 128 F C 0.212 175.989 175.800 -0.039 0.000 1.121 128 F CA -0.901 57.072 58.000 -0.044 0.000 0.997 128 F CB 1.450 40.368 39.000 -0.136 0.000 1.130 128 F HN 0.294 nan 8.300 nan 0.000 0.454 129 N N 1.775 120.580 118.700 0.174 0.000 2.491 129 N HA 0.121 4.862 4.740 0.002 0.000 0.274 129 N C 0.371 175.912 175.510 0.052 0.000 1.023 129 N CA -0.350 52.747 53.050 0.079 0.000 0.902 129 N CB 1.546 40.060 38.487 0.045 0.000 1.267 129 N HN 0.644 nan 8.380 nan 0.000 0.503 130 T N -0.181 114.403 114.554 0.049 0.000 3.081 130 T HA 0.055 4.406 4.350 0.002 0.000 0.255 130 T C 0.828 175.536 174.700 0.013 0.000 1.113 130 T CA 0.241 62.394 62.100 0.088 0.000 1.082 130 T CB -0.173 68.784 68.868 0.148 0.000 0.939 130 T HN 0.289 nan 8.240 nan 0.000 0.506 131 N N 2.400 121.083 118.700 -0.028 0.000 2.878 131 N HA 0.221 4.962 4.740 0.002 0.000 0.282 131 N C -0.309 175.148 175.510 -0.090 0.000 1.284 131 N CA -0.647 52.353 53.050 -0.082 0.000 1.053 131 N CB -0.811 37.621 38.487 -0.091 0.000 1.382 131 N HN 0.773 nan 8.380 nan 0.000 0.529 132 I N -4.123 116.410 120.570 -0.060 0.000 2.730 132 I HA 0.571 4.742 4.170 0.002 0.000 0.298 132 I C 0.725 176.820 176.117 -0.036 0.000 1.089 132 I CA -1.261 60.007 61.300 -0.054 0.000 1.041 132 I CB 1.752 39.729 38.000 -0.038 0.000 1.235 132 I HN -0.204 nan 8.210 nan 0.000 0.423 133 A N 3.027 125.832 122.820 -0.024 0.000 2.259 133 A HA -0.072 4.249 4.320 0.002 0.000 0.212 133 A C 1.792 179.389 177.584 0.021 0.000 1.178 133 A CA 1.589 53.630 52.037 0.007 0.000 0.734 133 A CB -0.840 18.190 19.000 0.050 0.000 0.774 133 A HN 0.921 nan 8.150 nan 0.000 0.481 134 S N -2.167 113.553 115.700 0.034 0.000 2.540 134 S HA 0.248 4.719 4.470 0.002 0.000 0.218 134 S C 1.034 175.688 174.600 0.089 0.000 0.977 134 S CA 0.621 58.858 58.200 0.063 0.000 0.918 134 S CB 0.314 63.558 63.200 0.073 0.000 0.806 134 S HN 0.181 nan 8.310 nan 0.000 0.496 135 V N 0.548 120.517 119.914 0.091 0.000 2.996 135 V HA 0.261 4.382 4.120 0.002 0.000 0.235 135 V C 0.573 176.789 176.094 0.202 0.000 1.205 135 V CA 0.746 63.149 62.300 0.172 0.000 1.225 135 V CB 0.254 32.186 31.823 0.183 0.000 0.995 135 V HN 0.428 nan 8.190 nan 0.000 0.484 136 T N 0.819 115.412 114.554 0.066 0.000 2.856 136 T HA 0.693 5.044 4.350 0.002 0.000 0.283 136 T C -1.120 173.548 174.700 -0.053 0.000 1.008 136 T CA -0.192 61.882 62.100 -0.044 0.000 0.997 136 T CB 2.619 71.394 68.868 -0.155 0.000 0.992 136 T HN 0.031 nan 8.240 nan 0.000 0.454 137 V N 3.128 122.995 119.914 -0.080 0.000 2.789 137 V HA 0.554 4.675 4.120 0.002 0.000 0.311 137 V C -1.185 174.857 176.094 -0.087 0.000 1.073 137 V CA -0.901 61.355 62.300 -0.073 0.000 0.921 137 V CB 2.171 33.923 31.823 -0.117 0.000 1.009 137 V HN 0.829 nan 8.190 nan 0.000 0.426 138 N N 4.137 122.832 118.700 -0.010 0.000 2.489 138 N HA 0.541 5.282 4.740 0.002 0.000 0.284 138 N C -1.054 174.465 175.510 0.014 0.000 1.158 138 N CA -0.526 52.534 53.050 0.017 0.000 0.965 138 N CB 1.663 40.235 38.487 0.140 0.000 1.195 138 N HN 0.768 nan 8.380 nan 0.000 0.506 139 K N -0.365 120.026 120.400 -0.015 0.000 2.378 139 K HA 0.477 4.798 4.320 0.002 0.000 0.252 139 K C -1.189 175.370 176.600 -0.069 0.000 0.931 139 K CA -0.885 55.372 56.287 -0.050 0.000 0.794 139 K CB 1.696 34.107 32.500 -0.148 0.000 1.181 139 K HN 0.209 nan 8.250 nan 0.000 0.425 140 L N 4.841 125.954 121.223 -0.184 0.000 2.283 140 L HA 0.175 4.516 4.340 0.002 0.000 0.287 140 L C 0.473 177.205 176.870 -0.229 0.000 1.073 140 L CA -0.395 54.240 54.840 -0.342 0.000 0.822 140 L CB 0.423 41.984 42.059 -0.830 0.000 1.186 140 L HN 0.832 nan 8.230 nan 0.000 0.436 141 I N 1.806 122.280 120.570 -0.161 0.000 2.584 141 I HA -0.017 4.154 4.170 0.002 0.000 0.255 141 I C 1.483 177.527 176.117 -0.121 0.000 1.145 141 I CA 0.514 61.742 61.300 -0.120 0.000 1.462 141 I CB -0.933 37.016 38.000 -0.084 0.000 1.102 141 I HN 0.734 nan 8.210 nan 0.000 0.433 142 S N 1.952 117.571 115.700 -0.134 0.000 2.540 142 S HA -0.081 4.390 4.470 0.002 0.000 0.272 142 S C 0.539 175.070 174.600 -0.116 0.000 1.357 142 S CA -0.020 58.110 58.200 -0.118 0.000 1.011 142 S CB 0.116 63.239 63.200 -0.128 0.000 0.852 142 S HN 0.339 nan 8.310 nan 0.000 0.535 143 N N 2.520 121.167 118.700 -0.089 0.000 2.530 143 N HA 0.255 4.996 4.740 0.002 0.000 0.277 143 N C -2.762 172.699 175.510 -0.082 0.000 1.168 143 N CA -1.331 51.673 53.050 -0.077 0.000 0.979 143 N CB 0.342 38.795 38.487 -0.056 0.000 1.141 143 N HN 0.405 nan 8.380 nan 0.000 0.459 144 P HA 0.086 nan 4.420 nan 0.000 0.257 144 P C 0.488 177.756 177.300 -0.054 0.000 1.269 144 P CA 0.554 63.612 63.100 -0.071 0.000 1.122 144 P CB -0.096 31.568 31.700 -0.059 0.000 1.285 145 G N 1.931 110.699 108.800 -0.055 0.000 4.248 145 G HA2 -0.009 3.952 3.960 0.002 0.000 0.218 145 G HA3 -0.009 3.952 3.960 0.002 0.000 0.218 145 G C -0.459 174.417 174.900 -0.039 0.000 0.790 145 G CA -0.334 44.742 45.100 -0.040 0.000 0.844 145 G HN 0.493 nan 8.290 nan 0.000 0.588 146 E N 0.012 120.180 120.200 -0.053 0.000 2.388 146 E HA 0.356 4.708 4.350 0.002 0.000 0.280 146 E C -0.157 176.396 176.600 -0.078 0.000 1.019 146 E CA -0.233 56.138 56.400 -0.049 0.000 0.806 146 E CB 1.012 30.689 29.700 -0.039 0.000 1.246 146 E HN 0.772 nan 8.360 nan 0.000 0.443 147 V N -0.726 119.152 119.914 -0.060 0.000 3.189 147 V HA 0.116 4.237 4.120 0.002 0.000 0.366 147 V C 1.550 177.609 176.094 -0.057 0.000 1.313 147 V CA 0.850 63.097 62.300 -0.089 0.000 1.302 147 V CB -1.004 30.820 31.823 0.000 0.000 1.260 147 V HN 0.752 nan 8.190 nan 0.000 0.484 148 E N 2.036 122.203 120.200 -0.055 0.000 2.065 148 E HA -0.232 4.119 4.350 0.002 0.000 0.201 148 E C 0.883 177.461 176.600 -0.038 0.000 1.016 148 E CA 1.273 57.651 56.400 -0.038 0.000 0.818 148 E CB -0.174 29.503 29.700 -0.039 0.000 0.749 148 E HN 0.699 nan 8.360 nan 0.000 0.453 149 R N 1.502 121.965 120.500 -0.061 0.000 2.337 149 R HA 0.329 4.670 4.340 0.002 0.000 0.319 149 R C -0.912 175.345 176.300 -0.070 0.000 0.954 149 R CA -0.608 55.459 56.100 -0.055 0.000 0.840 149 R CB 1.550 31.817 30.300 -0.055 0.000 1.164 149 R HN 0.187 nan 8.270 nan 0.000 0.472 150 K N 1.565 121.943 120.400 -0.038 0.000 2.259 150 K HA 0.550 4.871 4.320 0.002 0.000 0.252 150 K C -0.973 175.611 176.600 -0.026 0.000 0.936 150 K CA -1.118 55.153 56.287 -0.026 0.000 0.810 150 K CB 2.357 34.886 32.500 0.047 0.000 1.143 150 K HN 0.117 nan 8.250 nan 0.000 0.427 151 K N 1.003 121.378 120.400 -0.041 0.000 2.316 151 K HA 0.454 4.775 4.320 0.002 0.000 0.251 151 K C -0.784 175.769 176.600 -0.078 0.000 0.934 151 K CA -0.522 55.729 56.287 -0.060 0.000 0.802 151 K CB 2.078 34.539 32.500 -0.064 0.000 1.171 151 K HN 0.847 nan 8.250 nan 0.000 0.426 152 G N 3.202 111.932 108.800 -0.116 0.000 2.389 152 G HA2 0.635 4.596 3.960 0.002 0.000 0.317 152 G HA3 0.635 4.596 3.960 0.002 0.000 0.317 152 G C -0.679 174.078 174.900 -0.238 0.000 1.137 152 G CA -0.686 44.311 45.100 -0.173 0.000 0.870 152 G HN 0.717 nan 8.290 nan 0.000 0.496 153 I N -1.859 118.556 120.570 -0.259 0.000 2.994 153 I HA 0.695 4.866 4.170 0.002 0.000 0.306 153 I C -1.292 174.674 176.117 -0.252 0.000 1.195 153 I CA -1.470 59.681 61.300 -0.249 0.000 1.001 153 I CB 2.302 40.256 38.000 -0.077 0.000 1.244 153 I HN 0.332 nan 8.210 nan 0.000 0.437 154 F N 2.571 122.550 119.950 0.049 0.000 2.379 154 F HA 0.815 5.343 4.527 0.002 0.000 0.332 154 F C 0.670 176.537 175.800 0.112 0.000 1.096 154 F CA -0.366 57.669 58.000 0.059 0.000 1.105 154 F CB 1.826 40.866 39.000 0.067 0.000 1.189 154 F HN 0.755 nan 8.300 nan 0.000 0.515 155 A N 2.261 125.267 122.820 0.311 0.000 2.594 155 A HA 0.532 4.854 4.320 0.002 0.000 0.295 155 A C -0.610 177.098 177.584 0.207 0.000 1.071 155 A CA -0.768 51.440 52.037 0.284 0.000 0.685 155 A CB 1.380 20.523 19.000 0.239 0.000 1.285 155 A HN 0.672 nan 8.150 nan 0.000 0.405 156 N N -0.632 118.181 118.700 0.188 0.000 2.545 156 N HA 0.278 5.019 4.740 0.002 0.000 0.190 156 N C -0.501 175.086 175.510 0.129 0.000 1.043 156 N CA 0.673 53.798 53.050 0.126 0.000 0.879 156 N CB 0.350 38.884 38.487 0.079 0.000 1.210 156 N HN 0.555 nan 8.380 nan 0.000 0.437 157 L N 0.690 122.010 121.223 0.162 0.000 2.464 157 L HA 0.569 4.910 4.340 0.002 0.000 0.266 157 L C -1.789 175.196 176.870 0.191 0.000 0.965 157 L CA -0.503 54.430 54.840 0.154 0.000 0.833 157 L CB 1.753 43.891 42.059 0.131 0.000 1.296 157 L HN -0.062 nan 8.230 nan 0.000 0.405 158 I N 6.096 126.750 120.570 0.139 0.000 2.418 158 I HA 0.457 4.628 4.170 0.002 0.000 0.287 158 I C -0.723 175.417 176.117 0.039 0.000 1.008 158 I CA -0.437 60.899 61.300 0.060 0.000 1.104 158 I CB 1.783 39.739 38.000 -0.073 0.000 1.264 158 I HN 0.477 nan 8.210 nan 0.000 0.438 159 I N 6.201 126.794 120.570 0.039 0.000 2.362 159 I HA 0.402 4.573 4.170 0.002 0.000 0.289 159 I C -0.568 175.640 176.117 0.153 0.000 0.994 159 I CA -0.321 61.088 61.300 0.181 0.000 1.158 159 I CB 1.058 39.217 38.000 0.265 0.000 1.315 159 I HN 0.356 nan 8.210 nan 0.000 0.451 160 F N 2.971 123.146 119.950 0.374 0.000 2.525 160 F HA 0.671 5.199 4.527 0.002 0.000 0.346 160 F C 1.224 177.227 175.800 0.338 0.000 1.072 160 F CA -0.389 57.818 58.000 0.346 0.000 1.033 160 F CB 0.693 39.956 39.000 0.439 0.000 1.324 160 F HN 0.364 nan 8.300 nan 0.000 0.491 161 G N -0.126 108.883 108.800 0.349 0.000 2.563 161 G HA2 0.458 4.419 3.960 0.002 0.000 0.283 161 G HA3 0.458 4.419 3.960 0.002 0.000 0.283 161 G C -2.696 172.386 174.900 0.304 0.000 1.309 161 G CA -1.368 43.813 45.100 0.134 0.000 1.022 161 G HN 0.332 nan 8.290 nan 0.000 0.501 162 P HA 0.169 nan 4.420 nan 0.000 0.272 162 P C 0.555 177.895 177.300 0.067 0.000 1.230 162 P CA 0.072 63.224 63.100 0.086 0.000 0.788 162 P CB 1.007 32.672 31.700 -0.058 0.000 0.949 163 G N 1.168 109.880 108.800 -0.147 0.000 2.504 163 G HA2 0.222 4.183 3.960 0.002 0.000 0.257 163 G HA3 0.222 4.183 3.960 0.002 0.000 0.257 163 G C -1.639 172.842 174.900 -0.699 0.000 1.451 163 G CA -0.985 43.882 45.100 -0.388 0.000 1.059 163 G HN 0.249 nan 8.290 nan 0.000 0.550 164 P HA -0.068 nan 4.420 nan 0.000 0.216 164 P C 0.489 177.254 177.300 -0.892 0.000 1.154 164 P CA 0.778 63.084 63.100 -1.322 0.000 0.865 164 P CB 0.048 31.077 31.700 -1.118 0.000 0.789 165 V N 1.288 120.690 119.914 -0.852 0.000 2.353 165 V HA 0.046 4.167 4.120 0.002 0.000 0.264 165 V C 1.809 177.607 176.094 -0.492 0.000 1.049 165 V CA -0.035 61.802 62.300 -0.773 0.000 0.896 165 V CB 0.239 31.737 31.823 -0.542 0.000 1.025 165 V HN 0.025 nan 8.190 nan 0.000 0.475 166 L N 3.803 124.755 121.223 -0.452 0.000 2.021 166 L HA -0.184 4.157 4.340 0.002 0.000 0.215 166 L C 2.174 178.904 176.870 -0.234 0.000 1.074 166 L CA 1.903 56.525 54.840 -0.363 0.000 0.760 166 L CB -0.526 41.244 42.059 -0.482 0.000 0.889 166 L HN 0.910 nan 8.230 nan 0.000 0.433 167 N N 0.117 118.725 118.700 -0.153 0.000 2.434 167 N HA -0.100 4.641 4.740 0.002 0.000 0.196 167 N C 0.177 175.632 175.510 -0.092 0.000 1.183 167 N CA 0.272 53.270 53.050 -0.086 0.000 0.849 167 N CB -0.135 38.342 38.487 -0.017 0.000 0.992 167 N HN 0.436 nan 8.380 nan 0.000 0.460 168 E N 1.027 121.144 120.200 -0.139 0.000 2.490 168 E HA 0.179 4.530 4.350 0.002 0.000 0.232 168 E C -0.656 175.891 176.600 -0.089 0.000 1.091 168 E CA -0.555 55.776 56.400 -0.116 0.000 1.050 168 E CB 0.120 29.718 29.700 -0.170 0.000 1.342 168 E HN 0.247 nan 8.360 nan 0.000 0.454 169 N N 2.616 121.305 118.700 -0.017 0.000 2.441 169 N HA 0.036 4.777 4.740 0.002 0.000 0.251 169 N C -0.127 175.438 175.510 0.092 0.000 1.242 169 N CA 0.656 53.754 53.050 0.080 0.000 0.898 169 N CB 1.018 39.624 38.487 0.199 0.000 1.100 169 N HN 0.468 nan 8.380 nan 0.000 0.443 170 E N -0.010 120.248 120.200 0.097 0.000 2.380 170 E HA 0.236 4.587 4.350 0.002 0.000 0.281 170 E C -1.636 175.007 176.600 0.072 0.000 0.999 170 E CA -0.580 55.857 56.400 0.063 0.000 0.800 170 E CB 1.270 30.951 29.700 -0.032 0.000 1.228 170 E HN 0.303 nan 8.360 nan 0.000 0.436 171 T N 3.977 118.568 114.554 0.062 0.000 2.771 171 T HA 0.534 4.885 4.350 0.002 0.000 0.281 171 T C -0.249 174.477 174.700 0.043 0.000 0.982 171 T CA -0.348 61.795 62.100 0.073 0.000 0.978 171 T CB 0.277 69.206 68.868 0.101 0.000 0.930 171 T HN 0.299 nan 8.240 nan 0.000 0.447 172 I N 3.802 124.436 120.570 0.106 0.000 2.530 172 I HA 0.449 4.620 4.170 0.002 0.000 0.297 172 I C -0.159 176.074 176.117 0.194 0.000 1.011 172 I CA -1.045 60.353 61.300 0.162 0.000 1.107 172 I CB 1.910 40.076 38.000 0.277 0.000 1.285 172 I HN 0.642 nan 8.210 nan 0.000 0.436 173 D N 5.814 126.343 120.400 0.215 0.000 2.392 173 D HA 0.487 5.128 4.640 0.002 0.000 0.246 173 D C -0.577 175.978 176.300 0.425 0.000 1.013 173 D CA -0.560 53.596 54.000 0.261 0.000 0.993 173 D CB 2.361 43.295 40.800 0.223 0.000 1.219 173 D HN 0.280 nan 8.370 nan 0.000 0.538 174 I N 0.383 121.181 120.570 0.380 0.000 2.325 174 I HA 0.359 4.530 4.170 0.002 0.000 0.291 174 I C 0.826 177.118 176.117 0.291 0.000 1.019 174 I CA -0.432 61.094 61.300 0.376 0.000 1.302 174 I CB 1.482 39.600 38.000 0.197 0.000 1.401 174 I HN 0.411 nan 8.210 nan 0.000 0.485 175 G N 7.381 116.247 108.800 0.110 0.000 2.379 175 G HA2 0.759 4.720 3.960 0.002 0.000 0.327 175 G HA3 0.759 4.720 3.960 0.002 0.000 0.327 175 G C -0.740 173.993 174.900 -0.279 0.000 1.145 175 G CA -0.406 44.329 45.100 -0.608 0.000 0.905 175 G HN 0.507 nan 8.290 nan 0.000 0.466 176 I N 1.172 121.575 120.570 -0.277 0.000 2.512 176 I HA 0.243 4.414 4.170 0.002 0.000 0.287 176 I C 0.080 176.125 176.117 -0.120 0.000 1.069 176 I CA -0.486 60.736 61.300 -0.131 0.000 1.056 176 I CB 2.153 40.114 38.000 -0.064 0.000 1.229 176 I HN 0.641 nan 8.210 nan 0.000 0.429 177 Q N 4.905 124.649 119.800 -0.094 0.000 2.451 177 Q HA -0.255 4.086 4.340 0.002 0.000 0.305 177 Q C 0.186 176.132 176.000 -0.091 0.000 1.345 177 Q CA 0.862 56.629 55.803 -0.059 0.000 0.854 177 Q CB -1.242 27.492 28.738 -0.007 0.000 1.162 177 Q HN 0.927 nan 8.270 nan 0.000 0.440 178 N N -1.596 116.985 118.700 -0.198 0.000 2.778 178 N HA -0.223 4.518 4.740 0.002 0.000 0.249 178 N C -0.459 174.771 175.510 -0.467 0.000 1.069 178 N CA 0.840 53.712 53.050 -0.296 0.000 0.831 178 N CB -0.503 37.847 38.487 -0.229 0.000 1.142 178 N HN 0.488 nan 8.380 nan 0.000 0.573 179 H N -0.770 118.118 119.070 -0.303 0.000 2.679 179 H HA 0.430 4.988 4.556 0.002 0.000 0.367 179 H C -0.878 174.196 175.328 -0.423 0.000 1.162 179 H CA -0.214 55.714 56.048 -0.201 0.000 1.181 179 H CB 0.913 30.642 29.762 -0.055 0.000 1.693 179 H HN -0.071 nan 8.280 nan 0.000 0.538 180 F N 0.470 120.556 119.950 0.227 0.000 2.403 180 F HA 0.309 4.837 4.527 0.002 0.000 0.355 180 F C 1.212 177.140 175.800 0.214 0.000 1.119 180 F CA -0.563 57.546 58.000 0.181 0.000 1.007 180 F CB 1.577 40.664 39.000 0.146 0.000 1.194 180 F HN 0.679 nan 8.300 nan 0.000 0.443 181 A N 1.648 124.654 122.820 0.309 0.000 1.940 181 A HA -0.183 4.138 4.320 0.002 0.000 0.219 181 A C 2.225 180.047 177.584 0.397 0.000 1.176 181 A CA 2.082 54.330 52.037 0.351 0.000 0.631 181 A CB -0.782 18.343 19.000 0.207 0.000 0.814 181 A HN 0.711 nan 8.150 nan 0.000 0.446 182 S N -0.913 114.993 115.700 0.344 0.000 2.603 182 S HA -0.006 4.465 4.470 0.002 0.000 0.229 182 S C 1.425 176.187 174.600 0.270 0.000 0.972 182 S CA 0.798 59.173 58.200 0.291 0.000 0.935 182 S CB -0.227 63.124 63.200 0.253 0.000 0.769 182 S HN 0.641 nan 8.310 nan 0.000 0.536 183 R N 0.362 121.042 120.500 0.301 0.000 2.437 183 R HA 0.290 4.631 4.340 0.002 0.000 0.257 183 R C 0.298 176.739 176.300 0.234 0.000 0.927 183 R CA 0.169 56.414 56.100 0.241 0.000 1.078 183 R CB 0.338 30.779 30.300 0.235 0.000 1.161 183 R HN 0.520 nan 8.270 nan 0.000 0.529 184 E N -0.164 120.194 120.200 0.264 0.000 2.887 184 E HA 0.208 4.559 4.350 0.002 0.000 0.206 184 E C 0.473 177.052 176.600 -0.034 0.000 0.983 184 E CA 0.159 56.668 56.400 0.182 0.000 1.141 184 E CB 1.522 31.394 29.700 0.288 0.000 1.061 184 E HN 0.362 nan 8.360 nan 0.000 0.468 185 G N 0.829 109.660 108.800 0.053 0.000 2.268 185 G HA2 -0.358 3.603 3.960 0.002 0.000 0.240 185 G HA3 -0.358 3.603 3.960 0.002 0.000 0.240 185 G C 0.727 175.525 174.900 -0.171 0.000 1.010 185 G CA 0.237 45.312 45.100 -0.041 0.000 0.618 185 G HN 0.308 nan 8.290 nan 0.000 0.516 186 F N 1.328 121.321 119.950 0.072 0.000 2.149 186 F HA 0.403 4.931 4.527 0.002 0.000 0.294 186 F C 2.077 177.962 175.800 0.143 0.000 1.095 186 F CA 2.013 60.047 58.000 0.056 0.000 1.276 186 F CB -0.430 38.598 39.000 0.047 0.000 1.023 186 F HN 1.154 nan 8.300 nan 0.000 0.480 187 G N -0.648 108.361 108.800 0.348 0.000 2.663 187 G HA2 0.360 4.321 3.960 0.002 0.000 0.686 187 G HA3 0.360 4.321 3.960 0.002 0.000 0.686 187 G C -0.526 174.517 174.900 0.239 0.000 1.288 187 G CA -0.764 44.481 45.100 0.242 0.000 0.836 187 G HN 0.882 nan 8.290 nan 0.000 0.584 188 G N -1.275 107.637 108.800 0.187 0.000 2.576 188 G HA2 0.657 4.619 3.960 0.002 0.000 0.290 188 G HA3 0.657 4.619 3.960 0.002 0.000 0.290 188 G C -0.345 174.637 174.900 0.137 0.000 1.442 188 G CA -0.451 44.748 45.100 0.165 0.000 0.792 188 G HN 1.198 nan 8.290 nan 0.000 0.491 189 I N 1.735 122.374 120.570 0.116 0.000 2.821 189 I HA -0.002 4.169 4.170 0.002 0.000 0.294 189 I C 0.397 176.569 176.117 0.092 0.000 1.210 189 I CA 0.435 61.792 61.300 0.095 0.000 1.430 189 I CB 0.401 38.438 38.000 0.061 0.000 1.356 189 I HN 0.145 nan 8.210 nan 0.000 0.563 190 M N 6.686 126.348 119.600 0.103 0.000 2.423 190 M HA 0.428 4.909 4.480 0.002 0.000 0.335 190 M C -0.359 176.013 176.300 0.120 0.000 1.177 190 M CA -0.387 54.981 55.300 0.114 0.000 1.038 190 M CB 1.595 34.264 32.600 0.115 0.000 1.641 190 M HN 0.519 nan 8.290 nan 0.000 0.455 191 Q N 1.877 121.766 119.800 0.147 0.000 2.399 191 Q HA 0.801 5.142 4.340 0.002 0.000 0.276 191 Q C -1.128 175.014 176.000 0.236 0.000 1.098 191 Q CA -0.703 55.236 55.803 0.227 0.000 0.827 191 Q CB 3.805 32.710 28.738 0.278 0.000 1.386 191 Q HN 0.688 nan 8.270 nan 0.000 0.443 192 M N 1.720 121.508 119.600 0.314 0.000 2.371 192 M HA 0.375 4.856 4.480 0.002 0.000 0.287 192 M C -2.040 174.457 176.300 0.328 0.000 1.149 192 M CA -0.699 54.753 55.300 0.253 0.000 0.929 192 M CB 2.247 34.980 32.600 0.221 0.000 1.683 192 M HN 0.578 nan 8.290 nan 0.000 0.470 193 K N 3.179 123.679 120.400 0.167 0.000 2.293 193 K HA 0.628 4.949 4.320 0.002 0.000 0.267 193 K C -1.697 175.098 176.600 0.326 0.000 1.010 193 K CA -0.488 55.899 56.287 0.167 0.000 0.875 193 K CB 1.600 33.988 32.500 -0.187 0.000 1.106 193 K HN 0.476 nan 8.250 nan 0.000 0.450 194 F N 2.557 122.667 119.950 0.266 0.000 2.578 194 F HA 0.498 5.026 4.527 0.002 0.000 0.311 194 F C -1.567 174.465 175.800 0.386 0.000 1.094 194 F CA -1.086 57.084 58.000 0.282 0.000 0.923 194 F CB 1.923 41.107 39.000 0.308 0.000 1.230 194 F HN 0.794 nan 8.300 nan 0.000 0.450 195 C N 9.140 128.121 119.300 -0.532 0.000 2.442 195 C HA 0.514 4.975 4.460 0.002 0.000 0.335 195 C C -1.692 172.941 174.990 -0.595 0.000 1.134 195 C CA -1.498 57.371 59.018 -0.249 0.000 1.344 195 C CB 1.039 28.674 27.740 -0.175 0.000 1.956 195 C HN 0.756 nan 8.230 nan 0.000 0.438 196 P HA -0.009 nan 4.420 nan 0.000 0.221 196 P C 0.780 178.024 177.300 -0.092 0.000 1.155 196 P CA 1.467 64.449 63.100 -0.196 0.000 0.812 196 P CB 0.568 32.286 31.700 0.028 0.000 0.801 197 E N -0.849 119.331 120.200 -0.032 0.000 2.230 197 E HA -0.050 4.301 4.350 0.002 0.000 0.192 197 E C 0.125 176.495 176.600 -0.383 0.000 0.987 197 E CA 0.729 57.016 56.400 -0.189 0.000 0.841 197 E CB -0.628 28.927 29.700 -0.241 0.000 0.783 197 E HN 0.384 nan 8.360 nan 0.000 0.481 198 Y N 1.026 121.239 120.300 -0.145 0.000 2.751 198 Y HA 0.231 4.782 4.550 0.002 0.000 0.333 198 Y C 0.118 175.933 175.900 -0.143 0.000 1.122 198 Y CA -1.192 56.803 58.100 -0.174 0.000 1.367 198 Y CB 0.231 38.562 38.460 -0.215 0.000 1.242 198 Y HN -0.193 nan 8.280 nan 0.000 0.505 199 V N -0.019 119.867 119.914 -0.047 0.000 2.716 199 V HA 0.654 4.775 4.120 0.002 0.000 0.304 199 V C 0.359 176.461 176.094 0.012 0.000 1.053 199 V CA -1.118 61.181 62.300 -0.000 0.000 0.984 199 V CB 1.425 33.279 31.823 0.052 0.000 1.021 199 V HN 0.638 nan 8.190 nan 0.000 0.467 200 S N 2.715 118.444 115.700 0.048 0.000 2.579 200 S HA 0.552 5.023 4.470 0.002 0.000 0.275 200 S C -0.175 174.479 174.600 0.091 0.000 1.345 200 S CA -0.510 57.727 58.200 0.062 0.000 1.031 200 S CB 1.087 64.332 63.200 0.074 0.000 0.892 200 S HN 1.089 nan 8.310 nan 0.000 0.529 201 V N 3.228 123.180 119.914 0.065 0.000 2.628 201 V HA 0.809 4.930 4.120 0.002 0.000 0.306 201 V C -0.456 175.698 176.094 0.100 0.000 1.045 201 V CA -0.750 61.557 62.300 0.012 0.000 0.905 201 V CB 1.032 32.819 31.823 -0.060 0.000 0.997 201 V HN 0.955 nan 8.190 nan 0.000 0.436 202 F N 2.281 122.246 119.950 0.025 0.000 2.685 202 F HA 0.911 5.439 4.527 0.001 0.000 0.315 202 F C -1.065 174.778 175.800 0.070 0.000 1.126 202 F CA -1.292 56.723 58.000 0.025 0.000 0.950 202 F CB 2.030 41.032 39.000 0.003 0.000 1.360 202 F HN 0.563 nan 8.300 nan 0.000 0.469 203 N N -1.026 117.839 118.700 0.276 0.000 2.446 203 N HA 0.462 5.203 4.740 0.002 0.000 0.272 203 N C -1.929 173.720 175.510 0.232 0.000 1.127 203 N CA -0.418 52.741 53.050 0.183 0.000 0.896 203 N CB 0.964 39.474 38.487 0.038 0.000 1.658 203 N HN 1.072 nan 8.380 nan 0.000 0.483 204 N N 0.338 119.161 118.700 0.204 0.000 2.406 204 N HA 0.557 5.298 4.740 0.002 0.000 0.251 204 N C 1.519 177.070 175.510 0.068 0.000 1.069 204 N CA -0.354 52.782 53.050 0.143 0.000 0.947 204 N CB 0.540 39.098 38.487 0.118 0.000 1.111 204 N HN 0.897 nan 8.380 nan 0.000 0.497 205 V N 0.821 120.770 119.914 0.059 0.000 2.343 205 V HA -0.178 3.943 4.120 0.002 0.000 0.247 205 V C 2.646 178.741 176.094 0.002 0.000 1.051 205 V CA 3.146 65.421 62.300 -0.042 0.000 1.036 205 V CB -1.405 30.403 31.823 -0.026 0.000 0.654 205 V HN 0.945 nan 8.190 nan 0.000 0.451 206 Q N -0.230 119.609 119.800 0.065 0.000 2.436 206 Q HA 0.332 4.673 4.340 0.002 0.000 0.209 206 Q C 1.264 177.307 176.000 0.071 0.000 0.965 206 Q CA 1.855 57.702 55.803 0.074 0.000 0.910 206 Q CB -1.003 27.789 28.738 0.090 0.000 0.980 206 Q HN 1.246 nan 8.270 nan 0.000 0.491 207 E N -1.272 118.969 120.200 0.067 0.000 2.249 207 E HA 0.632 4.984 4.350 0.002 0.000 0.263 207 E C -0.519 176.129 176.600 0.080 0.000 0.950 207 E CA -0.372 56.076 56.400 0.080 0.000 0.827 207 E CB 0.676 30.430 29.700 0.090 0.000 1.220 207 E HN 0.974 nan 8.360 nan 0.000 0.411 208 N N -0.015 118.746 118.700 0.102 0.000 2.457 208 N HA 0.552 5.293 4.740 0.002 0.000 0.250 208 N C -0.043 175.550 175.510 0.138 0.000 0.982 208 N CA -0.044 53.069 53.050 0.106 0.000 0.941 208 N CB 0.947 39.498 38.487 0.107 0.000 1.120 208 N HN 0.942 nan 8.380 nan 0.000 0.505 209 K N 0.540 121.018 120.400 0.130 0.000 2.142 209 K HA 0.607 4.928 4.320 0.002 0.000 0.250 209 K C 1.478 178.093 176.600 0.025 0.000 1.148 209 K CA -0.031 56.337 56.287 0.134 0.000 1.040 209 K CB -0.807 31.751 32.500 0.096 0.000 1.569 209 K HN 2.185 nan 8.250 nan 0.000 0.361 210 G N 0.046 108.877 108.800 0.052 0.000 2.225 210 G HA2 0.115 4.076 3.960 0.002 0.000 0.254 210 G HA3 0.115 4.076 3.960 0.002 0.000 0.254 210 G C 0.938 175.882 174.900 0.073 0.000 0.988 210 G CA 0.778 45.902 45.100 0.040 0.000 0.625 210 G HN 2.321 nan 8.290 nan 0.000 0.527 211 A N -1.898 120.977 122.820 0.091 0.000 2.560 211 A HA 0.395 4.716 4.320 0.002 0.000 0.299 211 A C 0.926 178.588 177.584 0.131 0.000 1.484 211 A CA 2.398 54.504 52.037 0.115 0.000 0.749 211 A CB -1.698 17.366 19.000 0.107 0.000 1.072 211 A HN 2.736 nan 8.150 nan 0.000 0.426 212 S N -1.501 114.281 115.700 0.137 0.000 2.750 212 S HA 0.822 5.293 4.470 0.002 0.000 0.276 212 S C 0.971 175.664 174.600 0.155 0.000 1.165 212 S CA 0.135 58.439 58.200 0.173 0.000 1.047 212 S CB 0.441 63.734 63.200 0.154 0.000 1.056 212 S HN 1.967 nan 8.310 nan 0.000 0.481 213 I N 1.037 121.674 120.570 0.112 0.000 2.439 213 I HA 0.200 4.371 4.170 0.002 0.000 0.251 213 I C 1.710 177.705 176.117 -0.202 0.000 1.139 213 I CA 1.411 62.646 61.300 -0.108 0.000 1.438 213 I CB -1.518 36.259 38.000 -0.371 0.000 1.085 213 I HN 0.748 nan 8.210 nan 0.000 0.427 214 F N 0.743 120.715 119.950 0.037 0.000 2.748 214 F HA 0.175 4.704 4.527 0.003 0.000 0.299 214 F C 1.342 177.162 175.800 0.033 0.000 1.154 214 F CA 0.340 58.359 58.000 0.032 0.000 1.446 214 F CB -0.497 38.521 39.000 0.030 0.000 1.112 214 F HN 0.386 nan 8.300 nan 0.000 0.584 215 N N 0.555 119.363 118.700 0.179 0.000 2.525 215 N HA 0.291 5.032 4.740 0.002 0.000 0.288 215 N C -0.446 175.109 175.510 0.074 0.000 1.242 215 N CA -0.643 52.477 53.050 0.117 0.000 0.905 215 N CB 1.200 39.751 38.487 0.107 0.000 1.258 215 N HN -0.019 nan 8.380 nan 0.000 0.551 216 R N 1.025 121.562 120.500 0.060 0.000 2.401 216 R HA 0.134 4.475 4.340 0.002 0.000 0.299 216 R C 0.150 176.455 176.300 0.009 0.000 1.064 216 R CA -0.111 56.015 56.100 0.043 0.000 1.000 216 R CB 0.432 30.774 30.300 0.070 0.000 0.973 216 R HN 0.501 nan 8.270 nan 0.000 0.438 217 R N 1.056 121.555 120.500 -0.002 0.000 2.604 217 R HA 0.757 5.098 4.340 0.002 0.000 0.287 217 R C -0.290 175.952 176.300 -0.098 0.000 0.970 217 R CA -0.318 55.759 56.100 -0.038 0.000 0.946 217 R CB 1.722 32.028 30.300 0.010 0.000 1.127 217 R HN 0.716 nan 8.270 nan 0.000 0.473 218 G N 0.719 109.408 108.800 -0.185 0.000 2.355 218 G HA2 0.070 4.031 3.960 0.002 0.000 0.619 218 G HA3 0.070 4.031 3.960 0.002 0.000 0.619 218 G C -2.028 172.559 174.900 -0.521 0.000 1.337 218 G CA -0.922 44.036 45.100 -0.236 0.000 0.993 218 G HN 0.458 nan 8.290 nan 0.000 0.599 219 Y N -0.743 119.187 120.300 -0.616 0.000 2.512 219 Y HA 0.705 5.256 4.550 0.001 0.000 0.348 219 Y C 0.449 175.920 175.900 -0.716 0.000 0.990 219 Y CA -0.773 56.868 58.100 -0.766 0.000 1.033 219 Y CB 1.998 39.844 38.460 -1.024 0.000 1.259 219 Y HN 0.733 nan 8.280 nan 0.000 0.461 220 F N -1.194 118.527 119.950 -0.381 0.000 2.470 220 F HA 0.834 5.362 4.527 0.002 0.000 0.329 220 F C -0.029 175.725 175.800 -0.076 0.000 1.072 220 F CA -1.221 56.594 58.000 -0.307 0.000 0.989 220 F CB 0.818 39.530 39.000 -0.480 0.000 1.193 220 F HN 0.249 nan 8.300 nan 0.000 0.481 221 S N 0.435 116.279 115.700 0.240 0.000 2.584 221 S HA 0.075 4.546 4.470 0.002 0.000 0.273 221 S C -0.645 174.183 174.600 0.380 0.000 1.311 221 S CA -0.647 57.721 58.200 0.279 0.000 1.034 221 S CB 0.645 63.989 63.200 0.240 0.000 0.939 221 S HN 0.689 nan 8.310 nan 0.000 0.513 222 D N 2.837 123.463 120.400 0.376 0.000 2.336 222 D HA 0.142 4.783 4.640 0.002 0.000 0.249 222 D C -1.226 175.261 176.300 0.313 0.000 1.213 222 D CA -2.071 52.218 54.000 0.482 0.000 0.870 222 D CB 1.141 42.165 40.800 0.375 0.000 1.076 222 D HN 0.151 nan 8.370 nan 0.000 0.483 223 P HA -0.194 nan 4.420 nan 0.000 0.220 223 P C 0.978 178.427 177.300 0.249 0.000 1.144 223 P CA 0.865 64.098 63.100 0.222 0.000 0.800 223 P CB 0.277 32.046 31.700 0.115 0.000 0.772 224 A N -0.324 122.615 122.820 0.198 0.000 1.968 224 A HA -0.113 4.208 4.320 0.002 0.000 0.217 224 A C 2.215 179.785 177.584 -0.022 0.000 1.169 224 A CA 1.168 53.252 52.037 0.079 0.000 0.638 224 A CB -1.428 17.626 19.000 0.090 0.000 0.812 224 A HN 0.212 nan 8.150 nan 0.000 0.446 225 L N -0.043 121.191 121.223 0.017 0.000 2.072 225 L HA -0.023 4.318 4.340 0.002 0.000 0.205 225 L C 2.184 179.074 176.870 0.032 0.000 1.079 225 L CA 1.477 56.293 54.840 -0.041 0.000 0.752 225 L CB -0.349 41.700 42.059 -0.017 0.000 0.906 225 L HN 0.413 nan 8.230 nan 0.000 0.436 226 I N -0.833 119.810 120.570 0.121 0.000 2.151 226 I HA -0.319 3.852 4.170 0.002 0.000 0.243 226 I C 2.399 178.663 176.117 0.245 0.000 1.080 226 I CA 1.479 62.899 61.300 0.200 0.000 1.339 226 I CB -0.494 37.663 38.000 0.262 0.000 1.039 226 I HN 0.347 nan 8.210 nan 0.000 0.409 227 L N 0.470 121.795 121.223 0.170 0.000 2.046 227 L HA -0.180 4.161 4.340 0.002 0.000 0.208 227 L C 2.416 179.170 176.870 -0.193 0.000 1.077 227 L CA 1.825 56.561 54.840 -0.172 0.000 0.747 227 L CB -0.489 41.288 42.059 -0.470 0.000 0.896 227 L HN 0.156 nan 8.230 nan 0.000 0.432 228 M N -1.660 117.835 119.600 -0.174 0.000 2.279 228 M HA -0.219 4.262 4.480 0.002 0.000 0.264 228 M C 2.255 178.457 176.300 -0.163 0.000 1.062 228 M CA 1.666 56.835 55.300 -0.219 0.000 1.099 228 M CB -0.651 31.797 32.600 -0.254 0.000 1.394 228 M HN 0.460 nan 8.290 nan 0.000 0.426 229 H N 0.775 119.755 119.070 -0.150 0.000 2.321 229 H HA -0.120 4.437 4.556 0.002 0.000 0.300 229 H C 1.911 177.130 175.328 -0.183 0.000 1.087 229 H CA 1.786 57.744 56.048 -0.149 0.000 1.319 229 H CB 0.237 29.976 29.762 -0.040 0.000 1.379 229 H HN 0.183 nan 8.280 nan 0.000 0.501 230 E N 0.525 120.732 120.200 0.012 0.000 2.106 230 E HA -0.105 4.247 4.350 0.002 0.000 0.192 230 E C 2.460 179.005 176.600 -0.091 0.000 0.984 230 E CA 0.694 57.124 56.400 0.049 0.000 0.806 230 E CB -0.206 29.581 29.700 0.145 0.000 0.750 230 E HN 0.559 nan 8.360 nan 0.000 0.458 231 L N 0.416 121.528 121.223 -0.184 0.000 2.362 231 L HA -0.067 4.274 4.340 0.002 0.000 0.219 231 L C 2.316 179.005 176.870 -0.300 0.000 1.134 231 L CA 0.445 55.155 54.840 -0.218 0.000 0.807 231 L CB -0.258 41.637 42.059 -0.274 0.000 0.927 231 L HN 0.088 nan 8.230 nan 0.000 0.447 232 I N -1.224 119.098 120.570 -0.413 0.000 2.353 232 I HA -0.246 3.925 4.170 0.002 0.000 0.248 232 I C 2.574 178.278 176.117 -0.688 0.000 1.119 232 I CA 0.754 61.703 61.300 -0.586 0.000 1.417 232 I CB -0.386 37.253 38.000 -0.602 0.000 1.078 232 I HN 0.305 nan 8.210 nan 0.000 0.421 233 H N 0.209 119.038 119.070 -0.403 0.000 2.353 233 H HA -0.101 4.456 4.556 0.002 0.000 0.300 233 H C 2.508 177.756 175.328 -0.132 0.000 1.090 233 H CA 1.405 57.316 56.048 -0.228 0.000 1.327 233 H CB -0.415 29.284 29.762 -0.105 0.000 1.383 233 H HN 0.142 nan 8.280 nan 0.000 0.508 234 V N 1.274 121.191 119.914 0.006 0.000 2.287 234 V HA -0.235 3.886 4.120 0.002 0.000 0.248 234 V C 2.730 178.832 176.094 0.013 0.000 1.053 234 V CA 1.577 63.892 62.300 0.023 0.000 1.027 234 V CB -0.748 31.074 31.823 -0.001 0.000 0.646 234 V HN 0.191 nan 8.190 nan 0.000 0.447 235 L N -0.055 121.105 121.223 -0.106 0.000 2.012 235 L HA -0.226 4.115 4.340 0.002 0.000 0.210 235 L C 2.357 179.301 176.870 0.123 0.000 1.073 235 L CA 2.184 56.988 54.840 -0.060 0.000 0.748 235 L CB -0.925 40.947 42.059 -0.313 0.000 0.891 235 L HN 0.474 nan 8.230 nan 0.000 0.431 236 H N -1.492 117.594 119.070 0.026 0.000 2.353 236 H HA -0.089 4.468 4.556 0.002 0.000 0.300 236 H C 2.076 177.491 175.328 0.144 0.000 1.090 236 H CA 0.660 56.745 56.048 0.062 0.000 1.327 236 H CB -0.349 29.438 29.762 0.041 0.000 1.383 236 H HN 0.533 nan 8.280 nan 0.000 0.508 237 G N 0.751 109.704 108.800 0.255 0.000 2.418 237 G HA2 -0.213 3.748 3.960 0.002 0.000 0.217 237 G HA3 -0.213 3.748 3.960 0.002 0.000 0.217 237 G C 1.666 176.690 174.900 0.207 0.000 1.158 237 G CA 0.597 45.823 45.100 0.210 0.000 0.771 237 G HN 0.219 nan 8.290 nan 0.000 0.545 238 L N -1.075 120.260 121.223 0.187 0.000 2.083 238 L HA -0.043 4.298 4.340 0.002 0.000 0.209 238 L C 2.351 179.243 176.870 0.036 0.000 1.083 238 L CA 0.819 55.721 54.840 0.103 0.000 0.752 238 L CB -0.278 41.810 42.059 0.049 0.000 0.899 238 L HN 0.207 nan 8.230 nan 0.000 0.433 239 Y N 0.025 120.373 120.300 0.079 0.000 2.529 239 Y HA 0.138 4.689 4.550 0.002 0.000 0.290 239 Y C 1.746 177.794 175.900 0.247 0.000 1.177 239 Y CA 0.412 58.566 58.100 0.089 0.000 1.305 239 Y CB -0.359 38.149 38.460 0.081 0.000 1.047 239 Y HN 0.267 nan 8.280 nan 0.000 0.522 240 G N 1.536 110.531 108.800 0.325 0.000 2.198 240 G HA2 -0.318 3.643 3.960 0.002 0.000 0.260 240 G HA3 -0.318 3.643 3.960 0.002 0.000 0.260 240 G C 0.739 175.824 174.900 0.308 0.000 1.025 240 G CA 0.757 46.042 45.100 0.308 0.000 0.769 240 G HN 0.678 nan 8.290 nan 0.000 0.507 241 I N -2.844 117.895 120.570 0.281 0.000 3.974 241 I HA 0.495 4.666 4.170 0.002 0.000 0.334 241 I C 1.139 177.308 176.117 0.087 0.000 1.437 241 I CA -0.066 61.342 61.300 0.179 0.000 1.113 241 I CB 0.450 38.515 38.000 0.108 0.000 1.063 241 I HN 0.055 nan 8.210 nan 0.000 0.400 242 K N 3.211 123.687 120.400 0.127 0.000 3.322 242 K HA 0.173 4.494 4.320 0.002 0.000 0.291 242 K C 0.434 177.067 176.600 0.055 0.000 1.131 242 K CA -0.230 56.107 56.287 0.085 0.000 1.185 242 K CB -0.243 32.332 32.500 0.126 0.000 1.338 242 K HN 0.475 nan 8.250 nan 0.000 0.380 243 V N -1.189 118.761 119.914 0.061 0.000 3.096 243 V HA 0.166 4.287 4.120 0.002 0.000 0.306 243 V C -0.224 175.882 176.094 0.020 0.000 1.088 243 V CA -0.433 61.905 62.300 0.062 0.000 1.129 243 V CB 1.059 32.932 31.823 0.083 0.000 1.014 243 V HN 0.218 nan 8.190 nan 0.000 0.486 244 D N 1.953 122.367 120.400 0.024 0.000 2.229 244 D HA 0.663 5.304 4.640 0.002 0.000 0.249 244 D C -0.283 176.025 176.300 0.013 0.000 1.027 244 D CA -0.095 53.903 54.000 -0.003 0.000 0.923 244 D CB 1.336 42.134 40.800 -0.003 0.000 1.174 244 D HN 0.908 nan 8.370 nan 0.000 0.443 245 D N -0.113 120.284 120.400 -0.005 0.000 2.851 245 D HA 0.120 4.761 4.640 0.002 0.000 0.339 245 D C -1.226 175.069 176.300 -0.009 0.000 1.347 245 D CA -0.629 53.376 54.000 0.008 0.000 0.888 245 D CB 1.106 41.920 40.800 0.022 0.000 1.431 245 D HN 0.187 nan 8.370 nan 0.000 0.509 246 L N 2.999 124.221 121.223 -0.002 0.000 2.628 246 L HA 0.225 4.566 4.340 0.002 0.000 0.274 246 L C -2.076 174.767 176.870 -0.045 0.000 1.209 246 L CA 0.063 54.891 54.840 -0.020 0.000 0.930 246 L CB 0.105 42.158 42.059 -0.010 0.000 1.183 246 L HN 0.161 nan 8.230 nan 0.000 0.492 247 P HA 0.257 nan 4.420 nan 0.000 0.287 247 P C -0.915 176.333 177.300 -0.087 0.000 1.279 247 P CA -0.768 62.294 63.100 -0.063 0.000 0.867 247 P CB 1.399 33.071 31.700 -0.046 0.000 1.127 248 I N 2.217 122.759 120.570 -0.047 0.000 2.379 248 I HA 0.116 4.287 4.170 0.002 0.000 0.290 248 I C 0.532 176.680 176.117 0.051 0.000 1.063 248 I CA -0.290 60.997 61.300 -0.023 0.000 1.351 248 I CB 0.466 38.552 38.000 0.144 0.000 1.410 248 I HN 0.141 nan 8.210 nan 0.000 0.505 249 V N 6.923 126.822 119.914 -0.026 0.000 2.487 249 V HA 0.641 4.762 4.120 0.002 0.000 0.298 249 V C -2.582 173.477 176.094 -0.059 0.000 1.028 249 V CA -2.122 60.178 62.300 0.000 0.000 0.860 249 V CB 1.767 33.563 31.823 -0.045 0.000 0.991 249 V HN 0.506 nan 8.190 nan 0.000 0.427 250 P HA 0.132 nan 4.420 nan 0.000 0.275 250 P C -0.462 176.694 177.300 -0.239 0.000 1.227 250 P CA -0.012 62.901 63.100 -0.312 0.000 0.781 250 P CB 0.867 32.411 31.700 -0.259 0.000 0.906 251 N N 2.577 121.093 118.700 -0.307 0.000 2.530 251 N HA 0.006 4.747 4.740 0.002 0.000 0.273 251 N C 0.067 175.414 175.510 -0.272 0.000 1.173 251 N CA 0.357 53.250 53.050 -0.262 0.000 0.967 251 N CB 0.256 38.540 38.487 -0.337 0.000 1.109 251 N HN 0.376 nan 8.380 nan 0.000 0.453 252 E N 1.768 121.839 120.200 -0.216 0.000 2.921 252 E HA 0.103 4.454 4.350 0.002 0.000 0.203 252 E C 0.176 176.661 176.600 -0.192 0.000 0.975 252 E CA -0.096 56.188 56.400 -0.193 0.000 1.225 252 E CB 0.503 30.140 29.700 -0.105 0.000 1.048 252 E HN 0.569 nan 8.360 nan 0.000 0.477 253 K N 0.668 120.928 120.400 -0.232 0.000 2.366 253 K HA 0.052 4.373 4.320 0.002 0.000 0.198 253 K C 0.588 177.049 176.600 -0.231 0.000 1.044 253 K CA 0.674 56.854 56.287 -0.179 0.000 0.973 253 K CB 0.310 32.728 32.500 -0.137 0.000 0.767 253 K HN -0.155 nan 8.250 nan 0.000 0.475 254 K N 0.437 120.569 120.400 -0.446 0.000 2.259 254 K HA 0.127 4.448 4.320 0.002 0.000 0.249 254 K C 0.699 176.932 176.600 -0.612 0.000 0.942 254 K CA -0.568 55.326 56.287 -0.655 0.000 0.816 254 K CB 1.131 32.780 32.500 -1.419 0.000 1.155 254 K HN -0.075 nan 8.250 nan 0.000 0.428 255 F N 1.113 120.862 119.950 -0.335 0.000 2.216 255 F HA -0.136 4.390 4.527 -0.002 0.000 0.300 255 F C 1.369 177.122 175.800 -0.079 0.000 1.085 255 F CA 0.797 58.707 58.000 -0.149 0.000 1.326 255 F CB -0.741 38.245 39.000 -0.023 0.000 1.027 255 F HN 0.451 nan 8.300 nan 0.000 0.497 256 F N 0.027 119.454 119.950 -0.872 0.000 2.748 256 F HA 0.338 4.873 4.527 0.013 0.000 0.299 256 F C 0.647 176.494 175.800 0.079 0.000 1.154 256 F CA -1.043 56.797 58.000 -0.267 0.000 1.446 256 F CB -1.414 37.383 39.000 -0.338 0.000 1.112 256 F HN -0.096 nan 8.300 nan 0.000 0.584 257 M N 1.650 121.066 119.600 -0.308 0.000 2.235 257 M HA 0.161 4.642 4.480 0.002 0.000 0.351 257 M C 0.227 176.538 176.300 0.018 0.000 1.178 257 M CA -0.109 55.121 55.300 -0.118 0.000 1.143 257 M CB 1.045 33.408 32.600 -0.394 0.000 1.530 257 M HN 0.168 nan 8.290 nan 0.000 0.461 258 Q N 1.280 121.143 119.800 0.104 0.000 2.288 258 Q HA 0.228 4.569 4.340 0.002 0.000 0.254 258 Q C -1.063 175.006 176.000 0.116 0.000 0.932 258 Q CA -0.100 55.800 55.803 0.163 0.000 0.902 258 Q CB 0.998 29.915 28.738 0.298 0.000 1.203 258 Q HN 0.675 nan 8.270 nan 0.000 0.415 259 S N 2.468 118.257 115.700 0.148 0.000 2.442 259 S HA 0.524 4.995 4.470 0.002 0.000 0.297 259 S C -0.644 174.041 174.600 0.143 0.000 1.131 259 S CA -0.396 57.875 58.200 0.117 0.000 1.092 259 S CB 1.624 64.895 63.200 0.118 0.000 0.998 259 S HN 0.687 nan 8.310 nan 0.000 0.478 260 T N 1.892 116.531 114.554 0.142 0.000 2.821 260 T HA 0.291 4.642 4.350 0.002 0.000 0.306 260 T C -1.728 173.043 174.700 0.118 0.000 1.313 260 T CA -0.830 61.355 62.100 0.142 0.000 1.012 260 T CB 0.964 69.971 68.868 0.231 0.000 1.298 260 T HN 0.427 nan 8.240 nan 0.000 0.502 261 D N 1.770 122.222 120.400 0.087 0.000 2.382 261 D HA 0.444 5.085 4.640 0.002 0.000 0.240 261 D C 0.528 176.884 176.300 0.093 0.000 1.146 261 D CA 0.063 54.104 54.000 0.068 0.000 0.897 261 D CB 0.906 41.735 40.800 0.049 0.000 1.197 261 D HN 0.811 nan 8.370 nan 0.000 0.432 262 A N 1.623 124.478 122.820 0.058 0.000 2.520 262 A HA 0.234 4.555 4.320 0.002 0.000 0.235 262 A C 0.263 177.867 177.584 0.033 0.000 1.065 262 A CA 0.113 52.180 52.037 0.050 0.000 0.764 262 A CB -0.071 18.935 19.000 0.011 0.000 1.002 262 A HN 0.503 nan 8.150 nan 0.000 0.502 263 I N 2.417 123.004 120.570 0.029 0.000 2.382 263 I HA 0.179 4.350 4.170 0.002 0.000 0.285 263 I C -0.001 176.057 176.117 -0.098 0.000 1.007 263 I CA -0.466 60.796 61.300 -0.063 0.000 1.142 263 I CB 1.479 39.411 38.000 -0.112 0.000 1.289 263 I HN 0.579 nan 8.210 nan 0.000 0.453 264 Q N 3.490 123.214 119.800 -0.127 0.000 2.373 264 Q HA 0.255 4.596 4.340 0.002 0.000 0.255 264 Q C 1.142 177.022 176.000 -0.199 0.000 0.980 264 Q CA -0.007 55.715 55.803 -0.135 0.000 0.882 264 Q CB 1.610 30.276 28.738 -0.119 0.000 1.249 264 Q HN 0.859 nan 8.270 nan 0.000 0.438 265 A N 2.651 125.327 122.820 -0.240 0.000 1.986 265 A HA -0.233 4.088 4.320 0.002 0.000 0.220 265 A C 1.761 178.940 177.584 -0.674 0.000 1.171 265 A CA 1.823 53.588 52.037 -0.454 0.000 0.640 265 A CB -0.228 18.476 19.000 -0.494 0.000 0.811 265 A HN 0.814 nan 8.150 nan 0.000 0.451 266 E N 0.047 120.009 120.200 -0.396 0.000 2.110 266 E HA -0.249 4.102 4.350 0.002 0.000 0.193 266 E C 1.939 178.541 176.600 0.003 0.000 0.988 266 E CA 1.671 57.954 56.400 -0.195 0.000 0.804 266 E CB -0.136 29.527 29.700 -0.061 0.000 0.745 266 E HN 0.678 nan 8.360 nan 0.000 0.458 267 E N 0.852 121.027 120.200 -0.041 0.000 2.038 267 E HA -0.158 4.193 4.350 0.002 0.000 0.195 267 E C 2.318 178.917 176.600 -0.002 0.000 1.000 267 E CA 1.448 57.862 56.400 0.022 0.000 0.803 267 E CB -0.495 29.065 29.700 -0.234 0.000 0.750 267 E HN 0.317 nan 8.360 nan 0.000 0.448 268 L N -0.353 120.804 121.223 -0.110 0.000 2.141 268 L HA -0.151 4.190 4.340 0.002 0.000 0.209 268 L C 2.320 179.378 176.870 0.313 0.000 1.094 268 L CA 0.874 55.742 54.840 0.046 0.000 0.763 268 L CB -0.602 41.480 42.059 0.039 0.000 0.908 268 L HN 0.224 nan 8.230 nan 0.000 0.437 269 Y N 0.494 120.882 120.300 0.147 0.000 2.200 269 Y HA -0.181 4.370 4.550 0.002 0.000 0.290 269 Y C 2.927 178.923 175.900 0.159 0.000 1.137 269 Y CA 0.994 59.200 58.100 0.177 0.000 1.163 269 Y CB -1.489 37.011 38.460 0.066 0.000 0.988 269 Y HN 0.144 nan 8.280 nan 0.000 0.518 270 T N 0.544 115.281 114.554 0.306 0.000 2.684 270 T HA -0.241 4.110 4.350 0.002 0.000 0.267 270 T C 1.769 176.544 174.700 0.126 0.000 1.036 270 T CA 1.689 63.844 62.100 0.092 0.000 1.148 270 T CB -0.761 67.975 68.868 -0.220 0.000 0.863 270 T HN 0.260 nan 8.240 nan 0.000 0.436 271 F N 1.353 121.386 119.950 0.139 0.000 2.113 271 F HA 0.213 4.741 4.527 0.003 0.000 0.297 271 F C 1.704 177.580 175.800 0.127 0.000 1.103 271 F CA 1.337 59.439 58.000 0.170 0.000 1.248 271 F CB -0.679 38.426 39.000 0.176 0.000 0.999 271 F HN 0.425 nan 8.300 nan 0.000 0.475 272 G N -0.494 108.489 108.800 0.305 0.000 2.542 272 G HA2 0.183 4.144 3.960 0.002 0.000 0.235 272 G HA3 0.183 4.144 3.960 0.002 0.000 0.235 272 G C 0.757 175.795 174.900 0.230 0.000 1.286 272 G CA 0.068 45.290 45.100 0.203 0.000 0.904 272 G HN 1.534 nan 8.290 nan 0.000 0.577 273 G N -1.079 107.788 108.800 0.111 0.000 2.583 273 G HA2 -0.059 3.902 3.960 0.002 0.000 0.292 273 G HA3 -0.059 3.902 3.960 0.002 0.000 0.292 273 G C 1.294 176.292 174.900 0.163 0.000 1.203 273 G CA 2.533 47.706 45.100 0.122 0.000 0.987 273 G HN 2.396 nan 8.290 nan 0.000 0.554 274 Q N -0.422 119.489 119.800 0.184 0.000 2.187 274 Q HA 0.072 4.413 4.340 0.002 0.000 0.199 274 Q C 1.834 177.950 176.000 0.193 0.000 0.957 274 Q CA 1.906 57.804 55.803 0.158 0.000 0.857 274 Q CB -0.189 28.619 28.738 0.117 0.000 0.929 274 Q HN 0.562 nan 8.270 nan 0.000 0.453 275 D N 1.971 122.527 120.400 0.261 0.000 2.170 275 D HA -0.162 4.479 4.640 0.002 0.000 0.193 275 D C -0.679 175.790 176.300 0.282 0.000 1.004 275 D CA 1.609 55.779 54.000 0.283 0.000 0.860 275 D CB -1.556 39.441 40.800 0.327 0.000 0.931 275 D HN 0.373 nan 8.370 nan 0.000 0.448 276 P HA -0.038 nan 4.420 nan 0.000 0.219 276 P C 1.173 178.649 177.300 0.294 0.000 1.146 276 P CA 1.148 64.474 63.100 0.376 0.000 0.808 276 P CB 0.035 31.918 31.700 0.306 0.000 0.779 277 S N -1.077 114.758 115.700 0.225 0.000 2.474 277 S HA -0.022 4.449 4.470 0.002 0.000 0.235 277 S C 1.642 176.369 174.600 0.211 0.000 0.997 277 S CA 0.714 59.042 58.200 0.213 0.000 0.949 277 S CB -0.858 62.459 63.200 0.194 0.000 0.766 277 S HN 0.214 nan 8.310 nan 0.000 0.517 278 I N 1.071 121.764 120.570 0.204 0.000 3.251 278 I HA 0.032 4.203 4.170 0.002 0.000 0.277 278 I C -0.235 176.024 176.117 0.237 0.000 1.268 278 I CA 0.452 61.871 61.300 0.198 0.000 1.449 278 I CB 0.114 38.202 38.000 0.146 0.000 1.083 278 I HN 0.168 nan 8.210 nan 0.000 0.464 279 I N 2.149 122.865 120.570 0.243 0.000 2.297 279 I HA 0.072 4.243 4.170 0.002 0.000 0.291 279 I C 1.017 177.290 176.117 0.260 0.000 1.033 279 I CA -0.168 61.274 61.300 0.237 0.000 1.253 279 I CB 0.522 38.679 38.000 0.262 0.000 1.396 279 I HN 0.085 nan 8.210 nan 0.000 0.476 280 T N 4.857 119.557 114.554 0.244 0.000 2.906 280 T HA 0.123 4.474 4.350 0.002 0.000 0.320 280 T C -1.715 173.110 174.700 0.207 0.000 1.088 280 T CA -0.830 61.400 62.100 0.215 0.000 1.120 280 T CB 0.688 69.674 68.868 0.196 0.000 1.000 280 T HN 0.328 nan 8.240 nan 0.000 0.550 281 P HA -0.063 nan 4.420 nan 0.000 0.218 281 P C 1.831 179.208 177.300 0.129 0.000 1.148 281 P CA 0.941 64.146 63.100 0.176 0.000 0.822 281 P CB -0.066 31.746 31.700 0.187 0.000 0.784 282 S N -0.938 114.828 115.700 0.110 0.000 2.354 282 S HA -0.165 4.306 4.470 0.002 0.000 0.219 282 S C 1.954 176.617 174.600 0.106 0.000 1.035 282 S CA 2.103 60.351 58.200 0.081 0.000 1.037 282 S CB -1.462 61.782 63.200 0.073 0.000 0.956 282 S HN 0.252 nan 8.310 nan 0.000 0.428 283 T N 2.109 116.743 114.554 0.134 0.000 2.833 283 T HA -0.095 4.257 4.350 0.002 0.000 0.269 283 T C 1.393 176.214 174.700 0.201 0.000 1.054 283 T CA 1.183 63.368 62.100 0.142 0.000 1.135 283 T CB -0.517 68.428 68.868 0.127 0.000 0.869 283 T HN 0.286 nan 8.240 nan 0.000 0.466 284 D N 1.351 121.904 120.400 0.254 0.000 2.116 284 D HA -0.089 4.552 4.640 0.002 0.000 0.193 284 D C 2.175 178.649 176.300 0.292 0.000 0.998 284 D CA 1.217 55.433 54.000 0.360 0.000 0.836 284 D CB -0.118 40.876 40.800 0.323 0.000 0.951 284 D HN 0.393 nan 8.370 nan 0.000 0.449 285 K N 0.394 120.898 120.400 0.174 0.000 2.097 285 K HA -0.056 4.265 4.320 0.002 0.000 0.205 285 K C 2.246 178.941 176.600 0.158 0.000 1.050 285 K CA 0.745 57.105 56.287 0.122 0.000 0.938 285 K CB -0.143 32.373 32.500 0.027 0.000 0.718 285 K HN -0.057 nan 8.250 nan 0.000 0.442 286 S N 1.452 117.233 115.700 0.135 0.000 2.353 286 S HA -0.161 4.310 4.470 0.002 0.000 0.222 286 S C 1.968 176.649 174.600 0.135 0.000 1.035 286 S CA 1.181 59.448 58.200 0.112 0.000 1.025 286 S CB -0.246 63.009 63.200 0.092 0.000 0.902 286 S HN 0.204 nan 8.310 nan 0.000 0.440 287 I N 0.015 120.695 120.570 0.183 0.000 2.226 287 I HA -0.168 4.003 4.170 0.002 0.000 0.245 287 I C 2.297 178.539 176.117 0.209 0.000 1.100 287 I CA 1.806 63.231 61.300 0.209 0.000 1.374 287 I CB -0.566 37.611 38.000 0.295 0.000 1.057 287 I HN 0.426 nan 8.210 nan 0.000 0.413 288 Y N 2.093 122.425 120.300 0.052 0.000 2.165 288 Y HA -0.342 4.209 4.550 0.002 0.000 0.286 288 Y C 2.201 178.032 175.900 -0.115 0.000 1.155 288 Y CA 1.994 59.965 58.100 -0.214 0.000 1.164 288 Y CB -0.248 38.064 38.460 -0.247 0.000 0.978 288 Y HN 0.212 nan 8.280 nan 0.000 0.513 289 D N -0.027 120.443 120.400 0.117 0.000 2.117 289 D HA -0.150 4.491 4.640 0.002 0.000 0.198 289 D C 2.040 178.310 176.300 -0.049 0.000 0.982 289 D CA 1.445 55.456 54.000 0.019 0.000 0.828 289 D CB -0.225 40.614 40.800 0.065 0.000 0.967 289 D HN 0.387 nan 8.370 nan 0.000 0.464 290 K N 0.356 120.758 120.400 0.003 0.000 2.057 290 K HA -0.083 4.238 4.320 0.002 0.000 0.207 290 K C 2.181 178.770 176.600 -0.018 0.000 1.049 290 K CA 0.652 56.944 56.287 0.008 0.000 0.931 290 K CB -0.128 32.402 32.500 0.050 0.000 0.714 290 K HN -0.016 nan 8.250 nan 0.000 0.440 291 V N 1.655 121.551 119.914 -0.031 0.000 2.295 291 V HA -0.242 3.879 4.120 0.002 0.000 0.246 291 V C 2.193 178.172 176.094 -0.191 0.000 1.049 291 V CA 1.474 63.739 62.300 -0.058 0.000 1.024 291 V CB -0.417 31.398 31.823 -0.014 0.000 0.648 291 V HN 0.281 nan 8.190 nan 0.000 0.447 292 L N 0.178 121.211 121.223 -0.317 0.000 2.042 292 L HA -0.210 4.131 4.340 0.002 0.000 0.210 292 L C 2.408 179.108 176.870 -0.283 0.000 1.076 292 L CA 2.225 56.727 54.840 -0.565 0.000 0.749 292 L CB -0.931 40.713 42.059 -0.693 0.000 0.893 292 L HN 0.341 nan 8.230 nan 0.000 0.432 293 Q N -0.197 119.501 119.800 -0.170 0.000 2.084 293 Q HA -0.187 4.154 4.340 0.002 0.000 0.202 293 Q C 2.067 178.029 176.000 -0.064 0.000 0.978 293 Q CA 1.851 57.591 55.803 -0.104 0.000 0.844 293 Q CB -0.383 28.315 28.738 -0.067 0.000 0.898 293 Q HN 0.588 nan 8.270 nan 0.000 0.426 294 N N -0.655 118.036 118.700 -0.015 0.000 2.120 294 N HA -0.129 4.612 4.740 0.002 0.000 0.188 294 N C 1.360 176.909 175.510 0.065 0.000 1.024 294 N CA 1.037 54.090 53.050 0.004 0.000 0.852 294 N CB -0.348 38.188 38.487 0.082 0.000 1.003 294 N HN 0.239 nan 8.380 nan 0.000 0.424 295 F N 1.777 121.653 119.950 -0.124 0.000 2.234 295 F HA 0.024 4.552 4.527 0.002 0.000 0.299 295 F C 2.316 178.001 175.800 -0.192 0.000 1.087 295 F CA 0.624 58.580 58.000 -0.073 0.000 1.340 295 F CB -0.402 38.685 39.000 0.144 0.000 1.031 295 F HN -0.016 nan 8.300 nan 0.000 0.500 296 R N -0.413 120.061 120.500 -0.044 0.000 2.096 296 R HA -0.108 4.233 4.340 0.002 0.000 0.235 296 R C 2.554 178.732 176.300 -0.202 0.000 1.127 296 R CA 1.197 57.198 56.100 -0.165 0.000 0.968 296 R CB -1.125 29.086 30.300 -0.147 0.000 0.861 296 R HN 0.364 nan 8.270 nan 0.000 0.440 297 G N 1.365 110.051 108.800 -0.190 0.000 2.422 297 G HA2 -0.187 3.774 3.960 0.002 0.000 0.218 297 G HA3 -0.187 3.774 3.960 0.002 0.000 0.218 297 G C 1.367 176.076 174.900 -0.320 0.000 1.146 297 G CA 0.378 45.343 45.100 -0.224 0.000 0.769 297 G HN 0.060 nan 8.290 nan 0.000 0.547 298 I N 0.667 120.978 120.570 -0.431 0.000 2.233 298 I HA -0.061 4.110 4.170 0.002 0.000 0.243 298 I C 2.866 178.764 176.117 -0.365 0.000 1.093 298 I CA 0.605 61.572 61.300 -0.555 0.000 1.380 298 I CB -1.210 36.288 38.000 -0.837 0.000 1.067 298 I HN 0.099 nan 8.210 nan 0.000 0.413 299 V N 1.511 121.144 119.914 -0.469 0.000 2.469 299 V HA -0.316 3.805 4.120 0.002 0.000 0.251 299 V C 2.215 178.128 176.094 -0.301 0.000 1.064 299 V CA 2.584 64.480 62.300 -0.673 0.000 1.066 299 V CB -0.449 30.656 31.823 -1.198 0.000 0.667 299 V HN 0.401 nan 8.190 nan 0.000 0.461 300 D N -0.551 119.702 120.400 -0.244 0.000 2.144 300 D HA -0.170 4.471 4.640 0.002 0.000 0.200 300 D C 2.343 178.590 176.300 -0.088 0.000 0.978 300 D CA 1.401 55.318 54.000 -0.139 0.000 0.833 300 D CB -0.145 40.578 40.800 -0.128 0.000 0.961 300 D HN 0.416 nan 8.370 nan 0.000 0.470 301 R N -0.321 120.110 120.500 -0.114 0.000 2.081 301 R HA -0.036 4.305 4.340 0.002 0.000 0.235 301 R C 2.478 178.789 176.300 0.018 0.000 1.131 301 R CA 0.878 56.947 56.100 -0.053 0.000 0.960 301 R CB -0.322 29.918 30.300 -0.100 0.000 0.856 301 R HN 0.300 nan 8.270 nan 0.000 0.436 302 L N 0.872 122.118 121.223 0.040 0.000 2.127 302 L HA -0.188 4.153 4.340 0.002 0.000 0.211 302 L C 1.490 178.462 176.870 0.170 0.000 1.089 302 L CA 1.005 55.908 54.840 0.105 0.000 0.757 302 L CB -0.446 41.589 42.059 -0.040 0.000 0.899 302 L HN 0.253 nan 8.230 nan 0.000 0.434 303 N N -0.049 118.736 118.700 0.143 0.000 2.461 303 N HA -0.055 4.686 4.740 0.002 0.000 0.188 303 N C 1.346 176.891 175.510 0.059 0.000 1.134 303 N CA 0.741 53.878 53.050 0.145 0.000 0.878 303 N CB 0.344 38.883 38.487 0.086 0.000 0.972 303 N HN 0.443 nan 8.380 nan 0.000 0.456 304 K N -0.285 120.129 120.400 0.023 0.000 2.435 304 K HA 0.149 4.471 4.320 0.002 0.000 0.199 304 K C 0.276 176.848 176.600 -0.047 0.000 1.153 304 K CA -0.108 56.172 56.287 -0.011 0.000 0.974 304 K CB 1.127 33.614 32.500 -0.021 0.000 0.997 304 K HN -0.147 nan 8.250 nan 0.000 0.547 305 V N 2.680 122.540 119.914 -0.090 0.000 2.644 305 V HA -0.072 4.050 4.120 0.002 0.000 0.305 305 V C 0.630 176.617 176.094 -0.177 0.000 1.053 305 V CA 0.825 62.980 62.300 -0.243 0.000 1.186 305 V CB 0.316 31.790 31.823 -0.582 0.000 0.895 305 V HN 0.225 nan 8.190 nan 0.000 0.490 306 L N 5.947 127.072 121.223 -0.163 0.000 2.713 306 L HA 0.461 4.802 4.340 0.002 0.000 0.223 306 L C 0.299 177.131 176.870 -0.062 0.000 1.040 306 L CA 0.323 55.115 54.840 -0.079 0.000 0.894 306 L CB 0.770 42.803 42.059 -0.044 0.000 1.361 306 L HN 0.522 nan 8.230 nan 0.000 0.490 307 V N -1.004 118.865 119.914 -0.075 0.000 3.181 307 V HA 0.511 4.632 4.120 0.002 0.000 0.308 307 V C -1.853 174.248 176.094 0.012 0.000 1.214 307 V CA -0.902 61.388 62.300 -0.016 0.000 1.053 307 V CB 2.565 34.387 31.823 -0.003 0.000 1.069 307 V HN 0.209 nan 8.190 nan 0.000 0.441 308 C N 6.639 125.979 119.300 0.066 0.000 2.407 308 C HA 0.517 4.978 4.460 0.002 0.000 0.328 308 C C 1.257 176.277 174.990 0.051 0.000 1.137 308 C CA -0.571 58.508 59.018 0.102 0.000 1.390 308 C CB -0.075 27.752 27.740 0.144 0.000 1.989 308 C HN 0.863 nan 8.230 nan 0.000 0.432 309 I N 4.499 125.091 120.570 0.036 0.000 2.480 309 I HA 0.036 4.207 4.170 0.002 0.000 0.251 309 I C 2.122 178.243 176.117 0.007 0.000 1.124 309 I CA 2.114 63.423 61.300 0.016 0.000 1.444 309 I CB -1.801 36.204 38.000 0.008 0.000 1.098 309 I HN 0.700 nan 8.210 nan 0.000 0.428 310 S N 1.084 116.788 115.700 0.008 0.000 2.365 310 S HA -0.228 4.243 4.470 0.002 0.000 0.225 310 S C 0.953 175.544 174.600 -0.016 0.000 1.039 310 S CA 1.445 59.639 58.200 -0.010 0.000 1.033 310 S CB -0.709 62.487 63.200 -0.007 0.000 0.887 310 S HN 0.642 nan 8.310 nan 0.000 0.447 311 D N 1.443 121.842 120.400 -0.001 0.000 2.420 311 D HA 0.464 5.105 4.640 0.002 0.000 0.255 311 D C -2.462 173.845 176.300 0.011 0.000 1.185 311 D CA -2.578 51.419 54.000 -0.005 0.000 0.904 311 D CB 1.706 42.506 40.800 -0.001 0.000 1.102 311 D HN -0.070 nan 8.370 nan 0.000 0.534 312 P HA -0.046 nan 4.420 nan 0.000 0.223 312 P C 0.689 178.004 177.300 0.025 0.000 1.144 312 P CA 0.796 63.906 63.100 0.017 0.000 0.783 312 P CB 0.273 31.978 31.700 0.009 0.000 0.771 313 N N -1.407 117.307 118.700 0.024 0.000 2.412 313 N HA 0.023 4.765 4.740 0.002 0.000 0.184 313 N C 0.212 175.755 175.510 0.056 0.000 1.101 313 N CA -0.057 53.015 53.050 0.036 0.000 0.881 313 N CB -0.050 38.456 38.487 0.031 0.000 0.969 313 N HN -0.099 nan 8.380 nan 0.000 0.459 314 I N 1.677 122.275 120.570 0.047 0.000 2.598 314 I HA -0.067 4.104 4.170 0.002 0.000 0.284 314 I C 0.359 176.525 176.117 0.082 0.000 1.140 314 I CA 0.159 61.480 61.300 0.035 0.000 1.420 314 I CB 0.018 37.963 38.000 -0.092 0.000 1.387 314 I HN 0.202 nan 8.210 nan 0.000 0.553 315 N N 7.700 126.489 118.700 0.148 0.000 2.415 315 N HA 0.091 4.832 4.740 0.002 0.000 0.246 315 N C 0.976 176.626 175.510 0.234 0.000 1.078 315 N CA -0.422 52.725 53.050 0.162 0.000 0.942 315 N CB 0.771 39.341 38.487 0.138 0.000 1.140 315 N HN 0.318 nan 8.380 nan 0.000 0.501 316 I N 2.679 123.382 120.570 0.222 0.000 2.194 316 I HA -0.300 3.872 4.170 0.002 0.000 0.246 316 I C 1.667 177.968 176.117 0.306 0.000 1.093 316 I CA 1.010 62.500 61.300 0.317 0.000 1.355 316 I CB -0.917 37.206 38.000 0.205 0.000 1.046 316 I HN 0.556 nan 8.210 nan 0.000 0.413 317 N N 1.064 119.885 118.700 0.201 0.000 2.084 317 N HA -0.137 4.604 4.740 0.002 0.000 0.190 317 N C 1.935 177.526 175.510 0.136 0.000 1.030 317 N CA 1.150 54.302 53.050 0.170 0.000 0.849 317 N CB -0.229 38.328 38.487 0.118 0.000 1.012 317 N HN 0.237 nan 8.380 nan 0.000 0.423 318 I N 0.724 121.351 120.570 0.095 0.000 2.194 318 I HA -0.276 3.895 4.170 0.002 0.000 0.246 318 I C 1.956 177.967 176.117 -0.177 0.000 1.093 318 I CA 1.326 62.606 61.300 -0.033 0.000 1.355 318 I CB -1.152 36.818 38.000 -0.050 0.000 1.046 318 I HN 0.112 nan 8.210 nan 0.000 0.413 319 Y N 0.954 121.161 120.300 -0.155 0.000 2.243 319 Y HA -0.104 4.447 4.550 0.002 0.000 0.293 319 Y C 2.598 178.383 175.900 -0.193 0.000 1.124 319 Y CA 1.205 59.068 58.100 -0.395 0.000 1.159 319 Y CB -0.333 37.797 38.460 -0.551 0.000 1.008 319 Y HN 0.076 nan 8.280 nan 0.000 0.527 320 K N 0.009 120.577 120.400 0.280 0.000 2.103 320 K HA -0.183 4.138 4.320 0.002 0.000 0.207 320 K C 1.655 178.342 176.600 0.144 0.000 1.048 320 K CA 1.475 57.942 56.287 0.300 0.000 0.930 320 K CB -0.136 32.568 32.500 0.339 0.000 0.716 320 K HN 0.294 nan 8.250 nan 0.000 0.444 321 N N 1.062 119.819 118.700 0.095 0.000 2.106 321 N HA -0.163 4.579 4.740 0.002 0.000 0.188 321 N C 1.647 177.133 175.510 -0.040 0.000 1.029 321 N CA 1.135 54.223 53.050 0.063 0.000 0.848 321 N CB -0.232 38.273 38.487 0.030 0.000 1.007 321 N HN 0.011 nan 8.380 nan 0.000 0.423 322 K N 0.995 121.267 120.400 -0.214 0.000 2.009 322 K HA 0.023 4.344 4.320 0.002 0.000 0.210 322 K C 1.950 178.431 176.600 -0.198 0.000 1.049 322 K CA 1.255 57.346 56.287 -0.327 0.000 0.929 322 K CB -0.790 31.314 32.500 -0.659 0.000 0.714 322 K HN 0.193 nan 8.250 nan 0.000 0.440 323 F N 1.058 120.976 119.950 -0.053 0.000 2.171 323 F HA -0.180 4.348 4.527 0.002 0.000 0.300 323 F C 2.376 178.182 175.800 0.011 0.000 1.090 323 F CA 1.134 59.161 58.000 0.044 0.000 1.293 323 F CB -0.164 38.971 39.000 0.226 0.000 1.013 323 F HN 0.139 nan 8.300 nan 0.000 0.486 324 K N 0.867 121.356 120.400 0.150 0.000 2.057 324 K HA -0.270 4.051 4.320 0.002 0.000 0.207 324 K C 1.632 178.264 176.600 0.054 0.000 1.049 324 K CA 2.251 58.597 56.287 0.098 0.000 0.931 324 K CB -0.355 32.239 32.500 0.157 0.000 0.714 324 K HN 0.227 nan 8.250 nan 0.000 0.440 325 D N 0.333 120.754 120.400 0.034 0.000 2.149 325 D HA -0.153 4.488 4.640 0.002 0.000 0.201 325 D C 2.010 178.281 176.300 -0.048 0.000 0.972 325 D CA 1.115 55.120 54.000 0.009 0.000 0.835 325 D CB 0.112 40.908 40.800 -0.006 0.000 0.966 325 D HN 0.212 nan 8.370 nan 0.000 0.476 326 K N -0.745 119.586 120.400 -0.116 0.000 2.009 326 K HA -0.208 4.113 4.320 0.002 0.000 0.210 326 K C 1.253 177.645 176.600 -0.347 0.000 1.049 326 K CA 1.349 57.477 56.287 -0.265 0.000 0.929 326 K CB -0.263 31.970 32.500 -0.446 0.000 0.714 326 K HN 0.308 nan 8.250 nan 0.000 0.440 327 Y N 0.722 120.787 120.300 -0.392 0.000 2.490 327 Y HA 0.145 4.696 4.550 0.002 0.000 0.281 327 Y C 0.112 175.767 175.900 -0.409 0.000 1.174 327 Y CA -0.095 57.610 58.100 -0.658 0.000 1.295 327 Y CB 0.580 38.012 38.460 -1.713 0.000 1.062 327 Y HN -0.002 nan 8.280 nan 0.000 0.522 328 K N -0.362 119.994 120.400 -0.074 0.000 3.129 328 K HA -0.221 4.100 4.320 0.002 0.000 0.273 328 K C -0.489 176.277 176.600 0.276 0.000 1.123 328 K CA 0.538 56.896 56.287 0.118 0.000 0.800 328 K CB -2.442 30.169 32.500 0.185 0.000 1.238 328 K HN 0.423 nan 8.250 nan 0.000 0.492 329 F N 0.101 120.197 119.950 0.245 0.000 2.444 329 F HA 0.189 4.717 4.527 0.002 0.000 0.331 329 F C 1.649 177.591 175.800 0.236 0.000 1.167 329 F CA -1.028 57.109 58.000 0.228 0.000 1.262 329 F CB 0.659 39.771 39.000 0.186 0.000 1.196 329 F HN -0.128 nan 8.300 nan 0.000 0.583 330 V N -0.281 119.891 119.914 0.429 0.000 2.547 330 V HA 0.498 4.619 4.120 0.002 0.000 0.299 330 V C -0.714 175.544 176.094 0.272 0.000 1.040 330 V CA -0.846 61.631 62.300 0.295 0.000 0.913 330 V CB 1.616 33.558 31.823 0.199 0.000 0.992 330 V HN 0.834 nan 8.190 nan 0.000 0.449 331 E N 2.732 123.049 120.200 0.196 0.000 2.187 331 E HA 0.416 4.767 4.350 0.002 0.000 0.268 331 E C -0.944 175.645 176.600 -0.019 0.000 0.896 331 E CA -0.715 55.698 56.400 0.021 0.000 0.766 331 E CB 1.692 31.371 29.700 -0.035 0.000 1.142 331 E HN 0.977 nan 8.360 nan 0.000 0.408 332 D N 2.323 122.682 120.400 -0.068 0.000 2.377 332 D HA -0.048 4.594 4.640 0.002 0.000 0.245 332 D C 0.969 177.239 176.300 -0.051 0.000 1.196 332 D CA -0.078 53.899 54.000 -0.039 0.000 0.962 332 D CB 1.022 41.798 40.800 -0.039 0.000 1.127 332 D HN 0.374 nan 8.370 nan 0.000 0.471 333 S N -1.138 114.547 115.700 -0.025 0.000 2.500 333 S HA -0.243 4.228 4.470 0.002 0.000 0.239 333 S C 1.360 175.940 174.600 -0.033 0.000 0.989 333 S CA 1.126 59.314 58.200 -0.020 0.000 0.951 333 S CB -0.567 62.629 63.200 -0.006 0.000 0.759 333 S HN 0.706 nan 8.310 nan 0.000 0.523 334 E N 0.869 121.040 120.200 -0.049 0.000 2.447 334 E HA 0.268 4.620 4.350 0.002 0.000 0.195 334 E C 1.278 177.824 176.600 -0.090 0.000 1.028 334 E CA 0.467 56.835 56.400 -0.054 0.000 0.876 334 E CB -0.277 29.396 29.700 -0.045 0.000 0.885 334 E HN 0.646 nan 8.360 nan 0.000 0.500 335 G N 1.654 110.365 108.800 -0.148 0.000 2.176 335 G HA2 -0.253 3.708 3.960 0.002 0.000 0.232 335 G HA3 -0.253 3.708 3.960 0.002 0.000 0.232 335 G C 0.134 174.758 174.900 -0.461 0.000 0.986 335 G CA 0.201 45.138 45.100 -0.272 0.000 0.643 335 G HN 0.158 nan 8.290 nan 0.000 0.522 336 K N 0.982 121.208 120.400 -0.289 0.000 2.349 336 K HA 0.565 4.886 4.320 0.002 0.000 0.288 336 K C -0.140 176.307 176.600 -0.254 0.000 1.058 336 K CA -0.340 55.807 56.287 -0.234 0.000 0.953 336 K CB -0.122 32.318 32.500 -0.100 0.000 0.997 336 K HN 0.284 nan 8.250 nan 0.000 0.477 337 Y N 1.714 122.019 120.300 0.009 0.000 2.310 337 Y HA 0.342 4.893 4.550 0.002 0.000 0.326 337 Y C 0.693 176.533 175.900 -0.099 0.000 1.151 337 Y CA -0.176 57.923 58.100 -0.001 0.000 1.195 337 Y CB 1.528 40.002 38.460 0.024 0.000 1.210 337 Y HN 0.660 nan 8.280 nan 0.000 0.483 338 S N 1.817 117.557 115.700 0.067 0.000 2.570 338 S HA 0.598 5.070 4.470 0.002 0.000 0.270 338 S C -1.188 173.395 174.600 -0.028 0.000 1.149 338 S CA -1.031 57.136 58.200 -0.054 0.000 0.837 338 S CB 1.011 64.205 63.200 -0.010 0.000 1.124 338 S HN 0.554 nan 8.310 nan 0.000 0.465 339 I N 2.404 122.925 120.570 -0.082 0.000 2.471 339 I HA 0.185 4.356 4.170 0.002 0.000 0.286 339 I C 0.018 176.210 176.117 0.126 0.000 1.079 339 I CA 0.055 61.395 61.300 0.066 0.000 1.398 339 I CB 0.465 38.451 38.000 -0.023 0.000 1.403 339 I HN 0.681 nan 8.210 nan 0.000 0.530 340 D N 6.478 127.017 120.400 0.232 0.000 2.317 340 D HA 0.117 4.758 4.640 0.002 0.000 0.234 340 D C 0.899 177.344 176.300 0.242 0.000 1.112 340 D CA -0.395 53.727 54.000 0.204 0.000 0.840 340 D CB 1.913 42.846 40.800 0.220 0.000 1.078 340 D HN 0.262 nan 8.370 nan 0.000 0.486 341 V N 4.412 124.438 119.914 0.188 0.000 2.332 341 V HA -0.253 3.868 4.120 0.002 0.000 0.248 341 V C 2.099 178.364 176.094 0.285 0.000 1.055 341 V CA 1.650 64.088 62.300 0.230 0.000 1.038 341 V CB -0.497 31.423 31.823 0.162 0.000 0.651 341 V HN 0.527 nan 8.190 nan 0.000 0.450 342 E N 1.078 121.410 120.200 0.219 0.000 2.012 342 E HA -0.192 4.159 4.350 0.002 0.000 0.197 342 E C 2.524 179.264 176.600 0.234 0.000 1.007 342 E CA 1.892 58.414 56.400 0.202 0.000 0.816 342 E CB -0.692 29.100 29.700 0.153 0.000 0.762 342 E HN 0.727 nan 8.360 nan 0.000 0.451 343 S N 0.275 116.118 115.700 0.238 0.000 2.365 343 S HA -0.271 4.201 4.470 0.002 0.000 0.225 343 S C 2.078 176.848 174.600 0.284 0.000 1.039 343 S CA 1.364 59.710 58.200 0.242 0.000 1.033 343 S CB -0.819 62.530 63.200 0.249 0.000 0.887 343 S HN 0.331 nan 8.310 nan 0.000 0.447 344 F N 2.896 122.981 119.950 0.224 0.000 2.046 344 F HA -0.087 4.441 4.527 0.002 0.000 0.297 344 F C 2.122 178.042 175.800 0.200 0.000 1.123 344 F CA 2.113 60.249 58.000 0.226 0.000 1.199 344 F CB -1.122 37.991 39.000 0.188 0.000 0.972 344 F HN 0.262 nan 8.300 nan 0.000 0.474 345 D N 0.130 120.703 120.400 0.288 0.000 2.126 345 D HA -0.305 4.336 4.640 0.002 0.000 0.190 345 D C 2.292 178.691 176.300 0.165 0.000 1.001 345 D CA 2.257 56.408 54.000 0.252 0.000 0.841 345 D CB -0.311 40.691 40.800 0.337 0.000 0.949 345 D HN 0.347 nan 8.370 nan 0.000 0.446 346 K N -0.527 119.983 120.400 0.183 0.000 2.097 346 K HA -0.154 4.167 4.320 0.002 0.000 0.206 346 K C 2.155 178.785 176.600 0.049 0.000 1.049 346 K CA 0.872 57.290 56.287 0.217 0.000 0.933 346 K CB -0.232 32.403 32.500 0.225 0.000 0.717 346 K HN 0.185 nan 8.250 nan 0.000 0.442 347 L N 0.508 121.717 121.223 -0.023 0.000 2.056 347 L HA -0.151 4.190 4.340 0.002 0.000 0.207 347 L C 2.137 178.849 176.870 -0.264 0.000 1.078 347 L CA 1.597 56.362 54.840 -0.125 0.000 0.749 347 L CB -0.709 41.333 42.059 -0.029 0.000 0.901 347 L HN 0.252 nan 8.230 nan 0.000 0.433 348 Y N 0.474 120.483 120.300 -0.486 0.000 2.145 348 Y HA -0.244 4.307 4.550 0.001 0.000 0.286 348 Y C 2.382 178.026 175.900 -0.427 0.000 1.145 348 Y CA 2.091 59.861 58.100 -0.550 0.000 1.148 348 Y CB -0.105 37.924 38.460 -0.718 0.000 0.981 348 Y HN 0.154 nan 8.280 nan 0.000 0.507 349 K N -0.545 119.793 120.400 -0.103 0.000 2.097 349 K HA -0.133 4.189 4.320 0.002 0.000 0.206 349 K C 2.308 178.568 176.600 -0.567 0.000 1.049 349 K CA 1.390 57.626 56.287 -0.086 0.000 0.933 349 K CB -0.286 32.488 32.500 0.456 0.000 0.717 349 K HN 0.202 nan 8.250 nan 0.000 0.442 350 S N 1.480 116.657 115.700 -0.872 0.000 2.368 350 S HA -0.067 4.404 4.470 0.002 0.000 0.225 350 S C 1.901 176.167 174.600 -0.557 0.000 1.030 350 S CA 1.091 58.620 58.200 -1.119 0.000 0.999 350 S CB -0.126 62.605 63.200 -0.781 0.000 0.844 350 S HN 0.207 nan 8.310 nan 0.000 0.459 351 L N 0.049 121.000 121.223 -0.454 0.000 2.270 351 L HA 0.093 4.434 4.340 0.002 0.000 0.210 351 L C 2.186 178.890 176.870 -0.276 0.000 1.104 351 L CA 0.581 55.260 54.840 -0.268 0.000 0.804 351 L CB -0.285 41.565 42.059 -0.348 0.000 0.937 351 L HN 0.308 nan 8.230 nan 0.000 0.450 352 M N -1.562 117.596 119.600 -0.738 0.000 2.545 352 M HA 0.110 4.591 4.480 0.002 0.000 0.264 352 M C 1.586 177.424 176.300 -0.771 0.000 1.155 352 M CA 1.367 56.092 55.300 -0.960 0.000 1.162 352 M CB -0.256 31.250 32.600 -1.824 0.000 1.330 352 M HN 0.151 nan 8.290 nan 0.000 0.479 353 F N -1.603 118.195 119.950 -0.254 0.000 2.752 353 F HA 0.339 4.868 4.527 0.002 0.000 0.310 353 F C 2.144 177.884 175.800 -0.100 0.000 1.097 353 F CA -0.056 57.858 58.000 -0.144 0.000 1.238 353 F CB -0.251 38.697 39.000 -0.085 0.000 1.061 353 F HN 0.122 nan 8.300 nan 0.000 0.591 354 G N 0.589 109.313 108.800 -0.126 0.000 2.439 354 G HA2 -0.037 3.924 3.960 0.002 0.000 0.212 354 G HA3 -0.037 3.924 3.960 0.002 0.000 0.212 354 G C 0.209 174.927 174.900 -0.304 0.000 1.199 354 G CA 0.013 44.962 45.100 -0.252 0.000 0.807 354 G HN 0.144 nan 8.290 nan 0.000 0.537 355 F N 2.777 122.635 119.950 -0.155 0.000 2.509 355 F HA 0.400 4.928 4.527 0.002 0.000 0.350 355 F C 0.759 176.476 175.800 -0.137 0.000 1.220 355 F CA -0.292 57.617 58.000 -0.151 0.000 1.151 355 F CB 0.509 39.383 39.000 -0.210 0.000 1.379 355 F HN 0.021 nan 8.300 nan 0.000 0.610 356 T N -2.037 112.534 114.554 0.027 0.000 2.906 356 T HA 0.257 4.608 4.350 0.002 0.000 0.295 356 T C 0.798 175.449 174.700 -0.083 0.000 1.075 356 T CA -0.858 61.232 62.100 -0.018 0.000 1.005 356 T CB 1.986 70.858 68.868 0.008 0.000 1.136 356 T HN 0.519 nan 8.240 nan 0.000 0.498 357 E N 0.882 120.999 120.200 -0.138 0.000 2.085 357 E HA -0.177 4.174 4.350 0.002 0.000 0.194 357 E C 1.624 178.053 176.600 -0.285 0.000 0.994 357 E CA 1.899 58.182 56.400 -0.195 0.000 0.801 357 E CB -0.355 29.224 29.700 -0.202 0.000 0.743 357 E HN 0.787 nan 8.360 nan 0.000 0.453 358 T N 1.197 115.523 114.554 -0.379 0.000 2.652 358 T HA -0.144 4.207 4.350 0.002 0.000 0.267 358 T C 1.609 176.223 174.700 -0.143 0.000 1.039 358 T CA 1.435 63.352 62.100 -0.305 0.000 1.153 358 T CB -0.320 68.396 68.868 -0.254 0.000 0.863 358 T HN 0.180 nan 8.240 nan 0.000 0.428 359 N N 0.971 119.618 118.700 -0.089 0.000 2.120 359 N HA 0.048 4.789 4.740 0.002 0.000 0.188 359 N C 1.893 177.398 175.510 -0.009 0.000 1.024 359 N CA 0.850 53.877 53.050 -0.038 0.000 0.852 359 N CB -0.402 38.067 38.487 -0.030 0.000 1.003 359 N HN 0.393 nan 8.380 nan 0.000 0.424 360 I N 0.854 121.411 120.570 -0.022 0.000 2.252 360 I HA -0.196 3.976 4.170 0.002 0.000 0.245 360 I C 2.252 178.391 176.117 0.037 0.000 1.102 360 I CA 0.820 62.130 61.300 0.016 0.000 1.385 360 I CB -0.308 37.643 38.000 -0.081 0.000 1.064 360 I HN 0.051 nan 8.210 nan 0.000 0.414 361 A N 0.222 123.013 122.820 -0.048 0.000 1.908 361 A HA -0.249 4.072 4.320 0.002 0.000 0.218 361 A C 2.323 179.933 177.584 0.044 0.000 1.181 361 A CA 1.686 53.703 52.037 -0.034 0.000 0.627 361 A CB -0.513 18.406 19.000 -0.135 0.000 0.818 361 A HN 0.365 nan 8.150 nan 0.000 0.445 362 E N 0.284 120.499 120.200 0.025 0.000 2.077 362 E HA -0.215 4.136 4.350 0.002 0.000 0.193 362 E C 1.865 178.522 176.600 0.095 0.000 0.989 362 E CA 1.588 58.022 56.400 0.055 0.000 0.800 362 E CB -0.379 29.333 29.700 0.021 0.000 0.746 362 E HN 0.658 nan 8.360 nan 0.000 0.452 363 N N -0.816 117.957 118.700 0.121 0.000 2.188 363 N HA -0.158 4.583 4.740 0.002 0.000 0.184 363 N C 1.124 176.696 175.510 0.104 0.000 1.018 363 N CA 0.964 54.082 53.050 0.113 0.000 0.858 363 N CB -0.161 38.415 38.487 0.148 0.000 0.989 363 N HN 0.093 nan 8.380 nan 0.000 0.426 364 Y N 0.724 121.034 120.300 0.016 0.000 2.461 364 Y HA 0.309 4.860 4.550 0.002 0.000 0.277 364 Y C 0.104 176.041 175.900 0.061 0.000 1.182 364 Y CA -0.063 58.052 58.100 0.025 0.000 1.276 364 Y CB -0.050 38.420 38.460 0.016 0.000 1.087 364 Y HN -0.088 nan 8.280 nan 0.000 0.519 365 K N 0.675 121.202 120.400 0.212 0.000 3.148 365 K HA -0.212 4.109 4.320 0.002 0.000 0.267 365 K C -0.735 176.096 176.600 0.386 0.000 0.996 365 K CA 0.520 56.972 56.287 0.275 0.000 0.737 365 K CB -1.874 30.724 32.500 0.164 0.000 1.308 365 K HN 0.336 nan 8.250 nan 0.000 0.470 366 I N 0.564 121.275 120.570 0.235 0.000 2.530 366 I HA 0.234 4.405 4.170 0.002 0.000 0.297 366 I C 0.279 176.261 176.117 -0.225 0.000 1.011 366 I CA -0.917 60.447 61.300 0.106 0.000 1.107 366 I CB 1.868 39.929 38.000 0.101 0.000 1.285 366 I HN 0.041 nan 8.210 nan 0.000 0.436 367 K N 3.474 123.580 120.400 -0.489 0.000 2.143 367 K HA 0.562 4.883 4.320 0.002 0.000 0.272 367 K C -0.633 175.845 176.600 -0.203 0.000 1.001 367 K CA -0.101 55.770 56.287 -0.695 0.000 0.915 367 K CB 1.529 33.439 32.500 -0.983 0.000 1.047 367 K HN 0.692 nan 8.250 nan 0.000 0.458 368 T N 1.258 115.590 114.554 -0.370 0.000 2.787 368 T HA 0.326 4.677 4.350 0.002 0.000 0.297 368 T C -1.206 172.678 174.700 -1.361 0.000 1.221 368 T CA -0.960 60.713 62.100 -0.712 0.000 1.006 368 T CB 0.756 69.389 68.868 -0.393 0.000 1.328 368 T HN 0.793 nan 8.240 nan 0.000 0.509 369 R N 1.248 120.820 120.500 -1.545 0.000 2.811 369 R HA 0.477 4.818 4.340 0.002 0.000 0.265 369 R C 1.174 177.317 176.300 -0.263 0.000 1.026 369 R CA 0.429 55.945 56.100 -0.973 0.000 1.142 369 R CB -0.009 30.001 30.300 -0.484 0.000 1.027 369 R HN 0.596 nan 8.270 nan 0.000 0.465 370 A N 1.115 123.851 122.820 -0.140 0.000 1.968 370 A HA -0.022 4.299 4.320 0.002 0.000 0.217 370 A C 0.963 178.614 177.584 0.112 0.000 1.169 370 A CA 1.359 53.394 52.037 -0.003 0.000 0.638 370 A CB -0.072 18.915 19.000 -0.022 0.000 0.812 370 A HN 0.837 nan 8.150 nan 0.000 0.446 371 S N -4.168 111.478 115.700 -0.091 0.000 2.552 371 S HA 0.340 4.812 4.470 0.002 0.000 0.272 371 S C 0.195 174.331 174.600 -0.774 0.000 1.150 371 S CA -0.049 57.956 58.200 -0.325 0.000 0.849 371 S CB 0.051 63.198 63.200 -0.089 0.000 1.113 371 S HN 0.549 nan 8.310 nan 0.000 0.458 372 Y N 3.362 122.900 120.300 -1.270 0.000 2.181 372 Y HA -0.002 4.548 4.550 0.001 0.000 0.284 372 Y C 0.381 175.798 175.900 -0.806 0.000 1.179 372 Y CA 1.852 59.307 58.100 -1.074 0.000 1.179 372 Y CB -0.137 37.786 38.460 -0.895 0.000 0.973 372 Y HN 0.607 nan 8.280 nan 0.000 0.519 373 F N 1.679 121.364 119.950 -0.442 0.000 2.669 373 F HA 0.237 4.766 4.527 0.004 0.000 0.353 373 F C 0.249 175.756 175.800 -0.488 0.000 1.192 373 F CA -0.108 57.600 58.000 -0.487 0.000 1.317 373 F CB -0.385 38.362 39.000 -0.422 0.000 1.652 373 F HN -0.049 nan 8.300 nan 0.000 0.608 374 S N -1.138 114.342 115.700 -0.366 0.000 2.521 374 S HA 0.418 4.889 4.470 0.002 0.000 0.295 374 S C -0.786 173.723 174.600 -0.151 0.000 1.098 374 S CA -1.211 56.823 58.200 -0.276 0.000 0.999 374 S CB 1.487 64.549 63.200 -0.230 0.000 1.034 374 S HN 0.111 nan 8.310 nan 0.000 0.483 375 D N 3.164 123.574 120.400 0.016 0.000 2.531 375 D HA 0.158 4.799 4.640 0.002 0.000 0.239 375 D C 0.659 176.973 176.300 0.022 0.000 1.144 375 D CA 0.686 54.723 54.000 0.062 0.000 0.869 375 D CB 0.665 41.562 40.800 0.161 0.000 1.160 375 D HN 0.714 nan 8.370 nan 0.000 0.484 376 S N 1.987 117.681 115.700 -0.010 0.000 2.601 376 S HA 0.615 5.086 4.470 0.002 0.000 0.271 376 S C 0.140 174.759 174.600 0.033 0.000 1.305 376 S CA -0.785 57.411 58.200 -0.006 0.000 1.022 376 S CB 1.081 64.259 63.200 -0.037 0.000 0.940 376 S HN 0.380 nan 8.310 nan 0.000 0.525 377 L N 0.747 121.993 121.223 0.039 0.000 2.230 377 L HA 0.644 4.985 4.340 0.002 0.000 0.255 377 L C -2.430 174.460 176.870 0.033 0.000 1.039 377 L CA -3.007 51.857 54.840 0.039 0.000 0.846 377 L CB 1.868 43.947 42.059 0.035 0.000 1.419 377 L HN 0.470 nan 8.230 nan 0.000 0.435 378 P HA 0.171 nan 4.420 nan 0.000 0.276 378 P C -2.688 174.616 177.300 0.005 0.000 1.235 378 P CA -1.213 61.906 63.100 0.033 0.000 0.772 378 P CB 0.283 32.006 31.700 0.038 0.000 0.871 379 P HA 0.079 nan 4.420 nan 0.000 0.274 379 P C -0.374 176.886 177.300 -0.067 0.000 1.246 379 P CA -0.098 62.987 63.100 -0.024 0.000 0.795 379 P CB 0.801 32.504 31.700 0.005 0.000 1.006 380 V N -2.223 117.618 119.914 -0.123 0.000 3.046 380 V HA 0.601 4.722 4.120 0.002 0.000 0.316 380 V C -0.244 175.707 176.094 -0.239 0.000 1.104 380 V CA -1.175 61.028 62.300 -0.163 0.000 1.006 380 V CB 1.885 33.538 31.823 -0.283 0.000 1.058 380 V HN 0.494 nan 8.190 nan 0.000 0.440 381 K N 2.493 122.731 120.400 -0.270 0.000 2.240 381 K HA 0.485 4.806 4.320 0.002 0.000 0.271 381 K C -0.845 175.556 176.600 -0.332 0.000 1.018 381 K CA -0.793 55.189 56.287 -0.508 0.000 0.874 381 K CB 1.159 33.311 32.500 -0.581 0.000 1.098 381 K HN 0.683 nan 8.250 nan 0.000 0.458 382 I N 4.991 125.363 120.570 -0.330 0.000 2.588 382 I HA -0.022 4.149 4.170 0.002 0.000 0.283 382 I C 1.391 177.424 176.117 -0.140 0.000 1.119 382 I CA 0.390 61.581 61.300 -0.182 0.000 1.419 382 I CB 1.092 39.057 38.000 -0.059 0.000 1.394 382 I HN 0.769 nan 8.210 nan 0.000 0.562 383 K N 3.797 124.152 120.400 -0.076 0.000 2.001 383 K HA -0.123 4.198 4.320 0.002 0.000 0.208 383 K C 0.465 177.055 176.600 -0.017 0.000 1.048 383 K CA 1.357 57.613 56.287 -0.052 0.000 0.932 383 K CB 0.009 32.486 32.500 -0.039 0.000 0.715 383 K HN 0.508 nan 8.250 nan 0.000 0.437 384 N N -0.259 118.452 118.700 0.018 0.000 2.747 384 N HA 0.099 4.841 4.740 0.002 0.000 0.262 384 N C -0.182 175.350 175.510 0.036 0.000 1.261 384 N CA -0.063 53.002 53.050 0.025 0.000 0.809 384 N CB 0.571 39.078 38.487 0.033 0.000 1.450 384 N HN -0.082 nan 8.380 nan 0.000 0.560 385 L N 1.891 123.102 121.223 -0.019 0.000 2.353 385 L HA 0.027 4.368 4.340 0.002 0.000 0.220 385 L C 1.433 178.330 176.870 0.045 0.000 1.133 385 L CA 0.908 55.695 54.840 -0.088 0.000 0.798 385 L CB -0.071 41.839 42.059 -0.249 0.000 0.922 385 L HN 0.566 nan 8.230 nan 0.000 0.445 386 L N -0.846 120.402 121.223 0.043 0.000 2.599 386 L HA 0.042 4.383 4.340 0.002 0.000 0.230 386 L C 0.341 177.249 176.870 0.063 0.000 1.141 386 L CA 0.007 54.881 54.840 0.056 0.000 0.877 386 L CB -0.253 41.828 42.059 0.037 0.000 1.009 386 L HN 0.112 nan 8.230 nan 0.000 0.447 387 D N 0.206 120.653 120.400 0.077 0.000 2.412 387 D HA 0.056 4.697 4.640 0.002 0.000 0.224 387 D C 0.796 177.149 176.300 0.089 0.000 1.093 387 D CA -0.208 53.836 54.000 0.074 0.000 0.850 387 D CB 0.684 41.528 40.800 0.073 0.000 1.046 387 D HN -0.061 nan 8.370 nan 0.000 0.507 388 N N 2.643 121.381 118.700 0.063 0.000 2.585 388 N HA -0.168 4.573 4.740 0.002 0.000 0.188 388 N C 1.086 176.628 175.510 0.053 0.000 1.102 388 N CA 0.394 53.472 53.050 0.047 0.000 0.920 388 N CB 0.313 38.813 38.487 0.022 0.000 0.963 388 N HN 0.533 nan 8.380 nan 0.000 0.447 389 E N 0.222 120.463 120.200 0.068 0.000 2.358 389 E HA 0.063 4.414 4.350 0.002 0.000 0.195 389 E C 1.383 178.050 176.600 0.112 0.000 1.010 389 E CA 0.536 56.980 56.400 0.073 0.000 0.856 389 E CB 0.198 29.936 29.700 0.064 0.000 0.795 389 E HN 0.166 nan 8.360 nan 0.000 0.504 390 I N -1.068 119.590 120.570 0.147 0.000 3.971 390 I HA 0.125 4.296 4.170 0.002 0.000 0.303 390 I C -0.360 175.928 176.117 0.286 0.000 1.233 390 I CA 0.265 61.712 61.300 0.245 0.000 1.346 390 I CB 0.188 38.348 38.000 0.268 0.000 1.273 390 I HN -0.034 nan 8.210 nan 0.000 0.448 391 Y N 1.769 122.059 120.300 -0.016 0.000 2.386 391 Y HA 0.451 5.002 4.550 0.002 0.000 0.334 391 Y C 0.004 175.836 175.900 -0.113 0.000 1.002 391 Y CA -1.020 56.962 58.100 -0.197 0.000 1.068 391 Y CB 1.421 39.672 38.460 -0.348 0.000 1.203 391 Y HN 0.025 nan 8.280 nan 0.000 0.443 392 T N 2.611 116.859 114.554 -0.509 0.000 2.924 392 T HA 0.443 4.794 4.350 0.002 0.000 0.291 392 T C 0.905 175.331 174.700 -0.456 0.000 1.045 392 T CA -0.716 61.187 62.100 -0.329 0.000 1.015 392 T CB 1.299 70.061 68.868 -0.176 0.000 1.103 392 T HN 0.633 nan 8.240 nan 0.000 0.496 393 I N 0.677 121.113 120.570 -0.223 0.000 2.286 393 I HA -0.113 4.058 4.170 0.002 0.000 0.248 393 I C 2.284 178.324 176.117 -0.128 0.000 1.115 393 I CA 1.334 62.545 61.300 -0.148 0.000 1.392 393 I CB -0.245 37.723 38.000 -0.054 0.000 1.065 393 I HN 0.711 nan 8.210 nan 0.000 0.418 394 E N 0.767 120.894 120.200 -0.122 0.000 2.076 394 E HA -0.135 4.216 4.350 0.002 0.000 0.190 394 E C 1.516 178.059 176.600 -0.095 0.000 0.979 394 E CA 1.032 57.377 56.400 -0.092 0.000 0.807 394 E CB -0.013 29.643 29.700 -0.074 0.000 0.761 394 E HN 0.482 nan 8.360 nan 0.000 0.454 395 E N -0.642 119.478 120.200 -0.133 0.000 2.601 395 E HA 0.266 4.617 4.350 0.002 0.000 0.219 395 E C 0.792 177.304 176.600 -0.147 0.000 0.964 395 E CA 0.101 56.445 56.400 -0.093 0.000 1.050 395 E CB 1.113 30.782 29.700 -0.052 0.000 1.068 395 E HN 0.221 nan 8.360 nan 0.000 0.496 396 G N 1.734 110.281 108.800 -0.422 0.000 2.561 396 G HA2 -0.387 3.574 3.960 0.002 0.000 0.289 396 G HA3 -0.387 3.574 3.960 0.002 0.000 0.289 396 G C 0.504 175.120 174.900 -0.473 0.000 1.169 396 G CA 0.514 45.157 45.100 -0.761 0.000 0.980 396 G HN 0.253 nan 8.290 nan 0.000 0.550 397 F N 1.665 121.707 119.950 0.153 0.000 2.473 397 F HA 0.206 4.734 4.527 0.002 0.000 0.294 397 F C 1.859 177.741 175.800 0.136 0.000 1.103 397 F CA 0.693 58.839 58.000 0.243 0.000 1.442 397 F CB 0.058 39.252 39.000 0.324 0.000 1.097 397 F HN 0.129 nan 8.300 nan 0.000 0.547 398 N N 2.154 121.014 118.700 0.267 0.000 3.193 398 N HA 0.119 4.861 4.740 0.002 0.000 0.312 398 N C -0.386 175.180 175.510 0.094 0.000 1.261 398 N CA 0.299 53.455 53.050 0.178 0.000 1.208 398 N CB -0.412 38.184 38.487 0.182 0.000 1.471 398 N HN 0.235 nan 8.380 nan 0.000 0.548 399 I N 0.923 121.549 120.570 0.093 0.000 2.436 399 I HA -0.067 4.104 4.170 0.002 0.000 0.289 399 I C 1.743 177.884 176.117 0.041 0.000 1.083 399 I CA -0.218 61.111 61.300 0.048 0.000 1.372 399 I CB 0.717 38.748 38.000 0.052 0.000 1.408 399 I HN 0.231 nan 8.210 nan 0.000 0.516 400 S N 3.287 118.998 115.700 0.018 0.000 2.356 400 S HA -0.198 4.273 4.470 0.002 0.000 0.223 400 S C 1.327 175.936 174.600 0.015 0.000 1.032 400 S CA 1.098 59.305 58.200 0.011 0.000 1.005 400 S CB -0.216 62.983 63.200 -0.003 0.000 0.867 400 S HN 0.660 nan 8.310 nan 0.000 0.449 401 D N 1.711 122.118 120.400 0.013 0.000 2.311 401 D HA -0.017 4.624 4.640 0.002 0.000 0.212 401 D C 1.463 177.778 176.300 0.024 0.000 0.972 401 D CA 0.979 54.988 54.000 0.015 0.000 0.887 401 D CB -0.138 40.669 40.800 0.012 0.000 0.915 401 D HN 0.561 nan 8.370 nan 0.000 0.497 402 K N 0.035 120.456 120.400 0.035 0.000 2.358 402 K HA 0.010 4.331 4.320 0.002 0.000 0.200 402 K C -0.166 176.463 176.600 0.047 0.000 1.030 402 K CA -0.059 56.256 56.287 0.046 0.000 1.097 402 K CB 0.934 33.474 32.500 0.067 0.000 0.862 402 K HN -0.158 nan 8.250 nan 0.000 0.534 403 D N 0.441 120.863 120.400 0.037 0.000 2.800 403 D HA -0.174 4.467 4.640 0.002 0.000 0.232 403 D C 0.180 176.506 176.300 0.045 0.000 1.137 403 D CA 0.678 54.698 54.000 0.032 0.000 0.718 403 D CB -0.389 40.428 40.800 0.028 0.000 1.084 403 D HN 0.087 nan 8.370 nan 0.000 0.432 404 M N -0.457 119.179 119.600 0.060 0.000 2.405 404 M HA 0.136 4.617 4.480 0.002 0.000 0.292 404 M C 1.608 177.953 176.300 0.075 0.000 1.111 404 M CA 0.018 55.368 55.300 0.084 0.000 0.979 404 M CB 0.661 33.338 32.600 0.128 0.000 1.426 404 M HN 0.156 nan 8.290 nan 0.000 0.509 405 E N 1.627 121.849 120.200 0.036 0.000 2.075 405 E HA 0.028 4.379 4.350 0.002 0.000 0.190 405 E C 0.171 176.735 176.600 -0.060 0.000 0.969 405 E CA 0.652 57.054 56.400 0.004 0.000 0.815 405 E CB 0.483 30.179 29.700 -0.008 0.000 0.776 405 E HN 0.367 nan 8.360 nan 0.000 0.457 406 K N 1.230 121.597 120.400 -0.054 0.000 2.382 406 K HA 0.002 4.323 4.320 0.002 0.000 0.275 406 K C 0.035 176.572 176.600 -0.105 0.000 1.009 406 K CA 0.228 56.458 56.287 -0.096 0.000 0.970 406 K CB 0.365 32.837 32.500 -0.047 0.000 0.934 406 K HN 0.081 nan 8.250 nan 0.000 0.479 407 E N 1.256 121.335 120.200 -0.202 0.000 2.604 407 E HA -0.281 4.071 4.350 0.002 0.000 0.255 407 E C -1.016 175.605 176.600 0.036 0.000 1.164 407 E CA 0.705 57.031 56.400 -0.123 0.000 0.737 407 E CB -1.772 27.953 29.700 0.041 0.000 1.317 407 E HN 0.686 nan 8.360 nan 0.000 0.417 408 Y N -2.623 117.729 120.300 0.087 0.000 3.491 408 Y HA -0.339 4.212 4.550 0.002 0.000 0.215 408 Y C 1.600 177.597 175.900 0.162 0.000 1.219 408 Y CA 1.058 59.224 58.100 0.109 0.000 1.485 408 Y CB -2.001 36.498 38.460 0.065 0.000 1.450 408 Y HN 0.236 nan 8.280 nan 0.000 0.603 409 R N 0.047 120.660 120.500 0.189 0.000 2.159 409 R HA -0.147 4.194 4.340 0.002 0.000 0.237 409 R C 2.451 178.806 176.300 0.091 0.000 1.131 409 R CA 1.220 57.397 56.100 0.127 0.000 0.982 409 R CB -0.483 29.867 30.300 0.083 0.000 0.868 409 R HN 0.633 nan 8.270 nan 0.000 0.453 410 G N 0.379 109.257 108.800 0.131 0.000 2.470 410 G HA2 -0.249 3.712 3.960 0.002 0.000 0.220 410 G HA3 -0.249 3.712 3.960 0.002 0.000 0.220 410 G C 1.096 175.952 174.900 -0.074 0.000 1.121 410 G CA 0.342 45.537 45.100 0.159 0.000 0.766 410 G HN 0.376 nan 8.290 nan 0.000 0.553 411 Q N -0.322 119.312 119.800 -0.276 0.000 2.282 411 Q HA 0.108 4.449 4.340 0.002 0.000 0.206 411 Q C 0.247 175.660 176.000 -0.979 0.000 0.878 411 Q CA -0.469 54.698 55.803 -1.061 0.000 0.944 411 Q CB 0.429 28.909 28.738 -0.430 0.000 1.100 411 Q HN 0.278 nan 8.270 nan 0.000 0.509 412 N N 1.698 120.099 118.700 -0.498 0.000 2.411 412 N HA 0.023 4.764 4.740 0.002 0.000 0.259 412 N C 0.352 175.720 175.510 -0.237 0.000 1.103 412 N CA 0.239 52.898 53.050 -0.652 0.000 0.954 412 N CB 0.863 39.075 38.487 -0.458 0.000 1.085 412 N HN 0.049 nan 8.380 nan 0.000 0.485 413 K N 2.521 122.774 120.400 -0.244 0.000 2.218 413 K HA -0.141 4.180 4.320 0.002 0.000 0.205 413 K C 1.408 178.092 176.600 0.141 0.000 1.046 413 K CA 1.597 57.906 56.287 0.037 0.000 0.933 413 K CB 0.108 32.541 32.500 -0.111 0.000 0.728 413 K HN 0.609 nan 8.250 nan 0.000 0.454 414 A N 0.318 123.131 122.820 -0.011 0.000 2.081 414 A HA 0.068 4.389 4.320 0.002 0.000 0.214 414 A C 1.848 179.455 177.584 0.038 0.000 1.158 414 A CA 0.605 52.657 52.037 0.024 0.000 0.724 414 A CB -0.043 18.951 19.000 -0.010 0.000 0.826 414 A HN 0.128 nan 8.150 nan 0.000 0.463 415 I N -1.361 119.227 120.570 0.029 0.000 2.810 415 I HA 0.046 4.217 4.170 0.002 0.000 0.262 415 I C 0.836 177.011 176.117 0.097 0.000 1.131 415 I CA 0.411 61.740 61.300 0.048 0.000 1.453 415 I CB 0.133 38.148 38.000 0.025 0.000 1.161 415 I HN 0.162 nan 8.210 nan 0.000 0.444 416 N N 1.460 120.264 118.700 0.174 0.000 2.839 416 N HA 0.116 4.857 4.740 0.002 0.000 0.314 416 N C 0.801 176.462 175.510 0.252 0.000 1.449 416 N CA 0.063 53.253 53.050 0.233 0.000 1.050 416 N CB 0.143 38.819 38.487 0.315 0.000 1.364 416 N HN 0.085 nan 8.380 nan 0.000 0.512 417 K N -0.312 120.143 120.400 0.091 0.000 2.209 417 K HA -0.159 4.162 4.320 0.002 0.000 0.204 417 K C 1.731 178.149 176.600 -0.303 0.000 1.048 417 K CA 0.957 57.116 56.287 -0.212 0.000 0.940 417 K CB 0.184 32.574 32.500 -0.184 0.000 0.729 417 K HN 0.474 nan 8.250 nan 0.000 0.451 418 Q N 0.406 120.146 119.800 -0.101 0.000 2.364 418 Q HA -0.063 4.278 4.340 0.002 0.000 0.207 418 Q C 1.718 177.682 176.000 -0.060 0.000 0.970 418 Q CA 1.471 57.226 55.803 -0.079 0.000 0.888 418 Q CB -0.134 28.603 28.738 -0.002 0.000 0.951 418 Q HN 0.251 nan 8.270 nan 0.000 0.469 419 A N 0.436 123.251 122.820 -0.009 0.000 2.016 419 A HA 0.115 4.436 4.320 0.002 0.000 0.217 419 A C 0.710 178.247 177.584 -0.079 0.000 1.162 419 A CA 0.878 52.947 52.037 0.053 0.000 0.662 419 A CB -0.199 18.908 19.000 0.178 0.000 0.812 419 A HN 0.606 nan 8.150 nan 0.000 0.450 420 Y N -3.267 116.833 120.300 -0.333 0.000 2.677 420 Y HA 0.803 5.354 4.550 0.002 0.000 0.334 420 Y C -0.837 174.908 175.900 -0.257 0.000 1.154 420 Y CA -1.568 56.300 58.100 -0.388 0.000 1.070 420 Y CB 0.763 38.807 38.460 -0.692 0.000 1.294 420 Y HN 0.010 nan 8.280 nan 0.000 0.475 421 E N 0.722 120.827 120.200 -0.157 0.000 2.288 421 E HA 0.275 4.626 4.350 0.002 0.000 0.268 421 E C -1.187 175.423 176.600 0.016 0.000 0.885 421 E CA -1.205 55.104 56.400 -0.152 0.000 0.767 421 E CB 2.032 31.666 29.700 -0.111 0.000 1.220 421 E HN 0.498 nan 8.360 nan 0.000 0.427 422 E N 1.316 121.518 120.200 0.004 0.000 2.374 422 E HA 0.279 4.631 4.350 0.002 0.000 0.260 422 E C -0.152 176.453 176.600 0.008 0.000 1.101 422 E CA -0.088 56.337 56.400 0.042 0.000 0.907 422 E CB 0.977 30.698 29.700 0.035 0.000 1.014 422 E HN 0.389 nan 8.360 nan 0.000 0.427 423 I N 0.850 121.421 120.570 0.001 0.000 2.428 423 I HA 0.030 4.201 4.170 0.002 0.000 0.296 423 I C 0.774 176.928 176.117 0.061 0.000 0.985 423 I CA -0.552 60.748 61.300 0.000 0.000 1.260 423 I CB 1.536 39.476 38.000 -0.101 0.000 1.389 423 I HN 0.269 nan 8.210 nan 0.000 0.484 424 S N 5.526 121.297 115.700 0.118 0.000 2.507 424 S HA 0.019 4.490 4.470 0.002 0.000 0.299 424 S C 1.285 175.906 174.600 0.036 0.000 1.214 424 S CA -0.405 57.819 58.200 0.040 0.000 1.137 424 S CB 0.165 63.337 63.200 -0.047 0.000 1.009 424 S HN 0.465 nan 8.310 nan 0.000 0.512 425 K N 3.761 124.170 120.400 0.015 0.000 2.160 425 K HA -0.124 4.198 4.320 0.002 0.000 0.206 425 K C 1.697 178.298 176.600 0.001 0.000 1.047 425 K CA 1.279 57.587 56.287 0.035 0.000 0.930 425 K CB -0.292 32.219 32.500 0.018 0.000 0.720 425 K HN 0.704 nan 8.250 nan 0.000 0.450 426 E N 0.167 120.298 120.200 -0.115 0.000 2.284 426 E HA -0.194 4.157 4.350 0.002 0.000 0.200 426 E C 1.418 177.956 176.600 -0.103 0.000 1.008 426 E CA 1.292 57.587 56.400 -0.175 0.000 0.829 426 E CB -0.433 29.070 29.700 -0.328 0.000 0.744 426 E HN 0.668 nan 8.360 nan 0.000 0.491 427 H N -1.055 118.079 119.070 0.107 0.000 2.652 427 H HA 0.272 4.829 4.556 0.002 0.000 0.274 427 H C 0.385 175.804 175.328 0.151 0.000 1.021 427 H CA -0.547 55.555 56.048 0.090 0.000 1.187 427 H CB 0.582 30.410 29.762 0.110 0.000 1.505 427 H HN -0.069 nan 8.280 nan 0.000 0.530 428 L N 1.446 122.828 121.223 0.264 0.000 2.350 428 L HA 0.524 4.865 4.340 0.002 0.000 0.275 428 L C 0.039 177.006 176.870 0.161 0.000 1.099 428 L CA -0.908 54.081 54.840 0.247 0.000 0.808 428 L CB 1.247 43.423 42.059 0.194 0.000 1.149 428 L HN 0.109 nan 8.230 nan 0.000 0.442 429 A N 3.641 126.576 122.820 0.192 0.000 2.318 429 A HA 0.761 5.082 4.320 0.002 0.000 0.317 429 A C -0.918 176.748 177.584 0.137 0.000 1.159 429 A CA -0.458 51.655 52.037 0.126 0.000 0.799 429 A CB 1.441 20.521 19.000 0.134 0.000 1.194 429 A HN 0.400 nan 8.150 nan 0.000 0.479 430 V N 2.920 122.895 119.914 0.102 0.000 2.525 430 V HA 0.220 4.341 4.120 0.002 0.000 0.299 430 V C -0.927 175.242 176.094 0.126 0.000 1.034 430 V CA -0.602 61.764 62.300 0.111 0.000 0.863 430 V CB 1.451 33.320 31.823 0.076 0.000 0.999 430 V HN 0.829 nan 8.190 nan 0.000 0.423 431 Y N 5.643 125.956 120.300 0.022 0.000 2.569 431 Y HA 0.384 4.935 4.550 0.002 0.000 0.332 431 Y C 0.278 176.178 175.900 -0.001 0.000 1.120 431 Y CA 0.018 58.123 58.100 0.008 0.000 1.416 431 Y CB 0.304 38.773 38.460 0.015 0.000 1.210 431 Y HN 0.586 nan 8.280 nan 0.000 0.528 432 K N 6.467 126.560 120.400 -0.512 0.000 2.328 432 K HA 0.546 4.867 4.320 0.002 0.000 0.246 432 K C -1.456 174.769 176.600 -0.626 0.000 0.955 432 K CA -1.078 54.931 56.287 -0.465 0.000 0.817 432 K CB 2.015 34.378 32.500 -0.228 0.000 1.208 432 K HN 0.426 nan 8.250 nan 0.000 0.432 433 I N 2.256 122.561 120.570 -0.441 0.000 2.339 433 I HA 0.188 4.359 4.170 0.002 0.000 0.290 433 I C -0.311 175.637 176.117 -0.281 0.000 0.994 433 I CA -0.327 60.760 61.300 -0.356 0.000 1.191 433 I CB 1.366 39.195 38.000 -0.284 0.000 1.343 433 I HN 0.638 nan 8.210 nan 0.000 0.458 434 Q N 6.828 126.471 119.800 -0.261 0.000 2.398 434 Q HA 0.438 4.779 4.340 0.002 0.000 0.251 434 Q C -0.921 174.894 176.000 -0.308 0.000 0.999 434 Q CA -0.450 55.197 55.803 -0.261 0.000 0.874 434 Q CB 0.920 29.515 28.738 -0.239 0.000 1.215 434 Q HN 0.541 nan 8.270 nan 0.000 0.470 435 M N 3.697 123.120 119.600 -0.295 0.000 2.135 435 M HA 0.284 4.765 4.480 0.002 0.000 0.345 435 M C -0.924 175.180 176.300 -0.326 0.000 1.340 435 M CA -0.482 54.629 55.300 -0.314 0.000 1.162 435 M CB 0.328 32.776 32.600 -0.253 0.000 1.570 435 M HN 0.563 nan 8.290 nan 0.000 0.454 436 C N 2.683 121.724 119.300 -0.432 0.000 2.391 436 C HA 0.525 4.986 4.460 0.002 0.000 0.339 436 C C 0.362 175.238 174.990 -0.189 0.000 1.205 436 C CA -1.244 57.552 59.018 -0.369 0.000 1.937 436 C CB 1.173 28.542 27.740 -0.617 0.000 2.341 436 C HN 0.708 nan 8.230 nan 0.000 0.516 437 K N 1.349 121.710 120.400 -0.065 0.000 2.156 437 K HA 0.374 4.696 4.320 0.002 0.000 0.271 437 K C 0.083 176.750 176.600 0.111 0.000 0.995 437 K CA 0.118 56.416 56.287 0.018 0.000 0.890 437 K CB 1.269 33.769 32.500 -0.000 0.000 1.073 437 K HN 0.845 nan 8.250 nan 0.000 0.454 438 S N 1.483 117.263 115.700 0.134 0.000 2.503 438 S HA 0.254 4.725 4.470 0.002 0.000 0.317 438 S C 0.135 174.769 174.600 0.058 0.000 1.162 438 S CA -0.636 57.634 58.200 0.117 0.000 1.124 438 S CB -0.462 62.774 63.200 0.059 0.000 1.207 438 S HN 0.308 nan 8.310 nan 0.000 0.538 444 I N 1.223 121.766 120.570 -0.044 0.000 2.498 444 I HA 0.718 4.889 4.170 0.002 0.000 0.301 444 I C -0.285 175.763 176.117 -0.114 0.000 0.984 444 I CA -0.621 60.638 61.300 -0.068 0.000 1.204 444 I CB 1.619 39.584 38.000 -0.058 0.000 1.362 444 I HN 0.493 nan 8.210 nan 0.000 0.471 445 C N 7.017 126.229 119.300 -0.146 0.000 2.561 445 C HA 0.634 5.095 4.460 0.002 0.000 0.319 445 C C -0.009 174.805 174.990 -0.293 0.000 1.198 445 C CA -0.710 58.180 59.018 -0.212 0.000 1.665 445 C CB 1.423 29.046 27.740 -0.195 0.000 2.258 445 C HN 0.538 nan 8.230 nan 0.000 0.493 446 I N 2.059 122.419 120.570 -0.350 0.000 2.545 446 I HA 0.315 4.486 4.170 0.002 0.000 0.292 446 I C -0.967 174.976 176.117 -0.290 0.000 1.040 446 I CA -0.192 60.828 61.300 -0.467 0.000 1.068 446 I CB 1.754 39.377 38.000 -0.628 0.000 1.251 446 I HN 0.547 nan 8.210 nan 0.000 0.424 447 D N 5.422 125.694 120.400 -0.213 0.000 2.177 447 D HA 0.495 5.136 4.640 0.002 0.000 0.247 447 D C -0.672 175.557 176.300 -0.119 0.000 1.063 447 D CA -0.070 53.835 54.000 -0.158 0.000 0.867 447 D CB 2.529 43.264 40.800 -0.108 0.000 1.168 447 D HN 0.033 nan 8.370 nan 0.000 0.445 448 V N 2.259 122.079 119.914 -0.156 0.000 2.638 448 V HA 0.154 4.275 4.120 0.002 0.000 0.306 448 V C -0.309 175.708 176.094 -0.128 0.000 1.052 448 V CA -1.057 61.169 62.300 -0.123 0.000 0.885 448 V CB 2.281 33.945 31.823 -0.265 0.000 0.999 448 V HN 0.365 nan 8.190 nan 0.000 0.424 449 D N 2.878 123.252 120.400 -0.042 0.000 2.425 449 D HA 0.023 4.665 4.640 0.002 0.000 0.247 449 D C 1.138 177.426 176.300 -0.021 0.000 1.147 449 D CA 0.306 54.288 54.000 -0.029 0.000 0.879 449 D CB 0.874 41.694 40.800 0.033 0.000 1.179 449 D HN 0.677 nan 8.370 nan 0.000 0.456 450 N N 2.482 121.163 118.700 -0.031 0.000 2.322 450 N HA -0.228 4.513 4.740 0.002 0.000 0.189 450 N C 1.023 176.601 175.510 0.114 0.000 1.012 450 N CA 1.429 54.511 53.050 0.054 0.000 0.880 450 N CB 0.231 38.862 38.487 0.241 0.000 0.967 450 N HN 0.456 nan 8.380 nan 0.000 0.439 451 E N -0.628 119.633 120.200 0.102 0.000 2.106 451 E HA -0.127 4.224 4.350 0.002 0.000 0.192 451 E C 0.830 177.501 176.600 0.120 0.000 0.984 451 E CA 1.035 57.499 56.400 0.108 0.000 0.806 451 E CB -0.100 29.652 29.700 0.086 0.000 0.750 451 E HN 0.487 nan 8.360 nan 0.000 0.458 452 D N 0.760 121.228 120.400 0.114 0.000 2.348 452 D HA -0.009 4.633 4.640 0.002 0.000 0.216 452 D C 0.926 177.333 176.300 0.177 0.000 0.970 452 D CA 0.494 54.575 54.000 0.134 0.000 0.889 452 D CB 0.127 41.038 40.800 0.185 0.000 0.912 452 D HN 0.126 nan 8.370 nan 0.000 0.524 453 L N -0.084 121.257 121.223 0.197 0.000 2.470 453 L HA 0.150 4.491 4.340 0.002 0.000 0.243 453 L C 0.330 177.296 176.870 0.159 0.000 1.227 453 L CA -0.377 54.641 54.840 0.296 0.000 0.824 453 L CB 0.008 42.221 42.059 0.256 0.000 1.175 453 L HN -0.198 nan 8.230 nan 0.000 0.503 454 F N 0.417 120.560 119.950 0.322 0.000 2.424 454 F HA 0.202 4.735 4.527 0.009 0.000 0.356 454 F C 0.154 176.077 175.800 0.204 0.000 1.110 454 F CA -0.223 57.920 58.000 0.238 0.000 1.161 454 F CB 0.306 39.426 39.000 0.199 0.000 1.115 454 F HN 0.099 nan 8.300 nan 0.000 0.507 455 F N 5.710 125.809 119.950 0.248 0.000 2.421 455 F HA 0.609 5.137 4.527 0.002 0.000 0.358 455 F C -0.676 175.200 175.800 0.127 0.000 1.115 455 F CA -0.682 57.424 58.000 0.177 0.000 1.160 455 F CB 0.145 39.260 39.000 0.190 0.000 1.123 455 F HN 0.273 nan 8.300 nan 0.000 0.508 456 I N 6.666 126.913 120.570 -0.538 0.000 2.468 456 I HA 0.374 4.546 4.170 0.002 0.000 0.285 456 I C -0.192 175.614 176.117 -0.518 0.000 1.039 456 I CA -0.996 60.091 61.300 -0.355 0.000 1.074 456 I CB 1.637 39.513 38.000 -0.207 0.000 1.228 456 I HN 0.748 nan 8.210 nan 0.000 0.436 457 A N 5.215 127.861 122.820 -0.290 0.000 2.520 457 A HA 0.051 4.372 4.320 0.002 0.000 0.245 457 A C 0.140 177.703 177.584 -0.034 0.000 1.072 457 A CA 0.089 52.047 52.037 -0.132 0.000 0.761 457 A CB 0.129 19.242 19.000 0.187 0.000 1.004 457 A HN 0.789 nan 8.150 nan 0.000 0.499 458 D N 1.683 122.019 120.400 -0.106 0.000 2.357 458 D HA 0.028 4.669 4.640 0.002 0.000 0.242 458 D C 0.995 177.338 176.300 0.071 0.000 1.153 458 D CA -0.168 53.808 54.000 -0.040 0.000 0.918 458 D CB 0.712 41.461 40.800 -0.084 0.000 1.181 458 D HN 0.606 nan 8.370 nan 0.000 0.435 459 K N 1.661 122.152 120.400 0.152 0.000 2.152 459 K HA -0.151 4.170 4.320 0.002 0.000 0.206 459 K C 1.416 178.115 176.600 0.164 0.000 1.048 459 K CA 0.826 57.274 56.287 0.270 0.000 0.933 459 K CB 0.085 32.695 32.500 0.184 0.000 0.721 459 K HN 0.381 nan 8.250 nan 0.000 0.447 460 N N 0.447 119.158 118.700 0.017 0.000 2.443 460 N HA -0.096 4.645 4.740 0.002 0.000 0.184 460 N C 1.393 176.807 175.510 -0.161 0.000 1.037 460 N CA 0.866 53.893 53.050 -0.038 0.000 0.896 460 N CB -0.070 38.392 38.487 -0.042 0.000 0.959 460 N HN 0.104 nan 8.380 nan 0.000 0.442 461 S N 0.156 115.616 115.700 -0.400 0.000 2.419 461 S HA -0.025 4.446 4.470 0.002 0.000 0.233 461 S C 0.390 174.519 174.600 -0.785 0.000 1.016 461 S CA 0.786 58.564 58.200 -0.704 0.000 0.974 461 S CB -0.099 62.443 63.200 -1.095 0.000 0.786 461 S HN 0.215 nan 8.310 nan 0.000 0.492 462 F N 1.022 120.993 119.950 0.036 0.000 2.422 462 F HA 0.501 5.029 4.527 0.002 0.000 0.333 462 F C 0.638 176.454 175.800 0.027 0.000 1.095 462 F CA -1.182 56.840 58.000 0.035 0.000 1.038 462 F CB 0.847 39.868 39.000 0.034 0.000 1.156 462 F HN -0.210 nan 8.300 nan 0.000 0.483 463 S N 0.496 116.311 115.700 0.193 0.000 2.562 463 S HA -0.002 4.469 4.470 0.002 0.000 0.281 463 S C 0.447 175.106 174.600 0.098 0.000 1.333 463 S CA -0.281 57.987 58.200 0.113 0.000 1.052 463 S CB 0.459 63.718 63.200 0.097 0.000 0.884 463 S HN 0.775 nan 8.310 nan 0.000 0.506 464 D N 1.677 122.114 120.400 0.062 0.000 2.398 464 D HA 0.156 4.797 4.640 0.002 0.000 0.210 464 D C 0.742 177.054 176.300 0.019 0.000 1.094 464 D CA -0.030 53.993 54.000 0.039 0.000 0.839 464 D CB 0.078 40.900 40.800 0.036 0.000 0.963 464 D HN 0.549 nan 8.370 nan 0.000 0.506 465 D N 0.321 120.735 120.400 0.023 0.000 2.203 465 D HA -0.190 4.451 4.640 0.002 0.000 0.199 465 D C 1.972 178.267 176.300 -0.009 0.000 0.997 465 D CA 0.681 54.688 54.000 0.010 0.000 0.863 465 D CB -0.045 40.764 40.800 0.015 0.000 0.928 465 D HN 0.384 nan 8.370 nan 0.000 0.458 466 L N 0.810 122.018 121.223 -0.025 0.000 2.261 466 L HA -0.148 4.193 4.340 0.002 0.000 0.216 466 L C 2.156 178.990 176.870 -0.060 0.000 1.114 466 L CA 1.132 55.934 54.840 -0.064 0.000 0.777 466 L CB -0.403 41.596 42.059 -0.100 0.000 0.910 466 L HN 0.058 nan 8.230 nan 0.000 0.440 467 S N -1.619 114.062 115.700 -0.031 0.000 2.650 467 S HA 0.049 4.520 4.470 0.002 0.000 0.219 467 S C 0.650 175.255 174.600 0.008 0.000 0.960 467 S CA -0.192 57.998 58.200 -0.016 0.000 0.925 467 S CB -0.187 63.009 63.200 -0.007 0.000 0.775 467 S HN 0.277 nan 8.310 nan 0.000 0.525 468 K N 1.820 122.227 120.400 0.011 0.000 2.098 468 K HA 0.361 4.682 4.320 0.002 0.000 0.258 468 K C -0.271 176.358 176.600 0.049 0.000 0.973 468 K CA -0.850 55.452 56.287 0.024 0.000 0.898 468 K CB 0.482 32.990 32.500 0.013 0.000 1.057 468 K HN 0.188 nan 8.250 nan 0.000 0.447 469 N N 2.029 120.762 118.700 0.055 0.000 2.371 469 N HA 0.072 4.814 4.740 0.002 0.000 0.243 469 N C -0.374 175.155 175.510 0.031 0.000 1.287 469 N CA 0.239 53.339 53.050 0.083 0.000 0.911 469 N CB 0.656 39.183 38.487 0.066 0.000 1.142 469 N HN 0.434 nan 8.380 nan 0.000 0.451 470 E N 0.859 121.059 120.200 0.000 0.000 2.293 470 E HA 0.303 4.654 4.350 0.002 0.000 0.270 470 E C -0.578 175.872 176.600 -0.250 0.000 0.879 470 E CA -0.520 55.757 56.400 -0.205 0.000 0.756 470 E CB 2.343 31.738 29.700 -0.509 0.000 1.208 470 E HN 0.292 nan 8.360 nan 0.000 0.428 471 R N 2.297 122.665 120.500 -0.220 0.000 2.239 471 R HA 0.366 4.707 4.340 0.002 0.000 0.332 471 R C -0.228 175.949 176.300 -0.205 0.000 0.988 471 R CA -0.670 55.330 56.100 -0.167 0.000 0.859 471 R CB 0.604 30.847 30.300 -0.096 0.000 1.148 471 R HN 0.295 nan 8.270 nan 0.000 0.482 472 I N 3.987 124.426 120.570 -0.218 0.000 2.322 472 I HA 0.180 4.351 4.170 0.002 0.000 0.292 472 I C 0.433 176.520 176.117 -0.050 0.000 1.060 472 I CA 0.110 61.303 61.300 -0.178 0.000 1.309 472 I CB 0.581 38.474 38.000 -0.179 0.000 1.415 472 I HN 0.514 nan 8.210 nan 0.000 0.492 473 E N 4.595 124.777 120.200 -0.031 0.000 2.299 473 E HA 0.197 4.548 4.350 0.002 0.000 0.265 473 E C 0.267 176.855 176.600 -0.020 0.000 0.911 473 E CA -0.676 55.776 56.400 0.086 0.000 0.789 473 E CB 1.645 31.366 29.700 0.035 0.000 1.246 473 E HN 0.537 nan 8.360 nan 0.000 0.427 474 Y N 1.784 122.120 120.300 0.059 0.000 2.348 474 Y HA -0.284 4.267 4.550 0.002 0.000 0.285 474 Y C 1.303 177.175 175.900 -0.048 0.000 1.173 474 Y CA 2.017 60.066 58.100 -0.085 0.000 1.263 474 Y CB -0.467 37.788 38.460 -0.342 0.000 0.974 474 Y HN 0.445 nan 8.280 nan 0.000 0.547 475 N N -0.674 117.461 118.700 -0.941 0.000 2.368 475 N HA 0.004 4.745 4.740 0.002 0.000 0.178 475 N C 0.166 175.499 175.510 -0.294 0.000 1.076 475 N CA 0.590 53.247 53.050 -0.655 0.000 0.889 475 N CB -0.857 37.104 38.487 -0.876 0.000 1.040 475 N HN 0.220 nan 8.380 nan 0.000 0.463 476 T N 2.105 116.515 114.554 -0.240 0.000 2.934 476 T HA 0.023 4.374 4.350 0.002 0.000 0.321 476 T C 0.305 174.950 174.700 -0.091 0.000 1.080 476 T CA 0.388 62.401 62.100 -0.144 0.000 1.132 476 T CB 0.314 69.102 68.868 -0.134 0.000 1.039 476 T HN 0.480 nan 8.240 nan 0.000 0.543 477 Q N 0.302 120.064 119.800 -0.064 0.000 2.553 477 Q HA 0.616 4.957 4.340 0.002 0.000 0.293 477 Q C -0.526 175.473 176.000 -0.003 0.000 1.038 477 Q CA -1.174 54.618 55.803 -0.019 0.000 0.777 477 Q CB 1.345 30.079 28.738 -0.007 0.000 1.487 477 Q HN 0.621 nan 8.270 nan 0.000 0.426 478 S N 1.180 116.912 115.700 0.053 0.000 2.589 478 S HA 0.297 4.768 4.470 0.002 0.000 0.265 478 S C -0.355 174.261 174.600 0.026 0.000 1.342 478 S CA -0.354 57.897 58.200 0.086 0.000 1.005 478 S CB 0.117 63.499 63.200 0.303 0.000 0.909 478 S HN 0.624 nan 8.310 nan 0.000 0.555 479 N N 1.452 120.065 118.700 -0.145 0.000 2.519 479 N HA 0.383 5.124 4.740 0.002 0.000 0.286 479 N C -2.015 173.249 175.510 -0.411 0.000 1.079 479 N CA -0.212 52.723 53.050 -0.192 0.000 0.878 479 N CB 1.254 39.629 38.487 -0.188 0.000 1.375 479 N HN 0.678 nan 8.380 nan 0.000 0.514 480 Y N 0.899 121.157 120.300 -0.069 0.000 2.457 480 Y HA 0.539 5.090 4.550 0.001 0.000 0.343 480 Y C -0.078 175.762 175.900 -0.100 0.000 0.994 480 Y CA -0.748 57.319 58.100 -0.056 0.000 1.031 480 Y CB 2.236 40.676 38.460 -0.033 0.000 1.246 480 Y HN 0.302 nan 8.280 nan 0.000 0.449 481 I N 2.781 123.393 120.570 0.069 0.000 2.437 481 I HA 0.229 4.400 4.170 0.002 0.000 0.279 481 I C -0.583 175.540 176.117 0.011 0.000 1.028 481 I CA -0.788 60.528 61.300 0.027 0.000 1.142 481 I CB 1.440 39.467 38.000 0.044 0.000 1.266 481 I HN 0.512 nan 8.210 nan 0.000 0.461 482 E N 5.186 125.374 120.200 -0.020 0.000 2.220 482 E HA 0.068 4.420 4.350 0.002 0.000 0.272 482 E C -0.088 176.250 176.600 -0.437 0.000 1.099 482 E CA 0.051 56.367 56.400 -0.140 0.000 0.907 482 E CB 0.310 29.957 29.700 -0.089 0.000 1.022 482 E HN 0.304 nan 8.360 nan 0.000 0.428 483 N N 4.216 122.534 118.700 -0.638 0.000 3.167 483 N HA 0.119 4.860 4.740 0.002 0.000 0.318 483 N C -1.267 173.746 175.510 -0.828 0.000 1.268 483 N CA 0.184 52.436 53.050 -1.331 0.000 1.197 483 N CB -0.028 38.069 38.487 -0.651 0.000 1.464 483 N HN 0.463 nan 8.380 nan 0.000 0.555 484 D N -0.744 119.326 120.400 -0.550 0.000 2.639 484 D HA 0.534 5.175 4.640 0.002 0.000 0.271 484 D C -1.858 174.536 176.300 0.156 0.000 1.254 484 D CA -0.603 53.329 54.000 -0.114 0.000 0.810 484 D CB 1.009 41.742 40.800 -0.112 0.000 1.351 484 D HN -0.072 nan 8.370 nan 0.000 0.427 485 F N 1.082 121.025 119.950 -0.011 0.000 2.639 485 F HA 0.379 4.907 4.527 0.001 0.000 0.326 485 F C -2.378 173.397 175.800 -0.043 0.000 1.150 485 F CA -1.401 56.598 58.000 -0.002 0.000 1.057 485 F CB 2.054 41.066 39.000 0.020 0.000 1.300 485 F HN 0.038 nan 8.300 nan 0.000 0.486 486 P HA 0.081 nan 4.420 nan 0.000 0.263 486 P C 0.941 178.160 177.300 -0.135 0.000 1.276 486 P CA 0.239 63.153 63.100 -0.310 0.000 0.986 486 P CB 0.637 32.109 31.700 -0.379 0.000 1.105 487 I N 4.242 124.807 120.570 -0.009 0.000 2.335 487 I HA -0.316 3.855 4.170 0.002 0.000 0.251 487 I C 1.689 177.801 176.117 -0.009 0.000 1.129 487 I CA 1.640 62.952 61.300 0.020 0.000 1.402 487 I CB -0.551 37.444 38.000 -0.009 0.000 1.069 487 I HN 0.215 nan 8.210 nan 0.000 0.424 488 N N 0.379 119.059 118.700 -0.034 0.000 2.084 488 N HA -0.240 4.501 4.740 0.002 0.000 0.190 488 N C 1.726 177.222 175.510 -0.025 0.000 1.030 488 N CA 1.689 54.719 53.050 -0.032 0.000 0.849 488 N CB -0.368 38.093 38.487 -0.042 0.000 1.012 488 N HN 0.619 nan 8.380 nan 0.000 0.423 489 E N 0.586 120.758 120.200 -0.046 0.000 2.150 489 E HA -0.147 4.204 4.350 0.002 0.000 0.193 489 E C 1.871 178.503 176.600 0.053 0.000 0.985 489 E CA 0.636 57.021 56.400 -0.026 0.000 0.814 489 E CB -0.300 29.345 29.700 -0.093 0.000 0.752 489 E HN 0.259 nan 8.360 nan 0.000 0.466 490 L N 1.349 122.646 121.223 0.122 0.000 2.017 490 L HA -0.096 4.245 4.340 0.002 0.000 0.208 490 L C 2.237 179.128 176.870 0.035 0.000 1.073 490 L CA 1.667 56.607 54.840 0.165 0.000 0.745 490 L CB -0.255 41.878 42.059 0.124 0.000 0.894 490 L HN 0.221 nan 8.230 nan 0.000 0.432 491 I N -1.081 119.494 120.570 0.009 0.000 2.439 491 I HA -0.244 3.927 4.170 0.002 0.000 0.251 491 I C 1.923 178.050 176.117 0.017 0.000 1.139 491 I CA 1.012 62.316 61.300 0.007 0.000 1.438 491 I CB -0.125 37.872 38.000 -0.005 0.000 1.085 491 I HN 0.245 nan 8.210 nan 0.000 0.427 492 L N -0.123 121.110 121.223 0.016 0.000 2.607 492 L HA 0.077 4.418 4.340 0.002 0.000 0.228 492 L C 0.445 177.331 176.870 0.026 0.000 1.123 492 L CA -0.190 54.659 54.840 0.015 0.000 0.890 492 L CB -0.212 41.849 42.059 0.003 0.000 1.103 492 L HN 0.123 nan 8.230 nan 0.000 0.468 493 D N 0.541 120.966 120.400 0.042 0.000 2.426 493 D HA -0.074 4.567 4.640 0.002 0.000 0.261 493 D C 1.157 177.485 176.300 0.046 0.000 1.245 493 D CA 0.460 54.493 54.000 0.055 0.000 0.917 493 D CB 1.295 42.143 40.800 0.081 0.000 1.123 493 D HN -0.012 nan 8.370 nan 0.000 0.508 494 T N 2.719 117.297 114.554 0.040 0.000 2.777 494 T HA -0.122 4.229 4.350 0.002 0.000 0.266 494 T C 0.976 175.700 174.700 0.040 0.000 1.040 494 T CA 0.838 62.959 62.100 0.035 0.000 1.141 494 T CB 0.095 68.981 68.868 0.030 0.000 0.868 494 T HN 0.454 nan 8.240 nan 0.000 0.444 495 D N 0.502 120.931 120.400 0.048 0.000 2.427 495 D HA 0.167 4.808 4.640 0.002 0.000 0.224 495 D C 1.440 177.773 176.300 0.055 0.000 1.157 495 D CA -0.096 53.934 54.000 0.050 0.000 0.828 495 D CB 0.442 41.276 40.800 0.055 0.000 0.974 495 D HN 0.180 nan 8.370 nan 0.000 0.498 496 L N 0.514 121.771 121.223 0.057 0.000 2.044 496 L HA 0.001 4.342 4.340 0.002 0.000 0.205 496 L C 0.533 177.434 176.870 0.052 0.000 1.075 496 L CA 1.346 56.221 54.840 0.058 0.000 0.747 496 L CB 0.041 42.139 42.059 0.066 0.000 0.903 496 L HN -0.137 nan 8.230 nan 0.000 0.435 497 I N 0.908 121.506 120.570 0.048 0.000 2.352 497 I HA 0.095 4.266 4.170 0.002 0.000 0.290 497 I C 0.799 176.930 176.117 0.024 0.000 1.036 497 I CA 0.039 61.361 61.300 0.037 0.000 1.336 497 I CB 0.016 38.037 38.000 0.035 0.000 1.407 497 I HN 0.144 nan 8.210 nan 0.000 0.497 498 S N 6.437 122.145 115.700 0.014 0.000 2.561 498 S HA -0.025 4.446 4.470 0.002 0.000 0.294 498 S C 1.009 175.604 174.600 -0.009 0.000 1.294 498 S CA 0.181 58.380 58.200 -0.002 0.000 1.055 498 S CB 0.194 63.378 63.200 -0.027 0.000 0.819 498 S HN 0.755 nan 8.310 nan 0.000 0.503 499 K N 3.424 123.819 120.400 -0.009 0.000 2.506 499 K HA 0.282 4.603 4.320 0.002 0.000 0.204 499 K C -0.449 176.137 176.600 -0.023 0.000 1.045 499 K CA -0.576 55.704 56.287 -0.011 0.000 1.074 499 K CB 0.189 32.690 32.500 0.002 0.000 0.842 499 K HN 0.357 nan 8.250 nan 0.000 0.514 500 I N 2.605 123.151 120.570 -0.040 0.000 2.396 500 I HA 0.162 4.333 4.170 0.002 0.000 0.292 500 I C 0.568 176.629 176.117 -0.093 0.000 0.999 500 I CA -1.065 60.198 61.300 -0.062 0.000 1.310 500 I CB 1.161 39.117 38.000 -0.074 0.000 1.404 500 I HN 0.285 nan 8.210 nan 0.000 0.496 501 E N 4.148 124.290 120.200 -0.096 0.000 2.608 501 E HA -0.072 4.279 4.350 0.002 0.000 0.259 501 E C -0.838 175.660 176.600 -0.171 0.000 0.951 501 E CA -0.286 56.047 56.400 -0.111 0.000 0.945 501 E CB 0.594 30.235 29.700 -0.099 0.000 0.916 501 E HN 0.345 nan 8.360 nan 0.000 0.477 502 L N 7.545 128.678 121.223 -0.150 0.000 2.319 502 L HA 0.335 4.676 4.340 0.002 0.000 0.280 502 L C -2.265 174.490 176.870 -0.192 0.000 1.099 502 L CA -1.402 53.326 54.840 -0.187 0.000 0.828 502 L CB 0.750 42.735 42.059 -0.123 0.000 1.150 502 L HN 0.478 nan 8.230 nan 0.000 0.442 503 P HA 0.206 nan 4.420 nan 0.000 0.272 503 P C -1.074 176.195 177.300 -0.052 0.000 1.254 503 P CA -0.444 62.514 63.100 -0.236 0.000 0.795 503 P CB 0.359 31.749 31.700 -0.517 0.000 1.022 504 S N -0.728 115.000 115.700 0.047 0.000 2.576 504 S HA 0.072 4.543 4.470 0.002 0.000 0.276 504 S C 0.959 175.702 174.600 0.239 0.000 1.339 504 S CA -0.334 57.931 58.200 0.108 0.000 1.039 504 S CB 0.471 63.730 63.200 0.098 0.000 0.902 504 S HN 0.596 nan 8.310 nan 0.000 0.516 505 E N 1.574 121.904 120.200 0.216 0.000 2.435 505 E HA -0.023 4.329 4.350 0.002 0.000 0.195 505 E C -0.166 176.511 176.600 0.127 0.000 1.029 505 E CA -0.050 56.529 56.400 0.300 0.000 0.865 505 E CB -0.154 29.691 29.700 0.242 0.000 0.833 505 E HN 0.525 nan 8.360 nan 0.000 0.510 506 N N 1.520 120.263 118.700 0.072 0.000 2.488 506 N HA 0.109 4.850 4.740 0.002 0.000 0.274 506 N C -0.530 174.914 175.510 -0.111 0.000 1.111 506 N CA 0.414 53.439 53.050 -0.042 0.000 0.974 506 N CB 1.756 40.240 38.487 -0.004 0.000 1.089 506 N HN 0.130 nan 8.380 nan 0.000 0.465 507 T N 0.040 114.435 114.554 -0.265 0.000 2.645 507 T HA 0.187 4.538 4.350 0.002 0.000 0.300 507 T C -1.195 173.372 174.700 -0.221 0.000 1.210 507 T CA -0.605 61.320 62.100 -0.293 0.000 1.034 507 T CB 0.842 69.289 68.868 -0.702 0.000 1.537 507 T HN 0.198 nan 8.240 nan 0.000 0.492 508 E N 1.651 121.743 120.200 -0.180 0.000 2.390 508 E HA 0.361 4.712 4.350 0.002 0.000 0.261 508 E C 0.103 176.610 176.600 -0.155 0.000 1.076 508 E CA 0.035 56.357 56.400 -0.131 0.000 0.905 508 E CB 0.897 30.542 29.700 -0.093 0.000 0.984 508 E HN 0.590 nan 8.360 nan 0.000 0.427 509 S N 1.052 116.684 115.700 -0.114 0.000 2.566 509 S HA 0.011 4.482 4.470 0.002 0.000 0.280 509 S C 0.250 174.764 174.600 -0.144 0.000 1.343 509 S CA -0.438 57.700 58.200 -0.104 0.000 1.036 509 S CB 0.264 63.434 63.200 -0.050 0.000 0.866 509 S HN 0.326 nan 8.310 nan 0.000 0.526 510 L N 2.950 124.069 121.223 -0.173 0.000 2.305 510 L HA 0.380 4.721 4.340 0.002 0.000 0.281 510 L C 1.176 177.727 176.870 -0.531 0.000 1.085 510 L CA 0.490 55.145 54.840 -0.310 0.000 0.813 510 L CB 0.890 42.768 42.059 -0.302 0.000 1.157 510 L HN 0.870 nan 8.230 nan 0.000 0.436 511 T N -1.004 113.237 114.554 -0.521 0.000 2.955 511 T HA 0.176 4.527 4.350 0.002 0.000 0.251 511 T C 0.355 174.684 174.700 -0.619 0.000 1.002 511 T CA 0.033 61.816 62.100 -0.529 0.000 0.970 511 T CB -0.132 68.615 68.868 -0.202 0.000 1.091 511 T HN 0.507 nan 8.240 nan 0.000 0.495 512 D N 1.000 121.104 120.400 -0.494 0.000 2.456 512 D HA 0.276 4.917 4.640 0.002 0.000 0.219 512 D C -0.424 175.681 176.300 -0.324 0.000 1.126 512 D CA -1.312 52.512 54.000 -0.294 0.000 0.890 512 D CB -0.217 40.489 40.800 -0.156 0.000 1.025 512 D HN 0.289 nan 8.370 nan 0.000 0.511 513 F N 1.608 121.553 119.950 -0.009 0.000 2.769 513 F HA 0.106 4.634 4.527 0.002 0.000 0.304 513 F C 1.232 177.032 175.800 -0.000 0.000 1.158 513 F CA -0.609 57.387 58.000 -0.007 0.000 1.398 513 F CB -0.523 38.474 39.000 -0.006 0.000 1.094 513 F HN 0.217 nan 8.300 nan 0.000 0.553 514 N N 1.744 120.508 118.700 0.107 0.000 2.365 514 N HA 0.145 4.886 4.740 0.002 0.000 0.265 514 N C -0.802 174.745 175.510 0.061 0.000 1.288 514 N CA 0.425 53.515 53.050 0.067 0.000 0.869 514 N CB 0.572 39.072 38.487 0.021 0.000 1.071 514 N HN 0.056 nan 8.380 nan 0.000 0.480 515 V N 2.857 122.809 119.914 0.063 0.000 3.167 515 V HA 0.273 4.394 4.120 0.002 0.000 0.293 515 V C -1.809 174.297 176.094 0.019 0.000 1.379 515 V CA -0.987 61.355 62.300 0.070 0.000 1.019 515 V CB 2.171 34.098 31.823 0.173 0.000 1.115 515 V HN 0.659 nan 8.190 nan 0.000 0.442 516 D N 3.677 124.063 120.400 -0.023 0.000 2.280 516 D HA 0.483 5.124 4.640 0.002 0.000 0.243 516 D C -0.424 175.746 176.300 -0.218 0.000 1.129 516 D CA 0.127 54.066 54.000 -0.101 0.000 0.848 516 D CB 1.937 42.663 40.800 -0.123 0.000 1.107 516 D HN 0.383 nan 8.370 nan 0.000 0.471 517 V N 4.269 124.008 119.914 -0.291 0.000 2.370 517 V HA 0.297 4.418 4.120 0.002 0.000 0.283 517 V C -1.931 173.902 176.094 -0.435 0.000 1.023 517 V CA -1.513 60.466 62.300 -0.535 0.000 0.857 517 V CB 1.280 32.867 31.823 -0.393 0.000 0.985 517 V HN 0.375 nan 8.190 nan 0.000 0.443 518 P HA 0.324 nan 4.420 nan 0.000 0.271 518 P C -0.980 175.915 177.300 -0.675 0.000 1.218 518 P CA -0.183 62.583 63.100 -0.556 0.000 0.780 518 P CB 0.716 32.049 31.700 -0.612 0.000 0.901 519 V N 3.367 122.889 119.914 -0.654 0.000 2.443 519 V HA 0.308 4.429 4.120 0.002 0.000 0.293 519 V C -0.752 175.027 176.094 -0.526 0.000 1.021 519 V CA -0.560 61.440 62.300 -0.500 0.000 0.848 519 V CB 0.450 32.128 31.823 -0.241 0.000 0.998 519 V HN 0.415 nan 8.190 nan 0.000 0.424 520 Y N 2.805 122.953 120.300 -0.253 0.000 2.453 520 Y HA 0.759 5.310 4.550 0.002 0.000 0.326 520 Y C 0.544 176.536 175.900 0.154 0.000 1.186 520 Y CA -0.845 57.181 58.100 -0.124 0.000 1.200 520 Y CB 1.498 39.694 38.460 -0.441 0.000 1.247 520 Y HN 0.751 nan 8.280 nan 0.000 0.482 521 E N -0.148 120.351 120.200 0.499 0.000 2.375 521 E HA 0.417 4.768 4.350 0.002 0.000 0.280 521 E C -1.761 174.912 176.600 0.121 0.000 0.972 521 E CA -1.346 55.262 56.400 0.347 0.000 0.782 521 E CB 1.638 31.420 29.700 0.137 0.000 1.229 521 E HN 0.446 nan 8.360 nan 0.000 0.439 522 K N 1.094 121.324 120.400 -0.284 0.000 2.187 522 K HA 0.114 4.435 4.320 0.002 0.000 0.247 522 K C -0.013 176.480 176.600 -0.178 0.000 1.019 522 K CA -0.049 55.953 56.287 -0.476 0.000 0.893 522 K CB 0.449 32.605 32.500 -0.574 0.000 1.025 522 K HN 0.654 nan 8.250 nan 0.000 0.500 523 Q N -0.636 119.072 119.800 -0.154 0.000 2.456 523 Q HA 0.438 4.779 4.340 0.002 0.000 0.284 523 Q C -2.951 173.013 176.000 -0.060 0.000 1.061 523 Q CA -2.528 53.226 55.803 -0.082 0.000 0.799 523 Q CB 1.588 30.281 28.738 -0.075 0.000 1.445 523 Q HN 0.141 nan 8.270 nan 0.000 0.411 524 P HA -0.056 nan 4.420 nan 0.000 0.261 524 P C -0.335 177.041 177.300 0.126 0.000 1.173 524 P CA 0.659 63.779 63.100 0.034 0.000 0.760 524 P CB 0.608 32.338 31.700 0.051 0.000 0.783 525 A N 4.487 127.371 122.820 0.107 0.000 2.169 525 A HA 0.085 4.406 4.320 0.002 0.000 0.212 525 A C 0.697 178.366 177.584 0.141 0.000 1.153 525 A CA 0.896 53.053 52.037 0.199 0.000 0.756 525 A CB -0.250 18.796 19.000 0.076 0.000 0.813 525 A HN 0.428 nan 8.150 nan 0.000 0.471 526 I N 0.081 120.683 120.570 0.054 0.000 2.466 526 I HA 0.343 4.514 4.170 0.002 0.000 0.289 526 I C -0.401 175.694 176.117 -0.036 0.000 1.026 526 I CA -0.344 60.914 61.300 -0.070 0.000 1.078 526 I CB 1.561 39.517 38.000 -0.072 0.000 1.249 526 I HN 0.121 nan 8.210 nan 0.000 0.429 527 K N 6.657 126.984 120.400 -0.122 0.000 2.450 527 K HA 0.466 4.787 4.320 0.002 0.000 0.257 527 K C -0.750 175.780 176.600 -0.117 0.000 0.953 527 K CA -0.619 55.642 56.287 -0.044 0.000 0.844 527 K CB 1.684 34.221 32.500 0.061 0.000 1.103 527 K HN 0.508 nan 8.250 nan 0.000 0.429 528 K N 4.214 124.554 120.400 -0.101 0.000 2.154 528 K HA 0.461 4.782 4.320 0.002 0.000 0.264 528 K C 0.023 176.523 176.600 -0.167 0.000 1.008 528 K CA -0.569 55.601 56.287 -0.196 0.000 0.937 528 K CB 0.821 33.193 32.500 -0.214 0.000 1.002 528 K HN 0.609 nan 8.250 nan 0.000 0.469 529 I N -1.957 118.425 120.570 -0.313 0.000 2.841 529 I HA 0.452 4.623 4.170 0.002 0.000 0.298 529 I C -1.427 174.455 176.117 -0.391 0.000 1.304 529 I CA -1.104 60.093 61.300 -0.172 0.000 1.019 529 I CB 1.462 39.411 38.000 -0.084 0.000 1.282 529 I HN 0.289 nan 8.210 nan 0.000 0.432 530 F N 2.388 122.279 119.950 -0.098 0.000 2.444 530 F HA 0.810 5.337 4.527 0.000 0.000 0.342 530 F C 0.452 176.158 175.800 -0.157 0.000 1.121 530 F CA -0.575 57.358 58.000 -0.113 0.000 0.997 530 F CB 2.069 41.027 39.000 -0.071 0.000 1.130 530 F HN 0.674 nan 8.300 nan 0.000 0.454 531 T N 1.434 115.939 114.554 -0.080 0.000 2.957 531 T HA 0.246 4.597 4.350 0.002 0.000 0.336 531 T C -0.896 173.739 174.700 -0.108 0.000 1.462 531 T CA -0.687 61.311 62.100 -0.171 0.000 1.073 531 T CB 1.249 69.777 68.868 -0.566 0.000 1.319 531 T HN 0.625 nan 8.240 nan 0.000 0.485 532 D N 2.120 122.499 120.400 -0.035 0.000 2.424 532 D HA 0.132 4.773 4.640 0.002 0.000 0.220 532 D C 0.044 176.377 176.300 0.055 0.000 1.150 532 D CA -0.175 53.837 54.000 0.019 0.000 0.831 532 D CB 0.710 41.536 40.800 0.044 0.000 0.981 532 D HN 0.537 nan 8.370 nan 0.000 0.500 533 E N 1.302 121.521 120.200 0.030 0.000 2.373 533 E HA 0.118 4.469 4.350 0.002 0.000 0.267 533 E C 0.214 176.918 176.600 0.174 0.000 1.032 533 E CA 0.264 56.739 56.400 0.125 0.000 0.889 533 E CB 0.886 30.716 29.700 0.216 0.000 0.984 533 E HN 0.022 nan 8.360 nan 0.000 0.425 534 N N 2.285 121.103 118.700 0.196 0.000 3.012 534 N HA 0.080 4.821 4.740 0.002 0.000 0.270 534 N C -0.183 175.414 175.510 0.145 0.000 1.469 534 N CA -0.016 53.184 53.050 0.250 0.000 0.928 534 N CB 1.306 39.981 38.487 0.314 0.000 1.219 534 N HN 0.341 nan 8.380 nan 0.000 0.492 535 T N -0.248 114.417 114.554 0.185 0.000 2.898 535 T HA 0.346 4.697 4.350 0.002 0.000 0.283 535 T C 1.803 176.514 174.700 0.019 0.000 1.059 535 T CA -0.614 61.502 62.100 0.027 0.000 0.958 535 T CB 0.749 69.675 68.868 0.097 0.000 1.594 535 T HN 0.266 nan 8.240 nan 0.000 0.598 536 I N -0.026 120.452 120.570 -0.153 0.000 2.143 536 I HA -0.245 3.926 4.170 0.002 0.000 0.245 536 I C 1.908 177.998 176.117 -0.046 0.000 1.068 536 I CA 2.079 63.267 61.300 -0.186 0.000 1.326 536 I CB -0.260 37.532 38.000 -0.347 0.000 1.028 536 I HN 0.718 nan 8.210 nan 0.000 0.412 537 F N 0.480 120.581 119.950 0.251 0.000 2.161 537 F HA -0.288 4.243 4.527 0.007 0.000 0.300 537 F C 2.604 178.570 175.800 0.278 0.000 1.089 537 F CA 1.282 59.427 58.000 0.241 0.000 1.282 537 F CB -0.687 38.450 39.000 0.228 0.000 1.010 537 F HN 0.156 nan 8.300 nan 0.000 0.485 538 Q N -0.728 119.356 119.800 0.472 0.000 2.049 538 Q HA -0.130 4.211 4.340 0.002 0.000 0.198 538 Q C 2.010 178.334 176.000 0.541 0.000 0.971 538 Q CA 1.370 57.465 55.803 0.487 0.000 0.833 538 Q CB -0.860 28.189 28.738 0.517 0.000 0.896 538 Q HN 0.402 nan 8.270 nan 0.000 0.434 539 Y N 0.382 120.815 120.300 0.221 0.000 2.165 539 Y HA -0.170 4.390 4.550 0.017 0.000 0.286 539 Y C 1.925 177.998 175.900 0.288 0.000 1.155 539 Y CA 1.017 59.212 58.100 0.158 0.000 1.164 539 Y CB -0.334 38.071 38.460 -0.091 0.000 0.978 539 Y HN 0.063 nan 8.280 nan 0.000 0.513 540 L N -1.953 119.508 121.223 0.397 0.000 2.093 540 L HA -0.260 4.081 4.340 0.002 0.000 0.208 540 L C 2.246 179.265 176.870 0.248 0.000 1.085 540 L CA 1.413 56.477 54.840 0.374 0.000 0.755 540 L CB -0.685 41.603 42.059 0.382 0.000 0.904 540 L HN 0.235 nan 8.230 nan 0.000 0.435 541 Y N 1.121 121.518 120.300 0.161 0.000 2.181 541 Y HA -0.301 4.249 4.550 -0.000 0.000 0.288 541 Y C 2.911 178.810 175.900 -0.000 0.000 1.146 541 Y CA 1.539 59.670 58.100 0.051 0.000 1.164 541 Y CB -0.353 38.167 38.460 0.100 0.000 0.982 541 Y HN 0.260 nan 8.280 nan 0.000 0.515 542 S N -0.493 115.248 115.700 0.069 0.000 2.500 542 S HA -0.212 4.259 4.470 0.002 0.000 0.239 542 S C 1.330 175.923 174.600 -0.010 0.000 0.989 542 S CA 1.313 59.487 58.200 -0.043 0.000 0.951 542 S CB -0.514 62.682 63.200 -0.007 0.000 0.759 542 S HN 0.714 nan 8.310 nan 0.000 0.523 543 Q N 1.509 121.294 119.800 -0.025 0.000 2.246 543 Q HA 0.179 4.520 4.340 0.002 0.000 0.202 543 Q C 0.507 176.350 176.000 -0.262 0.000 0.883 543 Q CA 0.318 56.108 55.803 -0.021 0.000 0.952 543 Q CB 0.626 29.452 28.738 0.147 0.000 1.078 543 Q HN 0.803 nan 8.270 nan 0.000 0.493 544 T N -1.876 112.439 114.554 -0.398 0.000 2.927 544 T HA 0.723 5.074 4.350 0.002 0.000 0.286 544 T C -0.486 174.129 174.700 -0.143 0.000 1.040 544 T CA -0.857 60.984 62.100 -0.432 0.000 1.010 544 T CB 1.317 69.798 68.868 -0.644 0.000 1.177 544 T HN 0.159 nan 8.240 nan 0.000 0.546 545 F N -2.269 117.540 119.950 -0.234 0.000 2.654 545 F HA 0.762 5.289 4.527 0.001 0.000 0.308 545 F C -3.248 172.488 175.800 -0.106 0.000 1.108 545 F CA -2.508 55.397 58.000 -0.158 0.000 0.957 545 F CB -0.333 38.604 39.000 -0.105 0.000 1.309 545 F HN 0.444 nan 8.300 nan 0.000 0.446 546 P HA 0.260 nan 4.420 nan 0.000 0.269 546 P C 0.736 178.044 177.300 0.012 0.000 1.215 546 P CA -0.398 62.694 63.100 -0.014 0.000 0.780 546 P CB 0.889 32.610 31.700 0.035 0.000 0.898 547 L N 1.202 122.406 121.223 -0.032 0.000 2.201 547 L HA -0.151 4.190 4.340 0.002 0.000 0.212 547 L C 1.299 178.204 176.870 0.059 0.000 1.105 547 L CA 1.490 56.330 54.840 -0.001 0.000 0.775 547 L CB -0.749 41.299 42.059 -0.019 0.000 0.913 547 L HN 0.477 nan 8.230 nan 0.000 0.440 548 D N -1.043 119.388 120.400 0.052 0.000 2.336 548 D HA 0.015 4.656 4.640 0.002 0.000 0.229 548 D C 0.397 176.739 176.300 0.069 0.000 1.061 548 D CA 0.306 54.338 54.000 0.054 0.000 0.875 548 D CB 0.148 40.968 40.800 0.034 0.000 0.904 548 D HN 0.009 nan 8.370 nan 0.000 0.525 549 I N 1.415 122.051 120.570 0.110 0.000 2.406 549 I HA 0.281 4.452 4.170 0.002 0.000 0.290 549 I C 0.982 177.165 176.117 0.110 0.000 0.999 549 I CA -0.706 60.650 61.300 0.094 0.000 1.124 549 I CB 1.843 39.905 38.000 0.103 0.000 1.289 549 I HN 0.121 nan 8.210 nan 0.000 0.441 550 R N 2.187 122.699 120.500 0.019 0.000 2.509 550 R HA 0.289 4.631 4.340 0.002 0.000 0.297 550 R C -0.438 175.700 176.300 -0.271 0.000 0.951 550 R CA -0.295 55.811 56.100 0.009 0.000 1.103 550 R CB 0.624 31.016 30.300 0.153 0.000 1.283 550 R HN 0.360 nan 8.270 nan 0.000 0.534 551 D N 2.357 122.481 120.400 -0.460 0.000 2.453 551 D HA 0.298 4.939 4.640 0.002 0.000 0.238 551 D C -0.232 175.766 176.300 -0.503 0.000 1.088 551 D CA -0.679 52.804 54.000 -0.863 0.000 0.854 551 D CB 1.049 41.285 40.800 -0.939 0.000 1.076 551 D HN 0.402 nan 8.370 nan 0.000 0.533 552 I N -0.589 119.697 120.570 -0.474 0.000 3.067 552 I HA 0.757 4.928 4.170 0.002 0.000 0.312 552 I C -0.749 175.218 176.117 -0.250 0.000 1.073 552 I CA -0.809 60.279 61.300 -0.354 0.000 1.016 552 I CB 2.301 40.011 38.000 -0.484 0.000 1.227 552 I HN 0.064 nan 8.210 nan 0.000 0.456 553 S N 2.621 118.212 115.700 -0.180 0.000 2.540 553 S HA 0.615 5.086 4.470 0.002 0.000 0.275 553 S C -0.606 173.940 174.600 -0.089 0.000 1.123 553 S CA -0.754 57.373 58.200 -0.121 0.000 0.907 553 S CB 1.851 64.983 63.200 -0.115 0.000 1.081 553 S HN 0.504 nan 8.310 nan 0.000 0.476 554 L N 1.880 123.064 121.223 -0.065 0.000 2.399 554 L HA 0.746 5.087 4.340 0.002 0.000 0.266 554 L C 0.438 177.292 176.870 -0.027 0.000 1.114 554 L CA -0.222 54.592 54.840 -0.043 0.000 0.804 554 L CB 1.439 43.474 42.059 -0.040 0.000 1.146 554 L HN 0.710 nan 8.230 nan 0.000 0.451 555 T N -1.146 113.408 114.554 0.000 0.000 2.982 555 T HA 0.177 4.528 4.350 0.002 0.000 0.321 555 T C 0.475 175.230 174.700 0.092 0.000 1.229 555 T CA -0.259 61.865 62.100 0.040 0.000 1.044 555 T CB 1.450 70.348 68.868 0.050 0.000 1.184 555 T HN 0.676 nan 8.240 nan 0.000 0.477 556 S N 2.265 118.032 115.700 0.111 0.000 2.603 556 S HA 0.149 4.621 4.470 0.002 0.000 0.220 556 S C 1.004 175.838 174.600 0.390 0.000 0.967 556 S CA 0.046 58.355 58.200 0.182 0.000 0.920 556 S CB -0.008 63.280 63.200 0.147 0.000 0.773 556 S HN 0.634 nan 8.310 nan 0.000 0.529 557 S N 1.226 117.107 115.700 0.303 0.000 2.399 557 S HA 0.340 4.811 4.470 0.002 0.000 0.301 557 S C 0.410 175.147 174.600 0.228 0.000 1.093 557 S CA -0.919 57.433 58.200 0.254 0.000 1.077 557 S CB -0.399 62.883 63.200 0.138 0.000 0.980 557 S HN 0.405 nan 8.310 nan 0.000 0.494 558 F N 4.981 124.903 119.950 -0.046 0.000 2.161 558 F HA -0.111 4.424 4.527 0.013 0.000 0.300 558 F C 1.606 177.273 175.800 -0.221 0.000 1.089 558 F CA 1.866 59.568 58.000 -0.496 0.000 1.282 558 F CB -0.113 38.367 39.000 -0.867 0.000 1.010 558 F HN 0.595 nan 8.300 nan 0.000 0.485 559 D N 0.121 120.357 120.400 -0.272 0.000 2.178 559 D HA -0.154 4.487 4.640 0.002 0.000 0.202 559 D C 1.709 177.913 176.300 -0.159 0.000 0.974 559 D CA 1.366 55.197 54.000 -0.283 0.000 0.841 559 D CB -0.328 40.451 40.800 -0.036 0.000 0.953 559 D HN 0.398 nan 8.370 nan 0.000 0.478 560 D N 0.910 121.302 120.400 -0.014 0.000 2.137 560 D HA -0.028 4.613 4.640 0.002 0.000 0.202 560 D C 2.136 178.520 176.300 0.141 0.000 0.970 560 D CA 0.757 54.859 54.000 0.170 0.000 0.837 560 D CB -0.201 40.675 40.800 0.127 0.000 0.981 560 D HN 0.057 nan 8.370 nan 0.000 0.475 561 A N 1.148 123.966 122.820 -0.003 0.000 1.948 561 A HA -0.173 4.148 4.320 0.002 0.000 0.220 561 A C 2.358 179.877 177.584 -0.108 0.000 1.177 561 A CA 1.069 53.092 52.037 -0.024 0.000 0.636 561 A CB -0.790 18.206 19.000 -0.006 0.000 0.815 561 A HN 0.213 nan 8.150 nan 0.000 0.449 562 L N -1.589 119.478 121.223 -0.260 0.000 2.109 562 L HA -0.097 4.244 4.340 0.002 0.000 0.207 562 L C 2.500 179.276 176.870 -0.157 0.000 1.086 562 L CA 0.914 55.615 54.840 -0.233 0.000 0.760 562 L CB -0.346 41.483 42.059 -0.383 0.000 0.910 562 L HN 0.444 nan 8.230 nan 0.000 0.437 563 L N -0.826 120.294 121.223 -0.172 0.000 2.179 563 L HA 0.033 4.374 4.340 0.002 0.000 0.208 563 L C 0.037 176.555 176.870 -0.587 0.000 1.096 563 L CA 1.366 55.981 54.840 -0.375 0.000 0.779 563 L CB -0.061 41.731 42.059 -0.445 0.000 0.922 563 L HN -0.122 nan 8.230 nan 0.000 0.443 564 F N -0.794 119.115 119.950 -0.068 0.000 2.427 564 F HA 0.282 4.809 4.527 0.000 0.000 0.348 564 F C 1.643 177.409 175.800 -0.057 0.000 1.125 564 F CA -0.197 57.771 58.000 -0.055 0.000 0.989 564 F CB 0.979 39.947 39.000 -0.053 0.000 1.165 564 F HN -0.075 nan 8.300 nan 0.000 0.442 565 S N 0.886 116.633 115.700 0.078 0.000 2.420 565 S HA -0.250 4.221 4.470 0.002 0.000 0.237 565 S C 1.369 175.998 174.600 0.048 0.000 1.023 565 S CA 1.556 59.782 58.200 0.044 0.000 0.991 565 S CB -0.478 62.740 63.200 0.031 0.000 0.792 565 S HN 0.753 nan 8.310 nan 0.000 0.488 566 N N 0.795 119.527 118.700 0.054 0.000 2.398 566 N HA 0.055 4.796 4.740 0.002 0.000 0.188 566 N C -0.262 175.219 175.510 -0.049 0.000 1.122 566 N CA 0.171 53.203 53.050 -0.029 0.000 0.866 566 N CB -0.028 38.434 38.487 -0.042 0.000 0.970 566 N HN 0.227 nan 8.380 nan 0.000 0.462 567 K N 1.302 121.716 120.400 0.023 0.000 2.235 567 K HA 0.427 4.748 4.320 0.002 0.000 0.266 567 K C -0.851 175.755 176.600 0.011 0.000 0.980 567 K CA -0.716 55.575 56.287 0.007 0.000 0.849 567 K CB 2.714 35.252 32.500 0.062 0.000 1.098 567 K HN -0.173 nan 8.250 nan 0.000 0.445 568 V N 3.779 123.690 119.914 -0.004 0.000 2.540 568 V HA 0.202 4.324 4.120 0.002 0.000 0.302 568 V C -0.624 175.516 176.094 0.076 0.000 1.035 568 V CA -1.159 61.158 62.300 0.028 0.000 0.873 568 V CB 1.375 33.199 31.823 0.001 0.000 0.992 568 V HN 0.626 nan 8.190 nan 0.000 0.428 569 Y N 3.446 123.739 120.300 -0.012 0.000 2.425 569 Y HA 0.474 5.024 4.550 -0.000 0.000 0.331 569 Y C 0.512 176.425 175.900 0.021 0.000 1.157 569 Y CA 0.539 58.656 58.100 0.028 0.000 1.372 569 Y CB 1.168 39.670 38.460 0.070 0.000 1.253 569 Y HN 0.663 nan 8.280 nan 0.000 0.536 570 S N 6.142 121.401 115.700 -0.734 0.000 2.571 570 S HA 0.385 4.856 4.470 0.002 0.000 0.284 570 S C -0.331 173.700 174.600 -0.948 0.000 1.128 570 S CA -0.792 56.950 58.200 -0.764 0.000 0.970 570 S CB 0.047 63.043 63.200 -0.340 0.000 1.039 570 S HN 0.630 nan 8.310 nan 0.000 0.485 571 F N 2.769 122.286 119.950 -0.721 0.000 2.660 571 F HA 0.545 5.076 4.527 0.007 0.000 0.302 571 F C -0.028 175.676 175.800 -0.160 0.000 1.103 571 F CA -1.029 56.736 58.000 -0.392 0.000 1.340 571 F CB -0.486 38.399 39.000 -0.192 0.000 1.048 571 F HN 0.329 nan 8.300 nan 0.000 0.551 572 F N 1.112 120.745 119.950 -0.529 0.000 2.362 572 F HA 0.349 4.876 4.527 -0.000 0.000 0.311 572 F C 1.394 177.107 175.800 -0.144 0.000 1.161 572 F CA -1.250 56.478 58.000 -0.453 0.000 1.085 572 F CB 0.889 39.372 39.000 -0.862 0.000 1.311 572 F HN -0.022 nan 8.300 nan 0.000 0.524 573 S N 1.411 117.167 115.700 0.094 0.000 2.563 573 S HA -0.070 4.401 4.470 0.002 0.000 0.284 573 S C 0.974 175.657 174.600 0.139 0.000 1.331 573 S CA -0.699 57.559 58.200 0.097 0.000 1.047 573 S CB 0.831 64.052 63.200 0.036 0.000 0.859 573 S HN 0.878 nan 8.310 nan 0.000 0.514 574 M N 0.884 120.544 119.600 0.100 0.000 2.108 574 M HA -0.221 4.260 4.480 0.002 0.000 0.257 574 M C 1.688 178.031 176.300 0.071 0.000 1.071 574 M CA 2.674 58.024 55.300 0.082 0.000 1.093 574 M CB -0.721 31.920 32.600 0.068 0.000 1.345 574 M HN 0.972 nan 8.290 nan 0.000 0.403 575 D N -0.741 119.700 120.400 0.069 0.000 2.084 575 D HA -0.264 4.377 4.640 0.002 0.000 0.194 575 D C 1.876 178.208 176.300 0.053 0.000 0.990 575 D CA 1.854 55.885 54.000 0.051 0.000 0.826 575 D CB -0.530 40.295 40.800 0.042 0.000 0.971 575 D HN 0.586 nan 8.370 nan 0.000 0.453 576 Y N 0.861 121.144 120.300 -0.027 0.000 2.151 576 Y HA -0.177 4.374 4.550 0.002 0.000 0.284 576 Y C 2.013 177.919 175.900 0.010 0.000 1.166 576 Y CA 1.687 59.767 58.100 -0.033 0.000 1.163 576 Y CB -0.346 38.070 38.460 -0.073 0.000 0.974 576 Y HN 0.084 nan 8.280 nan 0.000 0.511 577 I N 0.151 120.703 120.570 -0.029 0.000 2.252 577 I HA -0.296 3.875 4.170 0.002 0.000 0.245 577 I C 2.352 178.407 176.117 -0.104 0.000 1.102 577 I CA 1.573 62.815 61.300 -0.097 0.000 1.385 577 I CB -0.424 37.594 38.000 0.031 0.000 1.064 577 I HN 0.192 nan 8.210 nan 0.000 0.414 578 K N 0.325 120.698 120.400 -0.044 0.000 2.025 578 K HA -0.116 4.205 4.320 0.002 0.000 0.207 578 K C 2.126 178.728 176.600 0.003 0.000 1.049 578 K CA 1.861 58.139 56.287 -0.015 0.000 0.933 578 K CB -0.301 32.204 32.500 0.008 0.000 0.714 578 K HN 0.275 nan 8.250 nan 0.000 0.438 579 T N 1.209 115.756 114.554 -0.012 0.000 2.720 579 T HA -0.164 4.187 4.350 0.002 0.000 0.268 579 T C 1.987 176.803 174.700 0.194 0.000 1.037 579 T CA 1.428 63.574 62.100 0.076 0.000 1.144 579 T CB -0.270 68.583 68.868 -0.024 0.000 0.864 579 T HN 0.320 nan 8.240 nan 0.000 0.444 580 A N 2.222 125.009 122.820 -0.055 0.000 2.019 580 A HA -0.102 4.219 4.320 0.002 0.000 0.219 580 A C 2.053 179.758 177.584 0.201 0.000 1.164 580 A CA 1.208 53.264 52.037 0.031 0.000 0.644 580 A CB -0.350 18.468 19.000 -0.304 0.000 0.805 580 A HN 0.421 nan 8.150 nan 0.000 0.449 581 N N -0.460 118.287 118.700 0.078 0.000 2.336 581 N HA 0.033 4.774 4.740 0.002 0.000 0.189 581 N C 0.505 176.018 175.510 0.005 0.000 1.113 581 N CA 0.158 53.227 53.050 0.030 0.000 0.858 581 N CB 0.071 38.545 38.487 -0.020 0.000 0.970 581 N HN 0.562 nan 8.380 nan 0.000 0.471 582 K N 1.073 121.504 120.400 0.052 0.000 2.336 582 K HA 0.177 4.498 4.320 0.002 0.000 0.262 582 K C -0.607 175.830 176.600 -0.271 0.000 0.992 582 K CA 0.157 56.413 56.287 -0.052 0.000 0.927 582 K CB 0.734 33.269 32.500 0.058 0.000 0.956 582 K HN -0.276 nan 8.250 nan 0.000 0.495 583 V N 4.059 123.831 119.914 -0.236 0.000 2.638 583 V HA 0.408 4.529 4.120 0.002 0.000 0.306 583 V C -0.433 175.548 176.094 -0.190 0.000 1.052 583 V CA -0.795 61.350 62.300 -0.259 0.000 0.885 583 V CB 1.481 33.215 31.823 -0.147 0.000 0.999 583 V HN 0.705 nan 8.190 nan 0.000 0.424 584 V N 0.533 120.355 119.914 -0.153 0.000 3.158 584 V HA 0.747 4.868 4.120 0.002 0.000 0.311 584 V C -0.483 175.677 176.094 0.110 0.000 1.181 584 V CA -0.948 61.343 62.300 -0.015 0.000 1.054 584 V CB 2.174 33.996 31.823 -0.002 0.000 1.085 584 V HN 0.669 nan 8.190 nan 0.000 0.446 585 E N 0.650 120.903 120.200 0.087 0.000 2.373 585 E HA 0.416 4.767 4.350 0.002 0.000 0.267 585 E C 1.306 177.920 176.600 0.023 0.000 1.032 585 E CA 0.552 56.992 56.400 0.066 0.000 0.889 585 E CB 1.588 31.301 29.700 0.021 0.000 0.984 585 E HN 0.974 nan 8.360 nan 0.000 0.425 586 A N 3.591 126.287 122.820 -0.207 0.000 1.940 586 A HA -0.224 4.097 4.320 0.002 0.000 0.221 586 A C 1.987 179.438 177.584 -0.221 0.000 1.190 586 A CA 2.293 53.924 52.037 -0.677 0.000 0.647 586 A CB -0.875 17.617 19.000 -0.845 0.000 0.821 586 A HN 0.685 nan 8.150 nan 0.000 0.457 587 G N -1.243 107.493 108.800 -0.107 0.000 2.559 587 G HA2 0.085 4.046 3.960 0.002 0.000 0.216 587 G HA3 0.085 4.046 3.960 0.002 0.000 0.216 587 G C 1.193 176.111 174.900 0.031 0.000 1.126 587 G CA 0.958 46.039 45.100 -0.031 0.000 0.778 587 G HN 0.483 nan 8.290 nan 0.000 0.543 588 L N -1.320 119.947 121.223 0.074 0.000 2.766 588 L HA 0.381 4.722 4.340 0.002 0.000 0.242 588 L C 1.875 178.869 176.870 0.207 0.000 1.136 588 L CA -0.464 54.444 54.840 0.113 0.000 0.933 588 L CB 0.090 42.206 42.059 0.094 0.000 1.241 588 L HN 0.077 nan 8.230 nan 0.000 0.522 589 F N 1.958 121.960 119.950 0.087 0.000 2.095 589 F HA -0.244 4.284 4.527 0.002 0.000 0.298 589 F C 2.429 178.375 175.800 0.244 0.000 1.104 589 F CA 1.586 59.712 58.000 0.210 0.000 1.232 589 F CB -0.092 39.050 39.000 0.237 0.000 0.987 589 F HN 0.071 nan 8.300 nan 0.000 0.475 590 A N 0.170 123.079 122.820 0.149 0.000 1.908 590 A HA -0.097 4.224 4.320 0.002 0.000 0.218 590 A C 2.529 180.082 177.584 -0.052 0.000 1.181 590 A CA 1.820 53.855 52.037 -0.002 0.000 0.627 590 A CB -1.812 17.210 19.000 0.037 0.000 0.818 590 A HN 0.510 nan 8.150 nan 0.000 0.445 591 G N -1.617 107.194 108.800 0.018 0.000 2.446 591 G HA2 -0.299 3.662 3.960 0.002 0.000 0.217 591 G HA3 -0.299 3.662 3.960 0.002 0.000 0.217 591 G C 1.404 176.303 174.900 -0.002 0.000 1.168 591 G CA 1.135 46.240 45.100 0.009 0.000 0.771 591 G HN 0.714 nan 8.290 nan 0.000 0.551 592 W N 1.110 122.318 121.300 -0.154 0.000 2.335 592 W HA -0.121 4.539 4.660 0.002 0.000 0.311 592 W C 2.496 178.855 176.519 -0.267 0.000 1.213 592 W CA 1.942 59.178 57.345 -0.182 0.000 1.274 592 W CB -0.459 28.903 29.460 -0.163 0.000 1.148 592 W HN 0.040 nan 8.180 nan 0.000 0.498 593 V N 1.638 121.316 119.914 -0.393 0.000 2.287 593 V HA -0.376 3.746 4.120 0.002 0.000 0.248 593 V C 2.561 178.361 176.094 -0.490 0.000 1.053 593 V CA 2.499 64.424 62.300 -0.624 0.000 1.027 593 V CB -1.126 30.373 31.823 -0.539 0.000 0.646 593 V HN 0.274 nan 8.190 nan 0.000 0.447 594 K N -0.305 119.902 120.400 -0.321 0.000 2.097 594 K HA -0.253 4.068 4.320 0.002 0.000 0.206 594 K C 2.266 178.724 176.600 -0.236 0.000 1.049 594 K CA 1.879 58.026 56.287 -0.234 0.000 0.933 594 K CB -0.122 32.286 32.500 -0.152 0.000 0.717 594 K HN 0.564 nan 8.250 nan 0.000 0.442 595 Q N 0.453 120.089 119.800 -0.273 0.000 2.016 595 Q HA -0.167 4.174 4.340 0.002 0.000 0.200 595 Q C 2.151 177.974 176.000 -0.296 0.000 0.978 595 Q CA 1.469 57.127 55.803 -0.240 0.000 0.833 595 Q CB -0.102 28.516 28.738 -0.200 0.000 0.895 595 Q HN 0.335 nan 8.270 nan 0.000 0.427 596 I N 0.236 120.482 120.570 -0.539 0.000 2.394 596 I HA -0.198 3.973 4.170 0.002 0.000 0.251 596 I C 1.953 177.944 176.117 -0.210 0.000 1.136 596 I CA 0.849 61.865 61.300 -0.473 0.000 1.425 596 I CB -0.141 37.315 38.000 -0.907 0.000 1.079 596 I HN 0.055 nan 8.210 nan 0.000 0.425 597 V N 0.772 120.528 119.914 -0.263 0.000 2.270 597 V HA -0.282 3.839 4.120 0.002 0.000 0.245 597 V C 2.320 178.402 176.094 -0.021 0.000 1.043 597 V CA 2.185 64.406 62.300 -0.131 0.000 1.014 597 V CB -1.115 30.588 31.823 -0.199 0.000 0.645 597 V HN 0.534 nan 8.190 nan 0.000 0.447 598 N N 0.494 119.151 118.700 -0.073 0.000 2.104 598 N HA -0.211 4.530 4.740 0.002 0.000 0.190 598 N C 1.421 176.919 175.510 -0.019 0.000 1.024 598 N CA 1.899 54.924 53.050 -0.042 0.000 0.853 598 N CB -0.258 38.188 38.487 -0.068 0.000 1.008 598 N HN 0.463 nan 8.380 nan 0.000 0.424 599 D N -0.739 119.653 120.400 -0.013 0.000 2.104 599 D HA -0.157 4.484 4.640 0.002 0.000 0.194 599 D C 1.487 177.775 176.300 -0.020 0.000 0.994 599 D CA 0.838 54.845 54.000 0.011 0.000 0.830 599 D CB -0.437 40.418 40.800 0.090 0.000 0.959 599 D HN 0.330 nan 8.370 nan 0.000 0.452 600 F N 0.883 120.800 119.950 -0.054 0.000 2.065 600 F HA -0.260 4.269 4.527 0.004 0.000 0.298 600 F C 2.193 177.837 175.800 -0.261 0.000 1.112 600 F CA 1.201 59.099 58.000 -0.170 0.000 1.212 600 F CB -0.263 38.751 39.000 0.022 0.000 0.975 600 F HN -0.168 nan 8.300 nan 0.000 0.476 601 V N 0.876 120.860 119.914 0.118 0.000 2.392 601 V HA -0.333 3.788 4.120 0.002 0.000 0.249 601 V C 2.380 178.385 176.094 -0.148 0.000 1.059 601 V CA 2.048 64.365 62.300 0.028 0.000 1.051 601 V CB -0.667 31.191 31.823 0.059 0.000 0.658 601 V HN 0.398 nan 8.190 nan 0.000 0.455 602 I N -0.381 120.080 120.570 -0.182 0.000 2.142 602 I HA -0.196 3.975 4.170 0.002 0.000 0.240 602 I C 2.716 178.620 176.117 -0.356 0.000 1.078 602 I CA 1.451 62.625 61.300 -0.209 0.000 1.343 602 I CB -0.481 37.419 38.000 -0.167 0.000 1.046 602 I HN 0.324 nan 8.210 nan 0.000 0.405 603 E N 1.053 120.858 120.200 -0.657 0.000 2.058 603 E HA -0.225 4.126 4.350 0.002 0.000 0.194 603 E C 2.329 178.368 176.600 -0.935 0.000 0.997 603 E CA 1.580 57.331 56.400 -1.082 0.000 0.801 603 E CB -0.366 27.980 29.700 -2.257 0.000 0.746 603 E HN 0.509 nan 8.360 nan 0.000 0.450 604 A N 1.662 123.969 122.820 -0.855 0.000 1.933 604 A HA -0.195 4.127 4.320 0.002 0.000 0.218 604 A C 1.834 179.408 177.584 -0.017 0.000 1.175 604 A CA 1.601 53.459 52.037 -0.298 0.000 0.628 604 A CB -0.855 18.030 19.000 -0.192 0.000 0.814 604 A HN 0.301 nan 8.150 nan 0.000 0.444 605 N N -0.643 118.003 118.700 -0.091 0.000 2.550 605 N HA -0.058 4.683 4.740 0.002 0.000 0.186 605 N C 1.033 176.535 175.510 -0.013 0.000 1.110 605 N CA 0.381 53.415 53.050 -0.027 0.000 0.912 605 N CB -0.060 38.397 38.487 -0.049 0.000 0.968 605 N HN 0.472 nan 8.380 nan 0.000 0.448 606 K N 0.639 121.047 120.400 0.013 0.000 2.555 606 K HA 0.001 4.322 4.320 0.002 0.000 0.193 606 K C 1.657 178.258 176.600 0.001 0.000 1.032 606 K CA 0.411 56.713 56.287 0.025 0.000 1.004 606 K CB 0.145 32.680 32.500 0.058 0.000 0.804 606 K HN 0.201 nan 8.250 nan 0.000 0.496 607 S N 1.063 116.778 115.700 0.025 0.000 2.515 607 S HA -0.102 4.369 4.470 0.002 0.000 0.231 607 S C 1.100 175.613 174.600 -0.146 0.000 0.987 607 S CA 0.886 58.995 58.200 -0.151 0.000 0.936 607 S CB -0.360 62.819 63.200 -0.035 0.000 0.766 607 S HN 0.381 nan 8.310 nan 0.000 0.528 608 N N 0.679 119.329 118.700 -0.083 0.000 2.279 608 N HA 0.113 4.854 4.740 0.002 0.000 0.226 608 N C -0.506 174.953 175.510 -0.086 0.000 1.126 608 N CA -0.206 52.801 53.050 -0.073 0.000 0.846 608 N CB -0.567 37.898 38.487 -0.038 0.000 1.050 608 N HN 0.044 nan 8.380 nan 0.000 0.502 609 T N 1.449 115.932 114.554 -0.118 0.000 2.928 609 T HA 0.105 4.456 4.350 0.002 0.000 0.305 609 T C 0.360 174.999 174.700 -0.101 0.000 1.035 609 T CA 0.295 62.331 62.100 -0.106 0.000 1.145 609 T CB 0.409 69.208 68.868 -0.116 0.000 0.963 609 T HN 0.203 nan 8.240 nan 0.000 0.545 610 M N 2.368 121.922 119.600 -0.077 0.000 2.537 610 M HA 0.373 4.854 4.480 0.002 0.000 0.324 610 M C 0.022 176.290 176.300 -0.055 0.000 1.187 610 M CA -0.557 54.705 55.300 -0.062 0.000 0.993 610 M CB 1.503 34.065 32.600 -0.063 0.000 1.666 610 M HN 0.462 nan 8.290 nan 0.000 0.461 611 D N 0.379 120.758 120.400 -0.034 0.000 2.940 611 D HA 0.165 4.806 4.640 0.002 0.000 0.366 611 D C 0.617 176.905 176.300 -0.021 0.000 1.446 611 D CA 0.017 54.005 54.000 -0.021 0.000 0.780 611 D CB 0.433 41.236 40.800 0.006 0.000 1.206 611 D HN 0.278 nan 8.370 nan 0.000 0.454 612 K N 0.178 120.554 120.400 -0.039 0.000 2.228 612 K HA -0.139 4.182 4.320 0.002 0.000 0.205 612 K C 1.683 178.250 176.600 -0.054 0.000 1.045 612 K CA 0.579 56.840 56.287 -0.043 0.000 0.931 612 K CB 0.005 32.470 32.500 -0.058 0.000 0.727 612 K HN 0.383 nan 8.250 nan 0.000 0.458 613 I N 0.547 121.083 120.570 -0.057 0.000 2.439 613 I HA -0.125 4.047 4.170 0.002 0.000 0.251 613 I C 1.458 177.505 176.117 -0.117 0.000 1.139 613 I CA 0.950 62.200 61.300 -0.084 0.000 1.438 613 I CB -0.152 37.827 38.000 -0.034 0.000 1.085 613 I HN 0.029 nan 8.210 nan 0.000 0.427 614 A N -0.587 122.197 122.820 -0.060 0.000 2.370 614 A HA 0.141 4.462 4.320 0.002 0.000 0.238 614 A C 0.559 178.117 177.584 -0.044 0.000 1.289 614 A CA 0.308 52.316 52.037 -0.048 0.000 0.885 614 A CB -0.574 18.425 19.000 -0.002 0.000 0.961 614 A HN 0.488 nan 8.150 nan 0.000 0.499 615 D N -0.780 119.590 120.400 -0.050 0.000 2.772 615 D HA -0.156 4.485 4.640 0.002 0.000 0.233 615 D C -0.398 175.902 176.300 -0.001 0.000 1.143 615 D CA 1.141 55.123 54.000 -0.030 0.000 0.700 615 D CB -1.196 39.573 40.800 -0.053 0.000 1.076 615 D HN 0.574 nan 8.370 nan 0.000 0.430 616 I N 0.518 121.103 120.570 0.025 0.000 2.448 616 I HA 0.068 4.239 4.170 0.002 0.000 0.281 616 I C 1.364 177.514 176.117 0.055 0.000 1.027 616 I CA -0.480 60.869 61.300 0.081 0.000 1.111 616 I CB 1.811 39.909 38.000 0.163 0.000 1.236 616 I HN -0.254 nan 8.210 nan 0.000 0.452 617 S N 4.794 120.523 115.700 0.049 0.000 2.355 617 S HA -0.016 4.455 4.470 0.002 0.000 0.222 617 S C 0.328 174.940 174.600 0.020 0.000 1.031 617 S CA 1.009 59.223 58.200 0.023 0.000 0.993 617 S CB 0.009 63.220 63.200 0.018 0.000 0.859 617 S HN 0.477 nan 8.310 nan 0.000 0.453 618 L N 0.271 121.530 121.223 0.060 0.000 2.408 618 L HA 0.776 5.118 4.340 0.002 0.000 0.268 618 L C -1.232 175.613 176.870 -0.041 0.000 0.986 618 L CA -0.608 54.244 54.840 0.020 0.000 0.820 618 L CB 1.902 44.006 42.059 0.075 0.000 1.303 618 L HN 0.193 nan 8.230 nan 0.000 0.411 619 I N 4.208 124.594 120.570 -0.308 0.000 2.680 619 I HA 0.455 4.627 4.170 0.002 0.000 0.291 619 I C -1.474 174.183 176.117 -0.767 0.000 1.244 619 I CA -0.486 60.370 61.300 -0.740 0.000 1.042 619 I CB 2.179 39.933 38.000 -0.410 0.000 1.277 619 I HN 0.312 nan 8.210 nan 0.000 0.423 620 V N 10.395 129.593 119.914 -1.193 0.000 2.304 620 V HA 0.289 4.410 4.120 0.002 0.000 0.262 620 V C -1.313 174.370 176.094 -0.685 0.000 1.061 620 V CA -0.975 60.804 62.300 -0.869 0.000 0.872 620 V CB 0.492 31.781 31.823 -0.890 0.000 1.077 620 V HN 0.694 nan 8.190 nan 0.000 0.480 621 P HA -0.195 nan 4.420 nan 0.000 0.217 621 P C 1.050 178.284 177.300 -0.111 0.000 1.148 621 P CA 1.646 64.680 63.100 -0.111 0.000 0.828 621 P CB 0.050 31.741 31.700 -0.015 0.000 0.783 622 Y N -2.385 117.849 120.300 -0.111 0.000 2.466 622 Y HA 0.308 4.860 4.550 0.002 0.000 0.272 622 Y C 2.137 177.818 175.900 -0.366 0.000 1.169 622 Y CA -0.800 57.238 58.100 -0.104 0.000 1.285 622 Y CB -1.684 36.871 38.460 0.158 0.000 1.078 622 Y HN -0.199 nan 8.280 nan 0.000 0.523 623 I N 1.157 121.362 120.570 -0.608 0.000 2.264 623 I HA -0.221 3.950 4.170 0.002 0.000 0.248 623 I C 2.633 178.374 176.117 -0.628 0.000 1.111 623 I CA 1.622 62.554 61.300 -0.613 0.000 1.382 623 I CB -0.674 36.958 38.000 -0.614 0.000 1.060 623 I HN 0.507 nan 8.210 nan 0.000 0.418 624 G N 0.955 109.218 108.800 -0.895 0.000 2.422 624 G HA2 -0.168 3.793 3.960 0.002 0.000 0.218 624 G HA3 -0.168 3.793 3.960 0.002 0.000 0.218 624 G C 1.707 176.471 174.900 -0.226 0.000 1.146 624 G CA 0.380 45.159 45.100 -0.536 0.000 0.769 624 G HN 0.275 nan 8.290 nan 0.000 0.547 625 L N 0.457 121.632 121.223 -0.079 0.000 2.217 625 L HA 0.074 4.415 4.340 0.002 0.000 0.211 625 L C 3.268 180.303 176.870 0.275 0.000 1.107 625 L CA 0.731 55.682 54.840 0.185 0.000 0.783 625 L CB -0.185 42.062 42.059 0.312 0.000 0.919 625 L HN 0.307 nan 8.230 nan 0.000 0.442 626 A N -0.281 122.446 122.820 -0.155 0.000 1.968 626 A HA 0.004 4.325 4.320 0.002 0.000 0.217 626 A C 1.984 179.568 177.584 0.000 0.000 1.169 626 A CA 1.209 53.011 52.037 -0.392 0.000 0.638 626 A CB -0.086 18.089 19.000 -1.374 0.000 0.812 626 A HN 0.426 nan 8.150 nan 0.000 0.446 627 L N -3.189 117.947 121.223 -0.144 0.000 2.902 627 L HA 0.244 4.585 4.340 0.002 0.000 0.254 627 L C 0.719 177.291 176.870 -0.497 0.000 1.115 627 L CA 0.396 55.137 54.840 -0.165 0.000 0.947 627 L CB 0.031 41.991 42.059 -0.165 0.000 1.369 627 L HN 0.370 nan 8.230 nan 0.000 0.538 628 N N 0.974 119.294 118.700 -0.633 0.000 2.727 628 N HA -0.191 4.550 4.740 0.002 0.000 0.249 628 N C -0.343 174.899 175.510 -0.446 0.000 1.048 628 N CA 0.588 53.192 53.050 -0.744 0.000 0.714 628 N CB -1.012 36.506 38.487 -1.616 0.000 0.959 628 N HN 0.183 nan 8.380 nan 0.000 0.544 629 V N -0.196 119.543 119.914 -0.292 0.000 3.133 629 V HA 0.670 4.791 4.120 0.002 0.000 0.305 629 V C 1.714 177.706 176.094 -0.170 0.000 1.084 629 V CA 0.973 63.150 62.300 -0.205 0.000 1.089 629 V CB 0.771 32.526 31.823 -0.115 0.000 1.073 629 V HN 0.957 nan 8.190 nan 0.000 0.477 630 G N 4.382 113.045 108.800 -0.228 0.000 2.566 630 G HA2 -0.353 3.608 3.960 0.002 0.000 0.280 630 G HA3 -0.353 3.608 3.960 0.002 0.000 0.280 630 G C 0.130 174.948 174.900 -0.138 0.000 1.225 630 G CA 0.571 45.554 45.100 -0.195 0.000 0.966 630 G HN 1.425 nan 8.290 nan 0.000 0.560 631 N N 2.185 120.843 118.700 -0.069 0.000 2.605 631 N HA 0.315 5.056 4.740 0.002 0.000 0.258 631 N C 0.593 176.092 175.510 -0.018 0.000 1.156 631 N CA 0.791 53.816 53.050 -0.041 0.000 1.008 631 N CB -0.270 38.204 38.487 -0.022 0.000 1.354 631 N HN 0.538 nan 8.380 nan 0.000 0.509 632 E N 0.617 120.788 120.200 -0.048 0.000 2.238 632 E HA -0.237 4.114 4.350 0.002 0.000 0.219 632 E C 0.417 177.007 176.600 -0.017 0.000 1.275 632 E CA 1.119 57.489 56.400 -0.049 0.000 0.714 632 E CB -1.782 27.913 29.700 -0.009 0.000 1.154 632 E HN 0.811 nan 8.360 nan 0.000 0.363 633 T N -3.915 110.630 114.554 -0.016 0.000 3.139 633 T HA 0.107 4.458 4.350 0.002 0.000 0.267 633 T C 1.544 176.279 174.700 0.058 0.000 1.164 633 T CA 0.864 63.028 62.100 0.106 0.000 1.075 633 T CB 0.140 69.103 68.868 0.158 0.000 0.904 633 T HN 0.308 nan 8.240 nan 0.000 0.540 634 A N 0.682 123.464 122.820 -0.064 0.000 2.218 634 A HA 0.306 4.627 4.320 0.002 0.000 0.209 634 A C 0.930 178.567 177.584 0.088 0.000 1.168 634 A CA -0.132 51.892 52.037 -0.021 0.000 0.804 634 A CB 0.006 18.910 19.000 -0.161 0.000 0.834 634 A HN 0.525 nan 8.150 nan 0.000 0.482 635 K N -0.517 119.931 120.400 0.081 0.000 2.118 635 K HA 0.532 4.853 4.320 0.002 0.000 0.254 635 K C 0.642 177.310 176.600 0.112 0.000 0.961 635 K CA 0.069 56.416 56.287 0.100 0.000 0.876 635 K CB 1.427 33.974 32.500 0.077 0.000 1.077 635 K HN 0.442 nan 8.250 nan 0.000 0.440 636 G N 1.884 110.749 108.800 0.109 0.000 2.645 636 G HA2 -0.281 3.680 3.960 0.002 0.000 0.239 636 G HA3 -0.281 3.680 3.960 0.002 0.000 0.239 636 G C -0.754 174.221 174.900 0.125 0.000 1.331 636 G CA -0.607 44.554 45.100 0.101 0.000 0.890 636 G HN 0.681 nan 8.290 nan 0.000 0.572 637 N N 0.274 119.041 118.700 0.110 0.000 2.422 637 N HA 0.399 5.140 4.740 0.002 0.000 0.266 637 N C 1.066 176.661 175.510 0.141 0.000 1.007 637 N CA -0.195 52.931 53.050 0.126 0.000 0.941 637 N CB 0.953 39.493 38.487 0.090 0.000 1.115 637 N HN 0.473 nan 8.380 nan 0.000 0.492 638 F N 3.896 123.880 119.950 0.058 0.000 2.113 638 F HA -0.075 4.449 4.527 -0.005 0.000 0.297 638 F C 2.222 178.073 175.800 0.085 0.000 1.103 638 F CA 1.558 59.593 58.000 0.058 0.000 1.248 638 F CB -0.058 38.951 39.000 0.015 0.000 0.999 638 F HN 0.693 nan 8.300 nan 0.000 0.475 639 E N 0.026 120.230 120.200 0.006 0.000 2.070 639 E HA -0.355 3.996 4.350 0.002 0.000 0.197 639 E C 2.053 178.629 176.600 -0.039 0.000 1.004 639 E CA 1.702 58.073 56.400 -0.048 0.000 0.805 639 E CB -0.412 29.302 29.700 0.023 0.000 0.744 639 E HN 0.493 nan 8.360 nan 0.000 0.451 640 N N 0.222 118.912 118.700 -0.017 0.000 2.039 640 N HA -0.178 4.563 4.740 0.002 0.000 0.193 640 N C 1.746 177.226 175.510 -0.050 0.000 1.044 640 N CA 2.228 55.273 53.050 -0.008 0.000 0.847 640 N CB -0.445 38.051 38.487 0.016 0.000 1.030 640 N HN 0.210 nan 8.380 nan 0.000 0.422 641 A N -0.341 122.430 122.820 -0.081 0.000 1.927 641 A HA -0.195 4.127 4.320 0.002 0.000 0.220 641 A C 2.252 179.748 177.584 -0.147 0.000 1.185 641 A CA 1.699 53.674 52.037 -0.103 0.000 0.639 641 A CB -1.379 17.565 19.000 -0.093 0.000 0.820 641 A HN 0.540 nan 8.150 nan 0.000 0.451 642 F N 0.841 120.542 119.950 -0.415 0.000 2.113 642 F HA -0.120 4.401 4.527 -0.011 0.000 0.297 642 F C 2.245 177.952 175.800 -0.155 0.000 1.103 642 F CA 2.045 59.838 58.000 -0.344 0.000 1.248 642 F CB -0.357 38.358 39.000 -0.474 0.000 0.999 642 F HN 0.392 nan 8.300 nan 0.000 0.475 643 E N 0.316 120.473 120.200 -0.071 0.000 2.130 643 E HA -0.248 4.103 4.350 0.002 0.000 0.196 643 E C 2.330 178.828 176.600 -0.169 0.000 0.998 643 E CA 1.862 58.202 56.400 -0.100 0.000 0.806 643 E CB -0.320 29.373 29.700 -0.012 0.000 0.738 643 E HN 0.495 nan 8.360 nan 0.000 0.459 644 I N 0.479 120.963 120.570 -0.143 0.000 2.193 644 I HA -0.177 3.995 4.170 0.002 0.000 0.240 644 I C 2.290 178.311 176.117 -0.161 0.000 1.084 644 I CA 1.183 62.408 61.300 -0.125 0.000 1.365 644 I CB -0.037 37.913 38.000 -0.084 0.000 1.064 644 I HN 0.051 nan 8.210 nan 0.000 0.410 645 A N -0.226 122.482 122.820 -0.186 0.000 2.229 645 A HA 0.485 4.806 4.320 0.002 0.000 0.211 645 A C 1.265 178.699 177.584 -0.250 0.000 1.193 645 A CA 0.584 52.520 52.037 -0.168 0.000 0.879 645 A CB -0.335 18.608 19.000 -0.095 0.000 0.911 645 A HN 0.506 nan 8.150 nan 0.000 0.492 646 G N -1.013 107.487 108.800 -0.500 0.000 2.598 646 G HA2 0.064 4.025 3.960 0.002 0.000 0.244 646 G HA3 0.064 4.025 3.960 0.002 0.000 0.244 646 G C 1.211 175.895 174.900 -0.360 0.000 1.302 646 G CA 0.604 45.195 45.100 -0.848 0.000 0.903 646 G HN 1.459 nan 8.290 nan 0.000 0.575 647 A N -0.648 122.121 122.820 -0.085 0.000 1.958 647 A HA -0.047 4.274 4.320 0.002 0.000 0.221 647 A C 2.828 180.631 177.584 0.365 0.000 1.178 647 A CA 3.812 56.051 52.037 0.338 0.000 0.642 647 A CB -1.097 18.087 19.000 0.306 0.000 0.816 647 A HN 2.377 nan 8.150 nan 0.000 0.453 648 S N 0.333 116.192 115.700 0.264 0.000 2.500 648 S HA -0.129 4.342 4.470 0.002 0.000 0.239 648 S C 1.650 176.303 174.600 0.088 0.000 0.989 648 S CA 1.175 59.493 58.200 0.198 0.000 0.951 648 S CB -0.985 62.379 63.200 0.273 0.000 0.759 648 S HN 0.950 nan 8.310 nan 0.000 0.523 649 I N -2.047 118.598 120.570 0.125 0.000 3.251 649 I HA 0.189 4.360 4.170 0.002 0.000 0.277 649 I C 1.806 178.012 176.117 0.148 0.000 1.268 649 I CA 0.631 61.995 61.300 0.108 0.000 1.449 649 I CB -0.259 37.811 38.000 0.116 0.000 1.083 649 I HN 0.180 nan 8.210 nan 0.000 0.464 650 L N 0.959 122.315 121.223 0.223 0.000 2.341 650 L HA 0.195 4.536 4.340 0.002 0.000 0.214 650 L C 1.080 177.928 176.870 -0.037 0.000 1.115 650 L CA 0.141 55.103 54.840 0.205 0.000 0.820 650 L CB -0.028 42.290 42.059 0.431 0.000 0.944 650 L HN 0.215 nan 8.230 nan 0.000 0.452 651 L N 0.509 121.625 121.223 -0.178 0.000 2.490 651 L HA -0.077 4.264 4.340 0.002 0.000 0.274 651 L C 1.411 178.047 176.870 -0.390 0.000 1.201 651 L CA -0.018 54.590 54.840 -0.386 0.000 0.869 651 L CB 0.554 42.340 42.059 -0.454 0.000 1.123 651 L HN 0.032 nan 8.230 nan 0.000 0.484 652 E N 2.154 121.991 120.200 -0.606 0.000 2.299 652 E HA 0.000 4.351 4.350 0.002 0.000 0.193 652 E C -0.592 175.621 176.600 -0.645 0.000 0.998 652 E CA 0.584 56.440 56.400 -0.906 0.000 0.851 652 E CB 0.319 28.889 29.700 -1.884 0.000 0.795 652 E HN 0.400 nan 8.360 nan 0.000 0.492 653 F N -0.089 119.540 119.950 -0.535 0.000 2.635 653 F HA 0.359 4.891 4.527 0.008 0.000 0.314 653 F C -1.555 174.134 175.800 -0.186 0.000 1.119 653 F CA -1.218 56.641 58.000 -0.235 0.000 1.000 653 F CB 1.038 40.036 39.000 -0.004 0.000 1.278 653 F HN -0.322 nan 8.300 nan 0.000 0.446 654 I N 6.409 126.503 120.570 -0.793 0.000 2.325 654 I HA 0.317 4.488 4.170 0.002 0.000 0.291 654 I C -2.293 173.340 176.117 -0.807 0.000 1.019 654 I CA -2.456 58.512 61.300 -0.554 0.000 1.302 654 I CB 0.736 38.531 38.000 -0.342 0.000 1.401 654 I HN 0.396 nan 8.210 nan 0.000 0.485 655 P HA 0.206 nan 4.420 nan 0.000 0.278 655 P C -0.785 176.532 177.300 0.028 0.000 1.238 655 P CA -0.445 62.716 63.100 0.101 0.000 0.794 655 P CB 0.542 32.364 31.700 0.203 0.000 0.955 656 E N 2.434 122.695 120.200 0.102 0.000 1.941 656 E HA 0.190 4.541 4.350 0.002 0.000 0.275 656 E C -0.095 176.541 176.600 0.061 0.000 1.113 656 E CA -0.342 56.092 56.400 0.057 0.000 0.878 656 E CB 0.034 29.786 29.700 0.086 0.000 1.070 656 E HN 0.338 nan 8.360 nan 0.000 0.399 657 L N 2.644 123.878 121.223 0.018 0.000 2.473 657 L HA 0.126 4.467 4.340 0.002 0.000 0.268 657 L C 0.094 176.949 176.870 -0.025 0.000 1.215 657 L CA -0.514 54.311 54.840 -0.025 0.000 0.823 657 L CB 0.148 42.176 42.059 -0.052 0.000 1.099 657 L HN 0.443 nan 8.230 nan 0.000 0.483 658 L N 3.227 124.414 121.223 -0.060 0.000 2.277 658 L HA 0.452 4.794 4.340 0.002 0.000 0.284 658 L C -0.798 176.034 176.870 -0.064 0.000 1.028 658 L CA 0.160 54.985 54.840 -0.024 0.000 0.835 658 L CB 0.700 42.783 42.059 0.039 0.000 1.215 658 L HN 0.307 nan 8.230 nan 0.000 0.425 659 I N 7.236 127.771 120.570 -0.059 0.000 2.502 659 I HA 0.429 4.600 4.170 0.002 0.000 0.276 659 I C -2.071 174.003 176.117 -0.073 0.000 1.057 659 I CA -1.481 59.768 61.300 -0.085 0.000 1.163 659 I CB 0.963 38.905 38.000 -0.096 0.000 1.288 659 I HN 0.500 nan 8.210 nan 0.000 0.479 660 P HA 0.172 nan 4.420 nan 0.000 0.271 660 P C -0.403 176.848 177.300 -0.082 0.000 1.218 660 P CA -0.369 62.694 63.100 -0.061 0.000 0.780 660 P CB 0.660 32.328 31.700 -0.053 0.000 0.901 661 V N 3.911 123.793 119.914 -0.054 0.000 2.415 661 V HA -0.005 4.116 4.120 0.002 0.000 0.267 661 V C 0.528 176.589 176.094 -0.055 0.000 1.042 661 V CA -0.378 61.895 62.300 -0.045 0.000 1.000 661 V CB 0.532 32.348 31.823 -0.011 0.000 1.015 661 V HN 0.292 nan 8.190 nan 0.000 0.478 662 V N 5.554 125.398 119.914 -0.116 0.000 2.584 662 V HA 0.062 4.183 4.120 0.002 0.000 0.303 662 V C 1.456 177.530 176.094 -0.032 0.000 1.035 662 V CA 0.582 62.757 62.300 -0.208 0.000 1.172 662 V CB 0.021 31.456 31.823 -0.646 0.000 0.896 662 V HN 1.032 nan 8.190 nan 0.000 0.486 663 G N 4.130 112.929 108.800 -0.001 0.000 2.474 663 G HA2 0.362 4.324 3.960 0.002 0.000 0.233 663 G HA3 0.362 4.324 3.960 0.002 0.000 0.233 663 G C 0.434 175.479 174.900 0.242 0.000 1.278 663 G CA 0.130 45.291 45.100 0.102 0.000 0.861 663 G HN 1.297 nan 8.290 nan 0.000 0.567 664 A N 1.335 124.290 122.820 0.224 0.000 2.425 664 A HA 0.582 4.903 4.320 0.002 0.000 0.242 664 A C -0.315 177.535 177.584 0.443 0.000 1.077 664 A CA -0.178 52.021 52.037 0.270 0.000 0.781 664 A CB 0.240 19.331 19.000 0.152 0.000 1.020 664 A HN 0.466 nan 8.150 nan 0.000 0.494 665 F N -0.131 119.887 119.950 0.115 0.000 2.377 665 F HA 0.568 5.096 4.527 0.002 0.000 0.328 665 F C 0.241 176.052 175.800 0.018 0.000 1.094 665 F CA -0.965 57.077 58.000 0.070 0.000 1.093 665 F CB 1.345 40.387 39.000 0.071 0.000 1.214 665 F HN 0.288 nan 8.300 nan 0.000 0.518 666 L N 4.705 125.994 121.223 0.110 0.000 2.415 666 L HA 0.369 4.710 4.340 0.002 0.000 0.268 666 L C -1.298 175.551 176.870 -0.034 0.000 0.984 666 L CA -0.741 54.120 54.840 0.035 0.000 0.853 666 L CB 1.383 43.451 42.059 0.016 0.000 1.215 666 L HN 0.285 nan 8.230 nan 0.000 0.419 667 L N 2.165 123.353 121.223 -0.058 0.000 2.350 667 L HA 0.392 4.733 4.340 0.002 0.000 0.275 667 L C 0.296 177.135 176.870 -0.053 0.000 1.099 667 L CA -0.223 54.530 54.840 -0.145 0.000 0.808 667 L CB 0.631 42.392 42.059 -0.497 0.000 1.149 667 L HN 0.394 nan 8.230 nan 0.000 0.442 668 E N 1.084 121.268 120.200 -0.028 0.000 2.194 668 E HA 0.297 4.648 4.350 0.002 0.000 0.284 668 E C -0.501 175.979 176.600 -0.200 0.000 1.035 668 E CA 0.099 56.420 56.400 -0.131 0.000 0.836 668 E CB 1.089 30.709 29.700 -0.133 0.000 1.070 668 E HN 0.514 nan 8.360 nan 0.000 0.401 669 S N 3.779 119.340 115.700 -0.233 0.000 2.586 669 S HA 0.390 4.861 4.470 0.002 0.000 0.274 669 S C -1.255 173.008 174.600 -0.561 0.000 1.281 669 S CA -0.407 57.696 58.200 -0.161 0.000 1.035 669 S CB 0.217 63.361 63.200 -0.093 0.000 0.962 669 S HN 0.482 nan 8.310 nan 0.000 0.512 670 Y N 4.508 124.771 120.300 -0.062 0.000 2.609 670 Y HA 0.326 4.877 4.550 0.002 0.000 0.350 670 Y C 0.379 176.106 175.900 -0.288 0.000 1.050 670 Y CA -1.025 57.003 58.100 -0.119 0.000 1.290 670 Y CB 0.191 38.615 38.460 -0.061 0.000 1.094 670 Y HN 0.610 nan 8.280 nan 0.000 0.583 671 I N -0.271 120.113 120.570 -0.310 0.000 2.821 671 I HA -0.039 4.132 4.170 0.002 0.000 0.294 671 I C 0.211 176.174 176.117 -0.257 0.000 1.210 671 I CA 0.547 61.479 61.300 -0.614 0.000 1.430 671 I CB 0.589 38.394 38.000 -0.325 0.000 1.356 671 I HN 0.632 nan 8.210 nan 0.000 0.563 672 D N 1.852 122.174 120.400 -0.130 0.000 2.554 672 D HA -0.248 4.393 4.640 0.002 0.000 0.178 672 D C 0.285 176.644 176.300 0.099 0.000 1.054 672 D CA 1.536 55.667 54.000 0.218 0.000 1.052 672 D CB -0.988 39.907 40.800 0.159 0.000 1.112 672 D HN 0.827 nan 8.370 nan 0.000 0.448 673 N N 0.831 119.545 118.700 0.023 0.000 2.482 673 N HA 0.065 4.807 4.740 0.002 0.000 0.242 673 N C 1.010 176.536 175.510 0.026 0.000 1.100 673 N CA 0.150 53.204 53.050 0.006 0.000 0.946 673 N CB 0.651 39.118 38.487 -0.033 0.000 1.227 673 N HN 0.252 nan 8.380 nan 0.000 0.508 674 K N 2.571 122.999 120.400 0.048 0.000 2.362 674 K HA -0.065 4.256 4.320 0.002 0.000 0.200 674 K C 0.839 177.464 176.600 0.041 0.000 1.046 674 K CA 0.815 57.143 56.287 0.069 0.000 0.952 674 K CB 0.399 32.943 32.500 0.072 0.000 0.753 674 K HN 0.365 nan 8.250 nan 0.000 0.466 675 N N 0.731 119.424 118.700 -0.011 0.000 2.124 675 N HA -0.057 4.684 4.740 0.002 0.000 0.189 675 N C 1.272 176.740 175.510 -0.070 0.000 1.050 675 N CA 1.254 54.283 53.050 -0.035 0.000 0.848 675 N CB 0.106 38.548 38.487 -0.075 0.000 1.027 675 N HN 0.018 nan 8.380 nan 0.000 0.435 676 K N 0.498 120.760 120.400 -0.229 0.000 2.074 676 K HA -0.131 4.190 4.320 0.002 0.000 0.209 676 K C 1.981 178.524 176.600 -0.096 0.000 1.048 676 K CA 1.149 57.186 56.287 -0.417 0.000 0.926 676 K CB -0.365 31.395 32.500 -1.233 0.000 0.713 676 K HN 0.239 nan 8.250 nan 0.000 0.444 677 I N 1.025 121.654 120.570 0.099 0.000 2.151 677 I HA -0.332 3.839 4.170 0.002 0.000 0.243 677 I C 2.335 178.625 176.117 0.288 0.000 1.080 677 I CA 1.446 62.943 61.300 0.328 0.000 1.339 677 I CB -0.396 37.739 38.000 0.225 0.000 1.039 677 I HN 0.157 nan 8.210 nan 0.000 0.409 678 I N 0.625 121.298 120.570 0.172 0.000 2.163 678 I HA -0.288 3.883 4.170 0.002 0.000 0.240 678 I C 2.557 178.752 176.117 0.129 0.000 1.081 678 I CA 1.460 62.850 61.300 0.150 0.000 1.353 678 I CB -0.480 37.588 38.000 0.114 0.000 1.054 678 I HN 0.164 nan 8.210 nan 0.000 0.407 679 K N 0.522 120.984 120.400 0.105 0.000 2.032 679 K HA -0.230 4.091 4.320 0.002 0.000 0.218 679 K C 2.058 178.722 176.600 0.107 0.000 1.054 679 K CA 2.403 58.750 56.287 0.101 0.000 0.941 679 K CB -0.776 31.798 32.500 0.123 0.000 0.720 679 K HN 0.322 nan 8.250 nan 0.000 0.449 680 T N 2.002 116.644 114.554 0.148 0.000 2.592 680 T HA -0.223 4.128 4.350 0.002 0.000 0.267 680 T C 1.971 176.706 174.700 0.059 0.000 1.060 680 T CA 1.978 64.158 62.100 0.133 0.000 1.167 680 T CB -0.459 68.555 68.868 0.243 0.000 0.863 680 T HN 0.173 nan 8.240 nan 0.000 0.431 681 I N 1.405 122.026 120.570 0.085 0.000 2.069 681 I HA -0.252 3.919 4.170 0.002 0.000 0.237 681 I C 2.521 178.677 176.117 0.065 0.000 1.053 681 I CA 1.675 63.012 61.300 0.061 0.000 1.311 681 I CB -0.657 37.419 38.000 0.128 0.000 1.030 681 I HN 0.254 nan 8.210 nan 0.000 0.398 682 D N 1.003 121.446 120.400 0.072 0.000 2.157 682 D HA -0.224 4.417 4.640 0.002 0.000 0.191 682 D C 1.823 178.166 176.300 0.072 0.000 1.004 682 D CA 1.892 55.930 54.000 0.063 0.000 0.854 682 D CB -0.693 40.145 40.800 0.063 0.000 0.936 682 D HN 0.542 nan 8.370 nan 0.000 0.446 683 N N 0.826 119.566 118.700 0.066 0.000 2.043 683 N HA -0.158 4.583 4.740 0.002 0.000 0.193 683 N C 2.039 177.610 175.510 0.101 0.000 1.037 683 N CA 1.088 54.174 53.050 0.060 0.000 0.851 683 N CB -0.142 38.356 38.487 0.019 0.000 1.027 683 N HN 0.089 nan 8.380 nan 0.000 0.422 684 A N 1.673 124.563 122.820 0.116 0.000 1.958 684 A HA -0.176 4.145 4.320 0.002 0.000 0.221 684 A C 2.178 179.980 177.584 0.363 0.000 1.178 684 A CA 1.259 53.470 52.037 0.290 0.000 0.642 684 A CB -0.838 18.332 19.000 0.282 0.000 0.816 684 A HN 0.194 nan 8.150 nan 0.000 0.453 685 L N -0.516 120.824 121.223 0.196 0.000 1.961 685 L HA -0.211 4.130 4.340 0.002 0.000 0.210 685 L C 3.087 180.066 176.870 0.182 0.000 1.072 685 L CA 2.126 57.058 54.840 0.153 0.000 0.749 685 L CB -1.509 40.599 42.059 0.083 0.000 0.889 685 L HN 0.614 nan 8.230 nan 0.000 0.432 686 T N -1.550 113.094 114.554 0.150 0.000 2.624 686 T HA -0.318 4.033 4.350 0.002 0.000 0.268 686 T C 1.811 176.642 174.700 0.218 0.000 1.041 686 T CA 1.772 63.965 62.100 0.156 0.000 1.159 686 T CB -0.430 68.512 68.868 0.124 0.000 0.863 686 T HN 0.024 nan 8.240 nan 0.000 0.434 687 K N 1.643 122.185 120.400 0.237 0.000 2.113 687 K HA -0.100 4.221 4.320 0.002 0.000 0.208 687 K C 2.499 179.351 176.600 0.419 0.000 1.047 687 K CA 1.289 57.743 56.287 0.279 0.000 0.928 687 K CB -0.500 32.128 32.500 0.214 0.000 0.716 687 K HN 0.341 nan 8.250 nan 0.000 0.446 688 R N 0.764 121.551 120.500 0.479 0.000 2.091 688 R HA -0.131 4.210 4.340 0.002 0.000 0.238 688 R C 1.402 177.966 176.300 0.439 0.000 1.136 688 R CA 1.853 58.240 56.100 0.479 0.000 0.959 688 R CB -0.662 29.877 30.300 0.397 0.000 0.856 688 R HN 0.350 nan 8.270 nan 0.000 0.437 689 N N 1.075 119.957 118.700 0.304 0.000 2.166 689 N HA -0.190 4.552 4.740 0.002 0.000 0.186 689 N C 1.678 177.395 175.510 0.345 0.000 1.019 689 N CA 1.233 54.436 53.050 0.256 0.000 0.856 689 N CB -0.244 38.340 38.487 0.160 0.000 0.993 689 N HN 0.496 nan 8.380 nan 0.000 0.426 690 E N 1.156 121.547 120.200 0.317 0.000 2.153 690 E HA -0.145 4.206 4.350 0.002 0.000 0.194 690 E C 1.266 177.936 176.600 0.118 0.000 0.988 690 E CA 0.885 57.412 56.400 0.212 0.000 0.811 690 E CB 0.253 29.939 29.700 -0.024 0.000 0.746 690 E HN 0.084 nan 8.360 nan 0.000 0.466 691 K N -0.095 120.382 120.400 0.128 0.000 2.148 691 K HA -0.148 4.173 4.320 0.002 0.000 0.204 691 K C 1.686 178.246 176.600 -0.067 0.000 1.050 691 K CA 0.923 57.185 56.287 -0.041 0.000 0.942 691 K CB -0.456 31.904 32.500 -0.233 0.000 0.724 691 K HN 0.305 nan 8.250 nan 0.000 0.446 692 W N 1.374 122.605 121.300 -0.114 0.000 2.378 692 W HA -0.081 4.581 4.660 0.002 0.000 0.313 692 W C 2.842 179.231 176.519 -0.216 0.000 1.197 692 W CA 1.529 58.733 57.345 -0.234 0.000 1.304 692 W CB -0.963 28.410 29.460 -0.144 0.000 1.148 692 W HN 0.038 nan 8.180 nan 0.000 0.494 693 S N 0.147 116.044 115.700 0.329 0.000 2.353 693 S HA -0.238 4.233 4.470 0.002 0.000 0.222 693 S C 1.548 176.386 174.600 0.396 0.000 1.035 693 S CA 2.156 60.660 58.200 0.506 0.000 1.025 693 S CB -0.647 62.893 63.200 0.566 0.000 0.902 693 S HN 0.127 nan 8.310 nan 0.000 0.440 694 D N 0.566 121.088 120.400 0.203 0.000 2.133 694 D HA -0.131 4.510 4.640 0.002 0.000 0.195 694 D C 1.863 178.174 176.300 0.017 0.000 0.997 694 D CA 1.380 55.442 54.000 0.103 0.000 0.840 694 D CB -0.357 40.443 40.800 -0.001 0.000 0.947 694 D HN 0.381 nan 8.370 nan 0.000 0.452 695 M N -0.809 118.736 119.600 -0.092 0.000 2.117 695 M HA -0.145 4.336 4.480 0.002 0.000 0.262 695 M C 1.701 177.936 176.300 -0.109 0.000 1.065 695 M CA 1.518 56.708 55.300 -0.184 0.000 1.114 695 M CB -0.669 31.703 32.600 -0.379 0.000 1.361 695 M HN 0.193 nan 8.290 nan 0.000 0.408 696 Y N -0.793 119.447 120.300 -0.101 0.000 2.145 696 Y HA -0.156 4.395 4.550 0.001 0.000 0.286 696 Y C 2.362 177.933 175.900 -0.549 0.000 1.145 696 Y CA 0.587 58.538 58.100 -0.249 0.000 1.148 696 Y CB -0.811 37.678 38.460 0.049 0.000 0.981 696 Y HN 0.423 nan 8.280 nan 0.000 0.507 697 G N 0.263 108.797 108.800 -0.443 0.000 2.440 697 G HA2 -0.306 3.656 3.960 0.002 0.000 0.218 697 G HA3 -0.306 3.656 3.960 0.002 0.000 0.218 697 G C 1.537 176.365 174.900 -0.120 0.000 1.154 697 G CA 1.041 45.900 45.100 -0.401 0.000 0.767 697 G HN 0.322 nan 8.290 nan 0.000 0.552 698 L N 0.740 121.923 121.223 -0.067 0.000 2.042 698 L HA -0.071 4.270 4.340 0.002 0.000 0.210 698 L C 2.488 179.277 176.870 -0.135 0.000 1.076 698 L CA 1.441 56.247 54.840 -0.057 0.000 0.749 698 L CB -0.360 41.661 42.059 -0.063 0.000 0.893 698 L HN 0.122 nan 8.230 nan 0.000 0.432 699 I N -0.999 119.480 120.570 -0.151 0.000 2.163 699 I HA -0.213 3.958 4.170 0.002 0.000 0.240 699 I C 2.573 178.638 176.117 -0.087 0.000 1.081 699 I CA 1.327 62.528 61.300 -0.166 0.000 1.353 699 I CB -1.298 36.570 38.000 -0.220 0.000 1.054 699 I HN 0.115 nan 8.210 nan 0.000 0.407 700 V N 1.630 121.495 119.914 -0.082 0.000 2.380 700 V HA -0.298 3.823 4.120 0.002 0.000 0.251 700 V C 2.854 179.059 176.094 0.185 0.000 1.063 700 V CA 1.882 64.259 62.300 0.129 0.000 1.055 700 V CB -1.258 30.629 31.823 0.107 0.000 0.657 700 V HN 0.476 nan 8.190 nan 0.000 0.455 701 A N -0.716 122.153 122.820 0.083 0.000 1.902 701 A HA -0.282 4.039 4.320 0.002 0.000 0.217 701 A C 2.188 179.814 177.584 0.070 0.000 1.181 701 A CA 1.952 54.063 52.037 0.123 0.000 0.623 701 A CB -0.429 18.677 19.000 0.176 0.000 0.818 701 A HN 0.651 nan 8.150 nan 0.000 0.443 702 Q N -2.337 117.369 119.800 -0.156 0.000 2.187 702 Q HA -0.164 4.177 4.340 0.002 0.000 0.199 702 Q C 1.880 177.891 176.000 0.017 0.000 0.957 702 Q CA 1.230 56.849 55.803 -0.306 0.000 0.857 702 Q CB -0.221 28.156 28.738 -0.602 0.000 0.929 702 Q HN 0.898 nan 8.270 nan 0.000 0.453 703 W N 1.573 122.826 121.300 -0.078 0.000 2.355 703 W HA -0.125 4.533 4.660 -0.004 0.000 0.309 703 W C 1.412 177.955 176.519 0.039 0.000 1.206 703 W CA 1.148 58.496 57.345 0.005 0.000 1.284 703 W CB -0.349 29.114 29.460 0.005 0.000 1.145 703 W HN -0.002 nan 8.180 nan 0.000 0.502 704 L N 1.001 122.113 121.223 -0.185 0.000 2.201 704 L HA -0.169 4.172 4.340 0.002 0.000 0.212 704 L C 2.451 179.164 176.870 -0.261 0.000 1.105 704 L CA 1.774 56.389 54.840 -0.376 0.000 0.775 704 L CB -0.873 41.078 42.059 -0.180 0.000 0.913 704 L HN 0.168 nan 8.230 nan 0.000 0.440 705 S N -3.302 112.342 115.700 -0.094 0.000 2.539 705 S HA 0.029 4.500 4.470 0.002 0.000 0.221 705 S C 1.357 176.015 174.600 0.096 0.000 0.987 705 S CA 0.297 58.480 58.200 -0.028 0.000 0.929 705 S CB 0.185 63.444 63.200 0.099 0.000 0.832 705 S HN 0.470 nan 8.310 nan 0.000 0.492 706 T N -2.549 112.036 114.554 0.051 0.000 2.992 706 T HA 0.349 4.700 4.350 0.002 0.000 0.255 706 T C 1.218 175.921 174.700 0.006 0.000 0.938 706 T CA 0.496 62.637 62.100 0.068 0.000 0.895 706 T CB -0.001 68.941 68.868 0.123 0.000 1.221 706 T HN 0.121 nan 8.240 nan 0.000 0.512 707 V N 1.673 121.555 119.914 -0.054 0.000 2.735 707 V HA 0.246 4.368 4.120 0.002 0.000 0.234 707 V C 2.487 178.487 176.094 -0.157 0.000 1.121 707 V CA 1.003 63.228 62.300 -0.125 0.000 1.160 707 V CB -0.631 31.253 31.823 0.102 0.000 0.908 707 V HN 0.368 nan 8.190 nan 0.000 0.495 708 N N 1.041 119.570 118.700 -0.283 0.000 2.205 708 N HA -0.192 4.549 4.740 0.002 0.000 0.186 708 N C 1.838 177.336 175.510 -0.020 0.000 1.015 708 N CA 2.146 55.079 53.050 -0.194 0.000 0.862 708 N CB -0.194 37.894 38.487 -0.664 0.000 0.986 708 N HN 0.696 nan 8.380 nan 0.000 0.429 709 T N -2.068 112.455 114.554 -0.051 0.000 2.708 709 T HA -0.179 4.172 4.350 0.002 0.000 0.266 709 T C 1.760 176.576 174.700 0.193 0.000 1.037 709 T CA 1.184 63.333 62.100 0.082 0.000 1.146 709 T CB -0.564 68.384 68.868 0.133 0.000 0.865 709 T HN 0.278 nan 8.240 nan 0.000 0.435 710 Q N 0.172 120.038 119.800 0.111 0.000 2.084 710 Q HA -0.007 4.335 4.340 0.002 0.000 0.202 710 Q C 2.132 178.196 176.000 0.106 0.000 0.978 710 Q CA 1.557 57.457 55.803 0.162 0.000 0.844 710 Q CB -0.407 28.278 28.738 -0.088 0.000 0.898 710 Q HN 0.624 nan 8.270 nan 0.000 0.426 711 F N -0.830 119.183 119.950 0.105 0.000 2.234 711 F HA -0.241 4.282 4.527 -0.006 0.000 0.299 711 F C 2.262 178.106 175.800 0.074 0.000 1.087 711 F CA 0.787 58.829 58.000 0.069 0.000 1.340 711 F CB -0.185 38.840 39.000 0.042 0.000 1.031 711 F HN 0.163 nan 8.300 nan 0.000 0.500 712 Y N 1.124 121.523 120.300 0.165 0.000 2.181 712 Y HA -0.260 4.291 4.550 0.002 0.000 0.288 712 Y C 2.395 178.323 175.900 0.046 0.000 1.146 712 Y CA 2.046 60.196 58.100 0.082 0.000 1.164 712 Y CB -1.038 37.446 38.460 0.040 0.000 0.982 712 Y HN -0.101 nan 8.280 nan 0.000 0.515 713 T N 1.320 115.842 114.554 -0.054 0.000 2.759 713 T HA -0.187 4.164 4.350 0.002 0.000 0.269 713 T C 1.944 176.495 174.700 -0.248 0.000 1.042 713 T CA 1.980 63.920 62.100 -0.268 0.000 1.140 713 T CB -0.400 68.227 68.868 -0.402 0.000 0.864 713 T HN 0.387 nan 8.240 nan 0.000 0.455 714 I N 0.486 121.017 120.570 -0.066 0.000 2.202 714 I HA -0.137 4.034 4.170 0.002 0.000 0.242 714 I C 2.557 178.649 176.117 -0.042 0.000 1.091 714 I CA 1.228 62.523 61.300 -0.008 0.000 1.368 714 I CB -0.242 37.846 38.000 0.147 0.000 1.058 714 I HN 0.148 nan 8.210 nan 0.000 0.410 715 K N 0.384 120.758 120.400 -0.044 0.000 2.063 715 K HA -0.211 4.110 4.320 0.002 0.000 0.208 715 K C 2.090 178.635 176.600 -0.092 0.000 1.048 715 K CA 1.268 57.527 56.287 -0.045 0.000 0.928 715 K CB -0.140 32.340 32.500 -0.033 0.000 0.713 715 K HN 0.224 nan 8.250 nan 0.000 0.442 716 E N 0.073 120.122 120.200 -0.251 0.000 2.077 716 E HA -0.116 4.235 4.350 0.002 0.000 0.193 716 E C 2.176 178.739 176.600 -0.062 0.000 0.989 716 E CA 1.194 57.470 56.400 -0.207 0.000 0.800 716 E CB -0.400 29.066 29.700 -0.391 0.000 0.746 716 E HN 0.453 nan 8.360 nan 0.000 0.452 717 G N 0.763 109.505 108.800 -0.098 0.000 2.442 717 G HA2 -0.241 3.720 3.960 0.002 0.000 0.219 717 G HA3 -0.241 3.720 3.960 0.002 0.000 0.219 717 G C 1.513 176.403 174.900 -0.017 0.000 1.141 717 G CA 0.832 45.901 45.100 -0.052 0.000 0.763 717 G HN 0.141 nan 8.290 nan 0.000 0.554 718 M N -0.675 118.917 119.600 -0.014 0.000 2.175 718 M HA 0.068 4.550 4.480 0.002 0.000 0.264 718 M C 2.255 178.588 176.300 0.054 0.000 1.063 718 M CA 0.490 55.793 55.300 0.004 0.000 1.119 718 M CB -1.143 31.468 32.600 0.017 0.000 1.377 718 M HN 0.405 nan 8.290 nan 0.000 0.415 719 Y N 1.495 121.771 120.300 -0.041 0.000 2.181 719 Y HA -0.200 4.350 4.550 0.000 0.000 0.288 719 Y C 2.222 178.065 175.900 -0.095 0.000 1.146 719 Y CA 1.831 59.907 58.100 -0.041 0.000 1.164 719 Y CB -0.137 38.290 38.460 -0.054 0.000 0.982 719 Y HN 0.155 nan 8.280 nan 0.000 0.515 720 K N -0.108 120.222 120.400 -0.117 0.000 2.057 720 K HA -0.130 4.191 4.320 0.002 0.000 0.206 720 K C 2.376 178.729 176.600 -0.412 0.000 1.050 720 K CA 1.037 57.099 56.287 -0.375 0.000 0.935 720 K CB -0.422 31.950 32.500 -0.214 0.000 0.715 720 K HN 0.386 nan 8.250 nan 0.000 0.439 721 A N 1.801 124.588 122.820 -0.055 0.000 1.865 721 A HA -0.180 4.142 4.320 0.002 0.000 0.217 721 A C 2.181 179.869 177.584 0.174 0.000 1.191 721 A CA 1.440 53.591 52.037 0.189 0.000 0.623 721 A CB -0.831 18.249 19.000 0.133 0.000 0.826 721 A HN 0.167 nan 8.150 nan 0.000 0.444 722 L N -0.465 120.801 121.223 0.071 0.000 2.042 722 L HA -0.226 4.115 4.340 0.002 0.000 0.210 722 L C 2.600 179.459 176.870 -0.019 0.000 1.076 722 L CA 1.578 56.457 54.840 0.065 0.000 0.749 722 L CB -0.654 41.444 42.059 0.066 0.000 0.893 722 L HN 0.549 nan 8.230 nan 0.000 0.432 723 N N -0.466 118.071 118.700 -0.271 0.000 2.120 723 N HA -0.221 4.520 4.740 0.002 0.000 0.188 723 N C 2.035 177.456 175.510 -0.149 0.000 1.024 723 N CA 1.484 54.319 53.050 -0.359 0.000 0.852 723 N CB -0.077 38.026 38.487 -0.641 0.000 1.003 723 N HN 0.356 nan 8.380 nan 0.000 0.424 724 Y N 1.043 121.315 120.300 -0.047 0.000 2.181 724 Y HA -0.173 4.376 4.550 -0.000 0.000 0.288 724 Y C 2.749 178.676 175.900 0.045 0.000 1.146 724 Y CA 0.510 58.618 58.100 0.014 0.000 1.164 724 Y CB 0.060 38.550 38.460 0.051 0.000 0.982 724 Y HN 0.111 nan 8.280 nan 0.000 0.515 725 Q N 0.037 119.944 119.800 0.178 0.000 2.084 725 Q HA -0.174 4.167 4.340 0.002 0.000 0.202 725 Q C 2.564 178.717 176.000 0.255 0.000 0.978 725 Q CA 1.419 57.296 55.803 0.124 0.000 0.844 725 Q CB -0.714 27.940 28.738 -0.139 0.000 0.898 725 Q HN 0.532 nan 8.270 nan 0.000 0.426 726 A N 0.749 123.677 122.820 0.180 0.000 1.898 726 A HA -0.225 4.096 4.320 0.002 0.000 0.216 726 A C 2.131 179.730 177.584 0.025 0.000 1.181 726 A CA 1.567 53.548 52.037 -0.094 0.000 0.620 726 A CB -0.509 18.367 19.000 -0.205 0.000 0.819 726 A HN 0.376 nan 8.150 nan 0.000 0.442 727 Q N -0.536 119.306 119.800 0.070 0.000 2.096 727 Q HA -0.107 4.234 4.340 0.002 0.000 0.204 727 Q C 2.409 178.564 176.000 0.259 0.000 0.982 727 Q CA 1.644 57.546 55.803 0.165 0.000 0.850 727 Q CB -0.425 28.421 28.738 0.179 0.000 0.901 727 Q HN 0.689 nan 8.270 nan 0.000 0.422 728 A N 0.611 123.584 122.820 0.256 0.000 1.877 728 A HA -0.194 4.127 4.320 0.002 0.000 0.216 728 A C 2.032 179.678 177.584 0.102 0.000 1.186 728 A CA 1.376 53.515 52.037 0.170 0.000 0.620 728 A CB -0.745 18.334 19.000 0.130 0.000 0.822 728 A HN 0.382 nan 8.150 nan 0.000 0.443 729 L N 0.042 121.344 121.223 0.132 0.000 2.046 729 L HA -0.155 4.186 4.340 0.002 0.000 0.208 729 L C 2.261 179.211 176.870 0.134 0.000 1.077 729 L CA 2.831 57.741 54.840 0.116 0.000 0.747 729 L CB -0.716 41.400 42.059 0.094 0.000 0.896 729 L HN 0.562 nan 8.230 nan 0.000 0.432 730 E N -0.489 119.806 120.200 0.158 0.000 2.077 730 E HA -0.301 4.050 4.350 0.002 0.000 0.193 730 E C 2.096 178.855 176.600 0.265 0.000 0.989 730 E CA 1.414 57.958 56.400 0.239 0.000 0.800 730 E CB -0.166 29.721 29.700 0.312 0.000 0.746 730 E HN 0.590 nan 8.360 nan 0.000 0.452 731 E N 0.439 120.768 120.200 0.215 0.000 2.058 731 E HA -0.175 4.176 4.350 0.002 0.000 0.194 731 E C 1.917 178.618 176.600 0.168 0.000 0.997 731 E CA 1.750 58.252 56.400 0.170 0.000 0.801 731 E CB -0.334 29.376 29.700 0.016 0.000 0.746 731 E HN 0.451 nan 8.360 nan 0.000 0.450 732 I N 0.278 120.931 120.570 0.139 0.000 2.179 732 I HA -0.264 3.907 4.170 0.002 0.000 0.242 732 I C 2.333 178.680 176.117 0.383 0.000 1.088 732 I CA 1.053 62.476 61.300 0.206 0.000 1.357 732 I CB -0.302 37.807 38.000 0.181 0.000 1.051 732 I HN 0.192 nan 8.210 nan 0.000 0.409 733 I N 0.753 121.580 120.570 0.428 0.000 2.163 733 I HA -0.337 3.834 4.170 0.002 0.000 0.243 733 I C 2.526 179.014 176.117 0.619 0.000 1.085 733 I CA 1.674 63.322 61.300 0.579 0.000 1.347 733 I CB -0.458 37.772 38.000 0.383 0.000 1.044 733 I HN 0.190 nan 8.210 nan 0.000 0.408 734 K N -0.110 120.602 120.400 0.519 0.000 2.063 734 K HA -0.249 4.072 4.320 0.002 0.000 0.208 734 K C 2.204 178.991 176.600 0.312 0.000 1.048 734 K CA 1.786 58.339 56.287 0.442 0.000 0.928 734 K CB -0.425 32.234 32.500 0.265 0.000 0.713 734 K HN 0.226 nan 8.250 nan 0.000 0.442 735 Y N 1.874 122.268 120.300 0.156 0.000 2.097 735 Y HA -0.251 4.301 4.550 0.002 0.000 0.282 735 Y C 2.182 178.056 175.900 -0.043 0.000 1.152 735 Y CA 1.496 59.620 58.100 0.039 0.000 1.136 735 Y CB 0.081 38.542 38.460 0.002 0.000 0.975 735 Y HN -0.071 nan 8.280 nan 0.000 0.498 736 R N -0.659 119.870 120.500 0.048 0.000 2.083 736 R HA -0.246 4.095 4.340 0.002 0.000 0.237 736 R C 2.178 178.084 176.300 -0.657 0.000 1.137 736 R CA 1.945 57.906 56.100 -0.233 0.000 0.951 736 R CB -1.758 28.596 30.300 0.090 0.000 0.851 736 R HN 0.531 nan 8.270 nan 0.000 0.434 737 Y N 2.374 122.391 120.300 -0.471 0.000 2.181 737 Y HA -0.128 4.423 4.550 0.002 0.000 0.288 737 Y C 1.623 177.321 175.900 -0.335 0.000 1.146 737 Y CA 1.431 59.248 58.100 -0.471 0.000 1.164 737 Y CB -0.391 38.133 38.460 0.107 0.000 0.982 737 Y HN 0.040 nan 8.280 nan 0.000 0.515 738 N N 0.369 118.891 118.700 -0.297 0.000 2.571 738 N HA -0.084 4.657 4.740 0.002 0.000 0.189 738 N C 1.443 176.668 175.510 -0.474 0.000 1.154 738 N CA 0.571 53.399 53.050 -0.369 0.000 0.907 738 N CB 0.005 38.371 38.487 -0.203 0.000 0.977 738 N HN 0.397 nan 8.380 nan 0.000 0.449 739 I N 0.156 120.325 120.570 -0.668 0.000 2.716 739 I HA -0.067 4.104 4.170 0.002 0.000 0.259 739 I C 0.704 176.534 176.117 -0.477 0.000 1.172 739 I CA 0.346 61.271 61.300 -0.625 0.000 1.478 739 I CB -0.622 36.933 38.000 -0.741 0.000 1.104 739 I HN 0.006 nan 8.210 nan 0.000 0.439 740 Y N 1.283 121.357 120.300 -0.377 0.000 2.296 740 Y HA 0.095 4.646 4.550 0.002 0.000 0.343 740 Y C 1.621 177.351 175.900 -0.282 0.000 1.292 740 Y CA -0.698 57.209 58.100 -0.322 0.000 1.490 740 Y CB 0.343 38.576 38.460 -0.379 0.000 1.359 740 Y HN 0.004 nan 8.280 nan 0.000 0.599 741 S N -0.184 115.503 115.700 -0.022 0.000 2.645 741 S HA 0.099 4.570 4.470 0.002 0.000 0.266 741 S C 0.742 175.285 174.600 -0.094 0.000 1.258 741 S CA -0.806 57.352 58.200 -0.070 0.000 0.990 741 S CB 1.131 64.300 63.200 -0.052 0.000 0.967 741 S HN 0.664 nan 8.310 nan 0.000 0.556 742 E N 0.656 120.807 120.200 -0.082 0.000 2.110 742 E HA -0.103 4.248 4.350 0.002 0.000 0.193 742 E C 1.744 178.312 176.600 -0.054 0.000 0.988 742 E CA 0.731 57.088 56.400 -0.071 0.000 0.804 742 E CB -0.258 29.413 29.700 -0.047 0.000 0.745 742 E HN 0.555 nan 8.360 nan 0.000 0.458 743 K N 1.437 121.808 120.400 -0.050 0.000 2.002 743 K HA -0.159 4.162 4.320 0.002 0.000 0.209 743 K C 1.876 178.443 176.600 -0.055 0.000 1.048 743 K CA 1.350 57.612 56.287 -0.042 0.000 0.930 743 K CB -0.107 32.369 32.500 -0.040 0.000 0.714 743 K HN 0.192 nan 8.250 nan 0.000 0.438 744 E N 0.294 120.444 120.200 -0.083 0.000 2.072 744 E HA -0.151 4.200 4.350 0.002 0.000 0.191 744 E C 2.138 178.661 176.600 -0.128 0.000 0.985 744 E CA 1.094 57.413 56.400 -0.136 0.000 0.801 744 E CB -0.015 29.561 29.700 -0.206 0.000 0.750 744 E HN 0.273 nan 8.360 nan 0.000 0.452 745 K N 0.605 120.935 120.400 -0.117 0.000 2.063 745 K HA -0.114 4.207 4.320 0.002 0.000 0.208 745 K C 2.361 179.014 176.600 0.088 0.000 1.048 745 K CA 1.333 57.587 56.287 -0.055 0.000 0.928 745 K CB -0.097 32.280 32.500 -0.205 0.000 0.713 745 K HN -0.052 nan 8.250 nan 0.000 0.442 746 S N 1.326 117.046 115.700 0.033 0.000 2.400 746 S HA -0.088 4.383 4.470 0.002 0.000 0.232 746 S C 1.260 175.888 174.600 0.047 0.000 1.025 746 S CA 1.118 59.347 58.200 0.049 0.000 0.993 746 S CB -0.154 63.057 63.200 0.019 0.000 0.808 746 S HN 0.321 nan 8.310 nan 0.000 0.478 747 N N 0.592 119.305 118.700 0.021 0.000 2.270 747 N HA 0.243 4.984 4.740 0.002 0.000 0.198 747 N C -0.300 175.228 175.510 0.030 0.000 1.117 747 N CA 0.180 53.238 53.050 0.013 0.000 0.845 747 N CB 0.353 38.831 38.487 -0.016 0.000 0.980 747 N HN 0.387 nan 8.380 nan 0.000 0.486 748 I N 1.661 122.279 120.570 0.080 0.000 2.297 748 I HA 0.070 4.241 4.170 0.002 0.000 0.291 748 I C 0.168 176.372 176.117 0.146 0.000 1.033 748 I CA -0.647 60.737 61.300 0.140 0.000 1.253 748 I CB 0.679 38.841 38.000 0.270 0.000 1.396 748 I HN -0.175 nan 8.210 nan 0.000 0.476 749 N N 8.458 127.210 118.700 0.086 0.000 2.415 749 N HA 0.306 5.047 4.740 0.002 0.000 0.250 749 N C -1.178 174.335 175.510 0.004 0.000 1.127 749 N CA 0.104 53.179 53.050 0.042 0.000 0.945 749 N CB 0.345 38.842 38.487 0.017 0.000 1.196 749 N HN 0.325 nan 8.380 nan 0.000 0.499 750 I N 2.015 122.568 120.570 -0.028 0.000 2.656 750 I HA 0.210 4.381 4.170 0.002 0.000 0.292 750 I C -0.979 175.049 176.117 -0.148 0.000 1.144 750 I CA -0.680 60.529 61.300 -0.151 0.000 1.038 750 I CB 2.004 39.842 38.000 -0.270 0.000 1.244 750 I HN 0.440 nan 8.210 nan 0.000 0.420 751 D N 5.097 125.385 120.400 -0.187 0.000 2.446 751 D HA 0.322 4.963 4.640 0.002 0.000 0.251 751 D C 0.599 176.809 176.300 -0.150 0.000 1.137 751 D CA -0.396 53.542 54.000 -0.102 0.000 0.890 751 D CB 0.501 41.258 40.800 -0.071 0.000 1.071 751 D HN 0.240 nan 8.370 nan 0.000 0.528 752 F N 1.600 121.473 119.950 -0.129 0.000 2.307 752 F HA -0.131 4.397 4.527 0.001 0.000 0.301 752 F C 2.017 177.699 175.800 -0.198 0.000 1.076 752 F CA 0.818 58.724 58.000 -0.156 0.000 1.383 752 F CB -0.029 38.891 39.000 -0.133 0.000 1.055 752 F HN 0.403 nan 8.300 nan 0.000 0.526 753 N N -0.441 118.261 118.700 0.004 0.000 2.300 753 N HA -0.173 4.568 4.740 0.002 0.000 0.179 753 N C 1.670 177.114 175.510 -0.110 0.000 1.016 753 N CA 1.180 54.187 53.050 -0.071 0.000 0.876 753 N CB -0.387 38.080 38.487 -0.033 0.000 0.979 753 N HN 0.395 nan 8.380 nan 0.000 0.432 754 D N 1.368 121.705 120.400 -0.104 0.000 2.194 754 D HA 0.019 4.660 4.640 0.002 0.000 0.204 754 D C 2.030 178.243 176.300 -0.144 0.000 0.964 754 D CA 0.179 54.114 54.000 -0.107 0.000 0.846 754 D CB 0.345 41.087 40.800 -0.097 0.000 0.962 754 D HN 0.151 nan 8.370 nan 0.000 0.490 755 I N 1.087 121.540 120.570 -0.194 0.000 2.113 755 I HA -0.302 3.869 4.170 0.002 0.000 0.238 755 I C 2.048 178.031 176.117 -0.223 0.000 1.070 755 I CA 1.019 62.184 61.300 -0.224 0.000 1.332 755 I CB -0.408 37.416 38.000 -0.293 0.000 1.044 755 I HN -0.041 nan 8.210 nan 0.000 0.402 756 N N 0.317 118.809 118.700 -0.347 0.000 2.205 756 N HA -0.191 4.550 4.740 0.002 0.000 0.186 756 N C 1.925 177.269 175.510 -0.277 0.000 1.015 756 N CA 1.523 54.173 53.050 -0.666 0.000 0.862 756 N CB -0.435 37.245 38.487 -1.345 0.000 0.986 756 N HN 0.248 nan 8.380 nan 0.000 0.429 757 S N -0.004 115.594 115.700 -0.170 0.000 2.387 757 S HA -0.028 4.443 4.470 0.002 0.000 0.226 757 S C 1.807 176.405 174.600 -0.003 0.000 1.026 757 S CA 1.013 59.184 58.200 -0.048 0.000 0.972 757 S CB 0.025 63.197 63.200 -0.048 0.000 0.814 757 S HN 0.043 nan 8.310 nan 0.000 0.477 758 K N 1.204 121.582 120.400 -0.038 0.000 2.025 758 K HA 0.135 4.456 4.320 0.002 0.000 0.207 758 K C 1.994 178.614 176.600 0.034 0.000 1.049 758 K CA 1.358 57.637 56.287 -0.013 0.000 0.933 758 K CB -0.536 31.931 32.500 -0.054 0.000 0.714 758 K HN 0.362 nan 8.250 nan 0.000 0.438 759 L N 0.890 122.115 121.223 0.004 0.000 1.970 759 L HA -0.248 4.093 4.340 0.002 0.000 0.212 759 L C 2.387 179.354 176.870 0.162 0.000 1.071 759 L CA 1.682 56.526 54.840 0.006 0.000 0.751 759 L CB -0.893 41.118 42.059 -0.080 0.000 0.889 759 L HN 0.415 nan 8.230 nan 0.000 0.432 760 N N 0.400 119.245 118.700 0.243 0.000 2.091 760 N HA -0.297 4.444 4.740 0.002 0.000 0.193 760 N C 1.847 177.463 175.510 0.176 0.000 1.021 760 N CA 2.240 55.436 53.050 0.243 0.000 0.862 760 N CB 0.043 38.709 38.487 0.298 0.000 1.018 760 N HN 0.355 nan 8.380 nan 0.000 0.429 761 E N 0.132 120.416 120.200 0.140 0.000 2.051 761 E HA -0.070 4.281 4.350 0.002 0.000 0.192 761 E C 1.995 178.674 176.600 0.130 0.000 0.991 761 E CA 1.939 58.408 56.400 0.115 0.000 0.799 761 E CB -1.102 28.646 29.700 0.080 0.000 0.748 761 E HN 0.408 nan 8.360 nan 0.000 0.449 762 G N 0.831 109.724 108.800 0.156 0.000 2.450 762 G HA2 -0.230 3.731 3.960 0.002 0.000 0.220 762 G HA3 -0.230 3.731 3.960 0.002 0.000 0.220 762 G C 1.724 176.742 174.900 0.196 0.000 1.130 762 G CA 1.059 46.264 45.100 0.174 0.000 0.760 762 G HN 0.349 nan 8.290 nan 0.000 0.557 763 I N 0.694 121.408 120.570 0.239 0.000 2.286 763 I HA -0.133 4.038 4.170 0.002 0.000 0.245 763 I C 2.439 178.666 176.117 0.182 0.000 1.104 763 I CA 0.708 62.139 61.300 0.220 0.000 1.397 763 I CB -0.252 37.862 38.000 0.191 0.000 1.072 763 I HN 0.088 nan 8.210 nan 0.000 0.417 764 N N 0.821 119.622 118.700 0.168 0.000 2.166 764 N HA -0.200 4.541 4.740 0.002 0.000 0.186 764 N C 1.842 177.428 175.510 0.127 0.000 1.019 764 N CA 1.286 54.428 53.050 0.153 0.000 0.856 764 N CB -0.271 38.297 38.487 0.135 0.000 0.993 764 N HN 0.481 nan 8.380 nan 0.000 0.426 765 Q N 0.452 120.319 119.800 0.113 0.000 2.050 765 Q HA -0.003 4.338 4.340 0.002 0.000 0.202 765 Q C 2.160 178.216 176.000 0.094 0.000 0.980 765 Q CA 1.548 57.404 55.803 0.088 0.000 0.840 765 Q CB -0.167 28.613 28.738 0.071 0.000 0.898 765 Q HN 0.383 nan 8.270 nan 0.000 0.424 766 A N 1.079 123.969 122.820 0.117 0.000 1.908 766 A HA -0.197 4.125 4.320 0.002 0.000 0.218 766 A C 2.008 179.672 177.584 0.133 0.000 1.181 766 A CA 1.214 53.333 52.037 0.137 0.000 0.627 766 A CB -0.592 18.525 19.000 0.195 0.000 0.818 766 A HN 0.272 nan 8.150 nan 0.000 0.445 767 I N 0.630 121.290 120.570 0.151 0.000 2.208 767 I HA -0.220 3.952 4.170 0.002 0.000 0.245 767 I C 1.868 178.055 176.117 0.116 0.000 1.097 767 I CA 1.693 63.085 61.300 0.153 0.000 1.363 767 I CB -1.501 36.616 38.000 0.194 0.000 1.051 767 I HN 0.322 nan 8.210 nan 0.000 0.413 768 D N 0.899 121.361 120.400 0.103 0.000 2.097 768 D HA -0.167 4.474 4.640 0.002 0.000 0.195 768 D C 1.879 178.225 176.300 0.078 0.000 0.989 768 D CA 1.072 55.124 54.000 0.086 0.000 0.827 768 D CB -0.380 40.466 40.800 0.076 0.000 0.966 768 D HN 0.322 nan 8.370 nan 0.000 0.456 769 N N 0.808 119.548 118.700 0.067 0.000 2.084 769 N HA -0.097 4.644 4.740 0.002 0.000 0.190 769 N C 2.181 177.732 175.510 0.068 0.000 1.030 769 N CA 0.487 53.566 53.050 0.049 0.000 0.849 769 N CB -0.381 38.113 38.487 0.012 0.000 1.012 769 N HN 0.281 nan 8.380 nan 0.000 0.423 770 I N 1.426 122.035 120.570 0.065 0.000 2.226 770 I HA -0.252 3.919 4.170 0.002 0.000 0.245 770 I C 1.612 177.802 176.117 0.123 0.000 1.100 770 I CA 0.886 62.239 61.300 0.088 0.000 1.374 770 I CB -0.239 37.802 38.000 0.068 0.000 1.057 770 I HN 0.105 nan 8.210 nan 0.000 0.413 771 N N 0.994 119.753 118.700 0.098 0.000 2.120 771 N HA -0.149 4.592 4.740 0.002 0.000 0.188 771 N C 1.547 177.103 175.510 0.078 0.000 1.024 771 N CA 1.163 54.263 53.050 0.084 0.000 0.852 771 N CB -0.570 37.967 38.487 0.084 0.000 1.003 771 N HN 0.390 nan 8.380 nan 0.000 0.424 772 N N 0.613 119.369 118.700 0.094 0.000 2.142 772 N HA -0.123 4.618 4.740 0.002 0.000 0.186 772 N C 1.665 177.232 175.510 0.095 0.000 1.023 772 N CA 0.498 53.603 53.050 0.091 0.000 0.852 772 N CB -0.567 37.975 38.487 0.092 0.000 0.998 772 N HN 0.190 nan 8.380 nan 0.000 0.424 773 F N 2.432 122.363 119.950 -0.032 0.000 2.095 773 F HA -0.125 4.397 4.527 -0.009 0.000 0.298 773 F C 2.095 177.845 175.800 -0.084 0.000 1.104 773 F CA 1.123 59.084 58.000 -0.065 0.000 1.232 773 F CB -0.276 38.652 39.000 -0.119 0.000 0.987 773 F HN -0.110 nan 8.300 nan 0.000 0.475 774 I N 0.664 121.089 120.570 -0.241 0.000 2.252 774 I HA -0.269 3.902 4.170 0.002 0.000 0.245 774 I C 2.015 177.888 176.117 -0.407 0.000 1.102 774 I CA 1.125 62.170 61.300 -0.425 0.000 1.385 774 I CB -1.563 36.351 38.000 -0.144 0.000 1.064 774 I HN 0.223 nan 8.210 nan 0.000 0.414 775 N N 1.391 120.000 118.700 -0.152 0.000 2.120 775 N HA -0.117 4.624 4.740 0.002 0.000 0.188 775 N C 2.006 177.488 175.510 -0.046 0.000 1.024 775 N CA 1.548 54.570 53.050 -0.046 0.000 0.852 775 N CB -0.656 37.868 38.487 0.061 0.000 1.003 775 N HN 0.404 nan 8.380 nan 0.000 0.424 776 G N 0.607 109.372 108.800 -0.059 0.000 2.440 776 G HA2 -0.251 3.710 3.960 0.002 0.000 0.218 776 G HA3 -0.251 3.710 3.960 0.002 0.000 0.218 776 G C 1.921 176.795 174.900 -0.044 0.000 1.154 776 G CA 1.025 46.146 45.100 0.035 0.000 0.767 776 G HN 0.353 nan 8.290 nan 0.000 0.552 777 C N 0.040 119.141 119.300 -0.332 0.000 2.436 777 C HA -0.027 4.434 4.460 0.002 0.000 0.277 777 C C 3.319 178.142 174.990 -0.278 0.000 1.241 777 C CA 1.302 60.101 59.018 -0.365 0.000 1.721 777 C CB -0.932 26.357 27.740 -0.751 0.000 2.043 777 C HN 0.480 nan 8.230 nan 0.000 0.472 778 S N 0.450 115.844 115.700 -0.510 0.000 2.365 778 S HA -0.170 4.301 4.470 0.002 0.000 0.225 778 S C 1.820 176.661 174.600 0.401 0.000 1.039 778 S CA 2.173 60.454 58.200 0.134 0.000 1.033 778 S CB -0.275 63.090 63.200 0.274 0.000 0.887 778 S HN 0.407 nan 8.310 nan 0.000 0.447 779 V N 1.182 121.192 119.914 0.159 0.000 2.490 779 V HA -0.096 4.026 4.120 0.002 0.000 0.250 779 V C 2.673 178.500 176.094 -0.445 0.000 1.061 779 V CA 1.958 64.152 62.300 -0.177 0.000 1.064 779 V CB -1.045 30.634 31.823 -0.240 0.000 0.670 779 V HN 0.638 nan 8.190 nan 0.000 0.461 780 S N -0.897 114.684 115.700 -0.198 0.000 2.356 780 S HA -0.254 4.217 4.470 0.002 0.000 0.223 780 S C 2.022 176.586 174.600 -0.059 0.000 1.032 780 S CA 1.720 59.877 58.200 -0.072 0.000 1.005 780 S CB -0.455 62.829 63.200 0.140 0.000 0.867 780 S HN 0.647 nan 8.310 nan 0.000 0.449 781 Y N 1.567 121.855 120.300 -0.021 0.000 2.181 781 Y HA -0.076 4.469 4.550 -0.008 0.000 0.288 781 Y C 2.097 177.938 175.900 -0.098 0.000 1.146 781 Y CA 1.790 59.907 58.100 0.028 0.000 1.164 781 Y CB -0.536 38.075 38.460 0.251 0.000 0.982 781 Y HN 0.381 nan 8.280 nan 0.000 0.515 782 L N -0.223 120.918 121.223 -0.138 0.000 1.955 782 L HA -0.276 4.066 4.340 0.002 0.000 0.213 782 L C 2.101 178.708 176.870 -0.439 0.000 1.072 782 L CA 2.166 56.693 54.840 -0.521 0.000 0.755 782 L CB -0.803 40.502 42.059 -1.257 0.000 0.888 782 L HN 0.191 nan 8.230 nan 0.000 0.432 783 M N -0.640 118.727 119.600 -0.387 0.000 2.213 783 M HA -0.165 4.316 4.480 0.002 0.000 0.263 783 M C 2.093 178.320 176.300 -0.122 0.000 1.062 783 M CA 1.698 56.863 55.300 -0.226 0.000 1.105 783 M CB -1.008 31.486 32.600 -0.176 0.000 1.385 783 M HN 0.368 nan 8.290 nan 0.000 0.417 784 K N -0.954 119.314 120.400 -0.219 0.000 2.370 784 K HA 0.074 4.395 4.320 0.002 0.000 0.194 784 K C 1.647 178.086 176.600 -0.269 0.000 1.070 784 K CA 0.125 56.266 56.287 -0.243 0.000 0.998 784 K CB 0.691 32.892 32.500 -0.498 0.000 0.911 784 K HN 0.031 nan 8.250 nan 0.000 0.533 785 K N -0.116 120.015 120.400 -0.449 0.000 2.360 785 K HA 0.278 4.599 4.320 0.002 0.000 0.196 785 K C 1.456 177.782 176.600 -0.455 0.000 1.049 785 K CA 0.524 56.460 56.287 -0.585 0.000 1.049 785 K CB 0.652 32.388 32.500 -1.274 0.000 0.881 785 K HN 0.113 nan 8.250 nan 0.000 0.542 786 M N -0.480 118.899 119.600 -0.368 0.000 3.049 786 M HA 0.145 4.626 4.480 0.002 0.000 0.234 786 M C 1.628 177.799 176.300 -0.215 0.000 1.632 786 M CA 0.186 55.338 55.300 -0.246 0.000 1.259 786 M CB 0.080 32.562 32.600 -0.197 0.000 1.199 786 M HN -0.174 nan 8.290 nan 0.000 0.580 787 I N 1.322 121.731 120.570 -0.268 0.000 2.145 787 I HA -0.202 3.969 4.170 0.002 0.000 0.244 787 I C -0.587 175.475 176.117 -0.092 0.000 1.075 787 I CA 2.175 63.330 61.300 -0.240 0.000 1.332 787 I CB -2.370 35.427 38.000 -0.339 0.000 1.033 787 I HN 0.123 nan 8.210 nan 0.000 0.410 788 P HA -0.137 nan 4.420 nan 0.000 0.218 788 P C 2.146 179.425 177.300 -0.035 0.000 1.148 788 P CA 1.252 64.348 63.100 -0.007 0.000 0.822 788 P CB -0.031 31.690 31.700 0.036 0.000 0.784 789 L N -1.680 119.502 121.223 -0.069 0.000 2.217 789 L HA -0.079 4.263 4.340 0.002 0.000 0.211 789 L C 2.359 179.171 176.870 -0.096 0.000 1.107 789 L CA 1.237 56.031 54.840 -0.077 0.000 0.783 789 L CB -0.997 41.010 42.059 -0.087 0.000 0.919 789 L HN -0.024 nan 8.230 nan 0.000 0.442 790 A N -0.231 122.525 122.820 -0.108 0.000 1.930 790 A HA -0.074 4.247 4.320 0.002 0.000 0.215 790 A C 2.330 179.796 177.584 -0.197 0.000 1.176 790 A CA 1.004 52.949 52.037 -0.152 0.000 0.632 790 A CB -0.581 18.344 19.000 -0.124 0.000 0.819 790 A HN 0.139 nan 8.150 nan 0.000 0.445 791 V N 0.319 120.173 119.914 -0.099 0.000 2.332 791 V HA -0.311 3.810 4.120 0.002 0.000 0.248 791 V C 2.505 178.536 176.094 -0.106 0.000 1.055 791 V CA 2.459 64.711 62.300 -0.081 0.000 1.038 791 V CB -0.714 31.157 31.823 0.081 0.000 0.651 791 V HN 0.806 nan 8.190 nan 0.000 0.450 792 E N 0.335 120.493 120.200 -0.071 0.000 2.021 792 E HA -0.269 4.083 4.350 0.002 0.000 0.200 792 E C 2.293 178.843 176.600 -0.083 0.000 1.015 792 E CA 1.604 57.972 56.400 -0.053 0.000 0.824 792 E CB -0.107 29.567 29.700 -0.043 0.000 0.762 792 E HN 0.450 nan 8.360 nan 0.000 0.454 793 K N 0.215 120.544 120.400 -0.119 0.000 2.152 793 K HA -0.152 4.169 4.320 0.002 0.000 0.206 793 K C 2.332 178.828 176.600 -0.172 0.000 1.048 793 K CA 0.951 57.164 56.287 -0.124 0.000 0.933 793 K CB -0.282 32.134 32.500 -0.141 0.000 0.721 793 K HN 0.327 nan 8.250 nan 0.000 0.447 794 L N 0.633 121.649 121.223 -0.345 0.000 2.141 794 L HA -0.118 4.224 4.340 0.002 0.000 0.209 794 L C 2.363 179.101 176.870 -0.221 0.000 1.094 794 L CA 0.742 55.218 54.840 -0.606 0.000 0.763 794 L CB -0.282 40.878 42.059 -1.499 0.000 0.908 794 L HN 0.100 nan 8.230 nan 0.000 0.437 795 L N -0.691 120.489 121.223 -0.071 0.000 2.179 795 L HA -0.166 4.175 4.340 0.002 0.000 0.208 795 L C 2.234 179.141 176.870 0.061 0.000 1.096 795 L CA 0.823 55.733 54.840 0.117 0.000 0.779 795 L CB -0.485 41.644 42.059 0.117 0.000 0.922 795 L HN 0.277 nan 8.230 nan 0.000 0.443 796 D N 0.402 120.813 120.400 0.018 0.000 2.117 796 D HA -0.276 4.365 4.640 0.002 0.000 0.197 796 D C 2.040 178.348 176.300 0.013 0.000 0.987 796 D CA 1.290 55.295 54.000 0.008 0.000 0.829 796 D CB -0.067 40.732 40.800 -0.001 0.000 0.961 796 D HN 0.223 nan 8.370 nan 0.000 0.460 797 F N 1.334 121.221 119.950 -0.106 0.000 2.069 797 F HA -0.151 4.376 4.527 0.001 0.000 0.298 797 F C 1.820 177.569 175.800 -0.085 0.000 1.113 797 F CA 1.904 59.830 58.000 -0.124 0.000 1.214 797 F CB -0.698 38.187 39.000 -0.191 0.000 0.978 797 F HN -0.146 nan 8.300 nan 0.000 0.474 798 D N 0.260 120.550 120.400 -0.183 0.000 2.126 798 D HA -0.283 4.358 4.640 0.002 0.000 0.190 798 D C 2.160 178.302 176.300 -0.263 0.000 1.001 798 D CA 1.827 55.695 54.000 -0.219 0.000 0.841 798 D CB -0.800 40.075 40.800 0.126 0.000 0.949 798 D HN 0.506 nan 8.370 nan 0.000 0.446 799 N N -0.684 117.932 118.700 -0.140 0.000 2.018 799 N HA -0.176 4.566 4.740 0.002 0.000 0.196 799 N C 1.532 176.945 175.510 -0.163 0.000 1.043 799 N CA 1.864 54.847 53.050 -0.112 0.000 0.856 799 N CB 0.004 38.456 38.487 -0.058 0.000 1.042 799 N HN 0.062 nan 8.380 nan 0.000 0.423 800 T N 1.436 115.877 114.554 -0.189 0.000 2.737 800 T HA -0.172 4.179 4.350 0.002 0.000 0.269 800 T C 1.783 176.328 174.700 -0.259 0.000 1.040 800 T CA 1.014 63.006 62.100 -0.180 0.000 1.142 800 T CB -0.278 68.504 68.868 -0.143 0.000 0.861 800 T HN 0.213 nan 8.240 nan 0.000 0.456 801 L N 1.019 121.955 121.223 -0.479 0.000 2.109 801 L HA 0.149 4.490 4.340 0.002 0.000 0.207 801 L C 2.229 178.941 176.870 -0.263 0.000 1.086 801 L CA 1.736 56.273 54.840 -0.504 0.000 0.760 801 L CB -0.556 40.947 42.059 -0.927 0.000 0.910 801 L HN 0.066 nan 8.230 nan 0.000 0.437 802 K N 0.359 120.629 120.400 -0.217 0.000 1.987 802 K HA -0.287 4.035 4.320 0.002 0.000 0.216 802 K C 2.166 178.726 176.600 -0.066 0.000 1.051 802 K CA 2.503 58.721 56.287 -0.115 0.000 0.942 802 K CB -0.223 32.223 32.500 -0.089 0.000 0.722 802 K HN 0.545 nan 8.250 nan 0.000 0.444 803 K N 0.351 120.715 120.400 -0.059 0.000 2.063 803 K HA -0.217 4.104 4.320 0.002 0.000 0.208 803 K C 2.024 178.622 176.600 -0.004 0.000 1.048 803 K CA 1.757 58.030 56.287 -0.024 0.000 0.928 803 K CB -0.541 31.945 32.500 -0.023 0.000 0.713 803 K HN 0.129 nan 8.250 nan 0.000 0.442 804 N N 1.622 120.306 118.700 -0.026 0.000 2.037 804 N HA -0.192 4.549 4.740 0.002 0.000 0.196 804 N C 1.839 177.379 175.510 0.049 0.000 1.034 804 N CA 1.770 54.822 53.050 0.004 0.000 0.861 804 N CB -0.222 38.242 38.487 -0.038 0.000 1.039 804 N HN 0.323 nan 8.380 nan 0.000 0.427 805 L N 0.578 121.811 121.223 0.018 0.000 2.056 805 L HA -0.128 4.213 4.340 0.002 0.000 0.207 805 L C 2.541 179.492 176.870 0.135 0.000 1.078 805 L CA 0.682 55.560 54.840 0.064 0.000 0.749 805 L CB -0.392 41.678 42.059 0.018 0.000 0.901 805 L HN 0.187 nan 8.230 nan 0.000 0.433 806 L N -0.392 120.876 121.223 0.076 0.000 1.994 806 L HA -0.256 4.086 4.340 0.002 0.000 0.208 806 L C 2.475 179.400 176.870 0.092 0.000 1.071 806 L CA 1.426 56.309 54.840 0.071 0.000 0.745 806 L CB -0.887 41.191 42.059 0.033 0.000 0.892 806 L HN 0.406 nan 8.230 nan 0.000 0.431 807 N N -0.311 118.440 118.700 0.085 0.000 2.258 807 N HA -0.280 4.461 4.740 0.002 0.000 0.187 807 N C 1.835 177.420 175.510 0.126 0.000 1.012 807 N CA 1.559 54.659 53.050 0.084 0.000 0.870 807 N CB -0.038 38.493 38.487 0.072 0.000 0.977 807 N HN 0.391 nan 8.380 nan 0.000 0.434 808 Y N 1.191 121.511 120.300 0.033 0.000 2.138 808 Y HA 0.065 4.616 4.550 0.002 0.000 0.286 808 Y C 2.448 178.382 175.900 0.057 0.000 1.115 808 Y CA 1.254 59.381 58.100 0.046 0.000 1.105 808 Y CB -0.572 37.920 38.460 0.053 0.000 1.004 808 Y HN -0.060 nan 8.280 nan 0.000 0.494 809 I N 0.618 121.273 120.570 0.141 0.000 2.248 809 I HA -0.350 3.821 4.170 0.002 0.000 0.248 809 I C 2.226 178.333 176.117 -0.018 0.000 1.107 809 I CA 1.768 63.088 61.300 0.034 0.000 1.373 809 I CB -0.568 37.491 38.000 0.099 0.000 1.055 809 I HN 0.381 nan 8.210 nan 0.000 0.418 810 D N 1.452 121.858 120.400 0.011 0.000 2.120 810 D HA -0.250 4.391 4.640 0.002 0.000 0.191 810 D C 1.956 178.248 176.300 -0.014 0.000 0.994 810 D CA 1.846 55.850 54.000 0.006 0.000 0.838 810 D CB -0.185 40.628 40.800 0.022 0.000 0.976 810 D HN 0.368 nan 8.370 nan 0.000 0.447 811 E N -0.432 119.751 120.200 -0.030 0.000 2.273 811 E HA -0.149 4.202 4.350 0.002 0.000 0.198 811 E C 1.507 178.111 176.600 0.008 0.000 1.002 811 E CA 0.816 57.203 56.400 -0.023 0.000 0.828 811 E CB -0.236 29.442 29.700 -0.037 0.000 0.747 811 E HN 0.518 nan 8.360 nan 0.000 0.491 812 N N 0.569 119.239 118.700 -0.050 0.000 2.205 812 N HA -0.007 4.734 4.740 0.002 0.000 0.201 812 N C 1.255 176.848 175.510 0.138 0.000 1.128 812 N CA -0.034 53.089 53.050 0.122 0.000 0.867 812 N CB 0.309 38.737 38.487 -0.097 0.000 0.996 812 N HN 0.150 nan 8.380 nan 0.000 0.503 813 K N 1.486 121.902 120.400 0.027 0.000 2.163 813 K HA -0.221 4.100 4.320 0.002 0.000 0.210 813 K C 1.704 178.281 176.600 -0.038 0.000 1.048 813 K CA 1.172 57.462 56.287 0.004 0.000 0.928 813 K CB -0.514 31.980 32.500 -0.011 0.000 0.716 813 K HN 0.134 nan 8.250 nan 0.000 0.459 814 L N 0.369 121.509 121.223 -0.137 0.000 1.933 814 L HA -0.231 4.110 4.340 0.002 0.000 0.220 814 L C 2.248 178.933 176.870 -0.309 0.000 1.078 814 L CA 1.729 56.354 54.840 -0.359 0.000 0.773 814 L CB -0.594 40.982 42.059 -0.804 0.000 0.890 814 L HN 0.242 nan 8.230 nan 0.000 0.434 815 Y N -0.537 119.753 120.300 -0.017 0.000 2.665 815 Y HA -0.025 4.526 4.550 0.002 0.000 0.320 815 Y C 1.723 177.625 175.900 0.003 0.000 1.204 815 Y CA 0.181 58.278 58.100 -0.005 0.000 1.315 815 Y CB -0.813 37.646 38.460 -0.002 0.000 1.033 815 Y HN 0.187 nan 8.280 nan 0.000 0.509 816 L N -1.483 119.809 121.223 0.114 0.000 2.701 816 L HA 0.162 4.503 4.340 0.002 0.000 0.238 816 L C 0.937 177.840 176.870 0.056 0.000 1.106 816 L CA -0.249 54.646 54.840 0.092 0.000 0.898 816 L CB -0.179 41.928 42.059 0.080 0.000 1.188 816 L HN 0.069 nan 8.230 nan 0.000 0.508 817 I N 1.301 121.883 120.570 0.020 0.000 4.908 817 I HA -0.362 3.810 4.170 0.002 0.000 0.038 817 I C 1.608 177.739 176.117 0.022 0.000 0.635 817 I CA 1.842 63.145 61.300 0.005 0.000 0.222 817 I CB -1.573 36.428 38.000 0.002 0.000 0.327 817 I HN 0.238 nan 8.210 nan 0.000 0.154 818 G N -0.170 108.643 108.800 0.023 0.000 3.263 818 G HA2 0.384 4.345 3.960 0.002 0.000 0.246 818 G HA3 0.384 4.345 3.960 0.002 0.000 0.246 818 G C 0.510 175.440 174.900 0.050 0.000 0.982 818 G CA 0.630 45.747 45.100 0.029 0.000 1.897 818 G HN 0.978 nan 8.290 nan 0.000 0.624 819 S N -2.595 113.151 115.700 0.076 0.000 2.290 819 S HA 0.221 4.692 4.470 0.002 0.000 0.266 819 S C 1.897 176.581 174.600 0.140 0.000 0.995 819 S CA 0.885 59.165 58.200 0.132 0.000 1.482 819 S CB -0.316 62.967 63.200 0.137 0.000 1.176 819 S HN 0.670 nan 8.310 nan 0.000 0.599 820 A N 1.409 124.284 122.820 0.091 0.000 2.139 820 A HA -0.061 4.260 4.320 0.002 0.000 0.221 820 A C 1.982 179.606 177.584 0.066 0.000 1.159 820 A CA 2.062 54.143 52.037 0.073 0.000 0.662 820 A CB -0.564 18.465 19.000 0.048 0.000 0.796 820 A HN 0.508 nan 8.150 nan 0.000 0.463 821 E N -1.550 118.700 120.200 0.083 0.000 2.099 821 E HA -0.032 4.319 4.350 0.002 0.000 0.191 821 E C 1.629 178.285 176.600 0.093 0.000 0.962 821 E CA 0.792 57.237 56.400 0.075 0.000 0.826 821 E CB -0.560 29.184 29.700 0.073 0.000 0.788 821 E HN 0.608 nan 8.360 nan 0.000 0.461 822 Y N 1.580 121.895 120.300 0.026 0.000 2.446 822 Y HA -0.160 4.392 4.550 0.002 0.000 0.287 822 Y C 1.156 177.075 175.900 0.033 0.000 1.159 822 Y CA 1.780 59.896 58.100 0.026 0.000 1.297 822 Y CB 0.103 38.578 38.460 0.025 0.000 0.974 822 Y HN 0.123 nan 8.280 nan 0.000 0.557 823 E N -1.338 118.755 120.200 -0.178 0.000 2.447 823 E HA -0.010 4.341 4.350 0.002 0.000 0.204 823 E C 1.736 178.274 176.600 -0.103 0.000 0.977 823 E CA -0.003 56.259 56.400 -0.231 0.000 0.950 823 E CB 0.217 29.865 29.700 -0.087 0.000 0.975 823 E HN 0.089 nan 8.360 nan 0.000 0.496 824 K N 1.350 121.724 120.400 -0.043 0.000 2.026 824 K HA -0.127 4.194 4.320 0.002 0.000 0.208 824 K C 2.203 178.783 176.600 -0.032 0.000 1.048 824 K CA 1.890 58.169 56.287 -0.013 0.000 0.929 824 K CB -0.241 32.264 32.500 0.008 0.000 0.713 824 K HN 0.107 nan 8.250 nan 0.000 0.439 825 S N 0.222 115.893 115.700 -0.048 0.000 2.345 825 S HA -0.172 4.300 4.470 0.002 0.000 0.220 825 S C 2.037 176.590 174.600 -0.077 0.000 1.031 825 S CA 1.286 59.458 58.200 -0.046 0.000 0.996 825 S CB -0.504 62.679 63.200 -0.028 0.000 0.882 825 S HN 0.348 nan 8.310 nan 0.000 0.445 826 K N 0.896 121.203 120.400 -0.155 0.000 2.127 826 K HA -0.184 4.137 4.320 0.002 0.000 0.212 826 K C 1.908 178.452 176.600 -0.093 0.000 1.050 826 K CA 2.016 58.197 56.287 -0.177 0.000 0.929 826 K CB -0.567 31.740 32.500 -0.321 0.000 0.715 826 K HN 0.364 nan 8.250 nan 0.000 0.457 827 V N 1.017 120.890 119.914 -0.068 0.000 2.244 827 V HA -0.234 3.887 4.120 0.002 0.000 0.244 827 V C 1.889 177.962 176.094 -0.034 0.000 1.042 827 V CA 2.200 64.479 62.300 -0.036 0.000 1.006 827 V CB -0.752 31.061 31.823 -0.015 0.000 0.641 827 V HN 0.416 nan 8.190 nan 0.000 0.446 828 N N 0.841 119.523 118.700 -0.031 0.000 2.061 828 N HA -0.225 4.516 4.740 0.002 0.000 0.193 828 N C 1.730 177.225 175.510 -0.026 0.000 1.030 828 N CA 1.843 54.877 53.050 -0.026 0.000 0.856 828 N CB -0.383 38.092 38.487 -0.020 0.000 1.023 828 N HN 0.663 nan 8.380 nan 0.000 0.424 829 K N -1.381 119.002 120.400 -0.029 0.000 2.442 829 K HA -0.175 4.146 4.320 0.002 0.000 0.198 829 K C 2.139 178.722 176.600 -0.029 0.000 1.044 829 K CA 1.531 57.804 56.287 -0.024 0.000 0.948 829 K CB -0.628 31.859 32.500 -0.021 0.000 0.762 829 K HN 0.464 nan 8.250 nan 0.000 0.472 830 Y N 1.792 122.071 120.300 -0.035 0.000 2.222 830 Y HA 0.220 4.771 4.550 0.002 0.000 0.290 830 Y C 2.154 178.023 175.900 -0.052 0.000 1.123 830 Y CA 0.317 58.394 58.100 -0.040 0.000 1.120 830 Y CB -0.533 37.909 38.460 -0.030 0.000 1.060 830 Y HN -0.021 nan 8.280 nan 0.000 0.508 831 L N 0.761 121.959 121.223 -0.041 0.000 2.642 831 L HA -0.112 4.229 4.340 0.002 0.000 0.236 831 L C 2.157 179.008 176.870 -0.032 0.000 1.169 831 L CA 1.372 56.190 54.840 -0.037 0.000 0.851 831 L CB -0.299 41.739 42.059 -0.036 0.000 0.968 831 L HN 0.397 nan 8.230 nan 0.000 0.453 832 K N 0.971 121.350 120.400 -0.036 0.000 2.005 832 K HA -0.042 4.279 4.320 0.002 0.000 0.214 832 K C 0.945 177.523 176.600 -0.037 0.000 1.030 832 K CA 1.217 57.489 56.287 -0.025 0.000 0.955 832 K CB -0.597 31.891 32.500 -0.019 0.000 0.767 832 K HN 0.179 nan 8.250 nan 0.000 0.446 833 T N 1.896 116.422 114.554 -0.046 0.000 2.754 833 T HA 0.223 4.575 4.350 0.002 0.000 0.282 833 T C 1.016 175.629 174.700 -0.144 0.000 0.923 833 T CA -0.361 61.706 62.100 -0.056 0.000 1.164 833 T CB -1.133 67.718 68.868 -0.030 0.000 0.873 833 T HN 0.316 nan 8.240 nan 0.000 0.537 834 I N 1.074 121.538 120.570 -0.176 0.000 3.433 834 I HA 0.406 4.577 4.170 0.002 0.000 0.265 834 I C 0.587 176.461 176.117 -0.405 0.000 1.186 834 I CA -1.314 59.713 61.300 -0.455 0.000 1.008 834 I CB 0.559 38.367 38.000 -0.321 0.000 1.552 834 I HN 0.564 nan 8.210 nan 0.000 0.790 835 M N 3.623 122.835 119.600 -0.646 0.000 2.113 835 M HA 0.451 4.932 4.480 0.002 0.000 0.352 835 M C -2.510 173.970 176.300 0.301 0.000 1.170 835 M CA -1.968 53.262 55.300 -0.117 0.000 1.053 835 M CB 1.122 33.696 32.600 -0.045 0.000 1.601 835 M HN 0.442 nan 8.290 nan 0.000 0.459 836 P HA 0.102 nan 4.420 nan 0.000 0.281 836 P C -1.034 176.449 177.300 0.303 0.000 1.252 836 P CA -0.240 63.026 63.100 0.278 0.000 0.778 836 P CB 0.409 32.212 31.700 0.171 0.000 0.895 837 F N 3.575 123.535 119.950 0.016 0.000 2.538 837 F HA 0.241 4.770 4.527 0.003 0.000 0.371 837 F C 0.098 175.910 175.800 0.020 0.000 1.087 837 F CA 0.072 57.890 58.000 -0.304 0.000 1.250 837 F CB 0.240 38.869 39.000 -0.619 0.000 1.110 837 F HN 0.218 nan 8.300 nan 0.000 0.570 838 D N 6.797 126.730 120.400 -0.777 0.000 2.476 838 D HA 0.082 4.723 4.640 0.002 0.000 0.251 838 D C 0.647 176.394 176.300 -0.922 0.000 1.291 838 D CA -0.424 53.205 54.000 -0.619 0.000 0.939 838 D CB 1.324 42.005 40.800 -0.198 0.000 1.221 838 D HN 0.654 nan 8.370 nan 0.000 0.567 839 L N 4.125 124.472 121.223 -1.461 0.000 2.013 839 L HA -0.213 4.128 4.340 0.002 0.000 0.212 839 L C 2.244 178.908 176.870 -0.345 0.000 1.073 839 L CA 2.668 56.929 54.840 -0.965 0.000 0.753 839 L CB -0.846 40.379 42.059 -1.390 0.000 0.890 839 L HN 0.528 nan 8.230 nan 0.000 0.432 840 S N -1.128 114.387 115.700 -0.309 0.000 2.488 840 S HA -0.165 4.307 4.470 0.002 0.000 0.246 840 S C 1.888 176.377 174.600 -0.186 0.000 0.992 840 S CA 1.134 59.242 58.200 -0.154 0.000 0.963 840 S CB -0.906 62.240 63.200 -0.090 0.000 0.754 840 S HN 0.432 nan 8.310 nan 0.000 0.519 841 I N 0.228 120.617 120.570 -0.303 0.000 2.546 841 I HA 0.005 4.176 4.170 0.002 0.000 0.255 841 I C 1.190 176.915 176.117 -0.654 0.000 1.163 841 I CA 0.937 61.925 61.300 -0.520 0.000 1.457 841 I CB -1.262 36.280 38.000 -0.764 0.000 1.092 841 I HN 0.355 nan 8.210 nan 0.000 0.434 842 Y N -0.206 120.082 120.300 -0.020 0.000 2.507 842 Y HA 0.306 4.858 4.550 0.003 0.000 0.254 842 Y C 0.919 176.835 175.900 0.026 0.000 1.171 842 Y CA -0.175 57.948 58.100 0.039 0.000 1.238 842 Y CB 0.445 38.970 38.460 0.109 0.000 1.148 842 Y HN -0.020 nan 8.280 nan 0.000 0.525 843 T N 0.140 114.730 114.554 0.060 0.000 2.831 843 T HA 0.241 4.592 4.350 0.002 0.000 0.333 843 T C -1.132 173.571 174.700 0.005 0.000 1.684 843 T CA -0.748 61.384 62.100 0.053 0.000 1.049 843 T CB 0.460 69.392 68.868 0.106 0.000 1.518 843 T HN 0.289 nan 8.240 nan 0.000 0.491 844 N N 0.900 119.606 118.700 0.010 0.000 2.299 844 N HA 0.204 4.945 4.740 0.002 0.000 0.246 844 N C -0.601 174.923 175.510 0.024 0.000 1.254 844 N CA -0.625 52.425 53.050 0.001 0.000 0.879 844 N CB 0.581 39.056 38.487 -0.019 0.000 1.214 844 N HN 0.536 nan 8.380 nan 0.000 0.510 845 D N 0.762 121.190 120.400 0.046 0.000 2.346 845 D HA 0.026 4.667 4.640 0.002 0.000 0.260 845 D C 0.459 176.796 176.300 0.062 0.000 1.252 845 D CA 0.313 54.348 54.000 0.059 0.000 0.895 845 D CB 1.083 41.930 40.800 0.078 0.000 1.097 845 D HN 0.101 nan 8.370 nan 0.000 0.489 846 T N 4.801 119.387 114.554 0.054 0.000 2.653 846 T HA -0.179 4.172 4.350 0.002 0.000 0.268 846 T C 1.946 176.693 174.700 0.078 0.000 1.035 846 T CA 0.791 62.926 62.100 0.059 0.000 1.154 846 T CB 0.060 68.958 68.868 0.050 0.000 0.862 846 T HN 0.509 nan 8.240 nan 0.000 0.441 847 I N 1.004 121.622 120.570 0.080 0.000 2.163 847 I HA -0.106 4.065 4.170 0.002 0.000 0.243 847 I C 2.419 178.611 176.117 0.125 0.000 1.085 847 I CA 1.311 62.667 61.300 0.094 0.000 1.347 847 I CB -1.538 36.512 38.000 0.084 0.000 1.044 847 I HN 0.285 nan 8.210 nan 0.000 0.408 848 L N 0.011 121.312 121.223 0.130 0.000 1.994 848 L HA -0.209 4.132 4.340 0.002 0.000 0.208 848 L C 2.626 179.612 176.870 0.193 0.000 1.071 848 L CA 1.024 55.973 54.840 0.182 0.000 0.745 848 L CB -0.551 41.614 42.059 0.175 0.000 0.892 848 L HN 0.133 nan 8.230 nan 0.000 0.431 849 I N 0.342 120.996 120.570 0.139 0.000 2.151 849 I HA -0.300 3.871 4.170 0.002 0.000 0.243 849 I C 2.502 178.741 176.117 0.203 0.000 1.080 849 I CA 1.729 63.117 61.300 0.147 0.000 1.339 849 I CB -1.215 36.840 38.000 0.093 0.000 1.039 849 I HN 0.400 nan 8.210 nan 0.000 0.409 850 E N 0.182 120.477 120.200 0.158 0.000 2.110 850 E HA -0.205 4.146 4.350 0.002 0.000 0.193 850 E C 2.311 179.017 176.600 0.176 0.000 0.988 850 E CA 1.064 57.551 56.400 0.145 0.000 0.804 850 E CB -0.194 29.572 29.700 0.109 0.000 0.745 850 E HN 0.447 nan 8.360 nan 0.000 0.458 851 M N 0.065 119.789 119.600 0.207 0.000 2.080 851 M HA -0.188 4.294 4.480 0.002 0.000 0.260 851 M C 2.158 178.631 176.300 0.288 0.000 1.068 851 M CA 1.418 56.857 55.300 0.231 0.000 1.109 851 M CB -0.257 32.502 32.600 0.265 0.000 1.342 851 M HN 0.089 nan 8.290 nan 0.000 0.405 852 F N 1.627 121.650 119.950 0.121 0.000 2.051 852 F HA -0.260 4.267 4.527 0.000 0.000 0.296 852 F C 2.219 178.092 175.800 0.122 0.000 1.122 852 F CA 1.741 59.797 58.000 0.093 0.000 1.201 852 F CB -0.652 38.373 39.000 0.043 0.000 0.978 852 F HN 0.193 nan 8.300 nan 0.000 0.472 853 N N 0.623 119.427 118.700 0.173 0.000 2.149 853 N HA -0.227 4.514 4.740 0.002 0.000 0.188 853 N C 1.902 177.429 175.510 0.029 0.000 1.019 853 N CA 1.431 54.507 53.050 0.044 0.000 0.857 853 N CB -0.592 37.946 38.487 0.085 0.000 0.997 853 N HN 0.383 nan 8.380 nan 0.000 0.426 854 K N 0.158 120.609 120.400 0.085 0.000 2.002 854 K HA -0.194 4.127 4.320 0.002 0.000 0.209 854 K C 2.164 178.802 176.600 0.063 0.000 1.048 854 K CA 1.029 57.360 56.287 0.073 0.000 0.930 854 K CB -0.322 32.239 32.500 0.102 0.000 0.714 854 K HN 0.114 nan 8.250 nan 0.000 0.438 855 Y N 2.004 122.282 120.300 -0.037 0.000 2.053 855 Y HA -0.269 4.280 4.550 -0.001 0.000 0.277 855 Y C 1.770 177.602 175.900 -0.112 0.000 1.159 855 Y CA 2.140 60.202 58.100 -0.063 0.000 1.125 855 Y CB -0.279 38.139 38.460 -0.069 0.000 0.969 855 Y HN 0.228 nan 8.280 nan 0.000 0.492 856 N N -0.137 118.556 118.700 -0.013 0.000 2.519 856 N HA -0.119 4.622 4.740 0.002 0.000 0.186 856 N C 1.582 177.033 175.510 -0.099 0.000 1.062 856 N CA 1.284 54.267 53.050 -0.112 0.000 0.910 856 N CB -0.403 37.937 38.487 -0.245 0.000 0.958 856 N HN 0.512 nan 8.380 nan 0.000 0.445 857 S N -0.791 114.862 115.700 -0.078 0.000 2.556 857 S HA 0.160 4.631 4.470 0.002 0.000 0.216 857 S C 0.366 174.927 174.600 -0.065 0.000 0.970 857 S CA -0.307 57.861 58.200 -0.053 0.000 0.912 857 S CB 0.154 63.339 63.200 -0.026 0.000 0.790 857 S HN 0.109 nan 8.310 nan 0.000 0.504 858 E N 0.938 121.069 120.200 -0.115 0.000 2.055 858 E HA 0.340 4.691 4.350 0.002 0.000 0.274 858 E C 0.426 176.960 176.600 -0.109 0.000 0.949 858 E CA -0.386 55.943 56.400 -0.117 0.000 0.775 858 E CB 1.101 30.702 29.700 -0.164 0.000 1.097 858 E HN 0.151 nan 8.360 nan 0.000 0.404 859 I N 4.178 124.724 120.570 -0.038 0.000 2.236 859 I HA -0.329 3.843 4.170 0.002 0.000 0.249 859 I C 1.470 177.648 176.117 0.102 0.000 1.102 859 I CA 1.644 62.964 61.300 0.033 0.000 1.365 859 I CB 0.005 38.021 38.000 0.026 0.000 1.051 859 I HN 0.663 nan 8.210 nan 0.000 0.420 860 L N 0.290 121.540 121.223 0.044 0.000 2.261 860 L HA -0.217 4.124 4.340 0.002 0.000 0.216 860 L C 1.679 178.498 176.870 -0.085 0.000 1.114 860 L CA 0.934 55.788 54.840 0.022 0.000 0.777 860 L CB -0.963 41.088 42.059 -0.014 0.000 0.910 860 L HN 0.359 nan 8.230 nan 0.000 0.440 861 N N -0.132 118.468 118.700 -0.167 0.000 2.467 861 N HA -0.058 4.683 4.740 0.002 0.000 0.184 861 N C 1.003 176.472 175.510 -0.069 0.000 1.106 861 N CA 0.469 53.366 53.050 -0.255 0.000 0.892 861 N CB -0.065 37.984 38.487 -0.729 0.000 0.969 861 N HN 0.397 nan 8.380 nan 0.000 0.454 862 N N 0.628 119.332 118.700 0.007 0.000 2.383 862 N HA 0.111 4.852 4.740 0.002 0.000 0.192 862 N C -0.038 175.472 175.510 0.001 0.000 1.141 862 N CA 0.051 53.157 53.050 0.092 0.000 0.851 862 N CB 0.931 39.539 38.487 0.201 0.000 0.976 862 N HN 0.244 nan 8.380 nan 0.000 0.465 863 I N 2.329 122.796 120.570 -0.172 0.000 2.363 863 I HA 0.071 4.242 4.170 0.002 0.000 0.292 863 I C 1.599 177.667 176.117 -0.082 0.000 1.075 863 I CA -0.071 60.983 61.300 -0.410 0.000 1.333 863 I CB 0.619 38.323 38.000 -0.495 0.000 1.415 863 I HN 0.028 nan 8.210 nan 0.000 0.502 864 I N 4.677 125.191 120.570 -0.094 0.000 3.956 864 I HA 0.363 4.534 4.170 0.002 0.000 0.333 864 I C -0.305 175.834 176.117 0.036 0.000 1.302 864 I CA 0.120 61.417 61.300 -0.005 0.000 1.122 864 I CB 0.585 38.391 38.000 -0.323 0.000 1.013 864 I HN 0.393 nan 8.210 nan 0.000 0.405 865 L N 1.558 122.787 121.223 0.010 0.000 2.676 865 L HA 0.539 4.880 4.340 0.002 0.000 0.262 865 L C -1.986 174.928 176.870 0.074 0.000 0.932 865 L CA -0.193 54.706 54.840 0.097 0.000 0.932 865 L CB 1.864 44.049 42.059 0.210 0.000 1.355 865 L HN 0.062 nan 8.230 nan 0.000 0.421 866 N N 5.139 123.895 118.700 0.094 0.000 2.607 866 N HA 0.412 5.153 4.740 0.002 0.000 0.271 866 N C -1.625 173.975 175.510 0.150 0.000 1.142 866 N CA -0.273 52.834 53.050 0.094 0.000 0.810 866 N CB 1.358 39.842 38.487 -0.005 0.000 1.306 866 N HN 0.631 nan 8.380 nan 0.000 0.536 867 L N 3.366 124.743 121.223 0.256 0.000 2.315 867 L HA 0.419 4.760 4.340 0.002 0.000 0.283 867 L C 0.508 177.526 176.870 0.246 0.000 1.089 867 L CA -0.242 54.726 54.840 0.214 0.000 0.833 867 L CB 0.310 42.496 42.059 0.211 0.000 1.170 867 L HN 0.141 nan 8.230 nan 0.000 0.442 868 R N 2.467 123.072 120.500 0.175 0.000 2.837 868 R HA 0.332 4.673 4.340 0.002 0.000 0.271 868 R C -1.100 175.319 176.300 0.198 0.000 0.993 868 R CA -1.036 55.199 56.100 0.224 0.000 0.931 868 R CB 1.832 32.234 30.300 0.170 0.000 1.206 868 R HN 0.365 nan 8.270 nan 0.000 0.474 869 Y N 1.537 121.914 120.300 0.129 0.000 2.319 869 Y HA 0.312 4.866 4.550 0.006 0.000 0.328 869 Y C -0.558 175.378 175.900 0.060 0.000 1.133 869 Y CA 0.371 58.525 58.100 0.090 0.000 1.265 869 Y CB 0.802 39.328 38.460 0.110 0.000 1.218 869 Y HN 0.147 nan 8.280 nan 0.000 0.508 870 K N 5.342 125.395 120.400 -0.578 0.000 2.589 870 K HA 0.108 4.429 4.320 0.002 0.000 0.253 870 K C -1.498 174.792 176.600 -0.517 0.000 0.974 870 K CA -0.602 55.462 56.287 -0.373 0.000 0.835 870 K CB 1.462 33.871 32.500 -0.150 0.000 1.272 870 K HN 0.909 nan 8.250 nan 0.000 0.444 871 D N 2.502 122.686 120.400 -0.359 0.000 2.803 871 D HA -0.224 4.417 4.640 0.002 0.000 0.233 871 D C 0.030 176.142 176.300 -0.313 0.000 1.182 871 D CA 0.664 54.532 54.000 -0.221 0.000 0.726 871 D CB -0.539 40.187 40.800 -0.124 0.000 0.987 871 D HN 0.768 nan 8.370 nan 0.000 0.412 872 N N 0.886 119.298 118.700 -0.479 0.000 2.714 872 N HA -0.258 4.483 4.740 0.002 0.000 0.253 872 N C -0.902 174.445 175.510 -0.272 0.000 1.024 872 N CA 1.601 54.520 53.050 -0.218 0.000 0.726 872 N CB -0.984 37.521 38.487 0.030 0.000 0.908 872 N HN 0.814 nan 8.380 nan 0.000 0.542 873 N N -0.355 118.033 118.700 -0.521 0.000 3.171 873 N HA 0.272 5.013 4.740 0.002 0.000 0.239 873 N C -1.445 173.915 175.510 -0.250 0.000 1.275 873 N CA -0.602 52.287 53.050 -0.268 0.000 0.920 873 N CB 0.878 39.238 38.487 -0.211 0.000 1.554 873 N HN 0.043 nan 8.380 nan 0.000 0.504 874 L N 3.920 125.060 121.223 -0.138 0.000 2.282 874 L HA 0.618 4.959 4.340 0.002 0.000 0.288 874 L C -0.169 176.641 176.870 -0.100 0.000 1.033 874 L CA -0.598 54.187 54.840 -0.092 0.000 0.807 874 L CB 0.921 42.894 42.059 -0.144 0.000 1.209 874 L HN 0.460 nan 8.230 nan 0.000 0.423 875 I N -1.081 119.454 120.570 -0.057 0.000 3.042 875 I HA 0.559 4.730 4.170 0.002 0.000 0.310 875 I C -1.117 174.997 176.117 -0.005 0.000 1.117 875 I CA -0.971 60.300 61.300 -0.048 0.000 1.003 875 I CB 2.322 40.286 38.000 -0.060 0.000 1.228 875 I HN 0.370 nan 8.210 nan 0.000 0.443 876 D N 3.449 123.849 120.400 0.000 0.000 2.280 876 D HA 0.393 5.034 4.640 0.002 0.000 0.243 876 D C -0.245 176.055 176.300 -0.000 0.000 1.129 876 D CA -0.275 53.743 54.000 0.029 0.000 0.848 876 D CB 1.272 42.103 40.800 0.051 0.000 1.107 876 D HN 0.647 nan 8.370 nan 0.000 0.471 877 L N 3.319 124.540 121.223 -0.004 0.000 3.017 877 L HA 0.123 4.464 4.340 0.002 0.000 0.255 877 L C 1.765 178.590 176.870 -0.075 0.000 1.247 877 L CA -0.171 54.639 54.840 -0.050 0.000 1.038 877 L CB -0.029 42.001 42.059 -0.048 0.000 1.380 877 L HN 0.451 nan 8.230 nan 0.000 0.548 878 S N -0.818 114.856 115.700 -0.042 0.000 2.428 878 S HA -0.013 4.458 4.470 0.002 0.000 0.230 878 S C 1.692 176.181 174.600 -0.186 0.000 1.014 878 S CA 0.931 59.097 58.200 -0.057 0.000 0.957 878 S CB 0.132 63.385 63.200 0.087 0.000 0.784 878 S HN 0.576 nan 8.310 nan 0.000 0.499 879 G N -0.150 108.543 108.800 -0.179 0.000 2.195 879 G HA2 -0.269 3.692 3.960 0.002 0.000 0.224 879 G HA3 -0.269 3.692 3.960 0.002 0.000 0.224 879 G C 0.407 175.121 174.900 -0.311 0.000 0.990 879 G CA 0.226 45.155 45.100 -0.284 0.000 0.639 879 G HN 0.590 nan 8.290 nan 0.000 0.514 880 Y N 0.944 121.201 120.300 -0.071 0.000 2.490 880 Y HA 0.369 4.923 4.550 0.007 0.000 0.281 880 Y C 2.138 178.005 175.900 -0.055 0.000 1.174 880 Y CA 0.676 58.736 58.100 -0.066 0.000 1.295 880 Y CB 0.560 38.984 38.460 -0.060 0.000 1.062 880 Y HN 0.877 nan 8.280 nan 0.000 0.522 881 G N 0.948 109.784 108.800 0.061 0.000 2.249 881 G HA2 -0.268 3.693 3.960 0.002 0.000 0.273 881 G HA3 -0.268 3.693 3.960 0.002 0.000 0.273 881 G C 0.329 175.252 174.900 0.038 0.000 1.036 881 G CA -0.011 45.105 45.100 0.027 0.000 0.824 881 G HN 0.613 nan 8.290 nan 0.000 0.504 882 A N -0.297 122.560 122.820 0.061 0.000 2.531 882 A HA 0.497 4.818 4.320 0.002 0.000 0.236 882 A C 0.812 178.415 177.584 0.031 0.000 1.062 882 A CA 0.409 52.480 52.037 0.057 0.000 0.760 882 A CB 0.420 19.471 19.000 0.085 0.000 0.995 882 A HN 0.291 nan 8.150 nan 0.000 0.501 883 K N 1.376 121.791 120.400 0.025 0.000 2.234 883 K HA 0.466 4.787 4.320 0.002 0.000 0.282 883 K C -0.909 175.691 176.600 -0.000 0.000 1.039 883 K CA -0.268 56.021 56.287 0.004 0.000 0.928 883 K CB 1.381 33.882 32.500 0.003 0.000 1.039 883 K HN 0.338 nan 8.250 nan 0.000 0.470 884 V N 3.348 123.243 119.914 -0.033 0.000 2.443 884 V HA 0.190 4.311 4.120 0.002 0.000 0.293 884 V C -0.250 175.776 176.094 -0.113 0.000 1.021 884 V CA -0.801 61.463 62.300 -0.061 0.000 0.848 884 V CB 1.752 33.528 31.823 -0.078 0.000 0.998 884 V HN 0.548 nan 8.190 nan 0.000 0.424 885 E N 3.684 123.808 120.200 -0.126 0.000 2.092 885 E HA 0.400 4.751 4.350 0.002 0.000 0.271 885 E C -1.042 175.351 176.600 -0.346 0.000 0.919 885 E CA -0.338 55.902 56.400 -0.267 0.000 0.760 885 E CB 2.217 31.757 29.700 -0.266 0.000 1.106 885 E HN 0.435 nan 8.360 nan 0.000 0.408 886 V N 5.278 124.970 119.914 -0.370 0.000 2.333 886 V HA 0.215 4.336 4.120 0.002 0.000 0.274 886 V C -0.162 175.722 176.094 -0.349 0.000 1.028 886 V CA -0.701 61.429 62.300 -0.283 0.000 0.851 886 V CB -0.306 31.388 31.823 -0.216 0.000 1.000 886 V HN 0.492 nan 8.190 nan 0.000 0.456 887 Y N 1.848 122.114 120.300 -0.058 0.000 2.299 887 Y HA 0.069 4.622 4.550 0.005 0.000 0.335 887 Y C 1.636 177.519 175.900 -0.029 0.000 1.287 887 Y CA 0.115 58.194 58.100 -0.036 0.000 1.424 887 Y CB 0.372 38.817 38.460 -0.025 0.000 1.326 887 Y HN 0.647 nan 8.280 nan 0.000 0.567 888 D N 0.905 121.384 120.400 0.132 0.000 2.149 888 D HA -0.180 4.461 4.640 0.002 0.000 0.194 888 D C 2.081 178.413 176.300 0.054 0.000 1.001 888 D CA 1.933 55.974 54.000 0.067 0.000 0.849 888 D CB -0.281 40.558 40.800 0.065 0.000 0.939 888 D HN 0.821 nan 8.370 nan 0.000 0.449 889 G N -0.753 108.088 108.800 0.068 0.000 2.776 889 G HA2 0.039 4.000 3.960 0.002 0.000 0.209 889 G HA3 0.039 4.000 3.960 0.002 0.000 0.209 889 G C 0.146 175.060 174.900 0.024 0.000 1.145 889 G CA 0.012 45.134 45.100 0.035 0.000 0.791 889 G HN 0.156 nan 8.290 nan 0.000 0.530 890 V N 0.503 120.438 119.914 0.036 0.000 2.394 890 V HA 0.295 4.416 4.120 0.002 0.000 0.282 890 V C -0.097 176.017 176.094 0.033 0.000 1.031 890 V CA -1.017 61.300 62.300 0.029 0.000 0.881 890 V CB 1.767 33.600 31.823 0.017 0.000 0.982 890 V HN 0.313 nan 8.190 nan 0.000 0.451 891 E N 5.289 125.500 120.200 0.019 0.000 2.197 891 E HA 0.661 5.012 4.350 0.002 0.000 0.281 891 E C -1.379 175.332 176.600 0.184 0.000 0.995 891 E CA -0.502 55.934 56.400 0.061 0.000 0.808 891 E CB 1.106 30.799 29.700 -0.012 0.000 1.093 891 E HN 0.647 nan 8.360 nan 0.000 0.394 892 L N 2.659 124.025 121.223 0.237 0.000 2.350 892 L HA 0.627 4.968 4.340 0.002 0.000 0.260 892 L C -0.644 176.368 176.870 0.237 0.000 1.015 892 L CA -1.329 53.708 54.840 0.328 0.000 0.821 892 L CB 1.755 44.034 42.059 0.366 0.000 1.370 892 L HN 0.525 nan 8.230 nan 0.000 0.416 893 N N -1.977 116.776 118.700 0.089 0.000 2.697 893 N HA 0.324 5.066 4.740 0.002 0.000 0.272 893 N C -0.539 174.530 175.510 -0.735 0.000 1.381 893 N CA -0.865 52.080 53.050 -0.174 0.000 0.797 893 N CB 0.758 39.203 38.487 -0.070 0.000 1.523 893 N HN 0.654 nan 8.380 nan 0.000 0.518 894 D N -1.294 118.653 120.400 -0.755 0.000 2.338 894 D HA -0.007 4.634 4.640 0.002 0.000 0.239 894 D C 0.105 176.152 176.300 -0.421 0.000 1.095 894 D CA 0.509 53.973 54.000 -0.894 0.000 0.888 894 D CB -0.067 40.509 40.800 -0.373 0.000 0.899 894 D HN 0.587 nan 8.370 nan 0.000 0.525 895 K N -0.020 120.175 120.400 -0.342 0.000 2.372 895 K HA 0.128 4.450 4.320 0.002 0.000 0.200 895 K C 0.082 176.528 176.600 -0.257 0.000 1.022 895 K CA -0.314 55.819 56.287 -0.255 0.000 1.125 895 K CB 0.080 32.419 32.500 -0.268 0.000 0.855 895 K HN -0.055 nan 8.250 nan 0.000 0.524 896 N N 1.979 120.566 118.700 -0.189 0.000 2.741 896 N HA -0.184 4.557 4.740 0.002 0.000 0.251 896 N C -1.020 174.508 175.510 0.030 0.000 1.112 896 N CA 1.017 54.062 53.050 -0.009 0.000 0.750 896 N CB -0.724 37.766 38.487 0.005 0.000 1.119 896 N HN 0.457 nan 8.380 nan 0.000 0.561 897 Q N 0.099 119.928 119.800 0.048 0.000 2.241 897 Q HA 0.577 4.918 4.340 0.002 0.000 0.254 897 Q C -0.166 176.181 176.000 0.578 0.000 0.917 897 Q CA -0.472 55.482 55.803 0.252 0.000 0.919 897 Q CB 0.940 29.766 28.738 0.146 0.000 1.237 897 Q HN 0.318 nan 8.270 nan 0.000 0.434 898 F N -0.959 119.345 119.950 0.589 0.000 2.578 898 F HA 0.641 5.170 4.527 0.002 0.000 0.311 898 F C -1.121 174.775 175.800 0.160 0.000 1.094 898 F CA -1.249 56.966 58.000 0.359 0.000 0.923 898 F CB 1.468 40.581 39.000 0.189 0.000 1.230 898 F HN 0.250 nan 8.300 nan 0.000 0.450 899 K N 4.673 124.984 120.400 -0.148 0.000 2.323 899 K HA 0.622 4.943 4.320 0.002 0.000 0.259 899 K C -1.744 174.743 176.600 -0.189 0.000 0.947 899 K CA -0.639 55.236 56.287 -0.686 0.000 0.819 899 K CB 1.367 32.834 32.500 -1.721 0.000 1.109 899 K HN 0.935 nan 8.250 nan 0.000 0.429 900 L N 4.393 125.578 121.223 -0.064 0.000 2.282 900 L HA 0.351 4.692 4.340 0.002 0.000 0.288 900 L C 0.631 177.515 176.870 0.023 0.000 1.033 900 L CA -0.656 54.221 54.840 0.063 0.000 0.807 900 L CB 1.474 43.638 42.059 0.176 0.000 1.209 900 L HN 0.844 nan 8.230 nan 0.000 0.423 901 T N -2.013 112.548 114.554 0.011 0.000 2.844 901 T HA 0.228 4.579 4.350 0.002 0.000 0.274 901 T C 1.020 175.733 174.700 0.021 0.000 0.991 901 T CA -0.072 62.039 62.100 0.019 0.000 0.983 901 T CB 1.479 70.330 68.868 -0.028 0.000 1.310 901 T HN 0.537 nan 8.240 nan 0.000 0.596 902 S N -0.548 115.158 115.700 0.010 0.000 2.603 902 S HA 0.169 4.640 4.470 0.002 0.000 0.220 902 S C 0.711 175.303 174.600 -0.014 0.000 0.967 902 S CA -0.581 57.610 58.200 -0.014 0.000 0.920 902 S CB -0.563 62.623 63.200 -0.024 0.000 0.773 902 S HN 0.590 nan 8.310 nan 0.000 0.529 903 S N 1.655 117.350 115.700 -0.008 0.000 2.565 903 S HA 0.580 5.051 4.470 0.002 0.000 0.276 903 S C 1.510 176.102 174.600 -0.014 0.000 1.326 903 S CA -0.099 58.094 58.200 -0.011 0.000 1.045 903 S CB 1.154 64.349 63.200 -0.008 0.000 0.918 903 S HN 0.553 nan 8.310 nan 0.000 0.505 904 A N 2.988 125.794 122.820 -0.024 0.000 1.978 904 A HA -0.187 4.134 4.320 0.002 0.000 0.220 904 A C 1.688 179.239 177.584 -0.056 0.000 1.170 904 A CA 1.915 53.928 52.037 -0.041 0.000 0.636 904 A CB -0.660 18.312 19.000 -0.047 0.000 0.810 904 A HN 0.875 nan 8.150 nan 0.000 0.448 905 N N -0.855 117.826 118.700 -0.032 0.000 2.322 905 N HA 0.065 4.806 4.740 0.002 0.000 0.194 905 N C 0.228 175.765 175.510 0.046 0.000 1.126 905 N CA 0.706 53.747 53.050 -0.015 0.000 0.845 905 N CB -0.399 38.103 38.487 0.025 0.000 0.976 905 N HN 0.118 nan 8.380 nan 0.000 0.475 906 S N 0.400 116.118 115.700 0.030 0.000 3.036 906 S HA 0.252 4.724 4.470 0.002 0.000 0.301 906 S C -0.523 174.121 174.600 0.073 0.000 1.205 906 S CA -0.643 57.588 58.200 0.051 0.000 0.999 906 S CB -0.492 62.726 63.200 0.029 0.000 1.337 906 S HN 0.448 nan 8.310 nan 0.000 0.515 907 K N 4.135 124.605 120.400 0.116 0.000 2.568 907 K HA 0.541 4.862 4.320 0.002 0.000 0.273 907 K C -1.841 174.897 176.600 0.229 0.000 0.951 907 K CA -0.744 55.627 56.287 0.139 0.000 0.854 907 K CB 1.229 33.745 32.500 0.026 0.000 1.424 907 K HN 0.468 nan 8.250 nan 0.000 0.427 908 I N 2.548 123.233 120.570 0.192 0.000 2.533 908 I HA 0.432 4.603 4.170 0.002 0.000 0.290 908 I C -0.675 175.573 176.117 0.220 0.000 1.056 908 I CA -0.866 60.498 61.300 0.107 0.000 1.057 908 I CB 2.164 40.010 38.000 -0.256 0.000 1.240 908 I HN 0.493 nan 8.210 nan 0.000 0.423 909 R N 5.701 126.314 120.500 0.188 0.000 2.393 909 R HA 0.688 5.029 4.340 0.002 0.000 0.315 909 R C -1.824 174.545 176.300 0.115 0.000 0.952 909 R CA -0.481 55.727 56.100 0.179 0.000 0.842 909 R CB 1.761 32.193 30.300 0.221 0.000 1.163 909 R HN 0.455 nan 8.270 nan 0.000 0.450 910 V N 3.926 123.928 119.914 0.147 0.000 2.384 910 V HA 0.294 4.415 4.120 0.002 0.000 0.287 910 V C -0.182 175.977 176.094 0.108 0.000 1.020 910 V CA -0.558 61.820 62.300 0.130 0.000 0.850 910 V CB 1.916 33.871 31.823 0.220 0.000 0.987 910 V HN 0.763 nan 8.190 nan 0.000 0.436 911 T N 5.761 120.361 114.554 0.078 0.000 2.781 911 T HA 0.337 4.688 4.350 0.002 0.000 0.305 911 T C 0.006 174.748 174.700 0.070 0.000 1.001 911 T CA -0.370 61.769 62.100 0.064 0.000 0.950 911 T CB 0.435 69.329 68.868 0.042 0.000 0.955 911 T HN 0.669 nan 8.240 nan 0.000 0.471 912 Q N 2.400 122.252 119.800 0.087 0.000 2.394 912 Q HA 0.176 4.517 4.340 0.002 0.000 0.248 912 Q C 0.504 176.532 176.000 0.047 0.000 0.992 912 Q CA -0.682 55.171 55.803 0.082 0.000 0.888 912 Q CB 0.643 29.452 28.738 0.119 0.000 1.257 912 Q HN 0.457 nan 8.270 nan 0.000 0.462 913 N N 1.508 120.217 118.700 0.015 0.000 2.452 913 N HA -0.070 4.671 4.740 0.002 0.000 0.266 913 N C 0.199 175.702 175.510 -0.012 0.000 1.175 913 N CA 0.263 53.310 53.050 -0.006 0.000 0.945 913 N CB 0.885 39.351 38.487 -0.034 0.000 1.063 913 N HN 0.474 nan 8.380 nan 0.000 0.472 914 Q N 2.073 121.880 119.800 0.012 0.000 2.451 914 Q HA 0.084 4.425 4.340 0.002 0.000 0.206 914 Q C -0.023 175.995 176.000 0.030 0.000 0.947 914 Q CA 0.549 56.371 55.803 0.031 0.000 0.937 914 Q CB 0.135 28.893 28.738 0.034 0.000 1.025 914 Q HN 0.588 nan 8.270 nan 0.000 0.511 915 N N 0.310 119.013 118.700 0.005 0.000 2.268 915 N HA 0.156 4.897 4.740 0.002 0.000 0.204 915 N C 0.020 175.530 175.510 -0.001 0.000 1.124 915 N CA 0.081 53.142 53.050 0.019 0.000 0.838 915 N CB 1.064 39.558 38.487 0.012 0.000 0.994 915 N HN 0.239 nan 8.380 nan 0.000 0.489 916 I N 1.617 122.141 120.570 -0.077 0.000 2.331 916 I HA 0.240 4.411 4.170 0.002 0.000 0.292 916 I C 0.549 176.657 176.117 -0.015 0.000 0.998 916 I CA -0.692 60.508 61.300 -0.166 0.000 1.267 916 I CB 1.390 39.099 38.000 -0.484 0.000 1.386 916 I HN -0.218 nan 8.210 nan 0.000 0.476 917 I N 6.535 127.138 120.570 0.056 0.000 2.664 917 I HA -0.097 4.074 4.170 0.002 0.000 0.284 917 I C 0.614 176.830 176.117 0.166 0.000 1.154 917 I CA 1.080 62.461 61.300 0.135 0.000 1.402 917 I CB 0.032 38.130 38.000 0.163 0.000 1.395 917 I HN 0.729 nan 8.210 nan 0.000 0.545 918 F N 5.041 124.975 119.950 -0.026 0.000 2.834 918 F HA 0.201 4.731 4.527 0.005 0.000 0.332 918 F C 0.794 176.533 175.800 -0.101 0.000 1.056 918 F CA -0.430 57.525 58.000 -0.074 0.000 1.178 918 F CB 0.718 39.663 39.000 -0.092 0.000 1.037 918 F HN 0.446 nan 8.300 nan 0.000 0.580 919 N N 1.936 120.664 118.700 0.048 0.000 3.298 919 N HA 0.008 4.749 4.740 0.002 0.000 0.292 919 N C 1.184 176.686 175.510 -0.014 0.000 1.271 919 N CA 0.552 53.560 53.050 -0.070 0.000 1.184 919 N CB 0.725 39.190 38.487 -0.037 0.000 1.452 919 N HN 0.219 nan 8.380 nan 0.000 0.534 920 S N -0.418 115.252 115.700 -0.049 0.000 2.440 920 S HA -0.166 4.305 4.470 0.002 0.000 0.240 920 S C 1.033 175.744 174.600 0.184 0.000 1.014 920 S CA 0.695 58.922 58.200 0.046 0.000 0.980 920 S CB -0.226 62.858 63.200 -0.193 0.000 0.775 920 S HN 0.285 nan 8.310 nan 0.000 0.499 921 V N -0.316 119.639 119.914 0.069 0.000 5.894 921 V HA -0.174 3.947 4.120 0.002 0.000 0.327 921 V C 0.109 176.372 176.094 0.282 0.000 0.363 921 V CA 1.175 63.556 62.300 0.135 0.000 0.712 921 V CB -3.089 28.820 31.823 0.142 0.000 0.436 921 V HN 1.044 nan 8.190 nan 0.000 1.467 922 F N -2.825 117.133 119.950 0.013 0.000 3.250 922 F HA 0.663 5.191 4.527 0.002 0.000 0.380 922 F C -0.517 175.314 175.800 0.053 0.000 1.184 922 F CA -0.225 57.793 58.000 0.030 0.000 0.890 922 F CB 0.148 39.169 39.000 0.034 0.000 1.634 922 F HN 0.523 nan 8.300 nan 0.000 0.499 923 L N 2.787 123.756 121.223 -0.424 0.000 2.768 923 L HA -0.026 4.315 4.340 0.002 0.000 0.566 923 L C -1.166 175.454 176.870 -0.416 0.000 1.001 923 L CA 0.956 55.611 54.840 -0.308 0.000 1.287 923 L CB -0.621 41.431 42.059 -0.011 0.000 1.674 923 L HN 0.778 nan 8.230 nan 0.000 0.827 924 D N 5.556 125.781 120.400 -0.292 0.000 2.411 924 D HA 0.581 5.222 4.640 0.002 0.000 0.239 924 D C -0.789 175.665 176.300 0.257 0.000 1.307 924 D CA 0.270 54.188 54.000 -0.137 0.000 0.930 924 D CB 0.265 40.758 40.800 -0.511 0.000 1.395 924 D HN 0.514 nan 8.370 nan 0.000 0.536 925 F N -0.475 119.461 119.950 -0.024 0.000 2.741 925 F HA 0.793 5.321 4.527 0.001 0.000 0.311 925 F C -1.455 174.326 175.800 -0.031 0.000 1.149 925 F CA -0.926 57.115 58.000 0.068 0.000 0.930 925 F CB 1.233 40.403 39.000 0.284 0.000 1.312 925 F HN 0.001 nan 8.300 nan 0.000 0.450 926 S N 0.785 116.373 115.700 -0.187 0.000 2.599 926 S HA 0.843 5.314 4.470 0.002 0.000 0.287 926 S C -1.416 173.017 174.600 -0.278 0.000 1.105 926 S CA -0.797 57.158 58.200 -0.409 0.000 0.899 926 S CB 2.261 65.246 63.200 -0.359 0.000 1.100 926 S HN 0.618 nan 8.310 nan 0.000 0.482 927 V N 2.259 121.917 119.914 -0.427 0.000 2.638 927 V HA 0.764 4.885 4.120 0.002 0.000 0.306 927 V C -0.556 175.373 176.094 -0.275 0.000 1.052 927 V CA -0.664 61.456 62.300 -0.300 0.000 0.885 927 V CB 1.779 33.384 31.823 -0.363 0.000 0.999 927 V HN 0.991 nan 8.190 nan 0.000 0.424 928 S N 4.315 119.930 115.700 -0.141 0.000 2.548 928 S HA 1.001 5.472 4.470 0.002 0.000 0.286 928 S C -1.006 173.670 174.600 0.126 0.000 1.098 928 S CA -0.664 57.428 58.200 -0.180 0.000 0.930 928 S CB 2.359 65.564 63.200 0.009 0.000 1.070 928 S HN 1.424 nan 8.310 nan 0.000 0.480 929 F N -2.296 117.664 119.950 0.017 0.000 2.769 929 F HA 0.740 5.267 4.527 0.001 0.000 0.313 929 F C -2.388 173.621 175.800 0.349 0.000 1.146 929 F CA -1.720 56.498 58.000 0.364 0.000 0.934 929 F CB 0.050 39.318 39.000 0.446 0.000 1.283 929 F HN 0.638 nan 8.300 nan 0.000 0.443 930 W N 3.123 124.831 121.300 0.679 0.000 2.448 930 W HA 0.823 5.484 4.660 0.002 0.000 0.339 930 W C -0.646 176.320 176.519 0.746 0.000 1.124 930 W CA -0.823 56.877 57.345 0.591 0.000 1.262 930 W CB 1.666 31.353 29.460 0.379 0.000 1.251 930 W HN 0.736 nan 8.180 nan 0.000 0.597 931 I N 1.506 122.533 120.570 0.762 0.000 2.841 931 I HA 0.435 4.606 4.170 0.002 0.000 0.298 931 I C -1.242 174.784 176.117 -0.152 0.000 1.304 931 I CA -1.299 60.222 61.300 0.369 0.000 1.019 931 I CB 2.034 40.183 38.000 0.248 0.000 1.282 931 I HN 0.430 nan 8.210 nan 0.000 0.432 932 R N 7.102 127.346 120.500 -0.428 0.000 2.473 932 R HA 0.615 4.956 4.340 0.002 0.000 0.303 932 R C -1.755 174.472 176.300 -0.122 0.000 1.002 932 R CA -0.456 55.354 56.100 -0.483 0.000 0.884 932 R CB 1.202 30.804 30.300 -1.164 0.000 1.173 932 R HN 0.521 nan 8.270 nan 0.000 0.464 933 I N 6.817 127.399 120.570 0.021 0.000 2.330 933 I HA 0.361 4.533 4.170 0.002 0.000 0.289 933 I C -1.845 174.303 176.117 0.051 0.000 1.001 933 I CA -2.421 58.938 61.300 0.099 0.000 1.193 933 I CB 1.703 39.877 38.000 0.289 0.000 1.345 933 I HN 0.395 nan 8.210 nan 0.000 0.461 934 P HA -0.006 nan 4.420 nan 0.000 0.269 934 P C -0.617 176.605 177.300 -0.130 0.000 1.215 934 P CA -0.317 62.647 63.100 -0.227 0.000 0.780 934 P CB 0.911 32.220 31.700 -0.652 0.000 0.898 935 K N 2.692 122.944 120.400 -0.247 0.000 2.380 935 K HA 0.010 4.331 4.320 0.002 0.000 0.267 935 K C 0.043 176.254 176.600 -0.649 0.000 0.990 935 K CA -0.303 55.647 56.287 -0.561 0.000 0.946 935 K CB -0.021 31.857 32.500 -1.038 0.000 0.937 935 K HN 0.386 nan 8.250 nan 0.000 0.491 936 Y N 0.954 120.917 120.300 -0.561 0.000 2.457 936 Y HA 0.195 4.746 4.550 0.002 0.000 0.341 936 Y C -0.098 175.514 175.900 -0.479 0.000 1.240 936 Y CA -0.853 56.785 58.100 -0.769 0.000 1.437 936 Y CB 0.259 37.767 38.460 -1.588 0.000 1.328 936 Y HN 0.200 nan 8.280 nan 0.000 0.588 937 K N 2.712 123.028 120.400 -0.140 0.000 2.297 937 K HA 0.077 4.398 4.320 0.002 0.000 0.286 937 K C 0.371 176.992 176.600 0.035 0.000 1.053 937 K CA -0.222 56.012 56.287 -0.087 0.000 0.940 937 K CB 0.721 33.197 32.500 -0.040 0.000 1.019 937 K HN 0.775 nan 8.250 nan 0.000 0.475 938 N N 2.033 120.768 118.700 0.059 0.000 2.205 938 N HA -0.183 4.558 4.740 0.002 0.000 0.186 938 N C 0.779 176.351 175.510 0.104 0.000 1.015 938 N CA 1.376 54.514 53.050 0.145 0.000 0.862 938 N CB 0.066 38.694 38.487 0.234 0.000 0.986 938 N HN 0.610 nan 8.380 nan 0.000 0.429 939 D N -1.268 119.174 120.400 0.069 0.000 2.340 939 D HA 0.049 4.690 4.640 0.002 0.000 0.220 939 D C 1.041 177.361 176.300 0.034 0.000 1.039 939 D CA 0.271 54.304 54.000 0.056 0.000 0.866 939 D CB -0.518 40.309 40.800 0.046 0.000 0.913 939 D HN 0.135 nan 8.370 nan 0.000 0.523 940 G N 0.286 109.101 108.800 0.026 0.000 4.144 940 G HA2 0.181 4.142 3.960 0.002 0.000 0.297 940 G HA3 0.181 4.142 3.960 0.002 0.000 0.297 940 G C 0.719 175.633 174.900 0.025 0.000 1.090 940 G CA -0.365 44.749 45.100 0.023 0.000 0.870 940 G HN 0.153 nan 8.290 nan 0.000 0.532 941 I N -0.080 120.481 120.570 -0.016 0.000 2.493 941 I HA -0.086 4.086 4.170 0.002 0.000 0.254 941 I C 2.379 178.453 176.117 -0.073 0.000 1.160 941 I CA 1.276 62.527 61.300 -0.082 0.000 1.445 941 I CB 0.223 38.117 38.000 -0.177 0.000 1.086 941 I HN 0.118 nan 8.210 nan 0.000 0.433 942 Q N 0.242 119.999 119.800 -0.070 0.000 2.046 942 Q HA -0.181 4.160 4.340 0.002 0.000 0.200 942 Q C 2.116 178.096 176.000 -0.034 0.000 0.975 942 Q CA 1.699 57.438 55.803 -0.107 0.000 0.836 942 Q CB -0.665 28.025 28.738 -0.080 0.000 0.896 942 Q HN 0.509 nan 8.270 nan 0.000 0.428 943 N N 0.133 118.844 118.700 0.019 0.000 2.120 943 N HA -0.157 4.585 4.740 0.002 0.000 0.188 943 N C 1.511 177.082 175.510 0.101 0.000 1.024 943 N CA 0.931 54.020 53.050 0.065 0.000 0.852 943 N CB -0.488 38.028 38.487 0.049 0.000 1.003 943 N HN 0.285 nan 8.380 nan 0.000 0.424 944 Y N 1.789 122.074 120.300 -0.026 0.000 2.128 944 Y HA -0.183 4.368 4.550 0.002 0.000 0.284 944 Y C 1.931 177.809 175.900 -0.037 0.000 1.154 944 Y CA 1.730 59.825 58.100 -0.009 0.000 1.149 944 Y CB -0.350 38.105 38.460 -0.007 0.000 0.976 944 Y HN 0.180 nan 8.280 nan 0.000 0.505 945 I N -2.555 117.989 120.570 -0.042 0.000 3.251 945 I HA -0.012 4.159 4.170 0.002 0.000 0.277 945 I C 1.886 177.919 176.117 -0.139 0.000 1.268 945 I CA 1.490 62.669 61.300 -0.203 0.000 1.449 945 I CB -0.505 37.343 38.000 -0.254 0.000 1.083 945 I HN 0.183 nan 8.210 nan 0.000 0.464 946 H N 1.386 120.362 119.070 -0.155 0.000 2.476 946 H HA 0.270 4.827 4.556 0.002 0.000 0.292 946 H C 0.329 175.606 175.328 -0.085 0.000 1.019 946 H CA 0.236 56.214 56.048 -0.117 0.000 1.330 946 H CB 0.413 30.122 29.762 -0.089 0.000 1.451 946 H HN 0.211 nan 8.280 nan 0.000 0.535 947 N N 2.332 121.023 118.700 -0.014 0.000 2.415 947 N HA 0.011 4.752 4.740 0.002 0.000 0.246 947 N C -0.651 174.874 175.510 0.024 0.000 1.078 947 N CA 0.017 53.060 53.050 -0.011 0.000 0.942 947 N CB 0.998 39.521 38.487 0.059 0.000 1.140 947 N HN 0.525 nan 8.380 nan 0.000 0.501 948 E N 2.589 122.755 120.200 -0.057 0.000 2.313 948 E HA 0.143 4.494 4.350 0.002 0.000 0.276 948 E C -1.105 175.532 176.600 0.062 0.000 1.031 948 E CA -0.507 55.850 56.400 -0.071 0.000 0.857 948 E CB 0.485 30.102 29.700 -0.138 0.000 1.040 948 E HN 0.506 nan 8.360 nan 0.000 0.408 949 Y N 0.054 120.313 120.300 -0.069 0.000 2.457 949 Y HA 0.408 4.959 4.550 0.001 0.000 0.343 949 Y C -0.587 175.300 175.900 -0.022 0.000 0.994 949 Y CA -1.233 56.841 58.100 -0.043 0.000 1.031 949 Y CB 1.014 39.455 38.460 -0.032 0.000 1.246 949 Y HN 0.138 nan 8.280 nan 0.000 0.449 950 T N 4.739 119.331 114.554 0.063 0.000 2.919 950 T HA 0.262 4.613 4.350 0.002 0.000 0.302 950 T C 1.222 175.964 174.700 0.069 0.000 1.031 950 T CA 0.091 62.193 62.100 0.004 0.000 1.127 950 T CB 0.596 69.455 68.868 -0.015 0.000 0.952 950 T HN 0.822 nan 8.240 nan 0.000 0.540 951 I N -0.376 120.209 120.570 0.025 0.000 4.124 951 I HA 0.500 4.671 4.170 0.002 0.000 0.311 951 I C -0.059 176.043 176.117 -0.024 0.000 1.259 951 I CA 0.085 61.428 61.300 0.071 0.000 1.315 951 I CB 0.586 38.646 38.000 0.100 0.000 1.223 951 I HN 0.352 nan 8.210 nan 0.000 0.441 952 I N 2.399 122.909 120.570 -0.099 0.000 2.512 952 I HA 0.349 4.520 4.170 0.002 0.000 0.287 952 I C -1.304 174.655 176.117 -0.263 0.000 1.069 952 I CA -0.317 60.798 61.300 -0.308 0.000 1.056 952 I CB 1.943 39.736 38.000 -0.344 0.000 1.229 952 I HN 0.189 nan 8.210 nan 0.000 0.429 953 N N 5.442 123.920 118.700 -0.371 0.000 2.296 953 N HA 0.462 5.203 4.740 0.002 0.000 0.294 953 N C -1.682 173.488 175.510 -0.566 0.000 1.033 953 N CA -0.350 52.464 53.050 -0.394 0.000 0.839 953 N CB 2.474 40.814 38.487 -0.245 0.000 1.395 953 N HN 0.629 nan 8.380 nan 0.000 0.479 954 C N 6.940 125.740 119.300 -0.834 0.000 2.653 954 C HA 0.555 5.016 4.460 0.002 0.000 0.291 954 C C -1.077 173.544 174.990 -0.616 0.000 1.064 954 C CA -0.505 57.993 59.018 -0.867 0.000 1.469 954 C CB -0.791 25.976 27.740 -1.622 0.000 1.861 954 C HN 0.640 nan 8.230 nan 0.000 0.434 955 M N 3.773 123.165 119.600 -0.345 0.000 2.602 955 M HA 0.555 5.036 4.480 0.002 0.000 0.312 955 M C -0.768 175.446 176.300 -0.145 0.000 1.181 955 M CA -0.331 54.831 55.300 -0.228 0.000 0.910 955 M CB 2.102 34.592 32.600 -0.184 0.000 1.723 955 M HN 0.627 nan 8.290 nan 0.000 0.459 956 K N 2.401 122.737 120.400 -0.108 0.000 2.695 956 K HA 0.314 4.635 4.320 0.002 0.000 0.255 956 K C -0.978 175.587 176.600 -0.059 0.000 1.016 956 K CA -0.137 56.108 56.287 -0.070 0.000 0.928 956 K CB 0.556 33.026 32.500 -0.051 0.000 1.235 956 K HN 0.751 nan 8.250 nan 0.000 0.467 957 N N 4.143 122.812 118.700 -0.052 0.000 2.780 957 N HA -0.179 4.562 4.740 0.002 0.000 0.247 957 N C -1.024 174.457 175.510 -0.048 0.000 1.076 957 N CA 1.083 54.107 53.050 -0.044 0.000 0.688 957 N CB -1.311 37.155 38.487 -0.035 0.000 0.957 957 N HN 0.992 nan 8.380 nan 0.000 0.551 958 N N -2.309 116.356 118.700 -0.058 0.000 2.714 958 N HA -0.207 4.534 4.740 0.002 0.000 0.250 958 N C -0.489 174.984 175.510 -0.063 0.000 1.117 958 N CA 1.560 54.574 53.050 -0.060 0.000 0.719 958 N CB -1.046 37.412 38.487 -0.047 0.000 1.081 958 N HN 0.643 nan 8.380 nan 0.000 0.557 959 S N -1.305 114.353 115.700 -0.070 0.000 2.541 959 S HA 0.837 5.309 4.470 0.002 0.000 0.280 959 S C 0.209 174.756 174.600 -0.088 0.000 1.112 959 S CA 0.421 58.581 58.200 -0.067 0.000 0.925 959 S CB 2.231 65.400 63.200 -0.052 0.000 1.067 959 S HN 0.825 nan 8.310 nan 0.000 0.479 960 G N 2.750 111.503 108.800 -0.077 0.000 2.356 960 G HA2 0.236 4.197 3.960 0.002 0.000 0.266 960 G HA3 0.236 4.197 3.960 0.002 0.000 0.266 960 G C -1.775 173.104 174.900 -0.035 0.000 1.312 960 G CA -0.174 44.873 45.100 -0.088 0.000 0.922 960 G HN 1.008 nan 8.290 nan 0.000 0.480 961 W N 0.378 121.594 121.300 -0.140 0.000 2.902 961 W HA 0.860 5.520 4.660 0.000 0.000 0.346 961 W C -0.690 175.680 176.519 -0.248 0.000 1.139 961 W CA -0.988 56.165 57.345 -0.320 0.000 1.139 961 W CB 1.547 30.790 29.460 -0.361 0.000 1.439 961 W HN 1.048 nan 8.180 nan 0.000 0.558 962 K N 0.436 120.808 120.400 -0.048 0.000 2.562 962 K HA 0.709 5.030 4.320 0.002 0.000 0.267 962 K C -2.084 174.627 176.600 0.186 0.000 0.938 962 K CA -0.861 55.439 56.287 0.020 0.000 0.840 962 K CB 2.160 34.591 32.500 -0.115 0.000 1.390 962 K HN 0.536 nan 8.250 nan 0.000 0.428 963 I N 2.591 123.327 120.570 0.277 0.000 2.362 963 I HA 0.338 4.509 4.170 0.002 0.000 0.289 963 I C -0.496 175.697 176.117 0.126 0.000 0.994 963 I CA -0.413 61.084 61.300 0.329 0.000 1.158 963 I CB 2.004 40.267 38.000 0.439 0.000 1.315 963 I HN 0.916 nan 8.210 nan 0.000 0.451 964 S N 6.571 122.315 115.700 0.073 0.000 2.704 964 S HA 0.825 5.296 4.470 0.002 0.000 0.296 964 S C -0.782 173.713 174.600 -0.175 0.000 1.138 964 S CA -0.803 57.346 58.200 -0.085 0.000 0.875 964 S CB 2.325 65.465 63.200 -0.099 0.000 1.151 964 S HN 0.435 nan 8.310 nan 0.000 0.500 965 I N 0.354 120.629 120.570 -0.492 0.000 2.686 965 I HA 0.542 4.713 4.170 0.002 0.000 0.295 965 I C -0.515 175.230 176.117 -0.619 0.000 1.114 965 I CA -0.552 60.410 61.300 -0.563 0.000 1.038 965 I CB 2.465 40.054 38.000 -0.684 0.000 1.238 965 I HN 0.665 nan 8.210 nan 0.000 0.420 966 R N 3.853 124.126 120.500 -0.379 0.000 2.521 966 R HA 0.511 4.852 4.340 0.002 0.000 0.295 966 R C 0.430 176.470 176.300 -0.434 0.000 1.183 966 R CA 0.370 56.274 56.100 -0.326 0.000 0.957 966 R CB 1.316 31.438 30.300 -0.296 0.000 1.171 966 R HN 0.945 nan 8.270 nan 0.000 0.494 967 G N 3.871 112.316 108.800 -0.592 0.000 2.634 967 G HA2 -0.465 3.496 3.960 0.002 0.000 0.318 967 G HA3 -0.465 3.496 3.960 0.002 0.000 0.318 967 G C 0.367 174.794 174.900 -0.788 0.000 1.207 967 G CA 0.641 44.874 45.100 -1.445 0.000 0.987 967 G HN 0.747 nan 8.290 nan 0.000 0.547 968 N N 1.372 119.741 118.700 -0.551 0.000 2.313 968 N HA 0.077 4.818 4.740 0.002 0.000 0.207 968 N C 0.680 175.667 175.510 -0.872 0.000 1.141 968 N CA 0.649 53.332 53.050 -0.612 0.000 0.830 968 N CB 0.408 38.617 38.487 -0.464 0.000 1.008 968 N HN 0.824 nan 8.380 nan 0.000 0.481 969 R N 0.543 120.758 120.500 -0.475 0.000 2.561 969 R HA 0.473 4.814 4.340 0.002 0.000 0.297 969 R C -1.377 174.858 176.300 -0.108 0.000 0.969 969 R CA -0.684 55.219 56.100 -0.328 0.000 0.879 969 R CB 1.473 31.542 30.300 -0.384 0.000 1.178 969 R HN 0.166 nan 8.270 nan 0.000 0.445 970 I N 5.707 126.335 120.570 0.097 0.000 2.412 970 I HA 0.430 4.601 4.170 0.002 0.000 0.296 970 I C -1.170 175.098 176.117 0.251 0.000 0.987 970 I CA -0.863 60.560 61.300 0.205 0.000 1.180 970 I CB 1.124 39.356 38.000 0.386 0.000 1.340 970 I HN 0.631 nan 8.210 nan 0.000 0.455 971 I N 7.388 128.083 120.570 0.209 0.000 2.608 971 I HA 0.323 4.494 4.170 0.002 0.000 0.295 971 I C -1.151 175.173 176.117 0.346 0.000 1.049 971 I CA -0.448 61.010 61.300 0.263 0.000 1.063 971 I CB 1.824 39.903 38.000 0.131 0.000 1.248 971 I HN 0.602 nan 8.210 nan 0.000 0.424 972 W N 6.071 127.464 121.300 0.156 0.000 2.475 972 W HA 0.604 5.264 4.660 0.001 0.000 0.317 972 W C -1.554 175.046 176.519 0.136 0.000 1.046 972 W CA -0.394 57.043 57.345 0.153 0.000 1.215 972 W CB 1.938 31.465 29.460 0.111 0.000 1.335 972 W HN 0.417 nan 8.180 nan 0.000 0.471 973 T N 6.756 121.079 114.554 -0.386 0.000 2.886 973 T HA 0.567 4.918 4.350 0.002 0.000 0.292 973 T C -0.540 173.849 174.700 -0.518 0.000 1.012 973 T CA -0.524 61.364 62.100 -0.352 0.000 0.982 973 T CB 1.854 70.631 68.868 -0.152 0.000 1.018 973 T HN 0.325 nan 8.240 nan 0.000 0.451 974 L N 3.137 124.170 121.223 -0.317 0.000 2.354 974 L HA 0.703 5.044 4.340 0.002 0.000 0.269 974 L C -0.847 175.970 176.870 -0.088 0.000 1.005 974 L CA -1.012 53.715 54.840 -0.189 0.000 0.819 974 L CB 1.935 43.944 42.059 -0.083 0.000 1.311 974 L HN 0.518 nan 8.230 nan 0.000 0.423 975 I N 1.522 122.056 120.570 -0.059 0.000 2.468 975 I HA 0.213 4.384 4.170 0.002 0.000 0.285 975 I C -0.933 175.166 176.117 -0.030 0.000 1.039 975 I CA -0.768 60.504 61.300 -0.046 0.000 1.074 975 I CB 1.926 39.889 38.000 -0.062 0.000 1.228 975 I HN 0.604 nan 8.210 nan 0.000 0.436 976 D N 5.702 126.092 120.400 -0.018 0.000 2.377 976 D HA 0.118 4.759 4.640 0.002 0.000 0.245 976 D C 1.480 177.768 176.300 -0.021 0.000 1.196 976 D CA -0.632 53.360 54.000 -0.014 0.000 0.962 976 D CB 0.960 41.759 40.800 -0.001 0.000 1.127 976 D HN 0.644 nan 8.370 nan 0.000 0.471 977 I N -2.483 118.074 120.570 -0.021 0.000 2.730 977 I HA -0.278 3.893 4.170 0.002 0.000 0.266 977 I C 0.467 176.573 176.117 -0.018 0.000 1.228 977 I CA 1.183 62.469 61.300 -0.023 0.000 1.445 977 I CB -0.543 37.445 38.000 -0.020 0.000 1.102 977 I HN 0.185 nan 8.210 nan 0.000 0.464 978 N N 1.267 119.958 118.700 -0.014 0.000 2.325 978 N HA 0.123 4.864 4.740 0.002 0.000 0.182 978 N C 1.574 177.075 175.510 -0.015 0.000 1.088 978 N CA 1.097 54.140 53.050 -0.012 0.000 0.879 978 N CB 0.955 39.439 38.487 -0.006 0.000 0.983 978 N HN 0.660 nan 8.380 nan 0.000 0.471 979 G N 1.176 109.964 108.800 -0.020 0.000 2.195 979 G HA2 -0.269 3.692 3.960 0.002 0.000 0.224 979 G HA3 -0.269 3.692 3.960 0.002 0.000 0.224 979 G C 0.124 175.012 174.900 -0.020 0.000 0.990 979 G CA -0.135 44.951 45.100 -0.024 0.000 0.639 979 G HN 0.363 nan 8.290 nan 0.000 0.514 980 K N 1.490 121.882 120.400 -0.014 0.000 2.412 980 K HA 0.448 4.769 4.320 0.002 0.000 0.281 980 K C -0.215 176.378 176.600 -0.012 0.000 1.027 980 K CA 0.620 56.901 56.287 -0.009 0.000 0.989 980 K CB 0.201 32.700 32.500 -0.000 0.000 0.935 980 K HN 0.129 nan 8.250 nan 0.000 0.475 981 T N 4.146 118.692 114.554 -0.012 0.000 2.918 981 T HA 0.476 4.827 4.350 0.002 0.000 0.286 981 T C -0.991 173.707 174.700 -0.004 0.000 1.026 981 T CA -0.921 61.167 62.100 -0.018 0.000 1.031 981 T CB 1.381 70.233 68.868 -0.028 0.000 1.046 981 T HN 0.417 nan 8.240 nan 0.000 0.479 982 K N 1.178 121.573 120.400 -0.007 0.000 2.523 982 K HA 0.717 5.038 4.320 0.002 0.000 0.257 982 K C -1.186 175.425 176.600 0.018 0.000 0.932 982 K CA -0.692 55.607 56.287 0.020 0.000 0.812 982 K CB 2.530 35.054 32.500 0.040 0.000 1.326 982 K HN 0.611 nan 8.250 nan 0.000 0.433 983 S N 0.034 115.773 115.700 0.065 0.000 2.618 983 S HA 0.668 5.139 4.470 0.002 0.000 0.277 983 S C -1.538 173.163 174.600 0.168 0.000 1.138 983 S CA -0.751 57.516 58.200 0.112 0.000 0.844 983 S CB 2.588 65.856 63.200 0.112 0.000 1.127 983 S HN 0.323 nan 8.310 nan 0.000 0.474 984 V N 3.012 123.068 119.914 0.238 0.000 2.851 984 V HA 0.841 4.962 4.120 0.002 0.000 0.307 984 V C -2.032 174.190 176.094 0.212 0.000 1.129 984 V CA -0.708 61.673 62.300 0.134 0.000 0.932 984 V CB 1.457 33.348 31.823 0.114 0.000 1.024 984 V HN 0.852 nan 8.190 nan 0.000 0.426 985 F N 4.960 124.970 119.950 0.099 0.000 2.650 985 F HA 0.897 5.425 4.527 0.002 0.000 0.320 985 F C -1.777 174.104 175.800 0.135 0.000 1.091 985 F CA -1.707 56.357 58.000 0.107 0.000 0.962 985 F CB 1.779 40.801 39.000 0.036 0.000 1.363 985 F HN 0.488 nan 8.300 nan 0.000 0.482 986 F N 1.649 121.769 119.950 0.283 0.000 2.536 986 F HA 0.528 5.056 4.527 0.002 0.000 0.322 986 F C -1.163 174.756 175.800 0.200 0.000 1.144 986 F CA -0.712 57.364 58.000 0.127 0.000 0.924 986 F CB 1.587 40.592 39.000 0.008 0.000 1.181 986 F HN 0.789 nan 8.300 nan 0.000 0.438 987 E N 6.361 126.224 120.200 -0.562 0.000 2.199 987 E HA 0.333 4.684 4.350 0.002 0.000 0.265 987 E C -1.640 174.424 176.600 -0.892 0.000 0.882 987 E CA -0.836 55.183 56.400 -0.635 0.000 0.759 987 E CB 1.254 30.794 29.700 -0.266 0.000 1.148 987 E HN 0.610 nan 8.360 nan 0.000 0.412 988 Y N 1.845 121.737 120.300 -0.680 0.000 2.352 988 Y HA 0.418 4.969 4.550 0.002 0.000 0.326 988 Y C 0.019 175.858 175.900 -0.102 0.000 1.166 988 Y CA -1.407 56.421 58.100 -0.454 0.000 1.182 988 Y CB 0.371 38.622 38.460 -0.348 0.000 1.216 988 Y HN 0.400 nan 8.280 nan 0.000 0.474 989 N N 2.582 121.373 118.700 0.152 0.000 2.513 989 N HA 0.148 4.889 4.740 0.002 0.000 0.268 989 N C 0.111 175.787 175.510 0.277 0.000 1.180 989 N CA -0.279 52.865 53.050 0.157 0.000 0.948 989 N CB 0.400 38.979 38.487 0.154 0.000 1.083 989 N HN 0.810 nan 8.380 nan 0.000 0.455 990 I N -0.088 120.612 120.570 0.216 0.000 3.816 990 I HA 0.369 4.540 4.170 0.002 0.000 0.334 990 I C 0.396 176.645 176.117 0.219 0.000 1.551 990 I CA -0.320 61.154 61.300 0.289 0.000 1.153 990 I CB 0.216 38.358 38.000 0.236 0.000 1.197 990 I HN 0.407 nan 8.210 nan 0.000 0.439 991 R N 1.135 121.747 120.500 0.187 0.000 2.543 991 R HA 0.338 4.679 4.340 0.002 0.000 0.323 991 R C -0.228 176.177 176.300 0.175 0.000 1.002 991 R CA -0.143 56.047 56.100 0.150 0.000 1.106 991 R CB 0.678 31.035 30.300 0.095 0.000 1.280 991 R HN 0.485 nan 8.270 nan 0.000 0.549 992 E N 0.688 121.023 120.200 0.225 0.000 2.313 992 E HA 0.039 4.391 4.350 0.002 0.000 0.272 992 E C -0.079 176.674 176.600 0.254 0.000 1.038 992 E CA -0.493 56.037 56.400 0.216 0.000 0.863 992 E CB 1.181 31.011 29.700 0.218 0.000 1.060 992 E HN 0.000 nan 8.360 nan 0.000 0.402 993 D N 0.992 121.519 120.400 0.211 0.000 2.116 993 D HA -0.111 4.531 4.640 0.002 0.000 0.193 993 D C 0.488 176.940 176.300 0.252 0.000 0.998 993 D CA 1.477 55.612 54.000 0.224 0.000 0.836 993 D CB 0.259 41.166 40.800 0.177 0.000 0.951 993 D HN 0.264 nan 8.370 nan 0.000 0.449 994 I N -0.198 120.501 120.570 0.214 0.000 2.534 994 I HA 0.169 4.341 4.170 0.002 0.000 0.288 994 I C -0.244 175.968 176.117 0.157 0.000 1.077 994 I CA -0.595 60.804 61.300 0.166 0.000 1.051 994 I CB 1.864 39.959 38.000 0.159 0.000 1.234 994 I HN -0.252 nan 8.210 nan 0.000 0.425 995 S N 3.894 119.688 115.700 0.157 0.000 2.549 995 S HA 0.421 4.892 4.470 0.002 0.000 0.297 995 S C 0.701 175.271 174.600 -0.050 0.000 1.115 995 S CA -0.378 57.904 58.200 0.138 0.000 1.059 995 S CB 1.486 64.856 63.200 0.285 0.000 1.046 995 S HN 0.614 nan 8.310 nan 0.000 0.506 996 E N 2.053 122.099 120.200 -0.256 0.000 2.442 996 E HA 0.022 4.373 4.350 0.002 0.000 0.195 996 E C 0.138 176.348 176.600 -0.649 0.000 1.030 996 E CA 0.646 56.718 56.400 -0.546 0.000 0.869 996 E CB 0.174 29.393 29.700 -0.802 0.000 0.857 996 E HN 0.815 nan 8.360 nan 0.000 0.505 997 Y N -0.027 120.241 120.300 -0.053 0.000 2.539 997 Y HA 0.226 4.777 4.550 0.001 0.000 0.284 997 Y C 1.009 176.889 175.900 -0.034 0.000 1.134 997 Y CA -0.573 57.426 58.100 -0.168 0.000 1.251 997 Y CB 0.314 38.383 38.460 -0.651 0.000 1.260 997 Y HN -0.166 nan 8.280 nan 0.000 0.528 998 I N 3.100 123.754 120.570 0.139 0.000 2.845 998 I HA -0.216 3.956 4.170 0.002 0.000 0.290 998 I C 0.963 177.326 176.117 0.410 0.000 1.202 998 I CA 1.079 62.548 61.300 0.281 0.000 1.406 998 I CB -0.293 37.988 38.000 0.468 0.000 1.383 998 I HN 0.550 nan 8.210 nan 0.000 0.549 999 N N 4.242 123.113 118.700 0.285 0.000 2.800 999 N HA -0.206 4.535 4.740 0.002 0.000 0.250 999 N C -0.313 175.368 175.510 0.285 0.000 1.078 999 N CA 0.496 53.651 53.050 0.174 0.000 0.804 999 N CB -0.178 38.346 38.487 0.062 0.000 1.135 999 N HN 0.607 nan 8.380 nan 0.000 0.565 1000 R N -0.187 120.528 120.500 0.358 0.000 2.534 1000 R HA 0.225 4.566 4.340 0.002 0.000 0.301 1000 R C -0.809 175.780 176.300 0.482 0.000 0.961 1000 R CA -0.584 55.762 56.100 0.409 0.000 0.871 1000 R CB 0.727 31.236 30.300 0.349 0.000 1.170 1000 R HN 0.112 nan 8.270 nan 0.000 0.446 1001 W N 4.240 125.796 121.300 0.426 0.000 2.295 1001 W HA 0.015 4.677 4.660 0.003 0.000 0.335 1001 W C 0.113 177.079 176.519 0.745 0.000 1.351 1001 W CA 0.395 58.027 57.345 0.479 0.000 1.273 1001 W CB 0.208 29.915 29.460 0.412 0.000 1.214 1001 W HN 0.451 nan 8.180 nan 0.000 0.563 1002 F N 2.672 123.145 119.950 0.872 0.000 2.631 1002 F HA 0.544 5.072 4.527 0.003 0.000 0.308 1002 F C -1.633 174.303 175.800 0.227 0.000 1.097 1002 F CA -2.447 55.884 58.000 0.552 0.000 0.952 1002 F CB 0.597 39.846 39.000 0.416 0.000 1.307 1002 F HN 0.098 nan 8.300 nan 0.000 0.450 1003 F N 3.372 123.141 119.950 -0.301 0.000 2.420 1003 F HA 0.702 5.230 4.527 0.001 0.000 0.352 1003 F C -0.864 174.652 175.800 -0.473 0.000 1.108 1003 F CA -1.150 56.287 58.000 -0.938 0.000 1.162 1003 F CB 1.085 39.317 39.000 -1.279 0.000 1.118 1003 F HN 0.425 nan 8.300 nan 0.000 0.510 1004 V N 4.648 123.904 119.914 -1.097 0.000 2.667 1004 V HA 0.669 4.790 4.120 0.002 0.000 0.308 1004 V C -0.484 174.779 176.094 -1.385 0.000 1.048 1004 V CA -0.600 61.053 62.300 -1.077 0.000 0.928 1004 V CB 2.090 33.229 31.823 -1.140 0.000 1.004 1004 V HN 0.833 nan 8.190 nan 0.000 0.444 1005 T N 4.744 118.736 114.554 -0.938 0.000 3.172 1005 T HA 0.594 4.945 4.350 0.002 0.000 0.320 1005 T C -0.840 173.551 174.700 -0.515 0.000 1.085 1005 T CA -0.215 61.423 62.100 -0.770 0.000 1.052 1005 T CB 1.186 69.586 68.868 -0.780 0.000 1.107 1005 T HN 0.401 nan 8.240 nan 0.000 0.458 1006 I N 3.361 123.584 120.570 -0.578 0.000 2.389 1006 I HA 0.498 4.669 4.170 0.002 0.000 0.288 1006 I C 0.437 176.151 176.117 -0.672 0.000 0.999 1006 I CA -0.696 60.205 61.300 -0.666 0.000 1.129 1006 I CB 2.034 39.383 38.000 -1.085 0.000 1.288 1006 I HN 0.700 nan 8.210 nan 0.000 0.444 1007 T N 2.316 116.592 114.554 -0.464 0.000 2.888 1007 T HA 0.546 4.897 4.350 0.002 0.000 0.284 1007 T C -0.553 173.956 174.700 -0.319 0.000 1.017 1007 T CA -0.888 60.982 62.100 -0.384 0.000 1.022 1007 T CB 1.709 70.453 68.868 -0.208 0.000 1.013 1007 T HN 0.435 nan 8.240 nan 0.000 0.465 1008 N N 2.469 121.002 118.700 -0.278 0.000 2.249 1008 N HA 0.509 5.250 4.740 0.002 0.000 0.296 1008 N C -1.334 174.196 175.510 0.032 0.000 1.051 1008 N CA -0.646 52.352 53.050 -0.086 0.000 0.815 1008 N CB 2.513 40.968 38.487 -0.052 0.000 1.487 1008 N HN 0.941 nan 8.380 nan 0.000 0.475 1009 N N -0.768 117.992 118.700 0.100 0.000 2.732 1009 N HA 0.209 4.950 4.740 0.002 0.000 0.259 1009 N C 0.743 176.405 175.510 0.253 0.000 1.402 1009 N CA -0.753 52.413 53.050 0.194 0.000 0.829 1009 N CB 0.354 38.962 38.487 0.201 0.000 1.495 1009 N HN 0.156 nan 8.380 nan 0.000 0.511 1010 L N -2.112 119.399 121.223 0.480 0.000 2.283 1010 L HA -0.047 4.294 4.340 0.002 0.000 0.217 1010 L C 0.714 177.697 176.870 0.189 0.000 1.104 1010 L CA 1.558 56.630 54.840 0.385 0.000 0.772 1010 L CB -1.563 40.714 42.059 0.364 0.000 0.899 1010 L HN 0.606 nan 8.230 nan 0.000 0.439 1011 N N -1.204 117.583 118.700 0.145 0.000 2.516 1011 N HA 0.103 4.844 4.740 0.002 0.000 0.197 1011 N C 0.109 175.662 175.510 0.072 0.000 1.064 1011 N CA 0.245 53.348 53.050 0.088 0.000 0.866 1011 N CB 0.304 38.826 38.487 0.058 0.000 1.255 1011 N HN 0.438 nan 8.380 nan 0.000 0.447 1012 N N 0.061 118.804 118.700 0.071 0.000 2.405 1012 N HA 0.521 5.262 4.740 0.002 0.000 0.285 1012 N C -1.315 174.226 175.510 0.051 0.000 1.262 1012 N CA -0.432 52.647 53.050 0.047 0.000 0.773 1012 N CB 2.459 40.953 38.487 0.012 0.000 1.490 1012 N HN -0.053 nan 8.380 nan 0.000 0.486 1013 A N 1.056 123.901 122.820 0.043 0.000 2.310 1013 A HA 0.538 4.860 4.320 0.002 0.000 0.304 1013 A C -0.558 176.996 177.584 -0.050 0.000 1.231 1013 A CA -0.599 51.466 52.037 0.047 0.000 0.799 1013 A CB 0.448 19.572 19.000 0.206 0.000 1.162 1013 A HN 0.508 nan 8.150 nan 0.000 0.486 1014 K N 2.140 122.463 120.400 -0.130 0.000 2.270 1014 K HA 0.671 4.993 4.320 0.002 0.000 0.255 1014 K C -1.186 175.269 176.600 -0.241 0.000 0.936 1014 K CA -0.346 55.828 56.287 -0.187 0.000 0.809 1014 K CB 2.450 34.859 32.500 -0.152 0.000 1.131 1014 K HN 0.644 nan 8.250 nan 0.000 0.427 1015 I N 3.338 123.724 120.570 -0.307 0.000 2.378 1015 I HA 0.287 4.459 4.170 0.002 0.000 0.291 1015 I C -1.014 174.848 176.117 -0.424 0.000 0.992 1015 I CA -0.879 60.244 61.300 -0.296 0.000 1.154 1015 I CB 0.780 38.655 38.000 -0.208 0.000 1.315 1015 I HN 0.459 nan 8.210 nan 0.000 0.448 1016 Y N 6.219 126.257 120.300 -0.438 0.000 2.409 1016 Y HA 0.528 5.079 4.550 0.003 0.000 0.339 1016 Y C -0.050 175.512 175.900 -0.562 0.000 1.033 1016 Y CA -0.876 56.951 58.100 -0.455 0.000 1.094 1016 Y CB 1.671 39.878 38.460 -0.423 0.000 1.210 1016 Y HN 0.230 nan 8.280 nan 0.000 0.456 1017 I N 3.623 123.930 120.570 -0.438 0.000 2.447 1017 I HA 0.196 4.367 4.170 0.002 0.000 0.287 1017 I C -0.296 175.586 176.117 -0.391 0.000 1.023 1017 I CA -1.067 59.927 61.300 -0.510 0.000 1.083 1017 I CB 1.272 38.738 38.000 -0.891 0.000 1.245 1017 I HN 0.727 nan 8.210 nan 0.000 0.434 1018 N N 5.173 123.631 118.700 -0.403 0.000 2.727 1018 N HA -0.215 4.526 4.740 0.002 0.000 0.249 1018 N C 1.169 176.124 175.510 -0.924 0.000 1.048 1018 N CA 1.330 53.893 53.050 -0.812 0.000 0.714 1018 N CB -0.896 37.252 38.487 -0.566 0.000 0.959 1018 N HN 1.146 nan 8.380 nan 0.000 0.544 1019 G N -1.241 107.296 108.800 -0.439 0.000 2.225 1019 G HA2 -0.377 3.585 3.960 0.002 0.000 0.254 1019 G HA3 -0.377 3.585 3.960 0.002 0.000 0.254 1019 G C 0.055 174.924 174.900 -0.051 0.000 0.988 1019 G CA 0.899 45.881 45.100 -0.197 0.000 0.625 1019 G HN 0.726 nan 8.290 nan 0.000 0.527 1020 K N 0.292 120.618 120.400 -0.124 0.000 2.123 1020 K HA 0.705 5.026 4.320 0.002 0.000 0.259 1020 K C -0.022 176.450 176.600 -0.212 0.000 0.960 1020 K CA -1.085 55.141 56.287 -0.102 0.000 0.872 1020 K CB 1.127 33.545 32.500 -0.137 0.000 1.079 1020 K HN 0.227 nan 8.250 nan 0.000 0.440 1021 L N 3.759 124.779 121.223 -0.337 0.000 2.360 1021 L HA 0.154 4.496 4.340 0.002 0.000 0.276 1021 L C 0.380 176.987 176.870 -0.439 0.000 1.121 1021 L CA 0.777 55.195 54.840 -0.703 0.000 0.845 1021 L CB 0.824 42.459 42.059 -0.706 0.000 1.143 1021 L HN 0.827 nan 8.230 nan 0.000 0.452 1022 E N 2.123 122.050 120.200 -0.454 0.000 2.391 1022 E HA 0.254 4.605 4.350 0.002 0.000 0.206 1022 E C -0.349 176.126 176.600 -0.209 0.000 0.851 1022 E CA 0.221 56.456 56.400 -0.276 0.000 1.059 1022 E CB 0.690 30.191 29.700 -0.332 0.000 1.065 1022 E HN 0.667 nan 8.360 nan 0.000 0.512 1023 S N 0.687 116.220 115.700 -0.279 0.000 2.541 1023 S HA 0.475 4.946 4.470 0.002 0.000 0.271 1023 S C -0.876 173.573 174.600 -0.251 0.000 1.133 1023 S CA -0.906 57.143 58.200 -0.252 0.000 0.876 1023 S CB 2.369 65.410 63.200 -0.265 0.000 1.105 1023 S HN -0.000 nan 8.310 nan 0.000 0.470 1024 N N 0.557 119.135 118.700 -0.203 0.000 2.264 1024 N HA 0.633 5.374 4.740 0.002 0.000 0.288 1024 N C -1.891 173.559 175.510 -0.099 0.000 1.094 1024 N CA -0.204 52.757 53.050 -0.150 0.000 0.817 1024 N CB 2.346 40.750 38.487 -0.139 0.000 1.604 1024 N HN 0.603 nan 8.380 nan 0.000 0.473 1025 T N 0.941 115.466 114.554 -0.048 0.000 2.991 1025 T HA 0.151 4.502 4.350 0.002 0.000 0.303 1025 T C -1.256 173.454 174.700 0.017 0.000 1.015 1025 T CA -0.657 61.438 62.100 -0.009 0.000 1.007 1025 T CB 1.518 70.402 68.868 0.027 0.000 1.034 1025 T HN 0.359 nan 8.240 nan 0.000 0.446 1026 D N 3.013 123.422 120.400 0.014 0.000 2.383 1026 D HA 0.134 4.775 4.640 0.002 0.000 0.252 1026 D C 0.705 177.031 176.300 0.044 0.000 1.166 1026 D CA -0.252 53.763 54.000 0.026 0.000 0.879 1026 D CB 0.606 41.416 40.800 0.017 0.000 1.164 1026 D HN 0.673 nan 8.370 nan 0.000 0.462 1027 I N 0.469 121.075 120.570 0.060 0.000 3.658 1027 I HA 0.192 4.363 4.170 0.002 0.000 0.328 1027 I C 1.187 177.347 176.117 0.072 0.000 1.567 1027 I CA -0.755 60.589 61.300 0.073 0.000 1.078 1027 I CB 0.419 38.480 38.000 0.103 0.000 1.267 1027 I HN 0.051 nan 8.210 nan 0.000 0.495 1028 K N 1.293 121.729 120.400 0.060 0.000 2.103 1028 K HA -0.146 4.175 4.320 0.002 0.000 0.207 1028 K C 1.045 177.676 176.600 0.052 0.000 1.048 1028 K CA 2.062 58.384 56.287 0.059 0.000 0.930 1028 K CB -0.100 32.426 32.500 0.043 0.000 0.716 1028 K HN 0.357 nan 8.250 nan 0.000 0.444 1029 D N 0.746 121.171 120.400 0.042 0.000 2.097 1029 D HA -0.089 4.552 4.640 0.002 0.000 0.195 1029 D C 0.657 176.979 176.300 0.037 0.000 0.989 1029 D CA 0.661 54.682 54.000 0.034 0.000 0.827 1029 D CB -0.122 40.694 40.800 0.028 0.000 0.966 1029 D HN -0.013 nan 8.370 nan 0.000 0.456 1030 I N 2.137 122.732 120.570 0.042 0.000 2.996 1030 I HA -0.162 4.009 4.170 0.002 0.000 0.311 1030 I C 1.361 177.503 176.117 0.041 0.000 1.219 1030 I CA 0.609 61.933 61.300 0.040 0.000 1.452 1030 I CB -0.012 38.020 38.000 0.052 0.000 1.319 1030 I HN 0.013 nan 8.210 nan 0.000 0.564 1031 R N 4.146 124.663 120.500 0.028 0.000 2.596 1031 R HA 0.258 4.599 4.340 0.002 0.000 0.216 1031 R C 0.118 176.428 176.300 0.016 0.000 1.348 1031 R CA -0.892 55.223 56.100 0.025 0.000 1.009 1031 R CB -0.111 30.198 30.300 0.016 0.000 1.947 1031 R HN 0.608 nan 8.270 nan 0.000 0.526 1032 E N 0.704 120.906 120.200 0.005 0.000 2.467 1032 E HA 0.018 4.369 4.350 0.002 0.000 0.264 1032 E C -1.059 175.523 176.600 -0.031 0.000 1.020 1032 E CA 0.221 56.611 56.400 -0.018 0.000 0.945 1032 E CB 0.520 30.206 29.700 -0.022 0.000 0.942 1032 E HN 0.097 nan 8.360 nan 0.000 0.449 1033 V N 6.424 126.299 119.914 -0.065 0.000 2.462 1033 V HA 0.209 4.330 4.120 0.002 0.000 0.288 1033 V C -0.135 175.884 176.094 -0.126 0.000 1.020 1033 V CA -0.597 61.664 62.300 -0.066 0.000 0.857 1033 V CB 1.158 32.965 31.823 -0.028 0.000 1.013 1033 V HN 0.630 nan 8.190 nan 0.000 0.431 1034 I N 3.902 124.415 120.570 -0.095 0.000 2.664 1034 I HA 0.169 4.340 4.170 0.002 0.000 0.284 1034 I C 1.232 177.287 176.117 -0.103 0.000 1.154 1034 I CA 0.552 61.787 61.300 -0.109 0.000 1.402 1034 I CB 0.998 38.958 38.000 -0.066 0.000 1.395 1034 I HN 0.735 nan 8.210 nan 0.000 0.545 1035 A N 5.450 128.149 122.820 -0.201 0.000 2.469 1035 A HA 0.068 4.389 4.320 0.002 0.000 0.245 1035 A C 1.220 178.968 177.584 0.273 0.000 1.221 1035 A CA -0.238 51.770 52.037 -0.047 0.000 0.946 1035 A CB -0.088 18.522 19.000 -0.650 0.000 1.049 1035 A HN 0.792 nan 8.150 nan 0.000 0.529 1036 N N 0.597 119.423 118.700 0.209 0.000 2.251 1036 N HA 0.139 4.880 4.740 0.002 0.000 0.217 1036 N C 0.657 176.269 175.510 0.170 0.000 1.124 1036 N CA 0.537 53.791 53.050 0.339 0.000 0.843 1036 N CB -0.240 38.455 38.487 0.346 0.000 1.024 1036 N HN 0.161 nan 8.380 nan 0.000 0.501 1037 G N 0.196 109.048 108.800 0.086 0.000 2.683 1037 G HA2 0.045 4.006 3.960 0.002 0.000 0.260 1037 G HA3 0.045 4.006 3.960 0.002 0.000 0.260 1037 G C -0.436 174.472 174.900 0.014 0.000 1.238 1037 G CA -0.509 44.599 45.100 0.013 0.000 0.934 1037 G HN 0.380 nan 8.290 nan 0.000 0.534 1038 E N -1.294 118.896 120.200 -0.016 0.000 2.415 1038 E HA 0.153 4.504 4.350 0.002 0.000 0.262 1038 E C -0.219 176.345 176.600 -0.060 0.000 1.038 1038 E CA 0.030 56.426 56.400 -0.006 0.000 0.921 1038 E CB 0.348 30.041 29.700 -0.012 0.000 0.950 1038 E HN 0.217 nan 8.360 nan 0.000 0.438 1039 I N 5.252 125.818 120.570 -0.006 0.000 2.362 1039 I HA 0.242 4.413 4.170 0.002 0.000 0.289 1039 I C -0.522 175.571 176.117 -0.041 0.000 0.994 1039 I CA -0.761 60.487 61.300 -0.087 0.000 1.158 1039 I CB 1.113 39.157 38.000 0.074 0.000 1.315 1039 I HN 0.350 nan 8.210 nan 0.000 0.451 1040 I N 6.619 127.085 120.570 -0.174 0.000 2.362 1040 I HA 0.320 4.491 4.170 0.002 0.000 0.289 1040 I C -0.604 175.422 176.117 -0.151 0.000 0.994 1040 I CA -0.511 60.752 61.300 -0.062 0.000 1.158 1040 I CB 1.082 39.036 38.000 -0.076 0.000 1.315 1040 I HN 0.319 nan 8.210 nan 0.000 0.451 1041 F N 6.173 126.089 119.950 -0.057 0.000 2.361 1041 F HA 0.563 5.092 4.527 0.004 0.000 0.364 1041 F C 0.451 176.259 175.800 0.013 0.000 1.120 1041 F CA -0.419 57.564 58.000 -0.028 0.000 1.102 1041 F CB 0.876 39.848 39.000 -0.047 0.000 1.183 1041 F HN 0.377 nan 8.300 nan 0.000 0.476 1042 K N 3.598 124.083 120.400 0.142 0.000 2.622 1042 K HA 0.370 4.691 4.320 0.002 0.000 0.273 1042 K C -1.913 174.747 176.600 0.100 0.000 0.957 1042 K CA -0.712 55.641 56.287 0.110 0.000 0.861 1042 K CB 1.359 33.890 32.500 0.052 0.000 1.405 1042 K HN 0.529 nan 8.250 nan 0.000 0.406 1043 L N 2.915 124.202 121.223 0.107 0.000 2.360 1043 L HA 0.285 4.626 4.340 0.002 0.000 0.276 1043 L C -0.402 176.518 176.870 0.083 0.000 1.121 1043 L CA -0.075 54.847 54.840 0.136 0.000 0.845 1043 L CB 0.518 42.622 42.059 0.074 0.000 1.143 1043 L HN 0.601 nan 8.230 nan 0.000 0.452 1044 D N 2.837 123.308 120.400 0.118 0.000 2.479 1044 D HA 0.681 5.322 4.640 0.002 0.000 0.246 1044 D C -0.384 175.969 176.300 0.090 0.000 1.336 1044 D CA -0.012 54.025 54.000 0.062 0.000 0.967 1044 D CB 1.559 42.372 40.800 0.022 0.000 1.275 1044 D HN 0.705 nan 8.370 nan 0.000 0.577 1045 G N 2.271 111.106 108.800 0.058 0.000 2.320 1045 G HA2 0.223 4.184 3.960 0.002 0.000 0.297 1045 G HA3 0.223 4.184 3.960 0.002 0.000 0.297 1045 G C -1.377 173.530 174.900 0.013 0.000 1.344 1045 G CA -0.971 44.166 45.100 0.063 0.000 0.851 1045 G HN 0.325 nan 8.290 nan 0.000 0.567 1046 D N 0.645 121.052 120.400 0.012 0.000 2.489 1046 D HA 0.363 5.004 4.640 0.002 0.000 0.237 1046 D C 1.072 177.344 176.300 -0.045 0.000 1.212 1046 D CA -0.069 53.925 54.000 -0.010 0.000 1.058 1046 D CB -0.554 40.252 40.800 0.010 0.000 1.098 1046 D HN 0.601 nan 8.370 nan 0.000 0.509 1047 I N -1.223 119.284 120.570 -0.105 0.000 2.676 1047 I HA 0.469 4.640 4.170 0.002 0.000 0.309 1047 I C 0.304 176.348 176.117 -0.122 0.000 0.990 1047 I CA -1.063 60.117 61.300 -0.200 0.000 1.168 1047 I CB 1.413 39.197 38.000 -0.361 0.000 1.343 1047 I HN -0.023 nan 8.210 nan 0.000 0.482 1048 D N 2.816 123.147 120.400 -0.116 0.000 2.372 1048 D HA 0.046 4.687 4.640 0.002 0.000 0.243 1048 D C 0.852 177.117 176.300 -0.059 0.000 1.121 1048 D CA -0.071 53.893 54.000 -0.061 0.000 0.898 1048 D CB 1.422 42.200 40.800 -0.037 0.000 1.202 1048 D HN 0.689 nan 8.370 nan 0.000 0.428 1049 R N 0.772 121.254 120.500 -0.031 0.000 2.241 1049 R HA -0.111 4.230 4.340 0.002 0.000 0.224 1049 R C 1.677 177.980 176.300 0.005 0.000 1.101 1049 R CA 1.643 57.732 56.100 -0.018 0.000 0.995 1049 R CB -0.021 30.273 30.300 -0.010 0.000 0.870 1049 R HN 0.504 nan 8.270 nan 0.000 0.463 1050 T N -2.803 111.760 114.554 0.015 0.000 3.107 1050 T HA 0.025 4.376 4.350 0.002 0.000 0.249 1050 T C 0.560 175.327 174.700 0.110 0.000 1.096 1050 T CA -0.365 61.777 62.100 0.070 0.000 1.012 1050 T CB 0.166 69.070 68.868 0.061 0.000 0.977 1050 T HN 0.042 nan 8.240 nan 0.000 0.527 1051 Q N 1.768 121.570 119.800 0.003 0.000 2.313 1051 Q HA 0.493 4.834 4.340 0.002 0.000 0.266 1051 Q C -0.607 175.414 176.000 0.034 0.000 0.989 1051 Q CA -0.415 55.338 55.803 -0.085 0.000 0.890 1051 Q CB 0.042 28.644 28.738 -0.227 0.000 1.200 1051 Q HN 0.608 nan 8.270 nan 0.000 0.396 1052 F N 1.674 121.587 119.950 -0.062 0.000 2.715 1052 F HA 0.811 5.339 4.527 0.002 0.000 0.318 1052 F C -1.454 174.329 175.800 -0.027 0.000 1.141 1052 F CA -1.340 56.611 58.000 -0.081 0.000 0.950 1052 F CB 1.249 40.161 39.000 -0.146 0.000 1.374 1052 F HN 0.302 nan 8.300 nan 0.000 0.477 1053 I N 0.795 121.487 120.570 0.203 0.000 2.722 1053 I HA 0.189 4.360 4.170 0.002 0.000 0.292 1053 I C -1.938 174.218 176.117 0.065 0.000 1.267 1053 I CA -0.906 60.475 61.300 0.135 0.000 1.036 1053 I CB 1.990 40.086 38.000 0.161 0.000 1.281 1053 I HN 0.840 nan 8.210 nan 0.000 0.423 1054 W N 6.157 127.483 121.300 0.042 0.000 2.520 1054 W HA 0.728 5.388 4.660 -0.000 0.000 0.323 1054 W C 0.054 176.535 176.519 -0.064 0.000 1.062 1054 W CA -0.468 56.847 57.345 -0.049 0.000 1.215 1054 W CB 1.888 31.218 29.460 -0.216 0.000 1.340 1054 W HN 0.316 nan 8.180 nan 0.000 0.516 1055 M N 3.374 123.049 119.600 0.125 0.000 2.572 1055 M HA 0.499 4.980 4.480 0.002 0.000 0.299 1055 M C -1.197 175.110 176.300 0.011 0.000 1.205 1055 M CA -0.687 54.612 55.300 -0.001 0.000 0.876 1055 M CB 2.159 34.424 32.600 -0.558 0.000 1.728 1055 M HN 0.363 nan 8.290 nan 0.000 0.458 1056 K N 2.150 122.748 120.400 0.329 0.000 2.557 1056 K HA 0.305 4.626 4.320 0.002 0.000 0.261 1056 K C -1.550 175.346 176.600 0.494 0.000 0.932 1056 K CA -0.510 55.889 56.287 0.187 0.000 0.829 1056 K CB 1.279 33.555 32.500 -0.373 0.000 1.358 1056 K HN 0.837 nan 8.250 nan 0.000 0.430 1057 Y N 1.585 122.144 120.300 0.430 0.000 3.234 1057 Y HA -0.291 4.259 4.550 0.001 0.000 0.207 1057 Y C -0.595 175.652 175.900 0.579 0.000 1.316 1057 Y CA -0.120 58.251 58.100 0.452 0.000 1.309 1057 Y CB -1.168 37.546 38.460 0.422 0.000 1.408 1057 Y HN 0.495 nan 8.280 nan 0.000 0.544 1058 F N 2.628 122.970 119.950 0.654 0.000 2.467 1058 F HA 0.429 4.955 4.527 -0.000 0.000 0.362 1058 F C 0.460 176.542 175.800 0.470 0.000 1.090 1058 F CA 0.404 58.777 58.000 0.620 0.000 1.202 1058 F CB 0.623 39.999 39.000 0.627 0.000 1.113 1058 F HN 0.095 nan 8.300 nan 0.000 0.541 1059 S N 6.182 121.784 115.700 -0.164 0.000 2.579 1059 S HA 0.790 5.261 4.470 0.002 0.000 0.272 1059 S C -1.156 173.340 174.600 -0.173 0.000 1.141 1059 S CA -0.983 57.182 58.200 -0.058 0.000 0.843 1059 S CB 1.656 64.870 63.200 0.024 0.000 1.122 1059 S HN 0.569 nan 8.310 nan 0.000 0.468 1060 I N 1.285 121.803 120.570 -0.087 0.000 2.582 1060 I HA 0.558 4.729 4.170 0.002 0.000 0.292 1060 I C -1.535 174.537 176.117 -0.074 0.000 1.066 1060 I CA -0.680 60.636 61.300 0.026 0.000 1.053 1060 I CB 1.819 39.908 38.000 0.149 0.000 1.241 1060 I HN 0.553 nan 8.210 nan 0.000 0.421 1061 F N 3.149 123.097 119.950 -0.004 0.000 2.508 1061 F HA 0.314 4.845 4.527 0.005 0.000 0.325 1061 F C 0.742 176.587 175.800 0.076 0.000 1.090 1061 F CA -1.030 56.973 58.000 0.005 0.000 0.945 1061 F CB 1.257 40.240 39.000 -0.027 0.000 1.156 1061 F HN 0.469 nan 8.300 nan 0.000 0.463 1062 N N 0.589 119.414 118.700 0.207 0.000 2.597 1062 N HA 0.154 4.895 4.740 0.002 0.000 0.269 1062 N C -0.416 175.241 175.510 0.246 0.000 1.204 1062 N CA 0.063 53.241 53.050 0.213 0.000 0.947 1062 N CB 0.598 39.099 38.487 0.023 0.000 1.258 1062 N HN 0.636 nan 8.380 nan 0.000 0.508 1063 T N -1.521 113.183 114.554 0.250 0.000 2.733 1063 T HA 0.159 4.510 4.350 0.002 0.000 0.312 1063 T C -2.096 172.643 174.700 0.065 0.000 1.590 1063 T CA -0.787 61.405 62.100 0.154 0.000 1.005 1063 T CB 1.352 70.291 68.868 0.118 0.000 1.528 1063 T HN 0.267 nan 8.240 nan 0.000 0.496 1064 E N 2.362 122.574 120.200 0.020 0.000 2.130 1064 E HA 0.440 4.791 4.350 0.002 0.000 0.284 1064 E C -0.599 175.913 176.600 -0.146 0.000 1.018 1064 E CA -0.437 55.921 56.400 -0.070 0.000 0.817 1064 E CB 0.462 30.155 29.700 -0.011 0.000 1.078 1064 E HN 0.478 nan 8.360 nan 0.000 0.396 1065 L N 3.773 124.825 121.223 -0.285 0.000 2.380 1065 L HA 0.133 4.474 4.340 0.002 0.000 0.273 1065 L C 0.706 177.384 176.870 -0.320 0.000 1.138 1065 L CA -0.308 54.310 54.840 -0.369 0.000 0.832 1065 L CB 1.155 42.869 42.059 -0.575 0.000 1.124 1065 L HN 0.609 nan 8.230 nan 0.000 0.454 1066 S N 1.429 116.979 115.700 -0.249 0.000 2.632 1066 S HA 0.059 4.530 4.470 0.002 0.000 0.267 1066 S C 0.711 175.155 174.600 -0.259 0.000 1.276 1066 S CA -0.632 57.455 58.200 -0.188 0.000 0.998 1066 S CB 1.407 64.539 63.200 -0.113 0.000 0.953 1066 S HN 0.695 nan 8.310 nan 0.000 0.547 1067 Q N 0.885 120.590 119.800 -0.160 0.000 2.152 1067 Q HA -0.150 4.191 4.340 0.002 0.000 0.206 1067 Q C 2.080 178.005 176.000 -0.124 0.000 0.985 1067 Q CA 2.188 57.915 55.803 -0.126 0.000 0.863 1067 Q CB -0.803 27.967 28.738 0.055 0.000 0.904 1067 Q HN 0.829 nan 8.270 nan 0.000 0.422 1068 S N 0.446 116.090 115.700 -0.094 0.000 2.355 1068 S HA -0.098 4.373 4.470 0.002 0.000 0.222 1068 S C 1.620 176.166 174.600 -0.089 0.000 1.031 1068 S CA 1.197 59.356 58.200 -0.069 0.000 0.993 1068 S CB -0.119 63.050 63.200 -0.053 0.000 0.859 1068 S HN 0.484 nan 8.310 nan 0.000 0.453 1069 N N 1.475 120.093 118.700 -0.136 0.000 2.104 1069 N HA -0.056 4.685 4.740 0.002 0.000 0.190 1069 N C 1.857 177.277 175.510 -0.150 0.000 1.024 1069 N CA 1.590 54.549 53.050 -0.152 0.000 0.853 1069 N CB -0.556 37.794 38.487 -0.229 0.000 1.008 1069 N HN 0.466 nan 8.380 nan 0.000 0.424 1070 I N 1.164 121.597 120.570 -0.228 0.000 2.142 1070 I HA -0.244 3.927 4.170 0.002 0.000 0.240 1070 I C 2.506 178.630 176.117 0.012 0.000 1.078 1070 I CA 1.148 62.334 61.300 -0.189 0.000 1.343 1070 I CB -0.235 37.453 38.000 -0.519 0.000 1.046 1070 I HN 0.055 nan 8.210 nan 0.000 0.405 1071 E N 1.298 121.489 120.200 -0.016 0.000 2.085 1071 E HA -0.291 4.060 4.350 0.002 0.000 0.194 1071 E C 2.003 178.673 176.600 0.116 0.000 0.994 1071 E CA 1.655 58.103 56.400 0.081 0.000 0.801 1071 E CB -0.168 29.557 29.700 0.042 0.000 0.743 1071 E HN 0.446 nan 8.360 nan 0.000 0.453 1072 E N -0.306 119.917 120.200 0.038 0.000 2.106 1072 E HA -0.180 4.171 4.350 0.002 0.000 0.192 1072 E C 2.206 178.816 176.600 0.016 0.000 0.984 1072 E CA 0.721 57.131 56.400 0.017 0.000 0.806 1072 E CB -0.053 29.638 29.700 -0.015 0.000 0.750 1072 E HN 0.133 nan 8.360 nan 0.000 0.458 1073 R N -0.656 119.862 120.500 0.030 0.000 2.090 1073 R HA -0.161 4.180 4.340 0.002 0.000 0.228 1073 R C 2.278 178.515 176.300 -0.105 0.000 1.110 1073 R CA 1.155 57.262 56.100 0.012 0.000 0.973 1073 R CB -0.298 30.065 30.300 0.105 0.000 0.869 1073 R HN 0.234 nan 8.270 nan 0.000 0.440 1074 Y N 1.561 121.720 120.300 -0.235 0.000 2.128 1074 Y HA -0.214 4.337 4.550 0.002 0.000 0.284 1074 Y C 1.644 177.510 175.900 -0.056 0.000 1.154 1074 Y CA 1.782 59.681 58.100 -0.336 0.000 1.149 1074 Y CB -0.061 38.369 38.460 -0.050 0.000 0.976 1074 Y HN -0.070 nan 8.280 nan 0.000 0.505 1075 K N -0.088 120.252 120.400 -0.099 0.000 2.057 1075 K HA -0.134 4.187 4.320 0.002 0.000 0.206 1075 K C 2.170 178.707 176.600 -0.105 0.000 1.050 1075 K CA 1.826 58.014 56.287 -0.165 0.000 0.935 1075 K CB -0.297 32.170 32.500 -0.055 0.000 0.715 1075 K HN 0.367 nan 8.250 nan 0.000 0.439 1076 I N 1.386 121.916 120.570 -0.067 0.000 2.226 1076 I HA -0.285 3.887 4.170 0.002 0.000 0.245 1076 I C 2.233 178.333 176.117 -0.028 0.000 1.100 1076 I CA 1.397 62.667 61.300 -0.048 0.000 1.374 1076 I CB -0.112 37.858 38.000 -0.051 0.000 1.057 1076 I HN 0.219 nan 8.210 nan 0.000 0.413 1077 Q N -0.399 119.384 119.800 -0.029 0.000 2.389 1077 Q HA -0.040 4.301 4.340 0.002 0.000 0.204 1077 Q C 2.217 178.124 176.000 -0.155 0.000 0.944 1077 Q CA 0.851 56.662 55.803 0.015 0.000 0.908 1077 Q CB 0.164 29.038 28.738 0.227 0.000 1.002 1077 Q HN 0.377 nan 8.270 nan 0.000 0.493 1078 S N 0.055 115.664 115.700 -0.152 0.000 2.436 1078 S HA -0.055 4.416 4.470 0.002 0.000 0.228 1078 S C 0.293 174.753 174.600 -0.233 0.000 1.014 1078 S CA -0.014 58.035 58.200 -0.253 0.000 0.950 1078 S CB -0.115 62.894 63.200 -0.318 0.000 0.784 1078 S HN 0.372 nan 8.310 nan 0.000 0.504 1079 Y N 3.604 123.758 120.300 -0.242 0.000 2.597 1079 Y HA 0.294 4.844 4.550 0.001 0.000 0.336 1079 Y C 0.305 176.015 175.900 -0.317 0.000 1.216 1079 Y CA 0.042 57.996 58.100 -0.244 0.000 1.463 1079 Y CB 0.327 38.672 38.460 -0.191 0.000 1.303 1079 Y HN 0.165 nan 8.280 nan 0.000 0.576 1080 S N 3.217 117.898 115.700 -1.698 0.000 2.578 1080 S HA 0.264 4.735 4.470 0.002 0.000 0.272 1080 S C -0.249 173.491 174.600 -1.434 0.000 1.145 1080 S CA -0.954 56.354 58.200 -1.488 0.000 0.835 1080 S CB 1.447 63.630 63.200 -1.694 0.000 1.104 1080 S HN 0.687 nan 8.310 nan 0.000 0.458 1081 E N 0.159 119.808 120.200 -0.917 0.000 2.112 1081 E HA 0.023 4.374 4.350 0.002 0.000 0.190 1081 E C 0.440 176.808 176.600 -0.386 0.000 0.979 1081 E CA 1.085 57.208 56.400 -0.461 0.000 0.814 1081 E CB -0.235 29.358 29.700 -0.178 0.000 0.762 1081 E HN 0.788 nan 8.360 nan 0.000 0.460 1082 Y N 0.422 120.585 120.300 -0.228 0.000 2.299 1082 Y HA 0.435 4.986 4.550 0.000 0.000 0.335 1082 Y C 0.467 176.242 175.900 -0.208 0.000 1.287 1082 Y CA -1.079 56.906 58.100 -0.192 0.000 1.424 1082 Y CB 0.051 38.412 38.460 -0.166 0.000 1.326 1082 Y HN -0.274 nan 8.280 nan 0.000 0.567 1083 L N 2.243 123.518 121.223 0.086 0.000 2.431 1083 L HA 0.412 4.753 4.340 0.002 0.000 0.260 1083 L C 0.160 177.107 176.870 0.128 0.000 1.098 1083 L CA -1.001 53.854 54.840 0.026 0.000 0.800 1083 L CB 0.635 42.670 42.059 -0.040 0.000 1.210 1083 L HN 0.611 nan 8.230 nan 0.000 0.465 1084 K N 0.290 120.735 120.400 0.075 0.000 2.245 1084 K HA 0.449 4.770 4.320 0.002 0.000 0.234 1084 K C -1.095 175.477 176.600 -0.047 0.000 1.021 1084 K CA -0.800 55.499 56.287 0.019 0.000 0.898 1084 K CB 1.318 33.829 32.500 0.018 0.000 1.163 1084 K HN 0.606 nan 8.250 nan 0.000 0.459 1085 D N -1.338 118.990 120.400 -0.121 0.000 2.494 1085 D HA 0.117 4.759 4.640 0.002 0.000 0.259 1085 D C 0.954 177.149 176.300 -0.175 0.000 1.109 1085 D CA -0.727 53.207 54.000 -0.111 0.000 1.040 1085 D CB 0.073 40.839 40.800 -0.057 0.000 1.175 1085 D HN 0.361 nan 8.370 nan 0.000 0.584 1086 F N -0.333 119.400 119.950 -0.361 0.000 2.115 1086 F HA -0.112 4.416 4.527 0.002 0.000 0.300 1086 F C 1.426 176.906 175.800 -0.532 0.000 1.092 1086 F CA 1.445 59.125 58.000 -0.532 0.000 1.245 1086 F CB -0.099 38.365 39.000 -0.893 0.000 0.995 1086 F HN 0.405 nan 8.300 nan 0.000 0.481 1087 W N -0.360 120.946 121.300 0.010 0.000 2.800 1087 W HA 0.245 4.905 4.660 0.001 0.000 0.249 1087 W C 1.860 178.239 176.519 -0.234 0.000 1.294 1087 W CA 0.553 57.865 57.345 -0.056 0.000 1.402 1087 W CB -0.329 29.169 29.460 0.064 0.000 1.126 1087 W HN 0.234 nan 8.180 nan 0.000 0.652 1088 G N -0.332 108.177 108.800 -0.485 0.000 2.163 1088 G HA2 -0.247 3.714 3.960 0.002 0.000 0.213 1088 G HA3 -0.247 3.714 3.960 0.002 0.000 0.213 1088 G C 0.032 174.822 174.900 -0.184 0.000 0.991 1088 G CA -0.551 44.036 45.100 -0.854 0.000 0.653 1088 G HN 0.136 nan 8.290 nan 0.000 0.518 1089 N N 1.530 120.221 118.700 -0.014 0.000 2.476 1089 N HA 0.491 5.232 4.740 0.002 0.000 0.275 1089 N C -2.474 172.961 175.510 -0.126 0.000 1.190 1089 N CA -1.273 51.755 53.050 -0.036 0.000 0.977 1089 N CB 1.352 39.870 38.487 0.050 0.000 1.200 1089 N HN 0.118 nan 8.380 nan 0.000 0.515 1090 P HA -0.001 nan 4.420 nan 0.000 0.268 1090 P C -0.136 177.035 177.300 -0.215 0.000 1.205 1090 P CA -0.335 62.512 63.100 -0.423 0.000 0.771 1090 P CB 0.635 31.693 31.700 -1.069 0.000 0.858 1091 L N 4.141 125.266 121.223 -0.162 0.000 2.416 1091 L HA 0.211 4.552 4.340 0.002 0.000 0.272 1091 L C 0.274 177.053 176.870 -0.152 0.000 1.161 1091 L CA 0.728 55.477 54.840 -0.151 0.000 0.845 1091 L CB -0.118 41.802 42.059 -0.232 0.000 1.119 1091 L HN 0.305 nan 8.230 nan 0.000 0.464 1092 M N 4.167 123.762 119.600 -0.009 0.000 2.602 1092 M HA 0.334 4.815 4.480 0.002 0.000 0.312 1092 M C -0.746 175.488 176.300 -0.110 0.000 1.181 1092 M CA -0.497 54.766 55.300 -0.061 0.000 0.910 1092 M CB 1.514 34.115 32.600 0.001 0.000 1.723 1092 M HN 0.361 nan 8.290 nan 0.000 0.459 1093 Y N 1.131 121.424 120.300 -0.011 0.000 2.316 1093 Y HA 0.208 4.758 4.550 0.001 0.000 0.324 1093 Y C 0.931 176.814 175.900 -0.027 0.000 1.267 1093 Y CA 0.195 58.284 58.100 -0.018 0.000 1.311 1093 Y CB 0.620 39.069 38.460 -0.019 0.000 1.267 1093 Y HN 0.749 nan 8.280 nan 0.000 0.516 1094 N N 0.964 119.765 118.700 0.167 0.000 2.727 1094 N HA -0.256 4.485 4.740 0.002 0.000 0.249 1094 N C -0.826 174.680 175.510 -0.007 0.000 1.048 1094 N CA 0.940 54.040 53.050 0.083 0.000 0.714 1094 N CB -0.925 37.612 38.487 0.084 0.000 0.959 1094 N HN 0.586 nan 8.380 nan 0.000 0.544 1095 K N 0.836 121.168 120.400 -0.113 0.000 2.507 1095 K HA 0.237 4.558 4.320 0.002 0.000 0.251 1095 K C -0.624 175.680 176.600 -0.493 0.000 0.943 1095 K CA -0.544 55.550 56.287 -0.321 0.000 0.794 1095 K CB 1.607 33.823 32.500 -0.472 0.000 1.188 1095 K HN 0.033 nan 8.250 nan 0.000 0.428 1096 E N 3.200 123.216 120.200 -0.307 0.000 2.376 1096 E HA 0.045 4.396 4.350 0.002 0.000 0.266 1096 E C -1.040 175.366 176.600 -0.323 0.000 1.009 1096 E CA 0.391 56.677 56.400 -0.191 0.000 0.902 1096 E CB 0.466 30.114 29.700 -0.086 0.000 0.972 1096 E HN 0.388 nan 8.360 nan 0.000 0.439 1097 Y N 1.004 121.343 120.300 0.065 0.000 2.504 1097 Y HA 0.270 4.821 4.550 0.001 0.000 0.344 1097 Y C -0.713 175.270 175.900 0.138 0.000 1.023 1097 Y CA -1.212 56.984 58.100 0.160 0.000 1.020 1097 Y CB 1.291 39.958 38.460 0.345 0.000 1.282 1097 Y HN 0.434 nan 8.280 nan 0.000 0.454 1098 Y N 1.824 122.401 120.300 0.463 0.000 2.354 1098 Y HA 0.519 5.070 4.550 0.002 0.000 0.322 1098 Y C 0.086 176.140 175.900 0.256 0.000 1.253 1098 Y CA -0.742 57.576 58.100 0.363 0.000 1.272 1098 Y CB 1.028 39.621 38.460 0.222 0.000 1.255 1098 Y HN 0.357 nan 8.280 nan 0.000 0.500 1099 M N 2.808 122.606 119.600 0.330 0.000 2.336 1099 M HA 0.310 4.791 4.480 0.002 0.000 0.342 1099 M C -1.328 175.092 176.300 0.200 0.000 1.128 1099 M CA -0.504 54.813 55.300 0.028 0.000 1.016 1099 M CB 1.259 33.625 32.600 -0.389 0.000 1.665 1099 M HN 0.569 nan 8.290 nan 0.000 0.445 1100 F N 3.307 123.258 119.950 0.002 0.000 2.492 1100 F HA 0.531 5.059 4.527 0.002 0.000 0.327 1100 F C -0.719 175.126 175.800 0.075 0.000 1.079 1100 F CA -0.742 57.273 58.000 0.026 0.000 0.967 1100 F CB 1.199 40.170 39.000 -0.048 0.000 1.169 1100 F HN 0.484 nan 8.300 nan 0.000 0.472 1101 N N 3.708 121.805 118.700 -1.005 0.000 2.442 1101 N HA 0.358 5.099 4.740 0.002 0.000 0.274 1101 N C 0.091 174.845 175.510 -1.260 0.000 1.002 1101 N CA 0.137 52.544 53.050 -1.072 0.000 0.910 1101 N CB 2.082 40.016 38.487 -0.921 0.000 1.244 1101 N HN 0.867 nan 8.380 nan 0.000 0.492 1102 A N 2.716 125.033 122.820 -0.839 0.000 2.070 1102 A HA 0.013 4.334 4.320 0.002 0.000 0.220 1102 A C 1.653 179.042 177.584 -0.326 0.000 1.159 1102 A CA 1.770 53.542 52.037 -0.443 0.000 0.656 1102 A CB -0.352 18.561 19.000 -0.144 0.000 0.800 1102 A HN 0.700 nan 8.150 nan 0.000 0.453 1103 G N -1.280 107.291 108.800 -0.383 0.000 2.744 1103 G HA2 0.141 4.102 3.960 0.002 0.000 0.211 1103 G HA3 0.141 4.102 3.960 0.002 0.000 0.211 1103 G C 0.188 174.957 174.900 -0.219 0.000 1.146 1103 G CA 0.188 45.144 45.100 -0.240 0.000 0.787 1103 G HN 0.510 nan 8.290 nan 0.000 0.534 1104 N N -0.041 118.471 118.700 -0.312 0.000 2.733 1104 N HA 0.245 4.986 4.740 0.002 0.000 0.271 1104 N C 0.936 176.304 175.510 -0.237 0.000 1.720 1104 N CA -0.350 52.569 53.050 -0.218 0.000 0.803 1104 N CB 1.246 39.620 38.487 -0.188 0.000 1.208 1104 N HN 0.017 nan 8.380 nan 0.000 0.498 1105 K N 0.170 120.466 120.400 -0.174 0.000 2.052 1105 K HA -0.135 4.186 4.320 0.002 0.000 0.215 1105 K C 0.316 176.991 176.600 0.126 0.000 1.053 1105 K CA 1.166 57.448 56.287 -0.009 0.000 0.934 1105 K CB -0.000 32.603 32.500 0.172 0.000 0.717 1105 K HN 0.327 nan 8.250 nan 0.000 0.450 1106 N N 0.804 119.558 118.700 0.090 0.000 2.389 1106 N HA 0.052 4.793 4.740 0.002 0.000 0.237 1106 N C -0.829 174.747 175.510 0.110 0.000 1.148 1106 N CA 0.218 53.343 53.050 0.126 0.000 0.854 1106 N CB 0.726 39.276 38.487 0.105 0.000 1.115 1106 N HN -0.002 nan 8.380 nan 0.000 0.492 1107 S N 0.267 116.010 115.700 0.072 0.000 2.566 1107 S HA 0.664 5.135 4.470 0.002 0.000 0.298 1107 S C -0.767 173.916 174.600 0.138 0.000 1.083 1107 S CA -0.725 57.493 58.200 0.030 0.000 0.978 1107 S CB 1.565 64.736 63.200 -0.048 0.000 1.073 1107 S HN 0.386 nan 8.310 nan 0.000 0.491 1108 Y N -1.006 119.316 120.300 0.036 0.000 2.625 1108 Y HA 0.780 5.331 4.550 0.002 0.000 0.338 1108 Y C -1.550 174.373 175.900 0.037 0.000 1.123 1108 Y CA -1.490 56.648 58.100 0.064 0.000 1.046 1108 Y CB 0.495 39.003 38.460 0.080 0.000 1.299 1108 Y HN 0.496 nan 8.280 nan 0.000 0.464 1109 I N 2.671 123.365 120.570 0.205 0.000 2.385 1109 I HA 0.482 4.653 4.170 0.002 0.000 0.294 1109 I C -0.425 175.742 176.117 0.083 0.000 0.988 1109 I CA -0.736 60.566 61.300 0.004 0.000 1.265 1109 I CB 1.681 39.556 38.000 -0.208 0.000 1.388 1109 I HN 0.655 nan 8.210 nan 0.000 0.480 1110 K N 5.838 126.214 120.400 -0.040 0.000 2.498 1110 K HA 0.429 4.751 4.320 0.002 0.000 0.254 1110 K C -1.531 175.034 176.600 -0.057 0.000 0.933 1110 K CA -0.897 55.388 56.287 -0.002 0.000 0.806 1110 K CB 2.250 34.787 32.500 0.061 0.000 1.301 1110 K HN 0.437 nan 8.250 nan 0.000 0.432 1111 L N 3.569 124.762 121.223 -0.051 0.000 2.462 1111 L HA 0.219 4.560 4.340 0.002 0.000 0.272 1111 L C -0.136 176.756 176.870 0.036 0.000 1.166 1111 L CA 0.592 55.433 54.840 0.003 0.000 0.880 1111 L CB 0.396 42.494 42.059 0.064 0.000 1.142 1111 L HN 0.630 nan 8.230 nan 0.000 0.473 1112 K N 4.314 124.754 120.400 0.067 0.000 2.350 1112 K HA 0.016 4.337 4.320 0.002 0.000 0.279 1112 K C 1.076 177.721 176.600 0.075 0.000 1.027 1112 K CA 0.023 56.349 56.287 0.065 0.000 0.969 1112 K CB 0.811 33.373 32.500 0.103 0.000 0.954 1112 K HN 0.774 nan 8.250 nan 0.000 0.474 1113 K N 2.858 123.289 120.400 0.053 0.000 2.015 1113 K HA -0.219 4.102 4.320 0.002 0.000 0.216 1113 K C 1.030 177.674 176.600 0.073 0.000 1.052 1113 K CA 2.419 58.738 56.287 0.053 0.000 0.937 1113 K CB -0.008 32.513 32.500 0.036 0.000 0.719 1113 K HN 0.834 nan 8.250 nan 0.000 0.446 1114 D N -0.824 119.619 120.400 0.072 0.000 2.349 1114 D HA 0.011 4.652 4.640 0.002 0.000 0.214 1114 D C -0.278 176.079 176.300 0.096 0.000 1.063 1114 D CA -0.045 54.002 54.000 0.079 0.000 0.847 1114 D CB 0.507 41.344 40.800 0.062 0.000 0.933 1114 D HN -0.056 nan 8.370 nan 0.000 0.513 1115 S N 1.269 117.037 115.700 0.112 0.000 2.542 1115 S HA 0.397 4.868 4.470 0.002 0.000 0.293 1115 S C -2.515 172.180 174.600 0.159 0.000 1.089 1115 S CA -1.088 57.189 58.200 0.129 0.000 0.961 1115 S CB 2.465 65.737 63.200 0.120 0.000 1.062 1115 S HN 0.008 nan 8.310 nan 0.000 0.483 1116 P HA 0.157 nan 4.420 nan 0.000 0.226 1116 P C -0.408 176.971 177.300 0.131 0.000 1.758 1116 P CA 0.041 63.205 63.100 0.106 0.000 0.896 1116 P CB -0.545 31.170 31.700 0.024 0.000 1.784 1117 V N -3.487 116.536 119.914 0.181 0.000 3.130 1117 V HA 0.937 5.058 4.120 0.002 0.000 0.310 1117 V C -0.144 176.076 176.094 0.210 0.000 1.158 1117 V CA -1.176 61.257 62.300 0.222 0.000 1.029 1117 V CB 1.814 33.781 31.823 0.240 0.000 1.057 1117 V HN 0.085 nan 8.190 nan 0.000 0.436 1118 G N 1.875 110.832 108.800 0.262 0.000 2.428 1118 G HA2 0.588 4.549 3.960 0.002 0.000 0.320 1118 G HA3 0.588 4.549 3.960 0.002 0.000 0.320 1118 G C -0.255 174.720 174.900 0.124 0.000 1.098 1118 G CA -0.346 44.836 45.100 0.137 0.000 0.984 1118 G HN 1.038 nan 8.290 nan 0.000 0.444 1119 E N 1.936 122.119 120.200 -0.028 0.000 2.345 1119 E HA 0.449 4.800 4.350 0.002 0.000 0.259 1119 E C -0.489 175.971 176.600 -0.233 0.000 1.117 1119 E CA -0.817 55.430 56.400 -0.255 0.000 0.913 1119 E CB 1.449 30.983 29.700 -0.278 0.000 1.057 1119 E HN 0.124 nan 8.360 nan 0.000 0.432 1120 I N 2.293 122.681 120.570 -0.303 0.000 2.355 1120 I HA 0.287 4.458 4.170 0.002 0.000 0.288 1120 I C -0.205 175.703 176.117 -0.349 0.000 0.999 1120 I CA -0.562 60.583 61.300 -0.259 0.000 1.163 1120 I CB 0.415 38.339 38.000 -0.126 0.000 1.316 1120 I HN 0.539 nan 8.210 nan 0.000 0.454 1121 L N 4.529 125.392 121.223 -0.599 0.000 2.313 1121 L HA 0.579 4.921 4.340 0.002 0.000 0.268 1121 L C 0.528 177.074 176.870 -0.540 0.000 1.010 1121 L CA -0.789 53.687 54.840 -0.606 0.000 0.814 1121 L CB 1.682 43.306 42.059 -0.725 0.000 1.304 1121 L HN 0.425 nan 8.230 nan 0.000 0.441 1122 T N 0.736 115.178 114.554 -0.187 0.000 2.856 1122 T HA 0.299 4.650 4.350 0.002 0.000 0.292 1122 T C 0.205 175.080 174.700 0.292 0.000 0.980 1122 T CA -0.515 61.601 62.100 0.027 0.000 1.091 1122 T CB 0.537 69.427 68.868 0.038 0.000 0.936 1122 T HN 0.384 nan 8.240 nan 0.000 0.503 1123 R N 1.999 122.722 120.500 0.371 0.000 2.623 1123 R HA 0.218 4.559 4.340 0.002 0.000 0.271 1123 R C 0.926 177.349 176.300 0.204 0.000 1.043 1123 R CA -0.256 56.058 56.100 0.357 0.000 1.083 1123 R CB 0.304 30.745 30.300 0.234 0.000 0.974 1123 R HN 0.762 nan 8.270 nan 0.000 0.436 1124 S N 2.044 117.824 115.700 0.134 0.000 2.603 1124 S HA 0.258 4.729 4.470 0.002 0.000 0.268 1124 S C -0.094 174.556 174.600 0.083 0.000 1.317 1124 S CA -0.758 57.495 58.200 0.089 0.000 1.012 1124 S CB 1.132 64.365 63.200 0.056 0.000 0.926 1124 S HN 0.642 nan 8.310 nan 0.000 0.539 1125 K N -0.252 120.174 120.400 0.043 0.000 2.346 1125 K HA 0.381 4.702 4.320 0.002 0.000 0.238 1125 K C -1.034 175.512 176.600 -0.091 0.000 1.039 1125 K CA -1.095 55.195 56.287 0.005 0.000 0.861 1125 K CB 0.402 32.908 32.500 0.010 0.000 1.278 1125 K HN 0.538 nan 8.250 nan 0.000 0.460 1126 Y N 2.339 122.365 120.300 -0.457 0.000 2.887 1126 Y HA -0.148 4.403 4.550 0.002 0.000 0.350 1126 Y C 0.421 176.196 175.900 -0.209 0.000 1.294 1126 Y CA 0.506 58.272 58.100 -0.556 0.000 1.622 1126 Y CB -0.160 37.807 38.460 -0.823 0.000 1.201 1126 Y HN 0.663 nan 8.280 nan 0.000 0.546 1127 N N 3.813 122.185 118.700 -0.547 0.000 2.182 1127 N HA -0.090 4.651 4.740 0.002 0.000 0.186 1127 N C 0.167 175.277 175.510 -0.667 0.000 1.036 1127 N CA 0.805 53.574 53.050 -0.469 0.000 0.850 1127 N CB -0.141 38.216 38.487 -0.216 0.000 1.010 1127 N HN 0.766 nan 8.380 nan 0.000 0.432 1128 Q N 1.221 120.591 119.800 -0.717 0.000 2.730 1128 Q HA -0.046 4.295 4.340 0.002 0.000 0.255 1128 Q C 0.105 175.739 176.000 -0.609 0.000 1.155 1128 Q CA 0.391 55.909 55.803 -0.475 0.000 1.035 1128 Q CB 0.119 28.782 28.738 -0.125 0.000 1.335 1128 Q HN 0.447 nan 8.270 nan 0.000 0.556 1129 N N -0.537 118.072 118.700 -0.152 0.000 2.459 1129 N HA 0.536 5.277 4.740 0.002 0.000 0.288 1129 N C -1.166 174.461 175.510 0.195 0.000 1.186 1129 N CA -0.614 52.430 53.050 -0.010 0.000 0.917 1129 N CB 2.253 40.727 38.487 -0.021 0.000 1.219 1129 N HN 0.523 nan 8.380 nan 0.000 0.525 1130 S N -0.970 114.847 115.700 0.194 0.000 2.804 1130 S HA 0.039 4.510 4.470 0.002 0.000 0.296 1130 S C -0.248 174.381 174.600 0.047 0.000 0.865 1130 S CA -0.606 57.689 58.200 0.159 0.000 0.809 1130 S CB -0.007 63.338 63.200 0.240 0.000 1.011 1130 S HN 0.833 nan 8.310 nan 0.000 0.495 1131 K N 2.336 122.642 120.400 -0.157 0.000 2.459 1131 K HA 0.128 4.449 4.320 0.002 0.000 0.193 1131 K C 0.624 176.998 176.600 -0.377 0.000 1.030 1131 K CA 0.772 56.880 56.287 -0.298 0.000 1.026 1131 K CB -0.243 32.001 32.500 -0.427 0.000 0.809 1131 K HN 0.642 nan 8.250 nan 0.000 0.504 1132 Y N 1.929 122.200 120.300 -0.049 0.000 2.479 1132 Y HA 0.249 4.800 4.550 0.002 0.000 0.283 1132 Y C 1.366 177.173 175.900 -0.155 0.000 1.109 1132 Y CA -0.694 57.347 58.100 -0.098 0.000 1.239 1132 Y CB 0.281 38.664 38.460 -0.130 0.000 1.108 1132 Y HN 0.077 nan 8.280 nan 0.000 0.548 1133 I N -1.278 119.240 120.570 -0.087 0.000 2.750 1133 I HA 0.512 4.683 4.170 0.002 0.000 0.308 1133 I C -0.723 175.289 176.117 -0.176 0.000 1.016 1133 I CA -0.957 60.204 61.300 -0.231 0.000 1.098 1133 I CB 2.331 39.997 38.000 -0.556 0.000 1.279 1133 I HN 0.040 nan 8.210 nan 0.000 0.454 1134 N N 2.915 121.586 118.700 -0.048 0.000 2.846 1134 N HA 0.352 5.093 4.740 0.002 0.000 0.248 1134 N C -2.144 173.484 175.510 0.197 0.000 1.097 1134 N CA -0.282 52.789 53.050 0.035 0.000 1.013 1134 N CB 2.371 40.916 38.487 0.098 0.000 1.686 1134 N HN 0.871 nan 8.380 nan 0.000 0.520 1135 Y N -0.107 120.335 120.300 0.237 0.000 2.779 1135 Y HA 0.588 5.139 4.550 0.002 0.000 0.340 1135 Y C -1.763 174.291 175.900 0.257 0.000 1.252 1135 Y CA -1.107 57.158 58.100 0.274 0.000 1.072 1135 Y CB 0.606 39.292 38.460 0.377 0.000 1.343 1135 Y HN 0.271 nan 8.280 nan 0.000 0.450 1136 R N 1.348 122.158 120.500 0.517 0.000 2.532 1136 R HA 0.332 4.673 4.340 0.002 0.000 0.295 1136 R C -1.256 175.309 176.300 0.441 0.000 0.968 1136 R CA -0.889 55.416 56.100 0.342 0.000 0.916 1136 R CB 1.438 31.869 30.300 0.219 0.000 1.124 1136 R HN 0.796 nan 8.270 nan 0.000 0.463 1137 D N 2.125 122.704 120.400 0.299 0.000 2.423 1137 D HA 0.038 4.679 4.640 0.002 0.000 0.238 1137 D C 1.219 177.478 176.300 -0.068 0.000 1.142 1137 D CA 0.192 54.309 54.000 0.195 0.000 0.884 1137 D CB 1.195 42.054 40.800 0.098 0.000 1.199 1137 D HN 0.355 nan 8.370 nan 0.000 0.438 1138 L N 0.760 121.806 121.223 -0.295 0.000 2.577 1138 L HA 0.039 4.380 4.340 0.002 0.000 0.225 1138 L C 0.557 177.092 176.870 -0.559 0.000 1.053 1138 L CA 0.069 54.579 54.840 -0.550 0.000 0.866 1138 L CB 0.078 41.538 42.059 -1.000 0.000 1.132 1138 L HN 0.313 nan 8.230 nan 0.000 0.486 1139 Y N 1.879 121.868 120.300 -0.520 0.000 2.851 1139 Y HA 0.372 4.923 4.550 0.002 0.000 0.369 1139 Y C 0.130 175.401 175.900 -1.048 0.000 1.226 1139 Y CA -0.547 56.844 58.100 -1.181 0.000 1.949 1139 Y CB -0.663 37.458 38.460 -0.566 0.000 2.059 1139 Y HN 0.043 nan 8.280 nan 0.000 0.420 1140 I N -0.720 119.443 120.570 -0.678 0.000 3.042 1140 I HA 0.822 4.993 4.170 0.002 0.000 0.310 1140 I C 0.432 176.476 176.117 -0.122 0.000 1.117 1140 I CA -0.298 60.767 61.300 -0.391 0.000 1.003 1140 I CB 2.063 39.714 38.000 -0.582 0.000 1.228 1140 I HN 0.477 nan 8.210 nan 0.000 0.443 1141 G N 4.148 112.889 108.800 -0.098 0.000 2.698 1141 G HA2 -0.130 3.831 3.960 0.002 0.000 0.225 1141 G HA3 -0.130 3.831 3.960 0.002 0.000 0.225 1141 G C -0.877 174.175 174.900 0.254 0.000 1.345 1141 G CA -0.675 44.558 45.100 0.222 0.000 0.871 1141 G HN 0.684 nan 8.290 nan 0.000 0.540 1142 E N 0.658 120.924 120.200 0.111 0.000 2.398 1142 E HA 0.221 4.573 4.350 0.002 0.000 0.263 1142 E C 0.427 176.913 176.600 -0.190 0.000 1.046 1142 E CA 0.196 56.516 56.400 -0.134 0.000 0.908 1142 E CB 0.533 29.893 29.700 -0.567 0.000 0.963 1142 E HN 0.470 nan 8.360 nan 0.000 0.431 1143 K N 2.593 122.876 120.400 -0.195 0.000 2.263 1143 K HA 0.260 4.581 4.320 0.002 0.000 0.282 1143 K C -0.393 176.122 176.600 -0.143 0.000 1.089 1143 K CA -0.200 55.957 56.287 -0.217 0.000 0.907 1143 K CB 0.299 32.748 32.500 -0.085 0.000 1.148 1143 K HN 0.219 nan 8.250 nan 0.000 0.470 1144 F N 2.405 122.386 119.950 0.053 0.000 2.380 1144 F HA 0.533 5.061 4.527 0.002 0.000 0.319 1144 F C 0.428 176.265 175.800 0.062 0.000 1.113 1144 F CA -0.918 57.145 58.000 0.104 0.000 1.056 1144 F CB 0.841 39.958 39.000 0.195 0.000 1.289 1144 F HN 0.325 nan 8.300 nan 0.000 0.515 1145 I N 1.731 122.428 120.570 0.213 0.000 2.649 1145 I HA 0.362 4.533 4.170 0.002 0.000 0.289 1145 I C -1.447 174.728 176.117 0.096 0.000 1.222 1145 I CA -0.423 60.932 61.300 0.092 0.000 1.046 1145 I CB 1.302 39.295 38.000 -0.012 0.000 1.272 1145 I HN 0.380 nan 8.210 nan 0.000 0.425 1146 I N 7.190 127.802 120.570 0.070 0.000 2.352 1146 I HA 0.379 4.550 4.170 0.002 0.000 0.290 1146 I C -0.114 176.151 176.117 0.246 0.000 1.036 1146 I CA -0.607 60.735 61.300 0.070 0.000 1.336 1146 I CB 0.470 38.380 38.000 -0.150 0.000 1.407 1146 I HN 0.364 nan 8.210 nan 0.000 0.497 1147 R N 5.861 126.523 120.500 0.270 0.000 2.532 1147 R HA 0.481 4.823 4.340 0.002 0.000 0.295 1147 R C -0.176 176.232 176.300 0.179 0.000 0.968 1147 R CA -0.929 55.324 56.100 0.255 0.000 0.916 1147 R CB 1.659 32.102 30.300 0.238 0.000 1.124 1147 R HN 0.620 nan 8.270 nan 0.000 0.463 1148 R N 1.055 121.446 120.500 -0.181 0.000 2.707 1148 R HA 0.026 4.367 4.340 0.002 0.000 0.270 1148 R C 0.709 176.866 176.300 -0.239 0.000 1.083 1148 R CA 0.009 55.800 56.100 -0.514 0.000 1.182 1148 R CB 0.671 30.442 30.300 -0.881 0.000 1.084 1148 R HN 0.452 nan 8.270 nan 0.000 0.528 1149 K N 0.541 120.787 120.400 -0.257 0.000 2.230 1149 K HA 0.144 4.465 4.320 0.002 0.000 0.219 1149 K C 0.645 177.176 176.600 -0.115 0.000 1.033 1149 K CA 0.473 56.599 56.287 -0.268 0.000 0.937 1149 K CB -0.260 32.070 32.500 -0.283 0.000 1.018 1149 K HN 0.436 nan 8.250 nan 0.000 0.463 1150 S N 1.134 116.781 115.700 -0.088 0.000 2.625 1150 S HA 0.104 4.575 4.470 0.002 0.000 0.262 1150 S C -1.097 173.474 174.600 -0.049 0.000 1.223 1150 S CA 0.159 58.331 58.200 -0.047 0.000 0.993 1150 S CB -0.279 62.903 63.200 -0.031 0.000 1.051 1150 S HN 0.648 nan 8.310 nan 0.000 0.562 1151 N N 0.899 119.582 118.700 -0.028 0.000 2.536 1151 N HA -0.165 4.576 4.740 0.002 0.000 0.299 1151 N C -0.023 175.471 175.510 -0.027 0.000 1.309 1151 N CA 0.790 53.825 53.050 -0.025 0.000 0.696 1151 N CB -1.647 36.821 38.487 -0.033 0.000 0.965 1151 N HN 0.661 nan 8.380 nan 0.000 0.530 1152 S N -1.378 114.317 115.700 -0.008 0.000 3.054 1152 S HA 0.045 4.516 4.470 0.002 0.000 0.243 1152 S C 1.320 175.917 174.600 -0.005 0.000 1.013 1152 S CA 0.703 58.903 58.200 -0.000 0.000 1.119 1152 S CB -0.266 62.942 63.200 0.013 0.000 0.838 1152 S HN 0.928 nan 8.310 nan 0.000 0.505 1153 Q N 0.889 120.680 119.800 -0.016 0.000 2.634 1153 Q HA 0.515 4.857 4.340 0.002 0.000 0.222 1153 Q C 0.690 176.682 176.000 -0.014 0.000 1.004 1153 Q CA 0.384 56.179 55.803 -0.013 0.000 0.965 1153 Q CB -1.739 26.988 28.738 -0.018 0.000 1.586 1153 Q HN 0.754 nan 8.270 nan 0.000 0.409 1154 S N -0.851 114.846 115.700 -0.006 0.000 3.654 1154 S HA -0.208 4.263 4.470 0.002 0.000 0.640 1154 S C 0.560 175.156 174.600 -0.007 0.000 2.223 1154 S CA 0.585 58.785 58.200 -0.001 0.000 2.391 1154 S CB -0.930 62.272 63.200 0.002 0.000 0.328 1154 S HN 1.662 nan 8.310 nan 0.000 1.790 1155 I N -1.925 118.648 120.570 0.005 0.000 2.997 1155 I HA 0.513 4.684 4.170 0.002 0.000 0.329 1155 I C 0.775 176.903 176.117 0.018 0.000 1.367 1155 I CA -0.126 61.179 61.300 0.009 0.000 0.902 1155 I CB -0.503 37.516 38.000 0.030 0.000 2.104 1155 I HN 0.635 nan 8.210 nan 0.000 0.581 1156 N N 2.362 121.068 118.700 0.010 0.000 2.093 1156 N HA 0.049 4.790 4.740 0.002 0.000 0.191 1156 N C 0.547 176.072 175.510 0.025 0.000 1.062 1156 N CA 1.638 54.696 53.050 0.014 0.000 0.854 1156 N CB -0.162 38.330 38.487 0.008 0.000 1.043 1156 N HN 0.651 nan 8.380 nan 0.000 0.438 1157 D N -2.997 117.422 120.400 0.030 0.000 2.764 1157 D HA 0.533 5.175 4.640 0.002 0.000 0.293 1157 D C -1.912 174.434 176.300 0.076 0.000 1.287 1157 D CA -0.292 53.743 54.000 0.058 0.000 0.768 1157 D CB 2.146 42.964 40.800 0.031 0.000 1.288 1157 D HN 0.484 nan 8.370 nan 0.000 0.426 1158 D N -1.011 119.465 120.400 0.127 0.000 3.105 1158 D HA 0.198 4.839 4.640 0.002 0.000 0.297 1158 D C -1.455 174.954 176.300 0.181 0.000 1.148 1158 D CA -0.514 53.573 54.000 0.146 0.000 0.721 1158 D CB 0.538 41.427 40.800 0.148 0.000 1.295 1158 D HN 0.238 nan 8.370 nan 0.000 0.457 1159 I N 1.097 121.738 120.570 0.119 0.000 2.428 1159 I HA 0.371 4.542 4.170 0.002 0.000 0.289 1159 I C 0.030 176.167 176.117 0.032 0.000 1.019 1159 I CA -0.869 60.437 61.300 0.011 0.000 1.351 1159 I CB 1.333 39.314 38.000 -0.033 0.000 1.412 1159 I HN 0.097 nan 8.210 nan 0.000 0.513 1160 V N 7.122 126.908 119.914 -0.212 0.000 2.406 1160 V HA 0.349 4.470 4.120 0.002 0.000 0.272 1160 V C 0.315 176.353 176.094 -0.093 0.000 1.043 1160 V CA -0.555 61.547 62.300 -0.331 0.000 0.915 1160 V CB 0.502 31.956 31.823 -0.616 0.000 0.988 1160 V HN 0.682 nan 8.190 nan 0.000 0.466 1161 R N 3.266 123.754 120.500 -0.020 0.000 2.604 1161 R HA 0.493 4.834 4.340 0.002 0.000 0.287 1161 R C -0.375 175.876 176.300 -0.082 0.000 0.970 1161 R CA -1.051 55.034 56.100 -0.025 0.000 0.946 1161 R CB 1.884 32.190 30.300 0.009 0.000 1.127 1161 R HN 0.604 nan 8.270 nan 0.000 0.473 1162 K N 2.482 122.812 120.400 -0.115 0.000 2.524 1162 K HA -0.130 4.191 4.320 0.002 0.000 0.279 1162 K C 0.055 176.560 176.600 -0.158 0.000 0.993 1162 K CA 0.543 56.738 56.287 -0.153 0.000 1.030 1162 K CB 0.234 32.634 32.500 -0.166 0.000 0.891 1162 K HN 0.632 nan 8.250 nan 0.000 0.488 1163 E N -0.389 119.683 120.200 -0.213 0.000 4.129 1163 E HA -0.174 4.177 4.350 0.002 0.000 0.354 1163 E C -0.704 175.679 176.600 -0.362 0.000 0.673 1163 E CA 0.932 57.169 56.400 -0.271 0.000 1.347 1163 E CB -1.184 28.404 29.700 -0.188 0.000 1.722 1163 E HN 0.702 nan 8.360 nan 0.000 0.410 1164 D N -0.096 120.155 120.400 -0.247 0.000 2.357 1164 D HA 0.220 4.861 4.640 0.002 0.000 0.242 1164 D C 0.229 176.337 176.300 -0.321 0.000 1.153 1164 D CA 0.301 54.193 54.000 -0.181 0.000 0.918 1164 D CB 0.215 41.029 40.800 0.023 0.000 1.181 1164 D HN -0.019 nan 8.370 nan 0.000 0.435 1165 Y N 0.552 120.824 120.300 -0.045 0.000 2.330 1165 Y HA 0.409 4.960 4.550 0.002 0.000 0.336 1165 Y C 0.714 176.534 175.900 -0.133 0.000 1.036 1165 Y CA -0.629 57.410 58.100 -0.101 0.000 1.125 1165 Y CB 0.905 39.296 38.460 -0.114 0.000 1.194 1165 Y HN 0.173 nan 8.280 nan 0.000 0.469 1166 I N -1.151 119.401 120.570 -0.030 0.000 3.279 1166 I HA 0.594 4.765 4.170 0.002 0.000 0.315 1166 I C -1.967 174.079 176.117 -0.117 0.000 1.187 1166 I CA -1.403 59.855 61.300 -0.070 0.000 0.953 1166 I CB 2.811 40.859 38.000 0.079 0.000 1.279 1166 I HN 0.425 nan 8.210 nan 0.000 0.465 1167 Y N 1.962 122.309 120.300 0.079 0.000 2.352 1167 Y HA 0.593 5.145 4.550 0.002 0.000 0.339 1167 Y C -0.642 175.285 175.900 0.045 0.000 0.992 1167 Y CA -1.063 57.066 58.100 0.049 0.000 1.100 1167 Y CB 2.312 40.799 38.460 0.046 0.000 1.192 1167 Y HN 0.393 nan 8.280 nan 0.000 0.458 1168 L N 5.028 126.374 121.223 0.204 0.000 2.283 1168 L HA 0.483 4.824 4.340 0.002 0.000 0.281 1168 L C -1.137 175.881 176.870 0.246 0.000 1.033 1168 L CA -0.197 54.756 54.840 0.189 0.000 0.848 1168 L CB -0.230 41.915 42.059 0.142 0.000 1.226 1168 L HN 0.553 nan 8.230 nan 0.000 0.429 1169 D N 3.885 124.419 120.400 0.224 0.000 2.494 1169 D HA 0.686 5.327 4.640 0.002 0.000 0.259 1169 D C -0.682 175.757 176.300 0.232 0.000 1.109 1169 D CA 0.202 54.306 54.000 0.174 0.000 1.040 1169 D CB 1.567 42.328 40.800 -0.063 0.000 1.175 1169 D HN 0.320 nan 8.370 nan 0.000 0.584 1170 F N -1.946 117.814 119.950 -0.316 0.000 2.741 1170 F HA 0.631 5.159 4.527 0.002 0.000 0.313 1170 F C -1.921 173.495 175.800 -0.639 0.000 1.153 1170 F CA -1.514 56.146 58.000 -0.568 0.000 0.931 1170 F CB 0.537 39.064 39.000 -0.788 0.000 1.335 1170 F HN 0.027 nan 8.300 nan 0.000 0.460 1171 F N 2.131 121.880 119.950 -0.335 0.000 2.404 1171 F HA 0.423 4.951 4.527 0.001 0.000 0.354 1171 F C 0.162 175.635 175.800 -0.546 0.000 1.122 1171 F CA -0.601 57.138 58.000 -0.435 0.000 1.080 1171 F CB 1.153 40.008 39.000 -0.241 0.000 1.131 1171 F HN 0.540 nan 8.300 nan 0.000 0.471 1172 N N 5.930 124.256 118.700 -0.623 0.000 2.621 1172 N HA 0.525 5.266 4.740 0.002 0.000 0.237 1172 N C 0.059 175.310 175.510 -0.432 0.000 0.997 1172 N CA -0.007 52.603 53.050 -0.733 0.000 0.918 1172 N CB 0.221 37.722 38.487 -1.644 0.000 1.122 1172 N HN 0.744 nan 8.380 nan 0.000 0.510 1173 L N 1.117 122.198 121.223 -0.238 0.000 6.453 1173 L HA -0.437 3.904 4.340 0.002 0.000 0.053 1173 L C 1.042 177.842 176.870 -0.116 0.000 2.386 1173 L CA 1.242 55.991 54.840 -0.152 0.000 1.514 1173 L CB -1.255 40.717 42.059 -0.145 0.000 2.896 1173 L HN 0.470 nan 8.230 nan 0.000 1.076 1174 N N 0.249 118.897 118.700 -0.088 0.000 2.353 1174 N HA 0.066 4.807 4.740 0.002 0.000 0.185 1174 N C 0.041 175.549 175.510 -0.003 0.000 1.098 1174 N CA 0.541 53.557 53.050 -0.057 0.000 0.872 1174 N CB 0.311 38.773 38.487 -0.041 0.000 0.970 1174 N HN 0.443 nan 8.380 nan 0.000 0.467 1175 Q N -0.268 119.527 119.800 -0.009 0.000 2.204 1175 Q HA 0.282 4.623 4.340 0.002 0.000 0.254 1175 Q C -0.923 175.107 176.000 0.051 0.000 0.981 1175 Q CA -0.724 55.115 55.803 0.060 0.000 0.897 1175 Q CB 1.597 30.420 28.738 0.141 0.000 1.273 1175 Q HN 0.146 nan 8.270 nan 0.000 0.464 1176 E N 1.136 121.387 120.200 0.085 0.000 2.114 1176 E HA 0.179 4.530 4.350 0.002 0.000 0.266 1176 E C -1.285 175.306 176.600 -0.016 0.000 0.896 1176 E CA -0.515 55.822 56.400 -0.107 0.000 0.750 1176 E CB 0.663 30.303 29.700 -0.101 0.000 1.121 1176 E HN 0.392 nan 8.360 nan 0.000 0.413 1177 W N 2.747 123.672 121.300 -0.624 0.000 2.225 1177 W HA 0.486 5.147 4.660 0.002 0.000 0.377 1177 W C 0.451 176.781 176.519 -0.316 0.000 1.418 1177 W CA -0.807 56.230 57.345 -0.514 0.000 1.562 1177 W CB 0.597 29.599 29.460 -0.764 0.000 1.297 1177 W HN 0.482 nan 8.180 nan 0.000 0.686 1178 R N -0.085 120.456 120.500 0.068 0.000 2.808 1178 R HA 0.642 4.983 4.340 0.002 0.000 0.272 1178 R C -1.837 174.356 176.300 -0.177 0.000 0.995 1178 R CA -0.655 55.375 56.100 -0.117 0.000 0.917 1178 R CB 1.783 31.797 30.300 -0.476 0.000 1.217 1178 R HN 0.218 nan 8.270 nan 0.000 0.471 1179 V N 3.857 123.705 119.914 -0.111 0.000 2.407 1179 V HA 0.419 4.540 4.120 0.002 0.000 0.278 1179 V C -0.969 175.107 176.094 -0.031 0.000 1.037 1179 V CA -0.160 62.181 62.300 0.067 0.000 0.900 1179 V CB 0.763 32.757 31.823 0.285 0.000 0.983 1179 V HN 0.605 nan 8.190 nan 0.000 0.459 1180 Y N 1.533 122.015 120.300 0.304 0.000 2.633 1180 Y HA 0.689 5.240 4.550 0.002 0.000 0.339 1180 Y C 0.405 176.444 175.900 0.233 0.000 1.045 1180 Y CA -1.004 57.297 58.100 0.334 0.000 1.098 1180 Y CB 2.241 40.853 38.460 0.254 0.000 1.296 1180 Y HN 0.432 nan 8.280 nan 0.000 0.494 1181 T N 0.921 115.668 114.554 0.321 0.000 2.881 1181 T HA 0.174 4.525 4.350 0.002 0.000 0.291 1181 T C -1.569 173.311 174.700 0.298 0.000 0.990 1181 T CA -0.628 61.505 62.100 0.055 0.000 0.976 1181 T CB 0.296 68.822 68.868 -0.569 0.000 0.970 1181 T HN 0.411 nan 8.240 nan 0.000 0.438 1182 Y N 3.658 124.041 120.300 0.139 0.000 2.632 1182 Y HA 0.116 4.667 4.550 0.002 0.000 0.329 1182 Y C 1.396 177.167 175.900 -0.215 0.000 1.174 1182 Y CA -0.432 57.523 58.100 -0.241 0.000 1.469 1182 Y CB 0.509 38.870 38.460 -0.164 0.000 1.242 1182 Y HN 0.617 nan 8.280 nan 0.000 0.540 1183 K N 4.186 123.955 120.400 -1.052 0.000 2.209 1183 K HA -0.169 4.152 4.320 0.002 0.000 0.204 1183 K C -0.123 175.800 176.600 -1.128 0.000 1.048 1183 K CA 1.454 57.038 56.287 -1.171 0.000 0.940 1183 K CB -0.090 31.316 32.500 -1.824 0.000 0.729 1183 K HN 0.654 nan 8.250 nan 0.000 0.451 1184 Y N 0.583 120.225 120.300 -1.096 0.000 2.756 1184 Y HA 0.170 4.721 4.550 0.002 0.000 0.300 1184 Y C 0.018 175.796 175.900 -0.203 0.000 1.113 1184 Y CA -1.780 55.921 58.100 -0.665 0.000 1.291 1184 Y CB -0.893 37.180 38.460 -0.644 0.000 1.175 1184 Y HN -0.066 nan 8.280 nan 0.000 0.534 1185 F N -0.836 119.091 119.950 -0.038 0.000 2.418 1185 F HA 0.452 4.980 4.527 0.002 0.000 0.341 1185 F C 0.711 176.564 175.800 0.087 0.000 1.120 1185 F CA -1.197 56.895 58.000 0.153 0.000 1.232 1185 F CB 0.930 40.025 39.000 0.159 0.000 1.175 1185 F HN -0.135 nan 8.300 nan 0.000 0.569 1186 K N 1.281 121.706 120.400 0.041 0.000 2.360 1186 K HA 0.170 4.492 4.320 0.002 0.000 0.196 1186 K C 0.238 176.826 176.600 -0.019 0.000 1.049 1186 K CA -0.103 56.137 56.287 -0.079 0.000 1.049 1186 K CB 0.347 32.846 32.500 -0.002 0.000 0.881 1186 K HN 0.599 nan 8.250 nan 0.000 0.542 1187 K N 0.975 121.462 120.400 0.145 0.000 2.117 1187 K HA 0.014 4.335 4.320 0.002 0.000 0.240 1187 K C 0.954 177.672 176.600 0.197 0.000 1.031 1187 K CA -0.142 56.237 56.287 0.154 0.000 0.909 1187 K CB 0.664 33.266 32.500 0.170 0.000 1.097 1187 K HN -0.157 nan 8.250 nan 0.000 0.492 1188 E N 1.270 121.541 120.200 0.119 0.000 2.110 1188 E HA -0.163 4.188 4.350 0.002 0.000 0.193 1188 E C -0.189 176.519 176.600 0.180 0.000 0.988 1188 E CA 1.439 57.910 56.400 0.118 0.000 0.804 1188 E CB 0.272 29.992 29.700 0.033 0.000 0.745 1188 E HN 0.485 nan 8.360 nan 0.000 0.458 1189 E N -0.459 119.795 120.200 0.089 0.000 2.369 1189 E HA 0.502 4.853 4.350 0.002 0.000 0.270 1189 E C -0.859 175.756 176.600 0.025 0.000 0.909 1189 E CA -0.899 55.506 56.400 0.007 0.000 0.775 1189 E CB 1.642 31.174 29.700 -0.279 0.000 1.270 1189 E HN 0.044 nan 8.360 nan 0.000 0.445 1190 E N 0.639 120.758 120.200 -0.135 0.000 2.356 1190 E HA 0.321 4.672 4.350 0.002 0.000 0.275 1190 E C -1.536 175.027 176.600 -0.061 0.000 0.904 1190 E CA -0.670 55.622 56.400 -0.180 0.000 0.757 1190 E CB 1.762 31.000 29.700 -0.771 0.000 1.232 1190 E HN 0.331 nan 8.360 nan 0.000 0.442 1191 K N 3.031 123.432 120.400 0.000 0.000 2.339 1191 K HA 0.280 4.601 4.320 0.002 0.000 0.286 1191 K C -0.176 176.463 176.600 0.066 0.000 1.050 1191 K CA -0.320 55.986 56.287 0.032 0.000 0.956 1191 K CB 0.491 32.939 32.500 -0.087 0.000 0.990 1191 K HN 0.476 nan 8.250 nan 0.000 0.475 1192 L N 3.120 124.396 121.223 0.089 0.000 2.483 1192 L HA 0.092 4.433 4.340 0.002 0.000 0.276 1192 L C 0.171 177.212 176.870 0.286 0.000 1.213 1192 L CA -0.158 54.754 54.840 0.120 0.000 0.843 1192 L CB 0.024 42.072 42.059 -0.018 0.000 1.107 1192 L HN 0.482 nan 8.230 nan 0.000 0.487 1193 F N 3.950 124.000 119.950 0.166 0.000 2.391 1193 F HA 0.435 4.963 4.527 0.002 0.000 0.359 1193 F C -0.569 175.366 175.800 0.224 0.000 1.122 1193 F CA -0.644 57.447 58.000 0.152 0.000 1.120 1193 F CB 0.509 39.547 39.000 0.062 0.000 1.142 1193 F HN 0.119 nan 8.300 nan 0.000 0.483 1194 L N 7.242 128.321 121.223 -0.240 0.000 2.280 1194 L HA 0.825 5.166 4.340 0.002 0.000 0.287 1194 L C -0.243 176.410 176.870 -0.362 0.000 1.023 1194 L CA -0.575 54.237 54.840 -0.047 0.000 0.819 1194 L CB 0.718 42.930 42.059 0.255 0.000 1.212 1194 L HN 0.835 nan 8.230 nan 0.000 0.420 1195 A N 5.139 127.733 122.820 -0.377 0.000 2.557 1195 A HA 0.845 5.166 4.320 0.002 0.000 0.292 1195 A C -2.915 174.122 177.584 -0.911 0.000 1.139 1195 A CA -1.272 50.190 52.037 -0.959 0.000 0.665 1195 A CB 1.510 19.890 19.000 -1.033 0.000 1.285 1195 A HN 0.390 nan 8.150 nan 0.000 0.433 1196 P HA 0.228 nan 4.420 nan 0.000 0.270 1196 P C -0.546 176.614 177.300 -0.233 0.000 1.227 1196 P CA 0.097 62.681 63.100 -0.860 0.000 0.788 1196 P CB 0.238 31.557 31.700 -0.634 0.000 0.926 1197 I N 1.119 121.629 120.570 -0.101 0.000 2.517 1197 I HA 0.119 4.290 4.170 0.002 0.000 0.285 1197 I C 0.771 176.889 176.117 0.002 0.000 1.106 1197 I CA 1.126 62.429 61.300 0.005 0.000 1.402 1197 I CB -0.251 37.723 38.000 -0.043 0.000 1.399 1197 I HN 0.448 nan 8.210 nan 0.000 0.535 1198 S N 3.197 118.933 115.700 0.060 0.000 2.661 1198 S HA 0.338 4.809 4.470 0.002 0.000 0.268 1198 S C -1.154 173.459 174.600 0.021 0.000 1.162 1198 S CA -1.047 57.151 58.200 -0.003 0.000 0.817 1198 S CB 1.990 65.153 63.200 -0.063 0.000 1.141 1198 S HN 0.558 nan 8.310 nan 0.000 0.477 1199 D N 1.015 121.422 120.400 0.012 0.000 2.517 1199 D HA 0.431 5.072 4.640 0.002 0.000 0.301 1199 D C -0.418 175.903 176.300 0.035 0.000 1.202 1199 D CA -0.068 53.959 54.000 0.045 0.000 0.910 1199 D CB 0.912 41.748 40.800 0.060 0.000 1.021 1199 D HN 0.616 nan 8.370 nan 0.000 0.499 1200 S N 1.422 117.134 115.700 0.020 0.000 2.564 1200 S HA 0.040 4.511 4.470 0.002 0.000 0.278 1200 S C 1.011 175.649 174.600 0.064 0.000 1.333 1200 S CA -0.414 57.828 58.200 0.069 0.000 1.048 1200 S CB 1.273 64.588 63.200 0.191 0.000 0.900 1200 S HN 0.418 nan 8.310 nan 0.000 0.505 1201 D N 2.569 122.984 120.400 0.024 0.000 2.363 1201 D HA 0.025 4.666 4.640 0.002 0.000 0.226 1201 D C 1.099 177.334 176.300 -0.109 0.000 1.020 1201 D CA 0.753 54.742 54.000 -0.018 0.000 0.892 1201 D CB 0.172 40.971 40.800 -0.000 0.000 0.900 1201 D HN 0.747 nan 8.370 nan 0.000 0.531 1202 E N -1.143 118.968 120.200 -0.149 0.000 2.474 1202 E HA 0.115 4.466 4.350 0.002 0.000 0.195 1202 E C -0.483 175.612 176.600 -0.841 0.000 1.039 1202 E CA -0.008 56.140 56.400 -0.421 0.000 0.881 1202 E CB 0.502 29.977 29.700 -0.375 0.000 0.970 1202 E HN 0.214 nan 8.360 nan 0.000 0.486 1203 F N -0.038 119.754 119.950 -0.263 0.000 2.547 1203 F HA 0.313 4.841 4.527 0.002 0.000 0.316 1203 F C -0.457 175.283 175.800 -0.101 0.000 1.121 1203 F CA -1.261 56.611 58.000 -0.214 0.000 0.911 1203 F CB 0.960 39.864 39.000 -0.160 0.000 1.179 1203 F HN -0.154 nan 8.300 nan 0.000 0.443 1204 Y N 2.035 122.488 120.300 0.255 0.000 2.359 1204 Y HA 0.166 4.717 4.550 0.002 0.000 0.330 1204 Y C 1.040 177.287 175.900 0.579 0.000 1.143 1204 Y CA -0.378 57.908 58.100 0.311 0.000 1.318 1204 Y CB 0.656 39.234 38.460 0.196 0.000 1.234 1204 Y HN 0.602 nan 8.280 nan 0.000 0.522 1205 N N -1.994 117.168 118.700 0.770 0.000 2.145 1205 N HA 0.076 4.817 4.740 0.002 0.000 0.219 1205 N C -0.523 175.375 175.510 0.646 0.000 1.266 1205 N CA -0.121 53.373 53.050 0.739 0.000 0.902 1205 N CB 0.308 39.186 38.487 0.651 0.000 1.078 1205 N HN 0.307 nan 8.380 nan 0.000 0.513 1206 T N 1.601 116.486 114.554 0.552 0.000 2.767 1206 T HA 0.495 4.846 4.350 0.002 0.000 0.288 1206 T C -0.165 174.582 174.700 0.078 0.000 0.963 1206 T CA -0.296 61.977 62.100 0.288 0.000 1.019 1206 T CB 1.041 70.030 68.868 0.201 0.000 0.923 1206 T HN 0.087 nan 8.240 nan 0.000 0.468 1207 I N 2.641 123.162 120.570 -0.081 0.000 2.530 1207 I HA 0.404 4.575 4.170 0.002 0.000 0.297 1207 I C 0.043 176.081 176.117 -0.132 0.000 1.011 1207 I CA -0.904 60.214 61.300 -0.303 0.000 1.107 1207 I CB 2.202 39.948 38.000 -0.425 0.000 1.285 1207 I HN 0.440 nan 8.210 nan 0.000 0.436 1208 Q N 5.704 125.398 119.800 -0.178 0.000 2.333 1208 Q HA 0.500 4.841 4.340 0.002 0.000 0.265 1208 Q C -1.131 174.734 176.000 -0.226 0.000 0.989 1208 Q CA -0.683 54.951 55.803 -0.281 0.000 0.842 1208 Q CB 2.155 30.680 28.738 -0.355 0.000 1.262 1208 Q HN 0.642 nan 8.270 nan 0.000 0.451 1209 I N 4.199 124.635 120.570 -0.224 0.000 2.441 1209 I HA 0.230 4.401 4.170 0.002 0.000 0.287 1209 I C -0.768 175.222 176.117 -0.212 0.000 1.049 1209 I CA -0.040 61.159 61.300 -0.169 0.000 1.381 1209 I CB 0.231 38.143 38.000 -0.147 0.000 1.409 1209 I HN 0.571 nan 8.210 nan 0.000 0.523 1210 K N 5.468 125.737 120.400 -0.217 0.000 2.395 1210 K HA 0.513 4.834 4.320 0.002 0.000 0.245 1210 K C -1.301 175.073 176.600 -0.377 0.000 1.017 1210 K CA -0.884 55.176 56.287 -0.378 0.000 0.852 1210 K CB 1.682 33.799 32.500 -0.638 0.000 1.311 1210 K HN 0.323 nan 8.250 nan 0.000 0.452 1211 E N 0.770 120.672 120.200 -0.497 0.000 2.373 1211 E HA 0.247 4.598 4.350 0.002 0.000 0.251 1211 E C -0.946 175.371 176.600 -0.471 0.000 0.923 1211 E CA -0.153 56.017 56.400 -0.384 0.000 0.798 1211 E CB 0.282 29.829 29.700 -0.256 0.000 1.303 1211 E HN 0.493 nan 8.360 nan 0.000 0.412 1212 Y N 0.802 120.925 120.300 -0.295 0.000 2.503 1212 Y HA 0.201 4.752 4.550 0.002 0.000 0.278 1212 Y C 0.827 176.346 175.900 -0.635 0.000 1.111 1212 Y CA -0.007 57.885 58.100 -0.347 0.000 1.270 1212 Y CB 0.462 38.818 38.460 -0.174 0.000 1.063 1212 Y HN 0.394 nan 8.280 nan 0.000 0.548 1213 D N 1.259 121.184 120.400 -0.792 0.000 2.390 1213 D HA -0.008 4.633 4.640 0.002 0.000 0.249 1213 D C 0.427 176.570 176.300 -0.262 0.000 1.144 1213 D CA 0.355 53.939 54.000 -0.693 0.000 0.880 1213 D CB 0.966 41.446 40.800 -0.533 0.000 1.182 1213 D HN 0.407 nan 8.370 nan 0.000 0.451 1214 E N 1.653 121.777 120.200 -0.127 0.000 2.447 1214 E HA -0.007 4.344 4.350 0.002 0.000 0.195 1214 E C 0.178 176.752 176.600 -0.043 0.000 1.028 1214 E CA -0.022 56.339 56.400 -0.064 0.000 0.876 1214 E CB 0.534 30.220 29.700 -0.023 0.000 0.885 1214 E HN 0.441 nan 8.360 nan 0.000 0.500 1215 Q N 0.777 120.557 119.800 -0.034 0.000 2.205 1215 Q HA 0.324 4.665 4.340 0.002 0.000 0.249 1215 Q C -2.398 173.572 176.000 -0.051 0.000 0.948 1215 Q CA -2.496 53.300 55.803 -0.012 0.000 0.895 1215 Q CB 0.278 29.042 28.738 0.044 0.000 1.249 1215 Q HN -0.089 nan 8.270 nan 0.000 0.458 1216 P HA 0.043 nan 4.420 nan 0.000 0.264 1216 P C -0.522 176.711 177.300 -0.112 0.000 1.183 1216 P CA 0.590 63.601 63.100 -0.149 0.000 0.763 1216 P CB 0.560 32.055 31.700 -0.342 0.000 0.807 1217 T N 1.963 116.429 114.554 -0.148 0.000 2.827 1217 T HA 0.344 4.695 4.350 0.002 0.000 0.328 1217 T C -0.684 173.975 174.700 -0.068 0.000 1.598 1217 T CA -0.295 61.706 62.100 -0.164 0.000 1.043 1217 T CB 0.335 69.168 68.868 -0.058 0.000 1.447 1217 T HN 0.056 nan 8.240 nan 0.000 0.491 1218 Y N 0.946 121.243 120.300 -0.004 0.000 2.458 1218 Y HA 0.459 5.010 4.550 0.001 0.000 0.256 1218 Y C 1.627 177.534 175.900 0.012 0.000 1.159 1218 Y CA -0.610 57.480 58.100 -0.016 0.000 1.261 1218 Y CB 0.073 38.490 38.460 -0.072 0.000 1.119 1218 Y HN 0.375 nan 8.280 nan 0.000 0.524 1219 S N 0.434 116.224 115.700 0.149 0.000 2.603 1219 S HA 0.464 4.935 4.470 0.002 0.000 0.268 1219 S C 0.212 174.871 174.600 0.098 0.000 1.317 1219 S CA -0.364 57.916 58.200 0.134 0.000 1.012 1219 S CB 0.878 64.149 63.200 0.118 0.000 0.926 1219 S HN 0.441 nan 8.310 nan 0.000 0.539 1220 C N 1.476 120.850 119.300 0.122 0.000 3.323 1220 C HA 0.878 5.339 4.460 0.002 0.000 0.324 1220 C C -1.704 173.379 174.990 0.155 0.000 1.428 1220 C CA -0.940 58.129 59.018 0.085 0.000 1.368 1220 C CB 0.699 28.490 27.740 0.085 0.000 1.731 1220 C HN 0.719 nan 8.230 nan 0.000 0.455 1221 Q N 0.258 120.126 119.800 0.113 0.000 2.451 1221 Q HA 0.828 5.169 4.340 0.002 0.000 0.281 1221 Q C -1.401 174.666 176.000 0.113 0.000 1.099 1221 Q CA -0.404 55.522 55.803 0.204 0.000 0.806 1221 Q CB 1.885 30.808 28.738 0.309 0.000 1.419 1221 Q HN 0.737 nan 8.270 nan 0.000 0.427 1222 L N 1.801 123.100 121.223 0.127 0.000 2.319 1222 L HA 0.600 4.941 4.340 0.002 0.000 0.281 1222 L C -1.213 175.666 176.870 0.015 0.000 1.005 1222 L CA -0.879 53.959 54.840 -0.004 0.000 0.828 1222 L CB 1.128 43.127 42.059 -0.100 0.000 1.227 1222 L HN 0.389 nan 8.230 nan 0.000 0.415 1223 L N 3.042 124.245 121.223 -0.033 0.000 2.329 1223 L HA 0.598 4.940 4.340 0.002 0.000 0.279 1223 L C -1.218 175.615 176.870 -0.061 0.000 1.014 1223 L CA 0.132 54.996 54.840 0.039 0.000 0.814 1223 L CB 1.459 43.578 42.059 0.100 0.000 1.257 1223 L HN 0.247 nan 8.230 nan 0.000 0.424 1224 F N 4.450 124.446 119.950 0.076 0.000 2.411 1224 F HA 0.532 5.060 4.527 0.002 0.000 0.352 1224 F C 0.217 175.996 175.800 -0.035 0.000 1.123 1224 F CA -0.346 57.673 58.000 0.032 0.000 1.044 1224 F CB 1.263 40.285 39.000 0.035 0.000 1.135 1224 F HN 0.351 nan 8.300 nan 0.000 0.461 1225 K N 2.944 123.418 120.400 0.125 0.000 2.328 1225 K HA 0.268 4.589 4.320 0.002 0.000 0.246 1225 K C 0.662 177.175 176.600 -0.145 0.000 0.955 1225 K CA -1.027 55.268 56.287 0.014 0.000 0.817 1225 K CB 2.651 35.207 32.500 0.093 0.000 1.208 1225 K HN 0.499 nan 8.250 nan 0.000 0.432 1226 K N 1.101 121.388 120.400 -0.189 0.000 2.049 1226 K HA -0.232 4.089 4.320 0.002 0.000 0.219 1226 K C 0.248 176.857 176.600 0.015 0.000 1.056 1226 K CA 2.384 58.575 56.287 -0.159 0.000 0.946 1226 K CB 0.076 32.576 32.500 0.001 0.000 0.723 1226 K HN 0.817 nan 8.250 nan 0.000 0.453 1227 D N -3.183 117.233 120.400 0.027 0.000 2.665 1227 D HA 0.034 4.675 4.640 0.002 0.000 0.287 1227 D C 0.099 176.370 176.300 -0.048 0.000 1.266 1227 D CA -0.446 53.565 54.000 0.018 0.000 0.830 1227 D CB 0.693 41.513 40.800 0.034 0.000 1.356 1227 D HN -0.109 nan 8.370 nan 0.000 0.437 1228 E N 0.414 120.487 120.200 -0.212 0.000 2.065 1228 E HA -0.227 4.124 4.350 0.002 0.000 0.201 1228 E C 1.411 177.966 176.600 -0.074 0.000 1.016 1228 E CA 2.260 58.437 56.400 -0.372 0.000 0.818 1228 E CB -0.035 29.287 29.700 -0.630 0.000 0.749 1228 E HN 0.460 nan 8.360 nan 0.000 0.453 1229 E N 0.575 120.743 120.200 -0.053 0.000 2.001 1229 E HA -0.067 4.285 4.350 0.002 0.000 0.195 1229 E C 0.815 177.430 176.600 0.025 0.000 1.002 1229 E CA 0.892 57.292 56.400 -0.001 0.000 0.819 1229 E CB -0.539 29.160 29.700 -0.002 0.000 0.769 1229 E HN 0.071 nan 8.360 nan 0.000 0.454 1230 S N -0.288 115.426 115.700 0.023 0.000 2.558 1230 S HA -0.096 4.376 4.470 0.002 0.000 0.297 1230 S C 0.778 175.404 174.600 0.043 0.000 1.283 1230 S CA 0.862 59.081 58.200 0.032 0.000 1.044 1230 S CB 0.237 63.456 63.200 0.031 0.000 0.789 1230 S HN 0.410 nan 8.310 nan 0.000 0.500 1231 T N 0.409 114.987 114.554 0.040 0.000 3.215 1231 T HA 0.290 4.641 4.350 0.002 0.000 0.271 1231 T C -0.577 174.148 174.700 0.041 0.000 1.012 1231 T CA -0.611 61.517 62.100 0.046 0.000 0.899 1231 T CB -0.134 68.758 68.868 0.039 0.000 1.089 1231 T HN 0.508 nan 8.240 nan 0.000 0.552 1232 D N 3.104 123.523 120.400 0.032 0.000 2.411 1232 D HA 0.170 4.811 4.640 0.002 0.000 0.225 1232 D C -0.145 176.168 176.300 0.021 0.000 1.156 1232 D CA -0.081 53.933 54.000 0.023 0.000 0.874 1232 D CB 1.058 41.867 40.800 0.015 0.000 1.034 1232 D HN 0.560 nan 8.370 nan 0.000 0.502 1233 E N 2.560 122.786 120.200 0.043 0.000 2.180 1233 E HA 0.088 4.439 4.350 0.002 0.000 0.283 1233 E C 1.214 177.860 176.600 0.076 0.000 1.061 1233 E CA -0.559 55.882 56.400 0.068 0.000 0.861 1233 E CB 1.452 31.206 29.700 0.091 0.000 1.056 1233 E HN 0.341 nan 8.360 nan 0.000 0.407 1234 I N 1.802 122.419 120.570 0.079 0.000 2.353 1234 I HA 0.027 4.198 4.170 0.002 0.000 0.248 1234 I C 1.201 177.464 176.117 0.243 0.000 1.119 1234 I CA 1.048 62.423 61.300 0.126 0.000 1.417 1234 I CB -1.209 36.822 38.000 0.052 0.000 1.078 1234 I HN 0.665 nan 8.210 nan 0.000 0.421 1235 G N 0.368 109.322 108.800 0.257 0.000 2.356 1235 G HA2 0.314 4.276 3.960 0.002 0.000 0.300 1235 G HA3 0.314 4.276 3.960 0.002 0.000 0.300 1235 G C -1.475 173.624 174.900 0.332 0.000 1.331 1235 G CA -0.870 44.404 45.100 0.291 0.000 0.905 1235 G HN 0.008 nan 8.290 nan 0.000 0.587 1236 L N 0.062 121.501 121.223 0.360 0.000 2.334 1236 L HA 0.628 4.969 4.340 0.002 0.000 0.272 1236 L C 0.347 177.431 176.870 0.357 0.000 1.020 1236 L CA -1.108 53.932 54.840 0.333 0.000 0.812 1236 L CB 1.877 44.101 42.059 0.275 0.000 1.264 1236 L HN 0.438 nan 8.230 nan 0.000 0.439 1237 I N 0.934 121.668 120.570 0.274 0.000 2.441 1237 I HA 0.481 4.652 4.170 0.002 0.000 0.287 1237 I C 0.671 177.066 176.117 0.463 0.000 1.049 1237 I CA 0.262 61.712 61.300 0.251 0.000 1.381 1237 I CB 1.123 39.128 38.000 0.007 0.000 1.409 1237 I HN 0.751 nan 8.210 nan 0.000 0.523 1238 G N 6.367 115.472 108.800 0.509 0.000 2.664 1238 G HA2 0.638 4.599 3.960 0.002 0.000 0.303 1238 G HA3 0.638 4.599 3.960 0.002 0.000 0.303 1238 G C -1.349 173.898 174.900 0.577 0.000 1.243 1238 G CA -0.582 44.833 45.100 0.524 0.000 0.826 1238 G HN 0.400 nan 8.290 nan 0.000 0.498 1239 I N 0.391 121.223 120.570 0.436 0.000 2.498 1239 I HA 0.452 4.623 4.170 0.002 0.000 0.290 1239 I C -1.061 175.273 176.117 0.362 0.000 1.032 1239 I CA -0.679 60.855 61.300 0.390 0.000 1.073 1239 I CB 2.349 40.477 38.000 0.213 0.000 1.251 1239 I HN 0.599 nan 8.210 nan 0.000 0.426 1240 H N 4.974 124.236 119.070 0.320 0.000 2.637 1240 H HA 0.491 5.048 4.556 0.002 0.000 0.363 1240 H C -0.781 174.709 175.328 0.271 0.000 1.131 1240 H CA -0.704 55.462 56.048 0.197 0.000 1.183 1240 H CB 1.882 31.730 29.762 0.143 0.000 1.637 1240 H HN 0.474 nan 8.280 nan 0.000 0.531 1241 R N 3.802 124.051 120.500 -0.419 0.000 2.308 1241 R HA 0.323 4.664 4.340 0.002 0.000 0.305 1241 R C -1.379 174.883 176.300 -0.063 0.000 1.053 1241 R CA -0.192 55.850 56.100 -0.097 0.000 0.957 1241 R CB 0.317 30.479 30.300 -0.229 0.000 1.022 1241 R HN 0.395 nan 8.270 nan 0.000 0.461 1242 F N 3.168 123.303 119.950 0.310 0.000 2.551 1242 F HA 0.270 4.798 4.527 0.002 0.000 0.316 1242 F C -0.700 175.335 175.800 0.392 0.000 1.089 1242 F CA -0.844 57.365 58.000 0.350 0.000 0.915 1242 F CB 1.325 40.506 39.000 0.302 0.000 1.186 1242 F HN 0.408 nan 8.300 nan 0.000 0.456 1243 Y N 2.697 123.197 120.300 0.333 0.000 2.327 1243 Y HA 0.476 5.027 4.550 0.002 0.000 0.336 1243 Y C -0.608 175.320 175.900 0.047 0.000 1.035 1243 Y CA -0.739 57.371 58.100 0.017 0.000 1.165 1243 Y CB 0.730 39.142 38.460 -0.080 0.000 1.181 1243 Y HN 0.594 nan 8.280 nan 0.000 0.494 1244 E N 3.467 123.316 120.200 -0.585 0.000 2.234 1244 E HA 0.356 4.707 4.350 0.002 0.000 0.266 1244 E C -1.273 174.956 176.600 -0.618 0.000 0.877 1244 E CA -0.823 55.334 56.400 -0.404 0.000 0.758 1244 E CB 1.935 31.565 29.700 -0.117 0.000 1.170 1244 E HN 0.423 nan 8.360 nan 0.000 0.415 1245 S N 1.829 117.282 115.700 -0.410 0.000 2.539 1245 S HA 0.467 4.938 4.470 0.002 0.000 0.235 1245 S C -0.203 174.337 174.600 -0.099 0.000 1.326 1245 S CA -0.562 57.469 58.200 -0.280 0.000 1.183 1245 S CB 0.556 63.616 63.200 -0.232 0.000 1.073 1245 S HN 0.634 nan 8.310 nan 0.000 0.480 1246 G N 1.970 110.746 108.800 -0.039 0.000 2.535 1246 G HA2 0.428 4.389 3.960 0.002 0.000 0.303 1246 G HA3 0.428 4.389 3.960 0.002 0.000 0.303 1246 G C 1.212 176.109 174.900 -0.005 0.000 1.237 1246 G CA -0.786 44.319 45.100 0.008 0.000 0.986 1246 G HN 0.794 nan 8.290 nan 0.000 0.494 1247 I N -1.485 119.084 120.570 -0.003 0.000 2.423 1247 I HA -0.128 4.044 4.170 0.002 0.000 0.254 1247 I C 1.716 177.792 176.117 -0.070 0.000 1.151 1247 I CA 1.926 63.210 61.300 -0.025 0.000 1.421 1247 I CB -0.552 37.439 38.000 -0.016 0.000 1.079 1247 I HN 0.229 nan 8.210 nan 0.000 0.431 1248 V N -2.067 117.787 119.914 -0.101 0.000 2.840 1248 V HA 0.357 4.478 4.120 0.002 0.000 0.234 1248 V C 0.852 176.699 176.094 -0.411 0.000 1.159 1248 V CA -0.253 61.868 62.300 -0.298 0.000 1.194 1248 V CB -0.929 30.627 31.823 -0.444 0.000 0.971 1248 V HN 0.172 nan 8.190 nan 0.000 0.494 1249 F N 1.234 121.165 119.950 -0.031 0.000 2.399 1249 F HA 0.720 5.248 4.527 0.002 0.000 0.328 1249 F C 0.319 176.070 175.800 -0.083 0.000 1.084 1249 F CA -0.435 57.540 58.000 -0.042 0.000 1.053 1249 F CB 1.203 40.181 39.000 -0.036 0.000 1.209 1249 F HN 0.158 nan 8.300 nan 0.000 0.502 1250 E N 2.589 122.857 120.200 0.112 0.000 2.265 1250 E HA 0.383 4.734 4.350 0.002 0.000 0.262 1250 E C -1.471 175.099 176.600 -0.049 0.000 0.889 1250 E CA -0.420 55.947 56.400 -0.056 0.000 0.789 1250 E CB 1.465 31.160 29.700 -0.008 0.000 1.221 1250 E HN 0.850 nan 8.360 nan 0.000 0.414 1251 E N 2.620 122.686 120.200 -0.224 0.000 2.427 1251 E HA 0.199 4.550 4.350 0.002 0.000 0.279 1251 E C -1.502 174.975 176.600 -0.205 0.000 1.120 1251 E CA -0.829 55.505 56.400 -0.110 0.000 0.869 1251 E CB 0.578 30.294 29.700 0.028 0.000 1.393 1251 E HN 0.257 nan 8.360 nan 0.000 0.443 1252 Y N 0.479 120.867 120.300 0.148 0.000 2.387 1252 Y HA 0.602 5.153 4.550 0.002 0.000 0.330 1252 Y C 0.103 176.081 175.900 0.130 0.000 1.133 1252 Y CA -0.401 57.812 58.100 0.189 0.000 1.152 1252 Y CB 2.027 40.594 38.460 0.178 0.000 1.215 1252 Y HN 0.473 nan 8.280 nan 0.000 0.466 1253 K N 1.973 122.587 120.400 0.356 0.000 2.565 1253 K HA 0.294 4.615 4.320 0.002 0.000 0.251 1253 K C -2.080 174.689 176.600 0.281 0.000 0.956 1253 K CA -0.715 55.694 56.287 0.204 0.000 0.809 1253 K CB 1.166 33.749 32.500 0.138 0.000 1.267 1253 K HN 0.555 nan 8.250 nan 0.000 0.438 1254 D N 2.500 122.944 120.400 0.073 0.000 2.255 1254 D HA 0.257 4.899 4.640 0.002 0.000 0.249 1254 D C -0.790 175.471 176.300 -0.065 0.000 1.078 1254 D CA 0.442 54.537 54.000 0.159 0.000 0.896 1254 D CB 0.572 41.417 40.800 0.075 0.000 1.194 1254 D HN 0.285 nan 8.370 nan 0.000 0.429 1255 Y N 0.041 120.527 120.300 0.309 0.000 2.570 1255 Y HA 0.320 4.871 4.550 0.002 0.000 0.345 1255 Y C -0.192 175.939 175.900 0.385 0.000 1.014 1255 Y CA -1.299 56.950 58.100 0.250 0.000 1.063 1255 Y CB 1.101 39.600 38.460 0.066 0.000 1.272 1255 Y HN 0.193 nan 8.280 nan 0.000 0.477 1256 F N 4.308 124.449 119.950 0.317 0.000 2.490 1256 F HA 0.374 4.902 4.527 0.002 0.000 0.357 1256 F C 0.251 176.234 175.800 0.305 0.000 1.166 1256 F CA -1.220 56.954 58.000 0.289 0.000 1.116 1256 F CB -0.716 38.397 39.000 0.189 0.000 1.171 1256 F HN 0.595 nan 8.300 nan 0.000 0.576 1257 C N 5.965 125.423 119.300 0.263 0.000 2.822 1257 C HA 0.817 5.278 4.460 0.002 0.000 0.341 1257 C C -0.219 174.826 174.990 0.092 0.000 1.301 1257 C CA -1.259 57.861 59.018 0.171 0.000 1.706 1257 C CB 1.220 29.156 27.740 0.327 0.000 2.178 1257 C HN 0.840 nan 8.230 nan 0.000 0.481 1258 I N 1.505 122.102 120.570 0.045 0.000 2.603 1258 I HA 0.674 4.845 4.170 0.002 0.000 0.300 1258 I C -0.392 175.802 176.117 0.129 0.000 1.017 1258 I CA 0.232 61.583 61.300 0.085 0.000 1.098 1258 I CB 1.844 39.794 38.000 -0.084 0.000 1.279 1258 I HN 1.037 nan 8.210 nan 0.000 0.437 1259 S N 5.032 120.901 115.700 0.281 0.000 2.543 1259 S HA 0.384 4.855 4.470 0.002 0.000 0.273 1259 S C -0.048 174.726 174.600 0.290 0.000 1.152 1259 S CA -0.745 57.599 58.200 0.240 0.000 0.910 1259 S CB 1.868 65.140 63.200 0.120 0.000 1.105 1259 S HN 0.786 nan 8.310 nan 0.000 0.465 1260 K N 2.135 122.681 120.400 0.243 0.000 2.305 1260 K HA 0.026 4.347 4.320 0.002 0.000 0.199 1260 K C 1.309 178.005 176.600 0.159 0.000 1.047 1260 K CA 0.728 57.137 56.287 0.203 0.000 0.976 1260 K CB -0.060 32.543 32.500 0.171 0.000 0.765 1260 K HN 0.742 nan 8.250 nan 0.000 0.474 1261 W N 0.832 122.090 121.300 -0.069 0.000 2.342 1261 W HA -0.237 4.425 4.660 0.002 0.000 0.297 1261 W C 1.168 177.625 176.519 -0.104 0.000 1.213 1261 W CA 1.492 58.757 57.345 -0.133 0.000 1.251 1261 W CB -0.151 29.164 29.460 -0.243 0.000 1.136 1261 W HN 0.034 nan 8.180 nan 0.000 0.526 1262 Y N 0.318 120.689 120.300 0.119 0.000 2.274 1262 Y HA -0.211 4.341 4.550 0.002 0.000 0.290 1262 Y C 2.422 178.180 175.900 -0.237 0.000 1.145 1262 Y CA 1.576 59.616 58.100 -0.100 0.000 1.203 1262 Y CB -1.282 37.236 38.460 0.097 0.000 0.984 1262 Y HN -0.065 nan 8.280 nan 0.000 0.533 1263 L N 0.488 121.717 121.223 0.011 0.000 1.997 1263 L HA -0.348 3.993 4.340 0.002 0.000 0.216 1263 L C 2.483 179.248 176.870 -0.176 0.000 1.074 1263 L CA 2.457 57.256 54.840 -0.068 0.000 0.763 1263 L CB -0.696 41.361 42.059 -0.002 0.000 0.890 1263 L HN 0.298 nan 8.230 nan 0.000 0.434 1264 K N -1.036 119.226 120.400 -0.230 0.000 2.167 1264 K HA -0.093 4.229 4.320 0.002 0.000 0.203 1264 K C 1.763 178.172 176.600 -0.318 0.000 1.052 1264 K CA 0.784 56.924 56.287 -0.246 0.000 0.956 1264 K CB -0.165 32.191 32.500 -0.240 0.000 0.735 1264 K HN 0.159 nan 8.250 nan 0.000 0.451 1265 E N 1.593 121.507 120.200 -0.476 0.000 2.110 1265 E HA -0.131 4.220 4.350 0.002 0.000 0.193 1265 E C 2.250 178.659 176.600 -0.319 0.000 0.988 1265 E CA 1.684 57.792 56.400 -0.487 0.000 0.804 1265 E CB -0.302 28.936 29.700 -0.771 0.000 0.745 1265 E HN 0.428 nan 8.360 nan 0.000 0.458 1266 V N -1.002 118.740 119.914 -0.287 0.000 3.241 1266 V HA -0.084 4.037 4.120 0.002 0.000 0.269 1266 V C 1.690 177.734 176.094 -0.083 0.000 1.151 1266 V CA 1.254 63.432 62.300 -0.204 0.000 1.158 1266 V CB -0.576 30.921 31.823 -0.544 0.000 0.764 1266 V HN 0.048 nan 8.190 nan 0.000 0.508 1267 K N 0.075 120.397 120.400 -0.131 0.000 2.314 1267 K HA 0.192 4.513 4.320 0.002 0.000 0.198 1267 K C 0.964 177.550 176.600 -0.023 0.000 1.045 1267 K CA -0.152 56.105 56.287 -0.050 0.000 0.988 1267 K CB 0.088 32.545 32.500 -0.071 0.000 0.783 1267 K HN 0.461 nan 8.250 nan 0.000 0.484 1268 R N 1.649 122.107 120.500 -0.070 0.000 2.756 1268 R HA 0.060 4.401 4.340 0.002 0.000 0.264 1268 R C -0.154 176.143 176.300 -0.006 0.000 1.026 1268 R CA 0.525 56.589 56.100 -0.059 0.000 1.121 1268 R CB 0.361 30.595 30.300 -0.109 0.000 0.999 1268 R HN -0.173 nan 8.270 nan 0.000 0.449 1269 K N 2.870 123.270 120.400 -0.000 0.000 2.378 1269 K HA 0.370 4.691 4.320 0.002 0.000 0.252 1269 K C -1.967 174.639 176.600 0.011 0.000 0.931 1269 K CA -1.692 54.611 56.287 0.028 0.000 0.794 1269 K CB 1.588 34.106 32.500 0.031 0.000 1.181 1269 K HN 0.574 nan 8.250 nan 0.000 0.425 1270 P HA 0.122 nan 4.420 nan 0.000 0.273 1270 P C -0.564 176.777 177.300 0.069 0.000 1.250 1270 P CA -0.428 62.706 63.100 0.056 0.000 0.793 1270 P CB 0.410 32.140 31.700 0.050 0.000 1.011 1271 Y N 1.543 121.844 120.300 0.003 0.000 2.632 1271 Y HA 0.004 4.555 4.550 0.003 0.000 0.329 1271 Y C 0.891 176.791 175.900 0.000 0.000 1.174 1271 Y CA -0.158 57.944 58.100 0.003 0.000 1.469 1271 Y CB -0.080 38.392 38.460 0.020 0.000 1.242 1271 Y HN 0.288 nan 8.280 nan 0.000 0.540 1272 N N 6.761 125.102 118.700 -0.599 0.000 2.508 1272 N HA 0.023 4.764 4.740 0.002 0.000 0.253 1272 N C 0.547 175.822 175.510 -0.392 0.000 1.145 1272 N CA 0.326 53.145 53.050 -0.385 0.000 0.973 1272 N CB 0.004 38.305 38.487 -0.311 0.000 1.305 1272 N HN 0.925 nan 8.380 nan 0.000 0.506 1273 L N 2.072 123.222 121.223 -0.121 0.000 2.127 1273 L HA -0.145 4.196 4.340 0.002 0.000 0.211 1273 L C 1.891 178.731 176.870 -0.050 0.000 1.089 1273 L CA 0.898 55.740 54.840 0.003 0.000 0.757 1273 L CB -0.236 41.856 42.059 0.055 0.000 0.899 1273 L HN 0.338 nan 8.230 nan 0.000 0.434 1274 K N 0.533 120.890 120.400 -0.072 0.000 2.504 1274 K HA 0.100 4.421 4.320 0.002 0.000 0.195 1274 K C 0.707 177.260 176.600 -0.078 0.000 1.036 1274 K CA 0.184 56.431 56.287 -0.066 0.000 0.984 1274 K CB -0.354 32.122 32.500 -0.040 0.000 0.788 1274 K HN 0.304 nan 8.250 nan 0.000 0.488 1275 L N 0.723 121.886 121.223 -0.100 0.000 2.559 1275 L HA -0.064 4.277 4.340 0.002 0.000 0.282 1275 L C 1.689 178.488 176.870 -0.118 0.000 1.232 1275 L CA 0.022 54.841 54.840 -0.036 0.000 0.885 1275 L CB 0.297 42.294 42.059 -0.102 0.000 1.131 1275 L HN 0.197 nan 8.230 nan 0.000 0.498 1276 G N 1.744 110.547 108.800 0.006 0.000 2.708 1276 G HA2 -0.142 3.819 3.960 0.002 0.000 0.210 1276 G HA3 -0.142 3.819 3.960 0.002 0.000 0.210 1276 G C 1.075 175.663 174.900 -0.521 0.000 1.141 1276 G CA 0.530 45.530 45.100 -0.167 0.000 0.788 1276 G HN 0.909 nan 8.290 nan 0.000 0.531 1277 C N -1.532 117.351 119.300 -0.695 0.000 2.855 1277 C HA 0.395 4.856 4.460 0.002 0.000 0.279 1277 C C 0.499 175.248 174.990 -0.401 0.000 1.270 1277 C CA -1.758 56.835 59.018 -0.708 0.000 1.702 1277 C CB -1.605 25.519 27.740 -1.027 0.000 1.949 1277 C HN 0.212 nan 8.230 nan 0.000 0.618 1278 N N 0.833 119.265 118.700 -0.448 0.000 2.414 1278 N HA 0.447 5.188 4.740 0.002 0.000 0.256 1278 N C -1.087 174.180 175.510 -0.406 0.000 1.029 1278 N CA -0.130 52.790 53.050 -0.217 0.000 0.948 1278 N CB 0.599 39.041 38.487 -0.076 0.000 1.102 1278 N HN 0.572 nan 8.380 nan 0.000 0.496 1279 W N 0.930 122.178 121.300 -0.086 0.000 2.736 1279 W HA 0.508 5.169 4.660 0.001 0.000 0.355 1279 W C -0.142 176.297 176.519 -0.135 0.000 1.102 1279 W CA -0.588 56.651 57.345 -0.177 0.000 1.164 1279 W CB 1.219 30.496 29.460 -0.305 0.000 1.422 1279 W HN 0.152 nan 8.180 nan 0.000 0.572 1280 Q N 0.789 120.654 119.800 0.108 0.000 2.345 1280 Q HA 0.451 4.792 4.340 0.002 0.000 0.275 1280 Q C -1.693 174.188 176.000 -0.198 0.000 1.063 1280 Q CA -0.976 54.879 55.803 0.087 0.000 0.819 1280 Q CB 2.694 31.673 28.738 0.400 0.000 1.356 1280 Q HN 0.303 nan 8.270 nan 0.000 0.418 1281 F N 2.140 122.052 119.950 -0.064 0.000 2.427 1281 F HA 0.498 5.027 4.527 0.002 0.000 0.346 1281 F C -0.012 175.680 175.800 -0.180 0.000 1.120 1281 F CA -0.584 57.274 58.000 -0.237 0.000 1.033 1281 F CB 0.935 39.451 39.000 -0.806 0.000 1.126 1281 F HN 0.267 nan 8.300 nan 0.000 0.462 1282 I N 6.221 126.878 120.570 0.145 0.000 2.328 1282 I HA 0.342 4.513 4.170 0.002 0.000 0.287 1282 I C -2.481 173.961 176.117 0.541 0.000 1.012 1282 I CA -1.941 59.397 61.300 0.063 0.000 1.195 1282 I CB 1.389 39.194 38.000 -0.325 0.000 1.350 1282 I HN 0.279 nan 8.210 nan 0.000 0.464 1283 P HA 0.281 nan 4.420 nan 0.000 0.289 1283 P C -1.017 176.684 177.300 0.668 0.000 1.293 1283 P CA -0.905 62.563 63.100 0.614 0.000 0.897 1283 P CB 1.433 33.439 31.700 0.510 0.000 1.166 1284 K N 1.476 122.078 120.400 0.337 0.000 2.485 1284 K HA 0.102 4.423 4.320 0.002 0.000 0.277 1284 K C 0.137 176.886 176.600 0.248 0.000 0.990 1284 K CA 0.977 57.316 56.287 0.087 0.000 0.994 1284 K CB -0.075 32.328 32.500 -0.161 0.000 0.906 1284 K HN 0.582 nan 8.250 nan 0.000 0.488 1285 D N 1.362 121.925 120.400 0.272 0.000 2.977 1285 D HA -0.001 4.640 4.640 0.002 0.000 0.220 1285 D C 0.650 177.000 176.300 0.083 0.000 1.267 1285 D CA -0.178 53.860 54.000 0.064 0.000 0.884 1285 D CB 1.161 41.754 40.800 -0.345 0.000 1.667 1285 D HN 0.560 nan 8.370 nan 0.000 0.536 1286 E N 1.694 121.939 120.200 0.076 0.000 2.267 1286 E HA -0.123 4.228 4.350 0.002 0.000 0.197 1286 E C 1.431 178.146 176.600 0.191 0.000 0.998 1286 E CA 1.143 57.623 56.400 0.133 0.000 0.830 1286 E CB -0.149 29.622 29.700 0.118 0.000 0.751 1286 E HN 0.419 nan 8.360 nan 0.000 0.491 1287 G N 0.226 109.114 108.800 0.147 0.000 2.744 1287 G HA2 -0.153 3.808 3.960 0.002 0.000 0.211 1287 G HA3 -0.153 3.808 3.960 0.002 0.000 0.211 1287 G C -0.347 174.489 174.900 -0.106 0.000 1.143 1287 G CA -0.196 44.925 45.100 0.034 0.000 0.788 1287 G HN 0.315 nan 8.290 nan 0.000 0.534 1288 W N 2.308 123.465 121.300 -0.239 0.000 2.687 1288 W HA 0.485 5.146 4.660 0.001 0.000 0.328 1288 W C -0.921 175.578 176.519 -0.034 0.000 1.012 1288 W CA -0.684 56.529 57.345 -0.220 0.000 1.262 1288 W CB 1.483 30.791 29.460 -0.253 0.000 1.331 1288 W HN 0.017 nan 8.180 nan 0.000 0.433 1289 T N 2.136 116.387 114.554 -0.505 0.000 2.863 1289 T HA 0.736 5.087 4.350 0.002 0.000 0.285 1289 T C -0.507 173.944 174.700 -0.413 0.000 1.009 1289 T CA -0.506 61.468 62.100 -0.209 0.000 0.989 1289 T CB 2.883 71.674 68.868 -0.127 0.000 1.004 1289 T HN 0.561 nan 8.240 nan 0.000 0.455 1290 E N 0.000 120.163 120.200 -0.061 0.000 2.725 1290 E HA 0.000 4.351 4.350 0.002 0.000 0.291 1290 E CA 0.000 56.429 56.400 0.049 0.000 0.976 1290 E CB 0.000 29.793 29.700 0.155 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440